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 2a5u_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMA KXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXCDRKFRV KIRGIDIPVL PRNTDLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXLLYY VNLLLIDHRF LLRRGEYVLH MWQISGXXXX DATA SEQUENCE XXXFNADKLT SATNPDKENS MSISILLDNX XHPIAXXXXX XXXXXXXXXX DATA SEQUENCE RAEMPNQLRK QLEAIIATDP LNPLTAEDKE LLWHFRYESL KHPKAYPKLF DATA SEQUENCE SSVKWGQQEI VAKTYQLLAR REVWDQSALD VGLTMQLLDC NFSDENVRAI DATA SEQUENCE AVQKLESLED DDVLHYLLQL VQAVKFEPYH DSALARFLLK RGLRNKRIGH DATA SEQUENCE FLFWFLRSEI AQSRHYQQRF AVILEAYLRG CGTAMLHDFT QQVQVIEMLQ DATA SEQUENCE KVTLDIKSLS AEKYDVSSQV ISQLKQKLEN LQNSQLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE STVGNTGXFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHXXXXXX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVL 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 144 S HA 0.000 nan 4.470 nan 0.000 0.327 144 S C 0.000 174.609 174.600 0.014 0.000 1.055 144 S CA 0.000 58.206 58.200 0.009 0.000 1.107 144 S CB 0.000 63.202 63.200 0.004 0.000 0.593 145 E N 1.879 122.085 120.200 0.010 0.000 2.284 145 E HA -0.161 4.192 4.350 0.005 0.000 0.200 145 E C 1.186 177.798 176.600 0.021 0.000 1.008 145 E CA 2.152 58.560 56.400 0.013 0.000 0.829 145 E CB 0.187 29.892 29.700 0.008 0.000 0.744 145 E HN 0.544 nan 8.360 nan 0.000 0.491 146 E N -1.569 118.644 120.200 0.022 0.000 2.474 146 E HA 0.088 4.440 4.350 0.005 0.000 0.215 146 E C 1.562 178.198 176.600 0.059 0.000 0.867 146 E CA 0.443 56.863 56.400 0.035 0.000 1.135 146 E CB 0.067 29.776 29.700 0.014 0.000 1.147 146 E HN 0.179 nan 8.360 nan 0.000 0.534 147 S N 0.723 116.448 115.700 0.042 0.000 2.368 147 S HA -0.127 4.345 4.470 0.005 0.000 0.224 147 S C 1.764 176.428 174.600 0.106 0.000 1.029 147 S CA 1.264 59.502 58.200 0.063 0.000 0.988 147 S CB 0.049 63.266 63.200 0.028 0.000 0.838 147 S HN 0.258 nan 8.310 nan 0.000 0.462 148 Q N 0.282 120.122 119.800 0.067 0.000 2.297 148 Q HA 0.105 4.448 4.340 0.005 0.000 0.204 148 Q C 2.343 178.382 176.000 0.065 0.000 0.962 148 Q CA 1.086 56.922 55.803 0.056 0.000 0.879 148 Q CB -0.259 28.497 28.738 0.031 0.000 0.947 148 Q HN 0.657 nan 8.270 nan 0.000 0.462 149 A N 0.509 123.379 122.820 0.083 0.000 1.929 149 A HA -0.149 4.174 4.320 0.005 0.000 0.216 149 A C 1.793 179.455 177.584 0.131 0.000 1.176 149 A CA 0.744 52.832 52.037 0.085 0.000 0.628 149 A CB -0.574 18.474 19.000 0.080 0.000 0.816 149 A HN 0.404 nan 8.150 nan 0.000 0.444 150 F N 0.684 120.635 119.950 0.000 0.000 2.134 150 F HA -0.178 4.351 4.527 0.004 0.000 0.299 150 F C 2.363 178.165 175.800 0.003 0.000 1.097 150 F CA 2.141 60.143 58.000 0.003 0.000 1.264 150 F CB -0.450 38.549 39.000 -0.001 0.000 1.001 150 F HN 0.297 nan 8.300 nan 0.000 0.479 151 Q N 0.725 120.549 119.800 0.039 0.000 2.135 151 Q HA -0.194 4.149 4.340 0.005 0.000 0.204 151 Q C 2.203 178.142 176.000 -0.101 0.000 0.981 151 Q CA 1.847 57.610 55.803 -0.066 0.000 0.856 151 Q CB -0.253 28.490 28.738 0.009 0.000 0.902 151 Q HN 0.424 nan 8.270 nan 0.000 0.425 152 R N -0.476 119.992 120.500 -0.054 0.000 2.152 152 R HA -0.140 4.203 4.340 0.005 0.000 0.232 152 R C 2.307 178.561 176.300 -0.076 0.000 1.117 152 R CA 1.379 57.449 56.100 -0.050 0.000 0.981 152 R CB -0.245 30.045 30.300 -0.017 0.000 0.870 152 R HN 0.442 nan 8.270 nan 0.000 0.451 153 Q N 1.224 120.952 119.800 -0.120 0.000 1.941 153 Q HA -0.122 4.221 4.340 0.005 0.000 0.201 153 Q C 2.105 177.994 176.000 -0.184 0.000 0.982 153 Q CA 1.311 57.028 55.803 -0.143 0.000 0.839 153 Q CB -0.053 28.568 28.738 -0.195 0.000 0.904 153 Q HN 0.309 nan 8.270 nan 0.000 0.427 154 L N 0.470 121.495 121.223 -0.330 0.000 2.137 154 L HA -0.241 4.101 4.340 0.005 0.000 0.213 154 L C 2.502 179.292 176.870 -0.132 0.000 1.085 154 L CA 1.621 56.306 54.840 -0.257 0.000 0.760 154 L CB -0.816 41.045 42.059 -0.330 0.000 0.893 154 L HN 0.364 nan 8.230 nan 0.000 0.434 155 T N -0.218 114.266 114.554 -0.116 0.000 2.777 155 T HA -0.113 4.240 4.350 0.005 0.000 0.266 155 T C 2.044 176.714 174.700 -0.051 0.000 1.040 155 T CA 1.287 63.342 62.100 -0.075 0.000 1.141 155 T CB -0.145 68.676 68.868 -0.077 0.000 0.868 155 T HN 0.475 nan 8.240 nan 0.000 0.444 156 A N 1.018 123.811 122.820 -0.046 0.000 1.898 156 A HA 0.061 4.383 4.320 0.005 0.000 0.216 156 A C 2.301 179.885 177.584 -0.000 0.000 1.181 156 A CA 1.032 53.059 52.037 -0.017 0.000 0.620 156 A CB -0.814 18.181 19.000 -0.008 0.000 0.819 156 A HN 0.438 nan 8.150 nan 0.000 0.442 157 L N -0.530 120.692 121.223 -0.002 0.000 1.970 157 L HA -0.202 4.141 4.340 0.005 0.000 0.212 157 L C 2.516 179.366 176.870 -0.032 0.000 1.071 157 L CA 1.682 56.547 54.840 0.043 0.000 0.751 157 L CB -0.463 41.637 42.059 0.067 0.000 0.889 157 L HN 0.385 nan 8.230 nan 0.000 0.432 158 I N -0.520 120.007 120.570 -0.071 0.000 2.335 158 I HA -0.241 3.931 4.170 0.005 0.000 0.251 158 I C 1.726 177.799 176.117 -0.074 0.000 1.129 158 I CA 1.168 62.396 61.300 -0.120 0.000 1.402 158 I CB -0.620 37.350 38.000 -0.050 0.000 1.069 158 I HN 0.612 nan 8.210 nan 0.000 0.424 159 G N -0.169 108.620 108.800 -0.017 0.000 2.184 159 G HA2 -0.333 3.630 3.960 0.005 0.000 0.264 159 G HA3 -0.333 3.630 3.960 0.005 0.000 0.264 159 G C 0.020 174.989 174.900 0.116 0.000 0.975 159 G CA 0.337 45.455 45.100 0.030 0.000 0.642 159 G HN 0.410 nan 8.290 nan 0.000 0.536 160 Y N 0.040 120.312 120.300 -0.047 0.000 2.571 160 Y HA 0.572 5.125 4.550 0.005 0.000 0.341 160 Y C -1.500 174.377 175.900 -0.039 0.000 1.076 160 Y CA -1.336 56.744 58.100 -0.033 0.000 1.029 160 Y CB 1.947 40.391 38.460 -0.027 0.000 1.308 160 Y HN 0.002 nan 8.280 nan 0.000 0.461 161 D N 3.733 123.707 120.400 -0.711 0.000 2.456 161 D HA 0.178 4.820 4.640 0.005 0.000 0.219 161 D C 1.114 177.231 176.300 -0.305 0.000 1.126 161 D CA 0.149 53.896 54.000 -0.421 0.000 0.890 161 D CB 1.280 41.845 40.800 -0.392 0.000 1.025 161 D HN 0.590 nan 8.370 nan 0.000 0.511 162 V N 1.907 121.803 119.914 -0.029 0.000 2.759 162 V HA -0.127 3.996 4.120 0.005 0.000 0.256 162 V C 1.496 177.589 176.094 -0.001 0.000 1.080 162 V CA 1.657 63.996 62.300 0.064 0.000 1.101 162 V CB -1.281 30.577 31.823 0.058 0.000 0.698 162 V HN 0.542 nan 8.190 nan 0.000 0.477 163 T N -1.053 113.475 114.554 -0.043 0.000 3.500 163 T HA 0.193 4.546 4.350 0.005 0.000 0.244 163 T C 0.176 174.844 174.700 -0.052 0.000 0.962 163 T CA 0.071 62.149 62.100 -0.036 0.000 0.932 163 T CB -0.808 68.041 68.868 -0.033 0.000 1.096 163 T HN 0.675 nan 8.240 nan 0.000 0.617 164 D N 1.173 121.535 120.400 -0.063 0.000 2.350 164 D HA 0.340 4.982 4.640 0.005 0.000 0.245 164 D C 0.472 176.759 176.300 -0.021 0.000 1.036 164 D CA -0.697 53.263 54.000 -0.067 0.000 0.848 164 D CB 2.554 43.273 40.800 -0.136 0.000 1.307 164 D HN 0.152 nan 8.370 nan 0.000 0.469 165 V N 0.980 120.885 119.914 -0.015 0.000 3.199 165 V HA 0.161 4.284 4.120 0.005 0.000 0.331 165 V C 1.563 177.658 176.094 0.003 0.000 1.446 165 V CA 0.240 62.541 62.300 0.001 0.000 1.120 165 V CB 0.073 31.900 31.823 0.006 0.000 1.051 165 V HN 0.449 nan 8.190 nan 0.000 0.495 166 S N 2.277 117.973 115.700 -0.007 0.000 2.343 166 S HA -0.161 4.312 4.470 0.005 0.000 0.219 166 S C 1.378 175.983 174.600 0.009 0.000 1.033 166 S CA 2.099 60.295 58.200 -0.007 0.000 1.014 166 S CB -0.507 62.678 63.200 -0.025 0.000 0.915 166 S HN 0.719 nan 8.310 nan 0.000 0.435 167 N N 1.261 119.970 118.700 0.015 0.000 3.298 167 N HA 0.350 5.093 4.740 0.005 0.000 0.292 167 N C -1.355 174.171 175.510 0.026 0.000 1.271 167 N CA -0.089 52.977 53.050 0.025 0.000 1.184 167 N CB 0.115 38.617 38.487 0.024 0.000 1.452 167 N HN 0.192 nan 8.380 nan 0.000 0.534 168 V N 1.902 121.830 119.914 0.024 0.000 3.178 168 V HA 0.313 4.436 4.120 0.005 0.000 0.302 168 V C -0.168 175.937 176.094 0.020 0.000 1.262 168 V CA -0.759 61.520 62.300 -0.035 0.000 1.030 168 V CB 2.207 34.010 31.823 -0.035 0.000 1.074 168 V HN 0.675 nan 8.190 nan 0.000 0.438 169 H N 1.004 120.141 119.070 0.112 0.000 2.885 169 H HA 0.433 4.992 4.556 0.004 0.000 0.254 169 H C -0.525 174.903 175.328 0.167 0.000 1.185 169 H CA 0.107 56.236 56.048 0.134 0.000 1.029 169 H CB 1.055 30.951 29.762 0.224 0.000 1.743 169 H HN 0.761 nan 8.280 nan 0.000 0.632 170 D N 1.100 121.527 120.400 0.045 0.000 3.182 170 D HA -0.061 4.581 4.640 0.005 0.000 0.352 170 D C -0.927 175.423 176.300 0.084 0.000 1.421 170 D CA -0.211 53.875 54.000 0.143 0.000 0.912 170 D CB 0.656 41.616 40.800 0.267 0.000 1.461 170 D HN 0.114 nan 8.370 nan 0.000 0.548 171 D N -1.020 119.468 120.400 0.147 0.000 2.696 171 D HA 0.090 4.733 4.640 0.005 0.000 0.269 171 D C 0.780 177.077 176.300 -0.006 0.000 1.319 171 D CA -0.268 53.797 54.000 0.108 0.000 0.826 171 D CB 0.256 41.157 40.800 0.168 0.000 1.086 171 D HN 0.541 nan 8.370 nan 0.000 0.481 172 E N 0.471 120.534 120.200 -0.230 0.000 2.110 172 E HA -0.136 4.217 4.350 0.005 0.000 0.193 172 E C 1.680 178.252 176.600 -0.047 0.000 0.988 172 E CA 0.762 56.816 56.400 -0.576 0.000 0.804 172 E CB 0.123 29.648 29.700 -0.293 0.000 0.745 172 E HN 0.343 nan 8.360 nan 0.000 0.458 173 L N 0.878 122.100 121.223 -0.003 0.000 1.961 173 L HA -0.204 4.139 4.340 0.005 0.000 0.210 173 L C 2.621 179.495 176.870 0.007 0.000 1.072 173 L CA 1.178 55.978 54.840 -0.067 0.000 0.749 173 L CB -0.548 41.432 42.059 -0.132 0.000 0.889 173 L HN 0.100 nan 8.230 nan 0.000 0.432 174 E N -0.047 120.176 120.200 0.039 0.000 2.097 174 E HA -0.279 4.074 4.350 0.005 0.000 0.196 174 E C 2.027 178.691 176.600 0.107 0.000 1.000 174 E CA 1.460 57.900 56.400 0.067 0.000 0.804 174 E CB -0.656 29.095 29.700 0.085 0.000 0.740 174 E HN 0.359 nan 8.360 nan 0.000 0.454 175 F N 2.037 121.986 119.950 -0.000 0.000 2.161 175 F HA -0.199 4.331 4.527 0.004 0.000 0.300 175 F C 2.313 178.127 175.800 0.024 0.000 1.089 175 F CA 1.714 59.735 58.000 0.035 0.000 1.282 175 F CB -0.325 38.719 39.000 0.073 0.000 1.010 175 F HN -0.051 nan 8.300 nan 0.000 0.485 176 T N 0.242 114.856 114.554 0.100 0.000 2.777 176 T HA -0.142 4.210 4.350 0.005 0.000 0.266 176 T C 2.054 176.740 174.700 -0.024 0.000 1.040 176 T CA 1.403 63.526 62.100 0.037 0.000 1.141 176 T CB -0.205 68.711 68.868 0.080 0.000 0.868 176 T HN 0.239 nan 8.240 nan 0.000 0.444 177 R N 0.666 121.155 120.500 -0.019 0.000 2.070 177 R HA -0.007 4.336 4.340 0.005 0.000 0.233 177 R C 2.698 178.966 176.300 -0.054 0.000 1.137 177 R CA 1.277 57.364 56.100 -0.023 0.000 0.945 177 R CB -0.264 30.030 30.300 -0.009 0.000 0.845 177 R HN 0.119 nan 8.270 nan 0.000 0.430 178 R N 0.314 120.763 120.500 -0.085 0.000 2.096 178 R HA -0.125 4.218 4.340 0.005 0.000 0.240 178 R C 2.199 178.383 176.300 -0.193 0.000 1.139 178 R CA 2.002 58.016 56.100 -0.142 0.000 0.952 178 R CB -0.951 29.222 30.300 -0.211 0.000 0.854 178 R HN 0.393 nan 8.270 nan 0.000 0.436 179 G N -0.823 107.823 108.800 -0.257 0.000 2.484 179 G HA2 -0.110 3.853 3.960 0.005 0.000 0.218 179 G HA3 -0.110 3.853 3.960 0.005 0.000 0.218 179 G C 1.268 176.115 174.900 -0.088 0.000 1.130 179 G CA 0.392 45.364 45.100 -0.214 0.000 0.784 179 G HN 0.289 nan 8.290 nan 0.000 0.543 180 L N 0.302 121.494 121.223 -0.052 0.000 2.341 180 L HA 0.045 4.388 4.340 0.005 0.000 0.214 180 L C 2.779 179.640 176.870 -0.016 0.000 1.115 180 L CA -0.154 54.679 54.840 -0.013 0.000 0.820 180 L CB -0.179 41.885 42.059 0.008 0.000 0.944 180 L HN 0.017 nan 8.230 nan 0.000 0.452 181 V N 0.154 120.049 119.914 -0.032 0.000 2.317 181 V HA -0.373 3.749 4.120 0.005 0.000 0.251 181 V C 2.564 178.644 176.094 -0.025 0.000 1.065 181 V CA 2.564 64.848 62.300 -0.027 0.000 1.049 181 V CB -0.766 31.036 31.823 -0.035 0.000 0.651 181 V HN 0.519 nan 8.190 nan 0.000 0.450 182 T N -0.171 114.365 114.554 -0.029 0.000 2.643 182 T HA -0.121 4.232 4.350 0.005 0.000 0.264 182 T C 0.050 174.744 174.700 -0.010 0.000 1.045 182 T CA 2.066 64.153 62.100 -0.021 0.000 1.155 182 T CB -1.274 67.581 68.868 -0.022 0.000 0.863 182 T HN 0.440 nan 8.240 nan 0.000 0.420 183 P HA -0.089 nan 4.420 nan 0.000 0.216 183 P C 1.532 178.835 177.300 0.005 0.000 1.153 183 P CA 1.160 64.268 63.100 0.013 0.000 0.858 183 P CB -0.042 31.675 31.700 0.028 0.000 0.789 184 R N -0.944 119.555 120.500 -0.001 0.000 2.080 184 R HA -0.169 4.173 4.340 0.005 0.000 0.236 184 R C 2.100 178.383 176.300 -0.029 0.000 1.137 184 R CA 2.014 58.107 56.100 -0.013 0.000 0.943 184 R CB -0.857 29.434 30.300 -0.015 0.000 0.846 184 R HN -0.004 nan 8.270 nan 0.000 0.431 185 M N 0.510 120.095 119.600 -0.026 0.000 2.080 185 M HA -0.092 4.391 4.480 0.005 0.000 0.260 185 M C 2.264 178.544 176.300 -0.032 0.000 1.068 185 M CA 2.176 57.457 55.300 -0.032 0.000 1.109 185 M CB -0.495 32.089 32.600 -0.026 0.000 1.342 185 M HN 0.385 nan 8.290 nan 0.000 0.405 186 A N -0.982 121.825 122.820 -0.021 0.000 1.883 186 A HA -0.241 4.081 4.320 0.005 0.000 0.217 186 A C 2.114 179.682 177.584 -0.027 0.000 1.186 186 A CA 2.250 54.277 52.037 -0.017 0.000 0.624 186 A CB -0.859 18.140 19.000 -0.002 0.000 0.822 186 A HN 0.494 nan 8.150 nan 0.000 0.444 187 E N -0.296 119.886 120.200 -0.030 0.000 2.047 187 E HA -0.097 4.256 4.350 0.005 0.000 0.191 187 E C 1.920 178.464 176.600 -0.094 0.000 0.987 187 E CA 1.428 57.800 56.400 -0.047 0.000 0.799 187 E CB -0.376 29.303 29.700 -0.034 0.000 0.752 187 E HN 0.259 nan 8.360 nan 0.000 0.449 188 V N 1.121 120.970 119.914 -0.108 0.000 2.287 188 V HA -0.318 3.805 4.120 0.005 0.000 0.248 188 V C 2.391 178.406 176.094 -0.133 0.000 1.053 188 V CA 2.012 64.218 62.300 -0.157 0.000 1.027 188 V CB -1.188 30.559 31.823 -0.126 0.000 0.646 188 V HN 0.433 nan 8.190 nan 0.000 0.447 189 A N -0.317 122.451 122.820 -0.085 0.000 1.877 189 A HA -0.259 4.064 4.320 0.005 0.000 0.216 189 A C 2.593 180.140 177.584 -0.061 0.000 1.186 189 A CA 2.430 54.428 52.037 -0.064 0.000 0.620 189 A CB -0.943 18.030 19.000 -0.044 0.000 0.822 189 A HN 0.513 nan 8.150 nan 0.000 0.443 190 S N 0.245 115.912 115.700 -0.056 0.000 2.356 190 S HA -0.178 4.294 4.470 0.005 0.000 0.223 190 S C 1.285 175.853 174.600 -0.054 0.000 1.032 190 S CA 0.977 59.151 58.200 -0.042 0.000 1.005 190 S CB -0.554 62.630 63.200 -0.027 0.000 0.867 190 S HN 0.722 nan 8.310 nan 0.000 0.449 191 R N 1.680 122.122 120.500 -0.096 0.000 2.538 191 R HA 0.160 4.503 4.340 0.005 0.000 0.282 191 R C -0.598 175.652 176.300 -0.084 0.000 1.009 191 R CA 0.185 56.216 56.100 -0.115 0.000 1.063 191 R CB -0.176 29.957 30.300 -0.278 0.000 0.945 191 R HN 0.226 nan 8.270 nan 0.000 0.414 192 D N 4.553 124.942 120.400 -0.018 0.000 2.277 192 D HA 0.138 4.781 4.640 0.005 0.000 0.249 192 D C -1.435 174.898 176.300 0.055 0.000 1.134 192 D CA -2.521 51.485 54.000 0.010 0.000 0.863 192 D CB 1.378 42.191 40.800 0.022 0.000 1.143 192 D HN 0.406 nan 8.370 nan 0.000 0.458 193 P HA -0.205 nan 4.420 nan 0.000 0.217 193 P C 1.229 178.562 177.300 0.054 0.000 1.150 193 P CA 0.976 64.126 63.100 0.084 0.000 0.832 193 P CB 0.195 31.918 31.700 0.039 0.000 0.787 194 K N 0.196 120.609 120.400 0.022 0.000 2.113 194 K HA -0.131 4.192 4.320 0.005 0.000 0.208 194 K C 1.952 178.542 176.600 -0.018 0.000 1.047 194 K CA 1.385 57.668 56.287 -0.006 0.000 0.928 194 K CB -0.280 32.221 32.500 0.001 0.000 0.716 194 K HN 0.202 nan 8.250 nan 0.000 0.446 195 L N -1.146 120.091 121.223 0.023 0.000 2.575 195 L HA 0.035 4.378 4.340 0.005 0.000 0.228 195 L C 2.066 178.966 176.870 0.051 0.000 1.075 195 L CA -0.143 54.709 54.840 0.019 0.000 0.867 195 L CB -0.206 41.880 42.059 0.046 0.000 1.097 195 L HN 0.102 nan 8.230 nan 0.000 0.485 196 Y N 1.715 121.998 120.300 -0.029 0.000 2.242 196 Y HA -0.124 4.429 4.550 0.004 0.000 0.291 196 Y C 2.392 178.287 175.900 -0.009 0.000 1.137 196 Y CA 1.170 59.267 58.100 -0.004 0.000 1.181 196 Y CB -0.057 38.401 38.460 -0.004 0.000 0.989 196 Y HN 0.082 nan 8.280 nan 0.000 0.527 197 A N -0.663 122.089 122.820 -0.113 0.000 2.168 197 A HA -0.019 4.304 4.320 0.005 0.000 0.215 197 A C 1.890 179.257 177.584 -0.362 0.000 1.152 197 A CA 1.428 53.327 52.037 -0.230 0.000 0.716 197 A CB -0.569 18.341 19.000 -0.149 0.000 0.794 197 A HN 0.580 nan 8.150 nan 0.000 0.465 198 M N -0.753 118.586 119.600 -0.435 0.000 2.300 198 M HA 0.111 4.594 4.480 0.005 0.000 0.313 198 M C -0.075 175.687 176.300 -0.896 0.000 0.988 198 M CA 0.005 54.804 55.300 -0.834 0.000 1.012 198 M CB 0.338 32.467 32.600 -0.785 0.000 1.586 198 M HN 0.687 nan 8.290 nan 0.000 0.562 199 H N -1.398 117.586 119.070 -0.142 0.000 2.445 199 H HA -0.105 4.453 4.556 0.004 0.000 0.322 199 H C -2.554 172.813 175.328 0.066 0.000 1.053 199 H CA -0.305 55.712 56.048 -0.052 0.000 1.109 199 H CB -2.357 27.346 29.762 -0.099 0.000 1.546 199 H HN 0.164 nan 8.280 nan 0.000 0.397 200 P HA -0.081 nan 4.420 nan 0.000 0.262 200 P C 0.086 177.493 177.300 0.178 0.000 1.182 200 P CA 0.275 63.444 63.100 0.115 0.000 0.761 200 P CB 0.290 32.042 31.700 0.087 0.000 0.795 201 W N 6.961 128.262 121.300 0.002 0.000 2.278 201 W HA 0.470 5.133 4.660 0.004 0.000 0.317 201 W C -1.340 175.095 176.519 -0.139 0.000 1.030 201 W CA -0.851 56.495 57.345 0.001 0.000 1.334 201 W CB 0.278 29.804 29.460 0.110 0.000 1.215 201 W HN 0.210 nan 8.180 nan 0.000 0.405 202 V N 2.879 122.821 119.914 0.048 0.000 3.181 202 V HA 0.866 4.988 4.120 0.005 0.000 0.308 202 V C -0.807 175.263 176.094 -0.041 0.000 1.214 202 V CA -0.948 61.213 62.300 -0.231 0.000 1.053 202 V CB 1.434 32.931 31.823 -0.545 0.000 1.069 202 V HN 0.413 nan 8.190 nan 0.000 0.441 203 T N -0.389 114.117 114.554 -0.079 0.000 2.903 203 T HA 0.558 4.910 4.350 0.005 0.000 0.299 203 T C 0.640 175.328 174.700 -0.019 0.000 1.093 203 T CA 0.284 62.378 62.100 -0.010 0.000 1.002 203 T CB 1.914 70.781 68.868 -0.002 0.000 1.127 203 T HN 1.564 nan 8.240 nan 0.000 0.488 204 S N 1.954 117.654 115.700 0.001 0.000 2.540 204 S HA 0.316 4.788 4.470 0.005 0.000 0.218 204 S C 0.492 175.095 174.600 0.005 0.000 0.977 204 S CA -0.392 57.810 58.200 0.005 0.000 0.918 204 S CB -0.280 62.926 63.200 0.011 0.000 0.806 204 S HN 0.672 nan 8.310 nan 0.000 0.496 205 K N 3.116 123.515 120.400 -0.002 0.000 2.336 205 K HA 0.237 4.559 4.320 0.005 0.000 0.262 205 K C -2.453 174.149 176.600 0.003 0.000 0.992 205 K CA -1.379 54.905 56.287 -0.005 0.000 0.927 205 K CB -0.131 32.358 32.500 -0.019 0.000 0.956 205 K HN 0.240 nan 8.250 nan 0.000 0.495 206 P HA -0.022 nan 4.420 nan 0.000 0.275 206 P C -0.519 176.799 177.300 0.030 0.000 1.227 206 P CA -0.465 62.656 63.100 0.036 0.000 0.781 206 P CB 0.577 32.297 31.700 0.032 0.000 0.906 207 L N 5.578 126.848 121.223 0.078 0.000 2.534 207 L HA 0.125 4.468 4.340 0.005 0.000 0.271 207 L C -1.788 175.102 176.870 0.034 0.000 1.178 207 L CA -1.304 53.545 54.840 0.016 0.000 0.907 207 L CB -0.392 41.662 42.059 -0.008 0.000 1.164 207 L HN 0.339 nan 8.230 nan 0.000 0.482 208 P HA -0.051 nan 4.420 nan 0.000 0.267 208 P C 0.233 177.435 177.300 -0.164 0.000 1.195 208 P CA 0.082 62.993 63.100 -0.316 0.000 0.773 208 P CB 0.556 31.736 31.700 -0.866 0.000 0.837 209 E N 0.710 120.846 120.200 -0.106 0.000 2.274 209 E HA -0.160 4.193 4.350 0.005 0.000 0.194 209 E C 1.167 177.829 176.600 0.104 0.000 0.996 209 E CA 1.112 57.545 56.400 0.055 0.000 0.840 209 E CB -0.431 29.291 29.700 0.036 0.000 0.772 209 E HN 0.645 nan 8.360 nan 0.000 0.491 210 Y N -1.283 119.074 120.300 0.095 0.000 2.470 210 Y HA 0.344 4.896 4.550 0.004 0.000 0.284 210 Y C 0.900 176.829 175.900 0.049 0.000 1.188 210 Y CA -0.078 58.056 58.100 0.058 0.000 1.269 210 Y CB -0.129 38.334 38.460 0.005 0.000 1.094 210 Y HN -0.146 nan 8.280 nan 0.000 0.518 211 L N -0.417 120.790 121.223 -0.026 0.000 3.186 211 L HA 0.256 4.598 4.340 0.005 0.000 0.292 211 L C -0.373 176.363 176.870 -0.224 0.000 1.303 211 L CA 0.062 54.842 54.840 -0.100 0.000 0.940 211 L CB 0.137 42.043 42.059 -0.254 0.000 1.358 211 L HN 0.342 nan 8.230 nan 0.000 0.581 212 W N -0.209 121.059 121.300 -0.053 0.000 2.942 212 W HA 0.037 4.700 4.660 0.004 0.000 0.260 212 W C 2.374 178.867 176.519 -0.044 0.000 1.101 212 W CA -0.215 57.097 57.345 -0.056 0.000 1.436 212 W CB 0.561 29.991 29.460 -0.051 0.000 0.883 212 W HN 0.004 nan 8.180 nan 0.000 0.646 213 K N 1.341 121.847 120.400 0.178 0.000 2.160 213 K HA -0.209 4.113 4.320 0.005 0.000 0.206 213 K C 1.517 178.138 176.600 0.035 0.000 1.047 213 K CA 1.673 58.025 56.287 0.108 0.000 0.930 213 K CB -0.506 32.048 32.500 0.090 0.000 0.720 213 K HN 0.047 nan 8.250 nan 0.000 0.450 214 K N 1.778 122.163 120.400 -0.026 0.000 2.063 214 K HA -0.070 4.252 4.320 0.005 0.000 0.208 214 K C 1.230 177.723 176.600 -0.179 0.000 1.048 214 K CA 1.584 57.801 56.287 -0.117 0.000 0.928 214 K CB -0.211 32.184 32.500 -0.174 0.000 0.713 214 K HN 0.585 nan 8.250 nan 0.000 0.442 215 I N -3.082 117.401 120.570 -0.144 0.000 2.697 215 I HA 0.470 4.643 4.170 0.005 0.000 0.279 215 I C 0.110 176.283 176.117 0.095 0.000 1.171 215 I CA -0.497 60.727 61.300 -0.128 0.000 1.135 215 I CB 1.534 39.388 38.000 -0.243 0.000 1.445 215 I HN -0.094 nan 8.210 nan 0.000 0.541 216 A N 4.506 127.376 122.820 0.083 0.000 2.275 216 A HA 0.124 4.447 4.320 0.005 0.000 0.212 216 A C 1.111 178.760 177.584 0.109 0.000 1.201 216 A CA 0.123 52.235 52.037 0.126 0.000 0.843 216 A CB -0.329 18.726 19.000 0.091 0.000 0.873 216 A HN 0.802 nan 8.150 nan 0.000 0.492 217 N N -0.626 118.136 118.700 0.102 0.000 2.282 217 N HA -0.028 4.715 4.740 0.005 0.000 0.240 217 N C 0.133 175.713 175.510 0.117 0.000 1.182 217 N CA -0.093 53.023 53.050 0.112 0.000 0.874 217 N CB -0.537 38.037 38.487 0.144 0.000 1.126 217 N HN 0.201 nan 8.380 nan 0.000 0.516 218 N N 0.110 118.891 118.700 0.136 0.000 2.686 218 N HA -0.227 4.515 4.740 0.005 0.000 0.249 218 N C -1.301 174.271 175.510 0.103 0.000 1.082 218 N CA 0.675 53.813 53.050 0.147 0.000 0.725 218 N CB -1.548 37.019 38.487 0.132 0.000 1.009 218 N HN 0.577 nan 8.380 nan 0.000 0.545 219 C N 1.268 120.620 119.300 0.087 0.000 2.431 219 C HA 0.618 5.081 4.460 0.005 0.000 0.321 219 C C -0.066 174.948 174.990 0.040 0.000 1.202 219 C CA -1.081 58.014 59.018 0.129 0.000 1.398 219 C CB 0.408 28.300 27.740 0.255 0.000 2.047 219 C HN 0.227 nan 8.230 nan 0.000 0.465 220 I N 5.136 125.737 120.570 0.051 0.000 2.488 220 I HA 0.327 4.499 4.170 0.005 0.000 0.299 220 I C 0.236 176.516 176.117 0.271 0.000 0.984 220 I CA -0.389 60.886 61.300 -0.041 0.000 1.250 220 I CB 1.033 39.004 38.000 -0.049 0.000 1.389 220 I HN 0.706 nan 8.210 nan 0.000 0.488 221 F N 4.707 124.632 119.950 -0.042 0.000 2.975 221 F HA 0.361 4.891 4.527 0.005 0.000 0.311 221 F C 1.001 176.766 175.800 -0.057 0.000 1.239 221 F CA -0.620 57.356 58.000 -0.040 0.000 1.282 221 F CB 0.139 39.115 39.000 -0.039 0.000 1.071 221 F HN 0.223 nan 8.300 nan 0.000 0.516 222 I N 1.292 121.932 120.570 0.117 0.000 2.932 222 I HA -0.111 4.062 4.170 0.005 0.000 0.295 222 I C 0.322 176.449 176.117 0.018 0.000 1.227 222 I CA 0.324 61.646 61.300 0.036 0.000 1.429 222 I CB 0.642 38.653 38.000 0.017 0.000 1.339 222 I HN -0.061 nan 8.210 nan 0.000 0.589 223 V N 7.624 127.514 119.914 -0.040 0.000 2.361 223 V HA 0.249 4.371 4.120 0.005 0.000 0.252 223 V C 0.356 176.508 176.094 0.097 0.000 0.986 223 V CA -0.457 61.822 62.300 -0.036 0.000 1.033 223 V CB 0.009 31.685 31.823 -0.245 0.000 1.282 223 V HN 0.459 nan 8.190 nan 0.000 0.514 224 I N 3.152 123.751 120.570 0.048 0.000 2.978 224 I HA -0.059 4.113 4.170 0.005 0.000 0.293 224 I C 1.058 177.222 176.117 0.078 0.000 1.218 224 I CA 0.679 61.970 61.300 -0.015 0.000 1.393 224 I CB -0.204 37.620 38.000 -0.294 0.000 1.394 224 I HN 0.537 nan 8.210 nan 0.000 0.541 225 H N 6.130 125.186 119.070 -0.023 0.000 2.584 225 H HA 0.564 5.123 4.556 0.005 0.000 0.299 225 H C 0.788 176.131 175.328 0.025 0.000 1.548 225 H CA -0.245 55.826 56.048 0.038 0.000 1.544 225 H CB 0.735 30.540 29.762 0.071 0.000 1.732 225 H HN 0.465 nan 8.280 nan 0.000 0.813 226 R N -1.865 118.747 120.500 0.187 0.000 3.912 226 R HA 0.169 4.511 4.340 0.005 0.000 0.091 226 R C 0.552 176.927 176.300 0.124 0.000 0.508 226 R CA 0.636 56.819 56.100 0.139 0.000 0.423 226 R CB -0.305 30.083 30.300 0.146 0.000 0.532 226 R HN 0.539 nan 8.270 nan 0.000 0.334 227 S N -1.290 114.470 115.700 0.100 0.000 2.769 227 S HA 0.121 4.594 4.470 0.005 0.000 0.258 227 S C 0.900 175.537 174.600 0.062 0.000 1.080 227 S CA 0.757 59.005 58.200 0.080 0.000 0.943 227 S CB 1.373 64.615 63.200 0.071 0.000 0.893 227 S HN 0.606 nan 8.310 nan 0.000 0.490 228 T N 1.771 116.354 114.554 0.048 0.000 3.550 228 T HA 0.084 4.437 4.350 0.005 0.000 0.261 228 T C -0.069 174.632 174.700 0.001 0.000 0.990 228 T CA 0.914 63.029 62.100 0.026 0.000 1.142 228 T CB -0.422 68.460 68.868 0.023 0.000 1.173 228 T HN 0.364 nan 8.240 nan 0.000 0.405 229 T N 3.003 117.563 114.554 0.011 0.000 2.750 229 T HA 0.440 4.792 4.350 0.005 0.000 0.286 229 T C 0.288 174.981 174.700 -0.011 0.000 0.911 229 T CA -0.118 61.981 62.100 -0.001 0.000 1.130 229 T CB 0.265 69.140 68.868 0.011 0.000 0.873 229 T HN 0.413 nan 8.240 nan 0.000 0.536 230 S N 2.473 118.116 115.700 -0.094 0.000 3.315 230 S HA 0.255 4.728 4.470 0.005 0.000 0.195 230 S C 0.049 174.600 174.600 -0.080 0.000 1.394 230 S CA -0.986 57.088 58.200 -0.210 0.000 0.983 230 S CB 0.302 63.180 63.200 -0.537 0.000 1.370 230 S HN 0.764 nan 8.310 nan 0.000 0.491 231 Q N 2.134 121.965 119.800 0.052 0.000 2.300 231 Q HA 0.182 4.525 4.340 0.005 0.000 0.280 231 Q C -0.528 175.527 176.000 0.091 0.000 1.033 231 Q CA 0.667 56.521 55.803 0.084 0.000 0.903 231 Q CB 0.353 29.181 28.738 0.149 0.000 1.195 231 Q HN 0.519 nan 8.270 nan 0.000 0.386 232 T N 6.233 120.807 114.554 0.034 0.000 3.016 232 T HA 0.377 4.730 4.350 0.005 0.000 0.335 232 T C -0.120 174.600 174.700 0.033 0.000 1.176 232 T CA -0.499 61.612 62.100 0.019 0.000 0.987 232 T CB -0.272 68.576 68.868 -0.032 0.000 1.073 232 T HN 0.432 nan 8.240 nan 0.000 0.547 233 I N 2.420 123.043 120.570 0.088 0.000 2.882 233 I HA 0.247 4.419 4.170 0.005 0.000 0.286 233 I C 0.798 176.958 176.117 0.071 0.000 1.139 233 I CA -0.107 61.250 61.300 0.096 0.000 1.379 233 I CB 0.439 38.537 38.000 0.163 0.000 1.410 233 I HN 0.277 nan 8.210 nan 0.000 0.594 234 K N 3.390 123.831 120.400 0.068 0.000 2.323 234 K HA 0.686 5.008 4.320 0.005 0.000 0.259 234 K C -1.092 175.563 176.600 0.093 0.000 0.947 234 K CA -0.660 55.684 56.287 0.094 0.000 0.819 234 K CB 1.976 34.515 32.500 0.065 0.000 1.109 234 K HN 0.504 nan 8.250 nan 0.000 0.429 235 V N -0.914 119.060 119.914 0.101 0.000 3.126 235 V HA 0.650 4.772 4.120 0.005 0.000 0.314 235 V C -0.322 175.810 176.094 0.065 0.000 1.138 235 V CA -0.941 61.400 62.300 0.068 0.000 1.034 235 V CB 1.768 33.616 31.823 0.042 0.000 1.075 235 V HN 0.773 nan 8.190 nan 0.000 0.442 236 S N -0.058 115.672 115.700 0.050 0.000 2.565 236 S HA 0.593 5.065 4.470 0.005 0.000 0.290 236 S C -2.129 172.488 174.600 0.029 0.000 1.150 236 S CA -1.515 56.715 58.200 0.050 0.000 1.058 236 S CB 1.250 64.486 63.200 0.060 0.000 1.032 236 S HN 0.657 nan 8.310 nan 0.000 0.510 237 P HA -0.079 nan 4.420 nan 0.000 0.227 237 P C 0.181 177.501 177.300 0.032 0.000 1.145 237 P CA 1.142 64.232 63.100 -0.017 0.000 0.769 237 P CB 0.026 31.710 31.700 -0.027 0.000 0.769 238 D N -2.464 117.971 120.400 0.057 0.000 2.423 238 D HA 0.028 4.671 4.640 0.005 0.000 0.208 238 D C 0.364 176.697 176.300 0.056 0.000 1.068 238 D CA 0.143 54.183 54.000 0.067 0.000 0.860 238 D CB -0.027 40.818 40.800 0.075 0.000 0.992 238 D HN 0.147 nan 8.370 nan 0.000 0.504 239 D N 1.547 121.973 120.400 0.043 0.000 2.406 239 D HA 0.026 4.669 4.640 0.005 0.000 0.234 239 D C 0.308 176.628 176.300 0.034 0.000 1.196 239 D CA 0.948 54.969 54.000 0.035 0.000 0.881 239 D CB 0.921 41.737 40.800 0.027 0.000 1.205 239 D HN -0.134 nan 8.370 nan 0.000 0.453 240 T N 1.595 116.169 114.554 0.032 0.000 2.888 240 T HA 0.257 4.610 4.350 0.005 0.000 0.284 240 T C -1.658 173.044 174.700 0.003 0.000 1.017 240 T CA -1.460 60.663 62.100 0.038 0.000 1.022 240 T CB 1.916 70.817 68.868 0.054 0.000 1.013 240 T HN 0.060 nan 8.240 nan 0.000 0.465 241 P HA -0.147 nan 4.420 nan 0.000 0.219 241 P C 1.428 178.711 177.300 -0.027 0.000 1.145 241 P CA 0.967 64.031 63.100 -0.060 0.000 0.813 241 P CB 0.097 31.764 31.700 -0.054 0.000 0.771 242 G N -0.234 108.566 108.800 -0.001 0.000 2.456 242 G HA2 -0.118 3.845 3.960 0.005 0.000 0.213 242 G HA3 -0.118 3.845 3.960 0.005 0.000 0.213 242 G C 1.651 176.548 174.900 -0.005 0.000 1.215 242 G CA 0.742 45.839 45.100 -0.005 0.000 0.805 242 G HN 0.276 nan 8.290 nan 0.000 0.537 243 A N 1.065 123.890 122.820 0.010 0.000 1.948 243 A HA -0.089 4.234 4.320 0.005 0.000 0.220 243 A C 2.357 179.955 177.584 0.023 0.000 1.177 243 A CA 1.698 53.746 52.037 0.019 0.000 0.636 243 A CB -0.387 18.628 19.000 0.026 0.000 0.815 243 A HN 0.319 nan 8.150 nan 0.000 0.449 244 I N -0.294 120.282 120.570 0.011 0.000 2.163 244 I HA -0.208 3.964 4.170 0.005 0.000 0.243 244 I C 2.347 178.488 176.117 0.039 0.000 1.085 244 I CA 1.032 62.342 61.300 0.017 0.000 1.347 244 I CB -1.372 36.614 38.000 -0.025 0.000 1.044 244 I HN 0.225 nan 8.210 nan 0.000 0.408 245 L N 0.612 121.832 121.223 -0.004 0.000 2.261 245 L HA -0.219 4.123 4.340 0.005 0.000 0.216 245 L C 2.569 179.463 176.870 0.040 0.000 1.114 245 L CA 1.701 56.525 54.840 -0.028 0.000 0.777 245 L CB -0.825 41.156 42.059 -0.131 0.000 0.910 245 L HN 0.457 nan 8.230 nan 0.000 0.440 246 Q N -1.494 118.335 119.800 0.047 0.000 2.033 246 Q HA -0.130 4.213 4.340 0.005 0.000 0.196 246 Q C 1.991 178.072 176.000 0.135 0.000 0.970 246 Q CA 1.392 57.242 55.803 0.079 0.000 0.828 246 Q CB -0.186 28.580 28.738 0.045 0.000 0.895 246 Q HN 0.251 nan 8.270 nan 0.000 0.440 247 S N -0.490 115.283 115.700 0.122 0.000 2.711 247 S HA -0.084 4.389 4.470 0.005 0.000 0.237 247 S C 0.742 175.461 174.600 0.198 0.000 0.971 247 S CA 0.349 58.622 58.200 0.122 0.000 0.964 247 S CB -0.156 63.102 63.200 0.097 0.000 0.775 247 S HN 0.347 nan 8.310 nan 0.000 0.540 248 F N -0.327 119.681 119.950 0.097 0.000 2.537 248 F HA 0.388 4.917 4.527 0.005 0.000 0.275 248 F C 0.943 176.865 175.800 0.204 0.000 0.947 248 F CA -0.070 58.013 58.000 0.139 0.000 1.238 248 F CB -0.204 38.904 39.000 0.181 0.000 1.071 248 F HN 0.218 nan 8.300 nan 0.000 0.749 249 F N 0.820 120.760 119.950 -0.017 0.000 2.748 249 F HA 0.049 4.579 4.527 0.005 0.000 0.299 249 F C 2.238 177.964 175.800 -0.122 0.000 1.154 249 F CA 1.072 58.996 58.000 -0.127 0.000 1.446 249 F CB -1.086 37.894 39.000 -0.034 0.000 1.112 249 F HN -0.062 nan 8.300 nan 0.000 0.584 250 T N -1.303 113.299 114.554 0.081 0.000 3.057 250 T HA -0.002 4.351 4.350 0.005 0.000 0.254 250 T C 1.640 176.311 174.700 -0.049 0.000 1.094 250 T CA 0.681 62.793 62.100 0.020 0.000 1.088 250 T CB 0.097 68.990 68.868 0.043 0.000 0.934 250 T HN -0.094 nan 8.240 nan 0.000 0.497 251 K N 0.812 121.149 120.400 -0.105 0.000 2.414 251 K HA 0.367 4.690 4.320 0.005 0.000 0.204 251 K C -0.241 176.198 176.600 -0.268 0.000 1.026 251 K CA 0.091 56.288 56.287 -0.150 0.000 1.108 251 K CB 0.673 33.104 32.500 -0.114 0.000 0.855 251 K HN 0.291 nan 8.250 nan 0.000 0.517 252 M N -0.172 119.229 119.600 -0.331 0.000 2.277 252 M HA 0.454 4.937 4.480 0.005 0.000 0.282 252 M C -0.357 175.735 176.300 -0.346 0.000 1.074 252 M CA -0.417 54.630 55.300 -0.422 0.000 0.954 252 M CB 2.012 34.172 32.600 -0.734 0.000 1.672 252 M HN -0.032 nan 8.290 nan 0.000 0.471 253 A N 3.529 126.193 122.820 -0.260 0.000 2.597 253 A HA 0.674 4.996 4.320 0.005 0.000 0.191 253 A C -0.154 177.327 177.584 -0.172 0.000 1.336 253 A CA -0.149 51.769 52.037 -0.198 0.000 1.516 253 A CB 1.028 19.950 19.000 -0.129 0.000 1.849 253 A HN 0.646 nan 8.150 nan 0.000 0.640 270 F N 0.984 120.918 119.950 -0.027 0.000 2.520 270 F HA 0.643 5.173 4.527 0.004 0.000 0.322 270 F C -0.004 175.772 175.800 -0.039 0.000 1.103 270 F CA -0.670 57.316 58.000 -0.024 0.000 0.926 270 F CB 2.156 41.135 39.000 -0.036 0.000 1.154 270 F HN -0.102 nan 8.300 nan 0.000 0.453 271 V N 3.635 123.613 119.914 0.107 0.000 2.962 271 V HA 0.446 4.569 4.120 0.005 0.000 0.313 271 V C -0.677 175.449 176.094 0.054 0.000 1.099 271 V CA -0.960 61.388 62.300 0.080 0.000 0.971 271 V CB 2.753 34.645 31.823 0.115 0.000 1.028 271 V HN 0.511 nan 8.190 nan 0.000 0.430 272 L N 4.741 125.971 121.223 0.011 0.000 2.321 272 L HA 0.540 4.883 4.340 0.005 0.000 0.272 272 L C 0.466 177.275 176.870 -0.101 0.000 1.050 272 L CA -0.381 54.426 54.840 -0.055 0.000 0.893 272 L CB 0.502 42.506 42.059 -0.090 0.000 1.272 272 L HN 0.706 nan 8.230 nan 0.000 0.435 273 R N 1.891 122.275 120.500 -0.194 0.000 2.532 273 R HA 0.629 4.972 4.340 0.005 0.000 0.272 273 R C -0.576 175.532 176.300 -0.320 0.000 1.032 273 R CA -0.790 55.063 56.100 -0.411 0.000 1.089 273 R CB 1.188 30.978 30.300 -0.850 0.000 1.098 273 R HN 0.118 nan 8.270 nan 0.000 0.526 274 V N 1.704 121.384 119.914 -0.390 0.000 2.811 274 V HA 0.010 4.133 4.120 0.005 0.000 0.302 274 V C 0.338 176.262 176.094 -0.285 0.000 1.063 274 V CA -0.624 61.474 62.300 -0.337 0.000 1.088 274 V CB 0.933 32.343 31.823 -0.688 0.000 0.982 274 V HN 0.844 nan 8.190 nan 0.000 0.485 275 C N 4.134 123.331 119.300 -0.172 0.000 2.648 275 C HA 0.468 4.931 4.460 0.005 0.000 0.415 275 C C 1.565 176.462 174.990 -0.155 0.000 1.366 275 C CA 0.479 59.398 59.018 -0.164 0.000 1.756 275 C CB -0.867 26.760 27.740 -0.188 0.000 2.549 275 C HN 1.352 nan 8.230 nan 0.000 0.597 276 G N 3.455 112.164 108.800 -0.153 0.000 2.155 276 G HA2 -0.232 3.731 3.960 0.005 0.000 0.257 276 G HA3 -0.232 3.731 3.960 0.005 0.000 0.257 276 G C -0.059 174.737 174.900 -0.174 0.000 0.983 276 G CA 0.238 45.259 45.100 -0.133 0.000 0.676 276 G HN 0.815 nan 8.290 nan 0.000 0.528 277 R N -0.720 119.630 120.500 -0.250 0.000 2.651 277 R HA 0.334 4.676 4.340 0.005 0.000 0.278 277 R C -1.395 174.710 176.300 -0.324 0.000 1.010 277 R CA -0.914 55.004 56.100 -0.302 0.000 0.896 277 R CB 1.170 31.196 30.300 -0.456 0.000 1.211 277 R HN 0.048 nan 8.270 nan 0.000 0.456 278 D N 2.061 122.321 120.400 -0.235 0.000 2.801 278 D HA 0.042 4.684 4.640 0.005 0.000 0.232 278 D C -0.912 175.368 176.300 -0.033 0.000 1.128 278 D CA 0.242 54.154 54.000 -0.147 0.000 1.003 278 D CB 0.156 40.934 40.800 -0.037 0.000 1.110 278 D HN 0.303 nan 8.370 nan 0.000 0.477 279 E N 0.975 120.997 120.200 -0.297 0.000 2.241 279 E HA 0.267 4.619 4.350 0.005 0.000 0.263 279 E C -1.430 174.980 176.600 -0.316 0.000 0.882 279 E CA -0.672 55.626 56.400 -0.170 0.000 0.769 279 E CB 0.650 30.181 29.700 -0.281 0.000 1.185 279 E HN 0.065 nan 8.360 nan 0.000 0.415 280 Y N 2.906 123.101 120.300 -0.175 0.000 2.387 280 Y HA 0.441 4.993 4.550 0.004 0.000 0.330 280 Y C -0.147 175.757 175.900 0.006 0.000 1.133 280 Y CA -1.151 56.878 58.100 -0.119 0.000 1.152 280 Y CB 0.926 39.295 38.460 -0.151 0.000 1.215 280 Y HN 0.395 nan 8.280 nan 0.000 0.466 281 L N 4.002 125.278 121.223 0.089 0.000 2.701 281 L HA 0.368 4.710 4.340 0.005 0.000 0.237 281 L C 0.013 176.878 176.870 -0.008 0.000 1.204 281 L CA -0.308 54.489 54.840 -0.071 0.000 1.109 281 L CB -0.227 41.598 42.059 -0.390 0.000 1.409 281 L HN 0.534 nan 8.230 nan 0.000 0.428 282 V N -1.610 118.445 119.914 0.236 0.000 3.229 282 V HA 1.088 5.211 4.120 0.005 0.000 0.310 282 V C 0.335 176.602 176.094 0.288 0.000 1.206 282 V CA -0.276 62.129 62.300 0.175 0.000 1.051 282 V CB 1.538 33.418 31.823 0.096 0.000 1.183 282 V HN 0.709 nan 8.190 nan 0.000 0.466 283 G N 0.694 109.597 108.800 0.173 0.000 2.785 283 G HA2 -0.082 3.881 3.960 0.005 0.000 0.686 283 G HA3 -0.082 3.881 3.960 0.005 0.000 0.686 283 G C -0.526 174.478 174.900 0.173 0.000 1.155 283 G CA -0.177 45.018 45.100 0.157 0.000 0.760 283 G HN 1.103 nan 8.290 nan 0.000 0.624 284 E N 1.486 121.752 120.200 0.110 0.000 2.127 284 E HA 0.245 4.598 4.350 0.005 0.000 0.295 284 E C 0.491 177.159 176.600 0.112 0.000 1.155 284 E CA 0.791 57.250 56.400 0.098 0.000 1.201 284 E CB -0.251 29.487 29.700 0.064 0.000 1.083 284 E HN 0.532 nan 8.360 nan 0.000 0.472 285 T N 1.342 116.007 114.554 0.186 0.000 2.912 285 T HA 0.358 4.711 4.350 0.005 0.000 0.299 285 T C -2.632 172.244 174.700 0.294 0.000 1.052 285 T CA -1.701 60.515 62.100 0.194 0.000 0.996 285 T CB 2.166 71.097 68.868 0.104 0.000 1.070 285 T HN -0.033 nan 8.240 nan 0.000 0.465 286 P HA 0.106 nan 4.420 nan 0.000 0.266 286 P C 1.076 178.535 177.300 0.264 0.000 1.195 286 P CA -0.376 62.829 63.100 0.175 0.000 0.768 286 P CB 0.199 31.969 31.700 0.117 0.000 0.838 287 I N 2.189 122.832 120.570 0.123 0.000 3.010 287 I HA -0.178 3.995 4.170 0.005 0.000 0.271 287 I C 1.264 177.434 176.117 0.089 0.000 1.293 287 I CA 1.318 62.632 61.300 0.023 0.000 1.452 287 I CB -1.011 36.939 38.000 -0.083 0.000 1.082 287 I HN 0.267 nan 8.210 nan 0.000 0.484 288 K N -0.483 119.972 120.400 0.092 0.000 2.367 288 K HA 0.181 4.504 4.320 0.005 0.000 0.194 288 K C 0.801 177.434 176.600 0.056 0.000 1.027 288 K CA 0.223 56.514 56.287 0.007 0.000 1.075 288 K CB -0.229 32.230 32.500 -0.068 0.000 0.845 288 K HN 0.185 nan 8.250 nan 0.000 0.529 289 N N 0.602 119.399 118.700 0.162 0.000 2.270 289 N HA 0.107 4.849 4.740 0.005 0.000 0.198 289 N C -1.095 174.404 175.510 -0.019 0.000 1.117 289 N CA 0.098 53.182 53.050 0.057 0.000 0.845 289 N CB 0.163 38.657 38.487 0.012 0.000 0.980 289 N HN 0.073 nan 8.380 nan 0.000 0.486 290 F N 1.417 121.341 119.950 -0.043 0.000 2.405 290 F HA 0.258 4.788 4.527 0.005 0.000 0.355 290 F C 1.765 177.489 175.800 -0.127 0.000 1.121 290 F CA -0.737 57.236 58.000 -0.044 0.000 1.112 290 F CB 1.311 40.330 39.000 0.031 0.000 1.126 290 F HN -0.195 nan 8.300 nan 0.000 0.481 291 Q N 3.153 122.810 119.800 -0.237 0.000 2.197 291 Q HA -0.287 4.056 4.340 0.005 0.000 0.207 291 Q C 2.180 178.087 176.000 -0.155 0.000 0.984 291 Q CA 1.522 57.069 55.803 -0.427 0.000 0.869 291 Q CB -0.400 27.569 28.738 -1.281 0.000 0.906 291 Q HN 0.876 nan 8.270 nan 0.000 0.426 292 W N 0.851 122.041 121.300 -0.183 0.000 2.354 292 W HA -0.187 4.476 4.660 0.004 0.000 0.315 292 W C 1.868 178.415 176.519 0.047 0.000 1.206 292 W CA 1.298 58.630 57.345 -0.021 0.000 1.290 292 W CB 0.004 29.485 29.460 0.036 0.000 1.152 292 W HN -0.054 nan 8.180 nan 0.000 0.489 293 V N 1.616 121.588 119.914 0.097 0.000 2.380 293 V HA -0.325 3.797 4.120 0.005 0.000 0.251 293 V C 2.402 178.402 176.094 -0.156 0.000 1.063 293 V CA 2.157 64.423 62.300 -0.056 0.000 1.055 293 V CB -0.795 31.024 31.823 -0.007 0.000 0.657 293 V HN 0.210 nan 8.190 nan 0.000 0.455 294 R N -0.988 119.437 120.500 -0.124 0.000 2.193 294 R HA -0.085 4.257 4.340 0.005 0.000 0.213 294 R C 2.253 178.465 176.300 -0.145 0.000 1.055 294 R CA 1.164 57.176 56.100 -0.146 0.000 0.995 294 R CB -0.374 29.855 30.300 -0.118 0.000 0.893 294 R HN 0.705 nan 8.270 nan 0.000 0.459 295 H N 0.050 118.947 119.070 -0.287 0.000 2.395 295 H HA -0.044 4.515 4.556 0.004 0.000 0.299 295 H C 1.720 176.807 175.328 -0.401 0.000 1.070 295 H CA 1.598 57.440 56.048 -0.344 0.000 1.356 295 H CB -0.104 29.365 29.762 -0.489 0.000 1.401 295 H HN 0.104 nan 8.280 nan 0.000 0.524 296 C N 0.123 119.049 119.300 -0.623 0.000 2.475 296 C HA 0.064 4.527 4.460 0.005 0.000 0.279 296 C C 2.873 177.656 174.990 -0.344 0.000 1.322 296 C CA 0.424 59.111 59.018 -0.552 0.000 1.734 296 C CB -0.951 26.537 27.740 -0.421 0.000 2.005 296 C HN 0.537 nan 8.230 nan 0.000 0.495 297 L N 1.140 122.196 121.223 -0.278 0.000 2.093 297 L HA -0.132 4.211 4.340 0.005 0.000 0.208 297 L C 2.676 179.449 176.870 -0.163 0.000 1.085 297 L CA 1.499 56.210 54.840 -0.216 0.000 0.755 297 L CB -0.634 41.287 42.059 -0.230 0.000 0.904 297 L HN 0.380 nan 8.230 nan 0.000 0.435 298 K N -0.013 120.292 120.400 -0.158 0.000 2.288 298 K HA -0.078 4.245 4.320 0.005 0.000 0.201 298 K C 1.146 177.678 176.600 -0.113 0.000 1.048 298 K CA 0.882 57.123 56.287 -0.076 0.000 0.956 298 K CB 0.205 32.695 32.500 -0.016 0.000 0.746 298 K HN 0.303 nan 8.250 nan 0.000 0.461 299 N N -0.231 118.338 118.700 -0.219 0.000 2.214 299 N HA 0.060 4.803 4.740 0.005 0.000 0.214 299 N C 0.617 176.042 175.510 -0.143 0.000 1.132 299 N CA 0.778 53.710 53.050 -0.197 0.000 0.856 299 N CB 1.311 39.601 38.487 -0.328 0.000 1.020 299 N HN 0.406 nan 8.380 nan 0.000 0.509 300 G N 0.973 109.697 108.800 -0.126 0.000 2.270 300 G HA2 -0.298 3.664 3.960 0.005 0.000 0.268 300 G HA3 -0.298 3.664 3.960 0.005 0.000 0.268 300 G C 0.238 175.093 174.900 -0.075 0.000 0.982 300 G CA 0.385 45.436 45.100 -0.081 0.000 0.628 300 G HN 0.317 nan 8.290 nan 0.000 0.544 301 E N 1.270 121.397 120.200 -0.121 0.000 2.422 301 E HA 0.222 4.575 4.350 0.005 0.000 0.260 301 E C 0.543 177.122 176.600 -0.035 0.000 1.108 301 E CA 0.210 56.562 56.400 -0.079 0.000 0.943 301 E CB 0.392 29.997 29.700 -0.159 0.000 0.961 301 E HN 0.665 nan 8.360 nan 0.000 0.443 302 E N 1.062 121.317 120.200 0.091 0.000 2.283 302 E HA 0.180 4.532 4.350 0.005 0.000 0.278 302 E C -0.430 176.261 176.600 0.151 0.000 1.027 302 E CA -0.630 55.840 56.400 0.116 0.000 0.843 302 E CB 0.660 30.468 29.700 0.179 0.000 1.062 302 E HN 0.199 nan 8.360 nan 0.000 0.401 303 I N 4.016 124.604 120.570 0.029 0.000 2.483 303 I HA 0.026 4.199 4.170 0.005 0.000 0.291 303 I C 0.199 176.352 176.117 0.061 0.000 1.112 303 I CA 0.523 61.864 61.300 0.068 0.000 1.350 303 I CB -0.638 37.367 38.000 0.009 0.000 1.419 303 I HN 0.435 nan 8.210 nan 0.000 0.523 304 H N 4.071 123.223 119.070 0.137 0.000 2.580 304 H HA 0.869 5.427 4.556 0.004 0.000 0.324 304 H C -0.406 174.955 175.328 0.055 0.000 1.436 304 H CA -0.782 55.312 56.048 0.076 0.000 1.464 304 H CB 1.491 31.224 29.762 -0.049 0.000 1.752 304 H HN 0.304 nan 8.280 nan 0.000 0.726 305 V N 0.060 120.038 119.914 0.106 0.000 2.989 305 V HA 0.256 4.379 4.120 0.005 0.000 0.259 305 V C -1.691 174.406 176.094 0.004 0.000 1.813 305 V CA -0.694 61.611 62.300 0.008 0.000 0.939 305 V CB 1.744 33.556 31.823 -0.018 0.000 1.361 305 V HN 0.593 nan 8.190 nan 0.000 0.454 306 V N 6.094 125.982 119.914 -0.044 0.000 2.680 306 V HA 0.751 4.874 4.120 0.005 0.000 0.309 306 V C -0.795 175.287 176.094 -0.021 0.000 1.052 306 V CA -0.716 61.582 62.300 -0.004 0.000 0.908 306 V CB 1.773 33.586 31.823 -0.017 0.000 1.001 306 V HN 1.122 nan 8.190 nan 0.000 0.431 307 L N 7.676 128.909 121.223 0.015 0.000 2.385 307 L HA 0.525 4.868 4.340 0.005 0.000 0.285 307 L C -0.410 176.546 176.870 0.144 0.000 1.125 307 L CA 0.518 55.410 54.840 0.086 0.000 0.890 307 L CB -0.349 41.780 42.059 0.117 0.000 1.251 307 L HN 0.898 nan 8.230 nan 0.000 0.445 308 D N 1.581 122.025 120.400 0.073 0.000 2.581 308 D HA 0.237 4.879 4.640 0.005 0.000 0.232 308 D C -0.370 175.875 176.300 -0.092 0.000 1.143 308 D CA -0.618 53.374 54.000 -0.014 0.000 0.881 308 D CB 1.448 42.231 40.800 -0.028 0.000 1.500 308 D HN 0.302 nan 8.370 nan 0.000 0.458 309 T N -0.631 113.800 114.554 -0.206 0.000 2.900 309 T HA 0.314 4.667 4.350 0.005 0.000 0.307 309 T C -2.368 172.286 174.700 -0.076 0.000 1.065 309 T CA -0.813 61.141 62.100 -0.242 0.000 1.105 309 T CB 0.170 68.874 68.868 -0.273 0.000 0.979 309 T HN 0.123 nan 8.240 nan 0.000 0.544 310 P HA 0.236 nan 4.420 nan 0.000 0.271 310 P C -2.260 174.995 177.300 -0.076 0.000 1.216 310 P CA -1.103 61.962 63.100 -0.059 0.000 0.771 310 P CB -0.098 31.559 31.700 -0.071 0.000 0.864 311 P HA -0.022 nan 4.420 nan 0.000 0.264 311 P C -0.363 176.881 177.300 -0.094 0.000 1.193 311 P CA 0.194 63.234 63.100 -0.100 0.000 0.763 311 P CB 0.374 31.968 31.700 -0.176 0.000 0.810 312 D N 5.523 125.886 120.400 -0.062 0.000 2.376 312 D HA -0.021 4.622 4.640 0.005 0.000 0.278 312 D C -0.817 175.456 176.300 -0.045 0.000 1.384 312 D CA -1.489 52.481 54.000 -0.050 0.000 1.033 312 D CB 0.282 41.058 40.800 -0.040 0.000 1.102 312 D HN 0.230 nan 8.370 nan 0.000 0.530 313 P HA -0.233 nan 4.420 nan 0.000 0.222 313 P C 1.069 178.368 177.300 -0.001 0.000 1.142 313 P CA 0.823 63.914 63.100 -0.016 0.000 0.788 313 P CB 0.111 31.807 31.700 -0.007 0.000 0.767 314 A N 0.216 123.028 122.820 -0.014 0.000 2.084 314 A HA -0.161 4.162 4.320 0.005 0.000 0.221 314 A C 2.350 179.928 177.584 -0.010 0.000 1.161 314 A CA 1.249 53.278 52.037 -0.013 0.000 0.653 314 A CB -1.462 17.526 19.000 -0.020 0.000 0.802 314 A HN 0.203 nan 8.150 nan 0.000 0.457 315 L N -0.453 120.763 121.223 -0.012 0.000 2.109 315 L HA -0.097 4.246 4.340 0.005 0.000 0.207 315 L C 0.451 177.329 176.870 0.013 0.000 1.086 315 L CA 0.732 55.566 54.840 -0.011 0.000 0.760 315 L CB -0.626 41.418 42.059 -0.025 0.000 0.910 315 L HN 0.235 nan 8.230 nan 0.000 0.437 316 D N 1.700 122.126 120.400 0.043 0.000 2.941 316 D HA -0.030 4.612 4.640 0.005 0.000 0.236 316 D C 0.397 176.740 176.300 0.071 0.000 1.147 316 D CA 0.378 54.446 54.000 0.114 0.000 0.975 316 D CB -0.323 40.634 40.800 0.261 0.000 1.162 316 D HN 0.383 nan 8.370 nan 0.000 0.444 317 E N 0.633 120.852 120.200 0.030 0.000 2.227 317 E HA 0.264 4.617 4.350 0.005 0.000 0.282 317 E C -0.801 175.797 176.600 -0.003 0.000 1.015 317 E CA -0.609 55.792 56.400 0.002 0.000 0.823 317 E CB 1.216 30.908 29.700 -0.013 0.000 1.081 317 E HN -0.164 nan 8.360 nan 0.000 0.396 318 V N 5.198 125.098 119.914 -0.022 0.000 2.427 318 V HA 0.285 4.408 4.120 0.005 0.000 0.286 318 V C 0.568 176.621 176.094 -0.069 0.000 1.034 318 V CA -0.713 61.568 62.300 -0.032 0.000 0.893 318 V CB 1.229 33.028 31.823 -0.040 0.000 0.982 318 V HN 0.733 nan 8.190 nan 0.000 0.452 319 R N 3.865 124.297 120.500 -0.113 0.000 2.698 319 R HA 0.068 4.411 4.340 0.005 0.000 0.266 319 R C 0.160 176.362 176.300 -0.163 0.000 1.026 319 R CA -0.198 55.776 56.100 -0.210 0.000 1.102 319 R CB 0.325 30.336 30.300 -0.483 0.000 0.978 319 R HN 0.663 nan 8.270 nan 0.000 0.436 320 K N 3.145 123.457 120.400 -0.147 0.000 2.530 320 K HA -0.126 4.196 4.320 0.005 0.000 0.280 320 K C -0.409 176.134 176.600 -0.095 0.000 1.004 320 K CA 1.117 57.341 56.287 -0.104 0.000 1.071 320 K CB 0.283 32.727 32.500 -0.093 0.000 0.876 320 K HN 0.589 nan 8.250 nan 0.000 0.487 321 E N 3.871 124.032 120.200 -0.065 0.000 2.683 321 E HA 0.034 4.387 4.350 0.005 0.000 0.224 321 E C -0.363 176.215 176.600 -0.036 0.000 1.046 321 E CA -0.303 56.069 56.400 -0.047 0.000 0.811 321 E CB 0.583 30.261 29.700 -0.037 0.000 1.296 321 E HN 0.581 nan 8.360 nan 0.000 0.421 358 D N 1.455 121.847 120.400 -0.013 0.000 2.538 358 D HA 0.269 4.912 4.640 0.005 0.000 0.231 358 D C 0.370 176.667 176.300 -0.006 0.000 1.229 358 D CA -0.070 53.928 54.000 -0.003 0.000 0.828 358 D CB 0.220 41.020 40.800 -0.001 0.000 1.035 358 D HN 0.570 nan 8.370 nan 0.000 0.495 359 R N 0.757 121.248 120.500 -0.016 0.000 2.459 359 R HA 0.321 4.663 4.340 0.005 0.000 0.281 359 R C -0.381 175.923 176.300 0.008 0.000 1.050 359 R CA -0.355 55.732 56.100 -0.022 0.000 1.055 359 R CB 0.442 30.710 30.300 -0.053 0.000 1.045 359 R HN -0.174 nan 8.270 nan 0.000 0.495 360 K N 3.038 123.447 120.400 0.015 0.000 2.436 360 K HA 0.021 4.344 4.320 0.005 0.000 0.275 360 K C -0.224 176.431 176.600 0.091 0.000 0.999 360 K CA -0.047 56.284 56.287 0.073 0.000 0.980 360 K CB 0.194 32.736 32.500 0.070 0.000 0.919 360 K HN 0.489 nan 8.250 nan 0.000 0.484 361 F N 3.461 123.433 119.950 0.037 0.000 2.572 361 F HA 0.007 4.537 4.527 0.005 0.000 0.370 361 F C 0.140 175.992 175.800 0.087 0.000 1.103 361 F CA 0.252 58.257 58.000 0.007 0.000 1.286 361 F CB 0.496 39.444 39.000 -0.086 0.000 1.105 361 F HN 0.384 nan 8.300 nan 0.000 0.583 362 R N 4.279 124.178 120.500 -1.002 0.000 2.854 362 R HA 0.857 5.199 4.340 0.005 0.000 0.271 362 R C -1.728 174.105 176.300 -0.778 0.000 0.996 362 R CA -1.437 54.308 56.100 -0.592 0.000 0.961 362 R CB 2.146 32.262 30.300 -0.308 0.000 1.182 362 R HN 0.547 nan 8.270 nan 0.000 0.479 363 V N 1.502 121.400 119.914 -0.027 0.000 2.775 363 V HA 0.201 4.324 4.120 0.005 0.000 0.295 363 V C -1.442 174.698 176.094 0.076 0.000 1.226 363 V CA -0.753 61.562 62.300 0.024 0.000 0.934 363 V CB 1.939 33.796 31.823 0.056 0.000 1.056 363 V HN 0.772 nan 8.190 nan 0.000 0.436 364 K N 6.254 126.450 120.400 -0.341 0.000 2.211 364 K HA 0.602 4.924 4.320 0.005 0.000 0.275 364 K C -1.132 175.267 176.600 -0.334 0.000 1.024 364 K CA -0.668 55.223 56.287 -0.661 0.000 0.887 364 K CB 1.351 32.821 32.500 -1.718 0.000 1.084 364 K HN 0.550 nan 8.250 nan 0.000 0.463 365 I N 6.044 126.498 120.570 -0.193 0.000 2.282 365 I HA 0.182 4.355 4.170 0.005 0.000 0.290 365 I C 1.344 177.448 176.117 -0.022 0.000 1.090 365 I CA -0.392 60.854 61.300 -0.090 0.000 1.231 365 I CB 0.795 38.736 38.000 -0.099 0.000 1.434 365 I HN 0.668 nan 8.210 nan 0.000 0.487 366 R N 3.239 123.711 120.500 -0.047 0.000 2.080 366 R HA 0.109 4.452 4.340 0.005 0.000 0.236 366 R C 0.920 177.280 176.300 0.100 0.000 1.137 366 R CA 0.963 57.058 56.100 -0.008 0.000 0.943 366 R CB -0.225 30.050 30.300 -0.042 0.000 0.846 366 R HN 0.772 nan 8.270 nan 0.000 0.431 367 G N -0.535 108.338 108.800 0.123 0.000 2.317 367 G HA2 0.367 4.330 3.960 0.005 0.000 0.293 367 G HA3 0.367 4.330 3.960 0.005 0.000 0.293 367 G C -1.441 173.548 174.900 0.148 0.000 1.287 367 G CA -0.494 44.731 45.100 0.208 0.000 0.850 367 G HN 0.197 nan 8.290 nan 0.000 0.515 368 I N -2.916 117.748 120.570 0.158 0.000 2.969 368 I HA 0.872 5.044 4.170 0.005 0.000 0.307 368 I C -1.719 174.432 176.117 0.057 0.000 1.149 368 I CA -0.995 60.357 61.300 0.088 0.000 1.008 368 I CB 2.878 40.951 38.000 0.122 0.000 1.232 368 I HN 0.381 nan 8.210 nan 0.000 0.435 369 D N 3.690 124.095 120.400 0.009 0.000 2.753 369 D HA 0.594 5.237 4.640 0.005 0.000 0.224 369 D C -1.516 174.772 176.300 -0.021 0.000 1.213 369 D CA -0.232 53.773 54.000 0.007 0.000 0.833 369 D CB 3.516 44.313 40.800 -0.005 0.000 1.607 369 D HN 0.672 nan 8.370 nan 0.000 0.463 370 I N 1.596 122.157 120.570 -0.014 0.000 2.644 370 I HA 0.232 4.405 4.170 0.005 0.000 0.291 370 I C -2.146 173.945 176.117 -0.043 0.000 1.180 370 I CA -2.193 59.079 61.300 -0.046 0.000 1.040 370 I CB 2.719 40.686 38.000 -0.055 0.000 1.255 370 I HN 0.065 nan 8.210 nan 0.000 0.422 371 P HA -0.097 nan 4.420 nan 0.000 0.210 371 P C -0.037 177.234 177.300 -0.048 0.000 1.185 371 P CA 0.933 64.010 63.100 -0.039 0.000 0.924 371 P CB 0.060 31.738 31.700 -0.037 0.000 0.786 372 V N 1.163 121.048 119.914 -0.047 0.000 2.583 372 V HA 0.051 4.174 4.120 0.005 0.000 0.287 372 V C 1.217 177.257 176.094 -0.090 0.000 1.051 372 V CA 0.181 62.449 62.300 -0.054 0.000 1.010 372 V CB 1.260 33.064 31.823 -0.033 0.000 0.988 372 V HN 0.060 nan 8.190 nan 0.000 0.478 373 L N 5.340 126.496 121.223 -0.113 0.000 2.777 373 L HA 0.456 4.798 4.340 0.005 0.000 0.172 373 L C -1.414 175.354 176.870 -0.169 0.000 1.179 373 L CA 0.246 54.969 54.840 -0.194 0.000 0.859 373 L CB -0.902 41.037 42.059 -0.200 0.000 1.269 373 L HN 0.497 nan 8.230 nan 0.000 0.511 374 P HA -0.130 nan 4.420 nan 0.000 0.172 374 P C -0.698 176.565 177.300 -0.063 0.000 0.821 374 P CA 0.821 63.874 63.100 -0.077 0.000 1.150 374 P CB -0.283 31.387 31.700 -0.050 0.000 1.263 375 R N 3.910 124.367 120.500 -0.072 0.000 2.468 375 R HA 0.208 4.550 4.340 0.005 0.000 0.302 375 R C 0.923 177.221 176.300 -0.003 0.000 1.041 375 R CA -0.653 55.429 56.100 -0.030 0.000 0.899 375 R CB 0.075 30.357 30.300 -0.030 0.000 1.167 375 R HN 0.230 nan 8.270 nan 0.000 0.483 376 N N 0.326 119.032 118.700 0.009 0.000 1.157 376 N HA -0.345 4.397 4.740 0.005 0.000 0.144 376 N C 0.337 175.862 175.510 0.026 0.000 0.254 376 N CA 2.718 55.780 53.050 0.020 0.000 1.087 376 N CB -1.513 36.993 38.487 0.031 0.000 1.517 376 N HN 0.782 nan 8.380 nan 0.000 0.515 377 T N 0.375 114.956 114.554 0.045 0.000 2.709 377 T HA 0.016 4.369 4.350 0.005 0.000 0.345 377 T C 0.622 175.356 174.700 0.057 0.000 1.086 377 T CA 0.639 62.774 62.100 0.058 0.000 1.084 377 T CB 0.335 69.253 68.868 0.083 0.000 1.000 377 T HN 0.577 nan 8.240 nan 0.000 0.549 378 D N 0.167 120.606 120.400 0.066 0.000 2.696 378 D HA 0.139 4.781 4.640 0.005 0.000 0.269 378 D C 0.567 176.927 176.300 0.100 0.000 1.319 378 D CA -0.596 53.443 54.000 0.065 0.000 0.826 378 D CB -0.144 40.683 40.800 0.045 0.000 1.086 378 D HN 0.388 nan 8.370 nan 0.000 0.481 379 L N 0.599 121.903 121.223 0.135 0.000 2.474 379 L HA 0.206 4.548 4.340 0.005 0.000 0.259 379 L C 0.634 177.626 176.870 0.204 0.000 1.232 379 L CA 0.490 55.424 54.840 0.157 0.000 0.821 379 L CB 1.541 43.696 42.059 0.160 0.000 1.108 379 L HN 0.069 nan 8.230 nan 0.000 0.495 380 T N 0.692 115.357 114.554 0.185 0.000 2.920 380 T HA 0.533 4.885 4.350 0.005 0.000 0.292 380 T C -0.793 174.014 174.700 0.180 0.000 1.093 380 T CA -0.151 62.069 62.100 0.199 0.000 0.944 380 T CB 1.123 70.104 68.868 0.188 0.000 1.605 380 T HN 0.534 nan 8.240 nan 0.000 0.590 381 V N 1.406 121.442 119.914 0.204 0.000 3.088 381 V HA 0.593 4.716 4.120 0.005 0.000 0.272 381 V C -2.061 174.244 176.094 0.353 0.000 1.611 381 V CA -0.852 61.509 62.300 0.101 0.000 0.990 381 V CB 1.393 33.095 31.823 -0.200 0.000 1.234 381 V HN 0.894 nan 8.190 nan 0.000 0.453 382 F N 4.343 124.411 119.950 0.198 0.000 2.629 382 F HA 0.961 5.491 4.527 0.004 0.000 0.316 382 F C -1.039 174.713 175.800 -0.080 0.000 1.081 382 F CA -1.185 56.863 58.000 0.080 0.000 0.954 382 F CB 1.702 40.728 39.000 0.044 0.000 1.337 382 F HN 0.358 nan 8.300 nan 0.000 0.474 383 V N 0.989 120.789 119.914 -0.190 0.000 2.532 383 V HA 0.419 4.542 4.120 0.005 0.000 0.295 383 V C -0.748 175.413 176.094 0.112 0.000 1.041 383 V CA -0.612 61.597 62.300 -0.152 0.000 0.926 383 V CB 1.532 33.152 31.823 -0.337 0.000 0.992 383 V HN 0.878 nan 8.190 nan 0.000 0.457 384 E N 2.865 123.162 120.200 0.163 0.000 2.182 384 E HA 0.653 5.005 4.350 0.005 0.000 0.258 384 E C -0.640 176.063 176.600 0.172 0.000 0.879 384 E CA -0.602 55.941 56.400 0.238 0.000 0.754 384 E CB 1.366 31.310 29.700 0.407 0.000 1.162 384 E HN 0.855 nan 8.360 nan 0.000 0.419 385 A N 5.200 128.129 122.820 0.182 0.000 2.252 385 A HA 0.449 4.771 4.320 0.005 0.000 0.309 385 A C -0.690 177.112 177.584 0.363 0.000 1.285 385 A CA -0.712 51.484 52.037 0.265 0.000 0.900 385 A CB 0.457 19.685 19.000 0.380 0.000 1.157 385 A HN 0.683 nan 8.150 nan 0.000 0.536 386 N N 2.178 121.020 118.700 0.238 0.000 2.284 386 N HA 0.403 5.145 4.740 0.005 0.000 0.300 386 N C -1.064 174.498 175.510 0.086 0.000 1.047 386 N CA -0.359 52.815 53.050 0.207 0.000 0.821 386 N CB 1.916 40.471 38.487 0.114 0.000 1.337 386 N HN 0.541 nan 8.380 nan 0.000 0.482 387 I N 2.221 122.833 120.570 0.070 0.000 2.304 387 I HA 0.177 4.350 4.170 0.005 0.000 0.291 387 I C 0.226 176.315 176.117 -0.047 0.000 1.018 387 I CA -0.174 61.056 61.300 -0.117 0.000 1.260 387 I CB 0.747 38.611 38.000 -0.227 0.000 1.390 387 I HN 0.245 nan 8.210 nan 0.000 0.475 388 Q N 5.005 124.761 119.800 -0.073 0.000 2.345 388 Q HA 0.442 4.785 4.340 0.005 0.000 0.268 388 Q C -0.778 175.194 176.000 -0.048 0.000 1.054 388 Q CA -0.712 55.059 55.803 -0.053 0.000 0.835 388 Q CB 2.861 31.552 28.738 -0.078 0.000 1.339 388 Q HN 0.477 nan 8.270 nan 0.000 0.447 389 H N 0.220 119.210 119.070 -0.133 0.000 3.240 389 H HA 0.243 4.802 4.556 0.005 0.000 0.326 389 H C -0.188 175.011 175.328 -0.215 0.000 1.015 389 H CA 0.503 56.441 56.048 -0.182 0.000 1.504 389 H CB 1.111 30.786 29.762 -0.145 0.000 1.754 389 H HN 0.927 nan 8.280 nan 0.000 0.505 390 G N 4.273 112.814 108.800 -0.432 0.000 2.333 390 G HA2 -0.328 3.635 3.960 0.005 0.000 0.296 390 G HA3 -0.328 3.635 3.960 0.005 0.000 0.296 390 G C 0.537 175.290 174.900 -0.245 0.000 1.059 390 G CA 1.356 46.240 45.100 -0.359 0.000 1.050 390 G HN 0.819 nan 8.290 nan 0.000 0.508 391 Q N -2.173 117.503 119.800 -0.207 0.000 2.963 391 Q HA -0.267 4.076 4.340 0.005 0.000 0.171 391 Q C 0.883 176.805 176.000 -0.130 0.000 1.703 391 Q CA 2.785 58.480 55.803 -0.180 0.000 1.023 391 Q CB -1.184 27.427 28.738 -0.210 0.000 0.933 391 Q HN 1.103 nan 8.270 nan 0.000 0.964 392 Q N 1.074 120.817 119.800 -0.094 0.000 2.281 392 Q HA 0.363 4.706 4.340 0.005 0.000 0.267 392 Q C -0.788 175.204 176.000 -0.014 0.000 1.053 392 Q CA -0.003 55.779 55.803 -0.036 0.000 0.905 392 Q CB 0.654 29.405 28.738 0.022 0.000 1.195 392 Q HN 0.192 nan 8.270 nan 0.000 0.398 393 V N 6.615 126.519 119.914 -0.017 0.000 2.614 393 V HA 0.013 4.136 4.120 0.005 0.000 0.291 393 V C 0.952 177.059 176.094 0.022 0.000 1.049 393 V CA 0.164 62.467 62.300 0.004 0.000 1.038 393 V CB 1.081 32.908 31.823 0.006 0.000 0.980 393 V HN 0.846 nan 8.190 nan 0.000 0.481 394 L N 3.019 124.265 121.223 0.039 0.000 2.766 394 L HA 0.425 4.768 4.340 0.005 0.000 0.242 394 L C 0.224 177.142 176.870 0.081 0.000 1.136 394 L CA 0.375 55.239 54.840 0.041 0.000 0.933 394 L CB 0.500 42.575 42.059 0.026 0.000 1.241 394 L HN 0.694 nan 8.230 nan 0.000 0.522 395 C N -0.354 119.019 119.300 0.122 0.000 2.969 395 C HA 0.288 4.751 4.460 0.005 0.000 0.338 395 C C -1.665 173.452 174.990 0.211 0.000 1.217 395 C CA -0.813 58.317 59.018 0.186 0.000 1.146 395 C CB 1.806 29.790 27.740 0.407 0.000 1.366 395 C HN 0.504 nan 8.230 nan 0.000 0.488 396 Q N 3.035 122.870 119.800 0.059 0.000 2.313 396 Q HA 0.711 5.054 4.340 0.005 0.000 0.260 396 Q C -1.568 174.310 176.000 -0.203 0.000 0.972 396 Q CA -0.591 55.221 55.803 0.015 0.000 0.886 396 Q CB 1.376 30.127 28.738 0.021 0.000 1.373 396 Q HN 0.724 nan 8.270 nan 0.000 0.416 397 R N 2.501 122.864 120.500 -0.229 0.000 2.750 397 R HA 0.639 4.981 4.340 0.005 0.000 0.281 397 R C -0.594 175.646 176.300 -0.100 0.000 0.972 397 R CA -0.596 55.327 56.100 -0.295 0.000 0.912 397 R CB 2.163 32.114 30.300 -0.581 0.000 1.187 397 R HN 0.777 nan 8.270 nan 0.000 0.464 398 R N -0.420 120.006 120.500 -0.124 0.000 3.228 398 R HA 0.607 4.950 4.340 0.005 0.000 0.229 398 R C -0.284 175.929 176.300 -0.146 0.000 1.583 398 R CA -0.652 55.392 56.100 -0.094 0.000 1.035 398 R CB 1.543 31.709 30.300 -0.223 0.000 1.696 398 R HN 0.772 nan 8.270 nan 0.000 0.523 399 T N -1.980 112.473 114.554 -0.168 0.000 2.883 399 T HA 0.299 4.651 4.350 0.005 0.000 0.301 399 T C -0.422 174.274 174.700 -0.007 0.000 1.158 399 T CA -1.013 60.935 62.100 -0.253 0.000 1.007 399 T CB 1.526 69.845 68.868 -0.914 0.000 1.186 399 T HN 0.575 nan 8.240 nan 0.000 0.499 400 S N 1.285 117.105 115.700 0.201 0.000 2.549 400 S HA 0.283 4.756 4.470 0.005 0.000 0.286 400 S C -2.622 172.291 174.600 0.522 0.000 1.314 400 S CA -0.883 57.498 58.200 0.302 0.000 1.062 400 S CB -0.526 62.856 63.200 0.304 0.000 0.865 400 S HN 0.610 nan 8.310 nan 0.000 0.498 401 P HA 0.191 nan 4.420 nan 0.000 0.264 401 P C -0.260 177.223 177.300 0.306 0.000 1.537 401 P CA -0.022 63.319 63.100 0.401 0.000 1.189 401 P CB 0.042 31.903 31.700 0.267 0.000 1.687 402 K N 4.123 124.717 120.400 0.322 0.000 2.118 402 K HA 0.407 4.729 4.320 0.005 0.000 0.264 402 K C -2.403 174.230 176.600 0.055 0.000 1.000 402 K CA -2.562 53.728 56.287 0.006 0.000 0.929 402 K CB -0.036 32.183 32.500 -0.469 0.000 1.021 402 K HN 0.073 nan 8.250 nan 0.000 0.463 403 P HA -0.037 nan 4.420 nan 0.000 0.266 403 P C -0.311 177.090 177.300 0.168 0.000 1.195 403 P CA -0.049 63.108 63.100 0.094 0.000 0.768 403 P CB 0.193 31.921 31.700 0.046 0.000 0.838 404 F N 4.470 124.440 119.950 0.033 0.000 2.652 404 F HA 0.142 4.672 4.527 0.005 0.000 0.352 404 F C 0.450 176.259 175.800 0.014 0.000 1.259 404 F CA -0.489 57.536 58.000 0.042 0.000 1.249 404 F CB -1.345 37.701 39.000 0.076 0.000 1.628 404 F HN 0.147 nan 8.300 nan 0.000 0.654 405 T N 0.623 115.269 114.554 0.152 0.000 2.923 405 T HA 0.272 4.624 4.350 0.005 0.000 0.281 405 T C 1.262 175.938 174.700 -0.041 0.000 0.995 405 T CA -0.661 61.426 62.100 -0.022 0.000 0.985 405 T CB 1.186 70.044 68.868 -0.018 0.000 1.114 405 T HN 0.325 nan 8.240 nan 0.000 0.548 406 E N 0.537 120.691 120.200 -0.077 0.000 2.136 406 E HA -0.184 4.169 4.350 0.005 0.000 0.202 406 E C 0.672 177.264 176.600 -0.013 0.000 1.019 406 E CA 1.611 57.972 56.400 -0.064 0.000 0.819 406 E CB -0.092 29.575 29.700 -0.055 0.000 0.739 406 E HN 0.856 nan 8.360 nan 0.000 0.458 407 E N -0.248 119.949 120.200 -0.006 0.000 2.292 407 E HA 0.386 4.739 4.350 0.005 0.000 0.272 407 E C -1.672 174.916 176.600 -0.022 0.000 0.881 407 E CA -0.418 55.983 56.400 0.001 0.000 0.754 407 E CB 2.213 31.903 29.700 -0.017 0.000 1.201 407 E HN -0.179 nan 8.360 nan 0.000 0.425 408 V N 5.428 125.327 119.914 -0.024 0.000 2.447 408 V HA 0.361 4.484 4.120 0.005 0.000 0.292 408 V C -0.375 175.625 176.094 -0.156 0.000 1.021 408 V CA -0.654 61.548 62.300 -0.164 0.000 0.850 408 V CB 1.108 32.779 31.823 -0.254 0.000 1.005 408 V HN 0.618 nan 8.190 nan 0.000 0.426 409 L N 3.554 124.665 121.223 -0.187 0.000 2.334 409 L HA 0.502 4.845 4.340 0.005 0.000 0.275 409 L C 0.514 177.296 176.870 -0.148 0.000 1.036 409 L CA -0.066 54.733 54.840 -0.068 0.000 0.807 409 L CB 1.795 43.827 42.059 -0.046 0.000 1.231 409 L HN 0.636 nan 8.230 nan 0.000 0.438 410 W N 0.333 121.626 121.300 -0.012 0.000 2.968 410 W HA 0.066 4.729 4.660 0.005 0.000 0.253 410 W C 0.997 177.502 176.519 -0.024 0.000 1.150 410 W CA 0.091 57.433 57.345 -0.004 0.000 1.463 410 W CB 0.231 29.693 29.460 0.004 0.000 0.906 410 W HN 0.825 nan 8.180 nan 0.000 0.650 411 N N 1.209 120.005 118.700 0.160 0.000 2.701 411 N HA -0.226 4.517 4.740 0.005 0.000 0.250 411 N C -1.006 174.523 175.510 0.033 0.000 1.046 411 N CA 0.826 53.895 53.050 0.031 0.000 0.733 411 N CB -1.250 37.251 38.487 0.023 0.000 0.973 411 N HN -0.091 nan 8.380 nan 0.000 0.541 412 V N 0.841 120.798 119.914 0.071 0.000 2.417 412 V HA 0.594 4.716 4.120 0.005 0.000 0.291 412 V C -0.112 175.995 176.094 0.022 0.000 1.024 412 V CA -0.871 61.483 62.300 0.090 0.000 0.861 412 V CB 0.509 32.431 31.823 0.166 0.000 0.985 412 V HN 0.318 nan 8.190 nan 0.000 0.436 413 W N 5.649 126.969 121.300 0.034 0.000 2.170 413 W HA 0.500 5.162 4.660 0.004 0.000 0.336 413 W C -0.040 176.481 176.519 0.003 0.000 1.283 413 W CA -0.263 57.088 57.345 0.008 0.000 1.224 413 W CB 0.736 30.191 29.460 -0.008 0.000 1.132 413 W HN 0.380 nan 8.180 nan 0.000 0.571 414 L N 3.448 124.851 121.223 0.299 0.000 2.324 414 L HA 0.228 4.571 4.340 0.005 0.000 0.274 414 L C -0.083 176.947 176.870 0.265 0.000 1.012 414 L CA -0.860 54.098 54.840 0.198 0.000 0.859 414 L CB 0.919 43.101 42.059 0.204 0.000 1.224 414 L HN 0.350 nan 8.230 nan 0.000 0.429 415 E N 2.408 122.691 120.200 0.138 0.000 2.313 415 E HA 0.401 4.753 4.350 0.005 0.000 0.276 415 E C -1.195 175.479 176.600 0.124 0.000 1.031 415 E CA 0.044 56.525 56.400 0.135 0.000 0.857 415 E CB 0.782 30.502 29.700 0.033 0.000 1.040 415 E HN 0.156 nan 8.360 nan 0.000 0.408 416 F N 1.557 121.553 119.950 0.077 0.000 2.557 416 F HA 0.332 4.861 4.527 0.004 0.000 0.336 416 F C 1.490 177.337 175.800 0.078 0.000 1.058 416 F CA -0.510 57.564 58.000 0.124 0.000 0.988 416 F CB 1.642 40.809 39.000 0.278 0.000 1.275 416 F HN 0.508 nan 8.300 nan 0.000 0.488 417 S N 0.290 116.132 115.700 0.235 0.000 2.387 417 S HA 0.176 4.648 4.470 0.005 0.000 0.221 417 S C 0.765 175.450 174.600 0.143 0.000 1.041 417 S CA 0.046 58.322 58.200 0.128 0.000 0.959 417 S CB -0.195 63.046 63.200 0.067 0.000 0.843 417 S HN 0.299 nan 8.310 nan 0.000 0.488 418 I N 2.496 123.174 120.570 0.179 0.000 2.948 418 I HA -0.080 4.093 4.170 0.005 0.000 0.303 418 I C 0.368 176.557 176.117 0.121 0.000 1.224 418 I CA 0.535 61.905 61.300 0.116 0.000 1.442 418 I CB 0.097 38.149 38.000 0.085 0.000 1.328 418 I HN 0.063 nan 8.210 nan 0.000 0.578 419 K N 4.458 124.900 120.400 0.068 0.000 2.110 419 K HA 0.258 4.580 4.320 0.005 0.000 0.263 419 K C 0.831 177.463 176.600 0.054 0.000 0.975 419 K CA -0.864 55.460 56.287 0.063 0.000 0.895 419 K CB 1.617 34.136 32.500 0.033 0.000 1.060 419 K HN 0.373 nan 8.250 nan 0.000 0.448 420 I N 2.356 122.965 120.570 0.064 0.000 2.381 420 I HA -0.275 3.898 4.170 0.005 0.000 0.255 420 I C 1.870 178.002 176.117 0.025 0.000 1.140 420 I CA 1.680 63.009 61.300 0.049 0.000 1.404 420 I CB -0.236 37.775 38.000 0.018 0.000 1.075 420 I HN 0.486 nan 8.210 nan 0.000 0.433 421 K N 0.088 120.501 120.400 0.022 0.000 2.444 421 K HA -0.001 4.322 4.320 0.005 0.000 0.193 421 K C 1.141 177.756 176.600 0.025 0.000 1.024 421 K CA 0.687 56.991 56.287 0.028 0.000 1.077 421 K CB -0.080 32.435 32.500 0.026 0.000 0.833 421 K HN 0.296 nan 8.250 nan 0.000 0.517 422 D N -0.453 119.955 120.400 0.013 0.000 2.388 422 D HA 0.035 4.678 4.640 0.005 0.000 0.208 422 D C 0.026 176.320 176.300 -0.010 0.000 1.035 422 D CA -0.014 53.986 54.000 -0.001 0.000 0.875 422 D CB 0.386 41.180 40.800 -0.010 0.000 0.984 422 D HN 0.125 nan 8.370 nan 0.000 0.508 423 L N 4.281 125.491 121.223 -0.022 0.000 2.615 423 L HA 0.061 4.404 4.340 0.005 0.000 0.271 423 L C -1.951 174.921 176.870 0.004 0.000 1.183 423 L CA -0.771 54.035 54.840 -0.056 0.000 0.933 423 L CB 0.179 42.168 42.059 -0.115 0.000 1.199 423 L HN -0.163 nan 8.230 nan 0.000 0.487 424 P HA 0.115 nan 4.420 nan 0.000 0.282 424 P C -0.942 176.443 177.300 0.142 0.000 1.249 424 P CA -0.891 62.271 63.100 0.103 0.000 0.806 424 P CB 1.207 32.941 31.700 0.057 0.000 0.984 425 K N 1.613 122.119 120.400 0.177 0.000 2.491 425 K HA 0.244 4.567 4.320 0.005 0.000 0.279 425 K C 1.208 177.894 176.600 0.145 0.000 1.026 425 K CA 1.594 57.978 56.287 0.162 0.000 1.070 425 K CB -0.978 31.625 32.500 0.172 0.000 0.887 425 K HN 0.798 nan 8.250 nan 0.000 0.481 426 G N 2.155 110.977 108.800 0.036 0.000 2.278 426 G HA2 -0.211 3.752 3.960 0.005 0.000 0.210 426 G HA3 -0.211 3.752 3.960 0.005 0.000 0.210 426 G C 0.255 175.010 174.900 -0.242 0.000 1.000 426 G CA -0.117 44.856 45.100 -0.212 0.000 0.635 426 G HN 0.988 nan 8.290 nan 0.000 0.495 427 A N 0.361 123.138 122.820 -0.071 0.000 2.555 427 A HA 0.551 4.874 4.320 0.005 0.000 0.233 427 A C 0.254 177.730 177.584 -0.179 0.000 1.060 427 A CA 0.810 52.795 52.037 -0.087 0.000 0.759 427 A CB 0.151 19.104 19.000 -0.079 0.000 0.995 427 A HN 1.088 nan 8.150 nan 0.000 0.506 428 L N 1.899 123.015 121.223 -0.179 0.000 2.381 428 L HA 0.353 4.695 4.340 0.005 0.000 0.274 428 L C -0.706 176.064 176.870 -0.166 0.000 0.988 428 L CA -0.811 53.924 54.840 -0.175 0.000 0.824 428 L CB 1.864 43.831 42.059 -0.154 0.000 1.263 428 L HN 0.704 nan 8.230 nan 0.000 0.410 429 L N 4.996 126.114 121.223 -0.174 0.000 2.295 429 L HA 0.277 4.620 4.340 0.005 0.000 0.288 429 L C 0.100 176.932 176.870 -0.064 0.000 1.079 429 L CA 0.347 55.097 54.840 -0.151 0.000 0.830 429 L CB 0.249 42.215 42.059 -0.155 0.000 1.200 429 L HN 0.548 nan 8.230 nan 0.000 0.438 430 N N 6.722 125.411 118.700 -0.019 0.000 2.527 430 N HA 0.201 4.944 4.740 0.005 0.000 0.236 430 N C -1.218 174.334 175.510 0.069 0.000 0.999 430 N CA -0.411 52.658 53.050 0.032 0.000 0.935 430 N CB 0.620 39.122 38.487 0.024 0.000 1.132 430 N HN 0.638 nan 8.380 nan 0.000 0.511 431 L N 2.380 123.645 121.223 0.070 0.000 2.326 431 L HA 0.358 4.701 4.340 0.005 0.000 0.278 431 L C 0.372 177.293 176.870 0.086 0.000 1.092 431 L CA -0.316 54.565 54.840 0.067 0.000 0.810 431 L CB 1.138 43.215 42.059 0.030 0.000 1.153 431 L HN 0.407 nan 8.230 nan 0.000 0.439 432 Q N 3.427 123.262 119.800 0.059 0.000 2.345 432 Q HA 0.572 4.914 4.340 0.005 0.000 0.275 432 Q C -1.334 174.598 176.000 -0.112 0.000 1.063 432 Q CA -0.661 55.136 55.803 -0.010 0.000 0.819 432 Q CB 3.423 32.142 28.738 -0.031 0.000 1.356 432 Q HN 0.514 nan 8.270 nan 0.000 0.418 433 I N 2.138 122.584 120.570 -0.207 0.000 2.378 433 I HA 0.410 4.582 4.170 0.005 0.000 0.291 433 I C -1.271 174.541 176.117 -0.509 0.000 0.992 433 I CA -0.664 60.482 61.300 -0.257 0.000 1.154 433 I CB 0.888 38.861 38.000 -0.043 0.000 1.315 433 I HN 0.520 nan 8.210 nan 0.000 0.448 434 Y N 4.932 124.890 120.300 -0.571 0.000 2.485 434 Y HA 0.592 5.145 4.550 0.004 0.000 0.345 434 Y C 0.176 175.745 175.900 -0.553 0.000 0.998 434 Y CA -0.646 57.087 58.100 -0.611 0.000 1.059 434 Y CB 1.941 39.845 38.460 -0.926 0.000 1.234 434 Y HN 0.708 nan 8.280 nan 0.000 0.461 461 L N 3.394 124.358 121.223 -0.433 0.000 2.854 461 L HA 0.380 4.723 4.340 0.005 0.000 0.249 461 L C -0.952 175.375 176.870 -0.905 0.000 1.091 461 L CA -0.022 54.437 54.840 -0.635 0.000 0.935 461 L CB 0.736 42.332 42.059 -0.772 0.000 1.367 461 L HN 0.530 nan 8.230 nan 0.000 0.524 462 Y N -0.224 120.049 120.300 -0.045 0.000 2.433 462 Y HA 0.492 5.045 4.550 0.005 0.000 0.337 462 Y C -0.650 175.287 175.900 0.061 0.000 1.026 462 Y CA -1.485 56.620 58.100 0.008 0.000 1.037 462 Y CB 1.405 39.841 38.460 -0.041 0.000 1.245 462 Y HN 0.004 nan 8.280 nan 0.000 0.443 463 Y N 0.341 120.749 120.300 0.181 0.000 2.576 463 Y HA 0.931 5.484 4.550 0.005 0.000 0.346 463 Y C -1.824 174.217 175.900 0.235 0.000 1.018 463 Y CA -1.650 56.531 58.100 0.134 0.000 1.050 463 Y CB 1.869 40.379 38.460 0.084 0.000 1.280 463 Y HN 0.563 nan 8.280 nan 0.000 0.474 464 V N 2.459 122.528 119.914 0.259 0.000 3.077 464 V HA 0.520 4.643 4.120 0.005 0.000 0.299 464 V C -1.982 174.220 176.094 0.179 0.000 1.276 464 V CA -0.729 61.691 62.300 0.201 0.000 0.993 464 V CB 2.410 34.260 31.823 0.045 0.000 1.076 464 V HN 1.025 nan 8.190 nan 0.000 0.434 465 N N 4.224 123.021 118.700 0.162 0.000 2.381 465 N HA 0.703 5.446 4.740 0.005 0.000 0.294 465 N C -1.776 173.738 175.510 0.006 0.000 1.216 465 N CA -0.496 52.596 53.050 0.071 0.000 0.803 465 N CB 2.511 41.039 38.487 0.068 0.000 1.372 465 N HN 0.550 nan 8.380 nan 0.000 0.500 466 L N 2.134 123.317 121.223 -0.066 0.000 2.680 466 L HA 0.367 4.710 4.340 0.005 0.000 0.260 466 L C -1.212 175.570 176.870 -0.148 0.000 0.975 466 L CA -0.324 54.439 54.840 -0.128 0.000 0.920 466 L CB 0.646 42.546 42.059 -0.264 0.000 1.234 466 L HN 0.516 nan 8.230 nan 0.000 0.429 467 L N 5.112 126.264 121.223 -0.118 0.000 2.628 467 L HA -0.023 4.320 4.340 0.005 0.000 0.274 467 L C 1.586 178.384 176.870 -0.119 0.000 1.209 467 L CA 0.188 54.944 54.840 -0.140 0.000 0.930 467 L CB 0.453 42.426 42.059 -0.143 0.000 1.183 467 L HN 0.637 nan 8.230 nan 0.000 0.492 468 L N 4.786 125.921 121.223 -0.148 0.000 2.376 468 L HA 0.052 4.394 4.340 0.005 0.000 0.219 468 L C 0.565 177.406 176.870 -0.048 0.000 1.133 468 L CA 0.822 55.582 54.840 -0.132 0.000 0.816 468 L CB -0.146 41.764 42.059 -0.249 0.000 0.933 468 L HN 0.524 nan 8.230 nan 0.000 0.449 469 I N 0.835 121.395 120.570 -0.017 0.000 2.411 469 I HA 0.116 4.289 4.170 0.005 0.000 0.284 469 I C -0.099 176.070 176.117 0.087 0.000 1.012 469 I CA -0.845 60.475 61.300 0.033 0.000 1.119 469 I CB 1.352 39.378 38.000 0.044 0.000 1.261 469 I HN 0.067 nan 8.210 nan 0.000 0.448 470 D N 6.183 126.598 120.400 0.025 0.000 2.232 470 D HA -0.139 4.504 4.640 0.005 0.000 0.242 470 D C 1.041 177.268 176.300 -0.123 0.000 1.330 470 D CA 0.449 54.448 54.000 -0.001 0.000 0.954 470 D CB 0.421 41.091 40.800 -0.218 0.000 1.202 470 D HN 0.621 nan 8.370 nan 0.000 0.530 471 H N -0.761 118.197 119.070 -0.186 0.000 2.529 471 H HA 0.131 4.689 4.556 0.004 0.000 0.277 471 H C 0.948 176.041 175.328 -0.392 0.000 0.999 471 H CA 0.319 56.125 56.048 -0.403 0.000 1.256 471 H CB -0.266 29.354 29.762 -0.238 0.000 1.402 471 H HN 0.351 nan 8.280 nan 0.000 0.566 472 R N 0.117 120.292 120.500 -0.541 0.000 2.515 472 R HA 0.109 4.451 4.340 0.005 0.000 0.294 472 R C -0.543 175.829 176.300 0.120 0.000 1.021 472 R CA -0.417 55.556 56.100 -0.210 0.000 1.081 472 R CB -0.181 29.910 30.300 -0.348 0.000 1.263 472 R HN 0.049 nan 8.270 nan 0.000 0.557 473 F N 0.209 120.055 119.950 -0.173 0.000 3.074 473 F HA -0.260 4.270 4.527 0.004 0.000 0.287 473 F C -0.352 175.421 175.800 -0.045 0.000 0.932 473 F CA 0.408 58.359 58.000 -0.082 0.000 0.995 473 F CB -1.785 37.181 39.000 -0.056 0.000 0.966 473 F HN 0.060 nan 8.300 nan 0.000 0.721 474 L N 0.412 121.662 121.223 0.046 0.000 2.354 474 L HA 0.658 5.001 4.340 0.005 0.000 0.269 474 L C -0.041 176.868 176.870 0.066 0.000 1.005 474 L CA -1.480 53.396 54.840 0.060 0.000 0.819 474 L CB 1.749 43.810 42.059 0.004 0.000 1.311 474 L HN 0.038 nan 8.230 nan 0.000 0.423 475 L N 2.306 123.602 121.223 0.122 0.000 2.361 475 L HA 0.354 4.696 4.340 0.005 0.000 0.278 475 L C 0.371 177.315 176.870 0.124 0.000 1.113 475 L CA -0.018 54.891 54.840 0.114 0.000 0.849 475 L CB 0.537 42.675 42.059 0.131 0.000 1.155 475 L HN 0.495 nan 8.230 nan 0.000 0.452 476 R N 4.299 124.850 120.500 0.086 0.000 2.523 476 R HA 0.109 4.452 4.340 0.005 0.000 0.281 476 R C -0.492 175.910 176.300 0.169 0.000 0.969 476 R CA 0.923 57.083 56.100 0.101 0.000 1.093 476 R CB 0.021 30.304 30.300 -0.028 0.000 0.917 476 R HN 0.821 nan 8.270 nan 0.000 0.408 477 R N 2.862 123.508 120.500 0.243 0.000 2.531 477 R HA 0.519 4.862 4.340 0.005 0.000 0.293 477 R C -1.223 175.238 176.300 0.267 0.000 1.124 477 R CA 0.214 56.461 56.100 0.244 0.000 0.945 477 R CB 1.057 31.476 30.300 0.198 0.000 1.195 477 R HN 0.906 nan 8.270 nan 0.000 0.433 478 G N 2.225 111.204 108.800 0.298 0.000 2.362 478 G HA2 -0.017 3.946 3.960 0.005 0.000 0.288 478 G HA3 -0.017 3.946 3.960 0.005 0.000 0.288 478 G C -1.654 173.306 174.900 0.100 0.000 1.305 478 G CA -0.909 44.272 45.100 0.134 0.000 0.910 478 G HN 0.386 nan 8.290 nan 0.000 0.518 479 E N -0.321 119.794 120.200 -0.142 0.000 2.331 479 E HA 0.578 4.930 4.350 0.005 0.000 0.272 479 E C -1.244 175.113 176.600 -0.405 0.000 1.036 479 E CA 0.161 56.482 56.400 -0.132 0.000 0.864 479 E CB 1.432 31.061 29.700 -0.118 0.000 1.035 479 E HN 0.387 nan 8.360 nan 0.000 0.408 480 Y N -0.416 119.841 120.300 -0.072 0.000 2.470 480 Y HA 0.263 4.816 4.550 0.005 0.000 0.341 480 Y C -0.335 175.493 175.900 -0.120 0.000 1.021 480 Y CA -0.815 57.224 58.100 -0.103 0.000 1.025 480 Y CB 1.874 40.236 38.460 -0.163 0.000 1.266 480 Y HN 0.118 nan 8.280 nan 0.000 0.448 481 V N 5.411 125.317 119.914 -0.012 0.000 2.305 481 V HA 0.374 4.497 4.120 0.005 0.000 0.275 481 V C -0.678 175.298 176.094 -0.198 0.000 1.020 481 V CA -0.599 61.629 62.300 -0.121 0.000 0.811 481 V CB 0.693 32.431 31.823 -0.140 0.000 1.031 481 V HN 0.554 nan 8.190 nan 0.000 0.439 482 L N 5.085 126.186 121.223 -0.203 0.000 2.275 482 L HA 0.557 4.900 4.340 0.005 0.000 0.288 482 L C 0.050 176.717 176.870 -0.337 0.000 1.046 482 L CA -0.626 54.093 54.840 -0.202 0.000 0.805 482 L CB 0.756 42.743 42.059 -0.120 0.000 1.193 482 L HN 0.502 nan 8.230 nan 0.000 0.426 483 H N 4.624 123.607 119.070 -0.145 0.000 2.620 483 H HA 0.402 4.960 4.556 0.005 0.000 0.313 483 H C -0.219 174.882 175.328 -0.378 0.000 1.075 483 H CA -0.103 55.802 56.048 -0.239 0.000 1.397 483 H CB 1.410 31.021 29.762 -0.251 0.000 1.446 483 H HN 0.490 nan 8.280 nan 0.000 0.493 484 M N 2.148 121.595 119.600 -0.255 0.000 2.444 484 M HA 0.233 4.716 4.480 0.005 0.000 0.319 484 M C -0.483 175.585 176.300 -0.387 0.000 1.183 484 M CA -0.674 54.434 55.300 -0.320 0.000 1.032 484 M CB 1.495 34.025 32.600 -0.117 0.000 1.569 484 M HN 0.401 nan 8.290 nan 0.000 0.468 485 W N 1.036 122.180 121.300 -0.259 0.000 2.315 485 W HA 0.425 5.088 4.660 0.005 0.000 0.316 485 W C 0.142 176.608 176.519 -0.089 0.000 1.211 485 W CA -0.261 56.913 57.345 -0.284 0.000 1.201 485 W CB 0.388 29.471 29.460 -0.628 0.000 1.184 485 W HN 0.464 nan 8.180 nan 0.000 0.544 486 Q N 2.921 122.904 119.800 0.306 0.000 2.259 486 Q HA 0.333 4.676 4.340 0.005 0.000 0.249 486 Q C -0.709 175.405 176.000 0.190 0.000 0.914 486 Q CA -0.212 55.732 55.803 0.235 0.000 0.904 486 Q CB 0.806 29.692 28.738 0.246 0.000 1.213 486 Q HN 0.417 nan 8.270 nan 0.000 0.428 487 I N 1.608 122.210 120.570 0.053 0.000 3.062 487 I HA 0.501 4.673 4.170 0.005 0.000 0.318 487 I C -0.663 175.479 176.117 0.042 0.000 1.026 487 I CA -0.428 60.937 61.300 0.109 0.000 1.096 487 I CB 1.899 39.933 38.000 0.057 0.000 1.348 487 I HN 0.755 nan 8.210 nan 0.000 0.543 488 S N 1.271 117.001 115.700 0.051 0.000 2.592 488 S HA 0.664 5.137 4.470 0.005 0.000 0.275 488 S C -0.303 174.309 174.600 0.020 0.000 1.169 488 S CA -0.625 57.595 58.200 0.033 0.000 0.958 488 S CB 1.888 65.119 63.200 0.051 0.000 1.095 488 S HN 0.912 nan 8.310 nan 0.000 0.471 498 N N 1.330 120.090 118.700 0.100 0.000 2.402 498 N HA 0.543 5.286 4.740 0.005 0.000 0.294 498 N C 0.782 176.296 175.510 0.006 0.000 1.203 498 N CA 0.321 53.397 53.050 0.044 0.000 0.838 498 N CB 2.027 40.521 38.487 0.012 0.000 1.306 498 N HN 0.071 nan 8.380 nan 0.000 0.510 499 A N 0.436 123.267 122.820 0.018 0.000 2.070 499 A HA -0.143 4.180 4.320 0.005 0.000 0.220 499 A C 1.217 178.802 177.584 0.003 0.000 1.159 499 A CA 1.342 53.381 52.037 0.004 0.000 0.656 499 A CB -0.452 18.425 19.000 -0.204 0.000 0.800 499 A HN 0.761 nan 8.150 nan 0.000 0.453 500 D N 0.060 120.392 120.400 -0.113 0.000 2.178 500 D HA -0.085 4.558 4.640 0.005 0.000 0.202 500 D C 1.501 177.709 176.300 -0.153 0.000 0.974 500 D CA 0.785 54.607 54.000 -0.297 0.000 0.841 500 D CB -0.186 40.082 40.800 -0.888 0.000 0.953 500 D HN 0.242 nan 8.370 nan 0.000 0.478 501 K N 0.411 120.675 120.400 -0.227 0.000 2.519 501 K HA -0.007 4.316 4.320 0.005 0.000 0.196 501 K C 1.815 178.340 176.600 -0.123 0.000 1.041 501 K CA 0.127 56.136 56.287 -0.463 0.000 0.954 501 K CB 0.041 32.188 32.500 -0.587 0.000 0.774 501 K HN 0.288 nan 8.250 nan 0.000 0.480 502 L N -0.006 121.206 121.223 -0.017 0.000 2.513 502 L HA 0.022 4.365 4.340 0.005 0.000 0.222 502 L C 1.067 177.969 176.870 0.053 0.000 1.096 502 L CA 0.005 54.864 54.840 0.031 0.000 0.857 502 L CB 0.284 42.389 42.059 0.077 0.000 1.026 502 L HN -0.055 nan 8.230 nan 0.000 0.469 503 T N -0.605 113.953 114.554 0.007 0.000 2.940 503 T HA -0.045 4.308 4.350 0.005 0.000 0.309 503 T C 1.312 175.986 174.700 -0.042 0.000 1.056 503 T CA 0.369 62.358 62.100 -0.186 0.000 1.137 503 T CB 0.862 69.335 68.868 -0.659 0.000 0.976 503 T HN 0.362 nan 8.240 nan 0.000 0.547 504 S N 3.009 118.673 115.700 -0.060 0.000 2.593 504 S HA 0.359 4.832 4.470 0.005 0.000 0.217 504 S C 0.865 175.526 174.600 0.100 0.000 0.966 504 S CA -0.193 58.013 58.200 0.011 0.000 0.914 504 S CB 0.021 63.177 63.200 -0.073 0.000 0.776 504 S HN 0.872 nan 8.310 nan 0.000 0.523 505 A N 1.571 124.438 122.820 0.078 0.000 2.371 505 A HA 0.583 4.905 4.320 0.005 0.000 0.257 505 A C 0.459 178.263 177.584 0.366 0.000 1.089 505 A CA -0.260 51.880 52.037 0.171 0.000 0.794 505 A CB 0.179 19.231 19.000 0.086 0.000 1.029 505 A HN 0.345 nan 8.150 nan 0.000 0.488 506 T N 1.518 116.197 114.554 0.209 0.000 2.934 506 T HA 0.256 4.608 4.350 0.005 0.000 0.283 506 T C 0.389 174.855 174.700 -0.389 0.000 1.005 506 T CA -0.520 61.577 62.100 -0.004 0.000 1.041 506 T CB 0.615 69.513 68.868 0.049 0.000 1.042 506 T HN 0.691 nan 8.240 nan 0.000 0.505 507 N N 2.143 120.249 118.700 -0.989 0.000 2.452 507 N HA 0.128 4.871 4.740 0.005 0.000 0.266 507 N C -1.828 173.347 175.510 -0.557 0.000 1.175 507 N CA -1.919 50.315 53.050 -1.361 0.000 0.945 507 N CB 1.169 38.843 38.487 -1.355 0.000 1.063 507 N HN 0.164 nan 8.380 nan 0.000 0.472 508 P HA -0.115 nan 4.420 nan 0.000 0.216 508 P C -0.087 177.093 177.300 -0.200 0.000 1.150 508 P CA 1.062 64.061 63.100 -0.168 0.000 0.837 508 P CB 0.137 31.812 31.700 -0.041 0.000 0.786 509 D N 0.304 120.564 120.400 -0.233 0.000 2.545 509 D HA -0.019 4.624 4.640 0.005 0.000 0.227 509 D C 0.298 176.411 176.300 -0.312 0.000 1.150 509 D CA 0.081 53.955 54.000 -0.210 0.000 1.046 509 D CB -0.217 40.496 40.800 -0.145 0.000 1.098 509 D HN 0.110 nan 8.370 nan 0.000 0.502 510 K N 1.270 121.421 120.400 -0.414 0.000 2.611 510 K HA -0.049 4.274 4.320 0.005 0.000 0.193 510 K C 1.380 177.757 176.600 -0.371 0.000 1.026 510 K CA 0.149 56.014 56.287 -0.703 0.000 1.063 510 K CB 0.488 32.519 32.500 -0.782 0.000 0.839 510 K HN 0.374 nan 8.250 nan 0.000 0.505 511 E N 1.740 121.805 120.200 -0.225 0.000 2.216 511 E HA -0.048 4.305 4.350 0.005 0.000 0.192 511 E C 0.385 176.926 176.600 -0.099 0.000 0.973 511 E CA 0.596 56.915 56.400 -0.134 0.000 0.851 511 E CB 0.401 30.044 29.700 -0.096 0.000 0.804 511 E HN 0.428 nan 8.360 nan 0.000 0.477 512 N N 0.219 118.859 118.700 -0.101 0.000 2.595 512 N HA 0.050 4.792 4.740 0.005 0.000 0.291 512 N C -1.062 174.409 175.510 -0.066 0.000 1.706 512 N CA -0.262 52.749 53.050 -0.065 0.000 0.867 512 N CB 1.070 39.533 38.487 -0.039 0.000 1.414 512 N HN -0.045 nan 8.380 nan 0.000 0.492 513 S N 0.028 115.671 115.700 -0.096 0.000 2.536 513 S HA 0.535 5.008 4.470 0.005 0.000 0.298 513 S C 0.004 174.531 174.600 -0.120 0.000 1.083 513 S CA -0.744 57.391 58.200 -0.107 0.000 0.995 513 S CB 2.182 65.288 63.200 -0.156 0.000 1.058 513 S HN 0.254 nan 8.310 nan 0.000 0.488 514 M N 2.811 122.240 119.600 -0.285 0.000 2.252 514 M HA 0.423 4.906 4.480 0.005 0.000 0.329 514 M C 0.058 176.235 176.300 -0.204 0.000 1.101 514 M CA 0.869 55.932 55.300 -0.394 0.000 1.117 514 M CB 0.381 32.366 32.600 -1.025 0.000 1.563 514 M HN 0.906 nan 8.290 nan 0.000 0.445 515 S N 4.313 119.918 115.700 -0.159 0.000 2.667 515 S HA 0.875 5.348 4.470 0.005 0.000 0.292 515 S C -1.448 173.071 174.600 -0.136 0.000 1.126 515 S CA -0.938 57.152 58.200 -0.182 0.000 0.881 515 S CB 1.033 64.101 63.200 -0.221 0.000 1.132 515 S HN 0.859 nan 8.310 nan 0.000 0.492 516 I N 1.343 121.824 120.570 -0.148 0.000 2.680 516 I HA 0.490 4.662 4.170 0.005 0.000 0.291 516 I C -1.348 174.723 176.117 -0.077 0.000 1.244 516 I CA -0.179 61.077 61.300 -0.074 0.000 1.042 516 I CB 2.056 40.027 38.000 -0.048 0.000 1.277 516 I HN 0.577 nan 8.210 nan 0.000 0.423 517 S N 7.769 123.444 115.700 -0.040 0.000 2.451 517 S HA 0.735 5.208 4.470 0.005 0.000 0.301 517 S C -0.499 174.082 174.600 -0.031 0.000 1.116 517 S CA -0.576 57.601 58.200 -0.038 0.000 1.093 517 S CB 1.137 64.315 63.200 -0.036 0.000 1.017 517 S HN 0.533 nan 8.310 nan 0.000 0.482 518 I N 0.823 121.379 120.570 -0.023 0.000 2.969 518 I HA 0.681 4.854 4.170 0.005 0.000 0.307 518 I C -1.695 174.406 176.117 -0.027 0.000 1.149 518 I CA -1.117 60.156 61.300 -0.044 0.000 1.008 518 I CB 1.823 39.805 38.000 -0.030 0.000 1.232 518 I HN 0.483 nan 8.210 nan 0.000 0.435 519 L N 3.988 125.144 121.223 -0.112 0.000 2.386 519 L HA 0.639 4.981 4.340 0.005 0.000 0.271 519 L C -1.832 175.025 176.870 -0.023 0.000 0.993 519 L CA -0.878 53.909 54.840 -0.088 0.000 0.819 519 L CB 2.059 43.962 42.059 -0.260 0.000 1.294 519 L HN 0.573 nan 8.230 nan 0.000 0.414 520 L N 4.127 125.424 121.223 0.123 0.000 2.406 520 L HA 0.549 4.892 4.340 0.005 0.000 0.272 520 L C -1.259 175.734 176.870 0.206 0.000 0.980 520 L CA -0.154 54.789 54.840 0.171 0.000 0.831 520 L CB 1.750 43.916 42.059 0.177 0.000 1.253 520 L HN 0.459 nan 8.230 nan 0.000 0.406 521 D N 2.382 122.917 120.400 0.223 0.000 2.591 521 D HA 0.469 5.112 4.640 0.005 0.000 0.222 521 D C -1.270 175.085 176.300 0.091 0.000 1.360 521 D CA -0.195 53.913 54.000 0.181 0.000 0.967 521 D CB 1.082 42.011 40.800 0.216 0.000 1.456 521 D HN 0.356 nan 8.370 nan 0.000 0.588 526 P HA 0.343 nan 4.420 nan 0.000 0.312 526 P C -0.062 177.317 177.300 0.132 0.000 1.307 526 P CA -0.507 62.654 63.100 0.101 0.000 0.738 526 P CB 1.556 33.291 31.700 0.058 0.000 1.422 527 I N -1.856 118.785 120.570 0.118 0.000 2.957 527 I HA 0.635 4.808 4.170 0.005 0.000 0.310 527 I C -0.655 175.536 176.117 0.123 0.000 1.063 527 I CA -1.155 60.244 61.300 0.166 0.000 1.033 527 I CB 1.558 39.739 38.000 0.302 0.000 1.230 527 I HN 0.609 nan 8.210 nan 0.000 0.447 545 A N 0.874 123.632 122.820 -0.103 0.000 2.353 545 A HA 0.374 4.697 4.320 0.005 0.000 0.218 545 A C 0.049 177.611 177.584 -0.037 0.000 1.760 545 A CA 0.911 52.911 52.037 -0.061 0.000 0.638 545 A CB 0.129 19.098 19.000 -0.052 0.000 1.280 545 A HN 0.327 nan 8.150 nan 0.000 0.511 546 E N -2.144 118.051 120.200 -0.008 0.000 3.786 546 E HA 0.156 4.508 4.350 0.005 0.000 0.367 546 E C -0.704 175.933 176.600 0.062 0.000 1.072 546 E CA 0.067 56.481 56.400 0.023 0.000 0.852 546 E CB -0.311 29.393 29.700 0.007 0.000 1.231 546 E HN 0.614 nan 8.360 nan 0.000 0.510 547 M N 6.101 125.770 119.600 0.115 0.000 2.226 547 M HA 0.058 4.540 4.480 0.005 0.000 0.352 547 M C -1.629 174.661 176.300 -0.016 0.000 1.226 547 M CA -0.340 55.010 55.300 0.083 0.000 0.943 547 M CB 0.454 32.972 32.600 -0.137 0.000 1.805 547 M HN 0.467 nan 8.290 nan 0.000 0.465 548 P HA -0.097 nan 4.420 nan 0.000 0.213 548 P C -0.246 177.021 177.300 -0.055 0.000 1.149 548 P CA 1.268 64.349 63.100 -0.032 0.000 0.829 548 P CB 0.249 31.929 31.700 -0.033 0.000 0.548 549 N N -4.601 114.060 118.700 -0.065 0.000 2.128 549 N HA -0.053 4.690 4.740 0.005 0.000 0.276 549 N C 1.374 176.843 175.510 -0.067 0.000 1.008 549 N CA 0.060 53.075 53.050 -0.057 0.000 0.762 549 N CB -0.815 37.652 38.487 -0.034 0.000 1.811 549 N HN -0.112 nan 8.380 nan 0.000 0.722 550 Q N 0.868 120.631 119.800 -0.062 0.000 2.123 550 Q HA 0.186 4.529 4.340 0.005 0.000 0.199 550 Q C 1.588 177.535 176.000 -0.088 0.000 0.966 550 Q CA 1.519 57.287 55.803 -0.059 0.000 0.845 550 Q CB -0.265 28.449 28.738 -0.040 0.000 0.907 550 Q HN 0.545 nan 8.270 nan 0.000 0.439 551 L N -0.126 121.019 121.223 -0.130 0.000 2.109 551 L HA -0.018 4.325 4.340 0.005 0.000 0.207 551 L C 2.608 179.317 176.870 -0.268 0.000 1.086 551 L CA 1.271 55.987 54.840 -0.206 0.000 0.760 551 L CB -0.395 41.487 42.059 -0.295 0.000 0.910 551 L HN 0.218 nan 8.230 nan 0.000 0.437 552 R N 0.720 121.068 120.500 -0.254 0.000 2.193 552 R HA -0.184 4.159 4.340 0.005 0.000 0.229 552 R C 2.105 178.328 176.300 -0.128 0.000 1.110 552 R CA 1.318 57.286 56.100 -0.220 0.000 0.988 552 R CB -0.011 30.198 30.300 -0.152 0.000 0.871 552 R HN 0.198 nan 8.270 nan 0.000 0.458 553 K N -0.216 120.124 120.400 -0.100 0.000 2.366 553 K HA -0.053 4.270 4.320 0.005 0.000 0.198 553 K C 1.777 178.341 176.600 -0.061 0.000 1.044 553 K CA 0.859 57.109 56.287 -0.061 0.000 0.973 553 K CB 0.285 32.756 32.500 -0.048 0.000 0.767 553 K HN 0.342 nan 8.250 nan 0.000 0.475 554 Q N 0.227 119.973 119.800 -0.089 0.000 2.165 554 Q HA -0.022 4.321 4.340 0.005 0.000 0.197 554 Q C 2.092 178.046 176.000 -0.076 0.000 0.952 554 Q CA 0.592 56.350 55.803 -0.074 0.000 0.848 554 Q CB 0.059 28.748 28.738 -0.082 0.000 0.931 554 Q HN 0.267 nan 8.270 nan 0.000 0.470 555 L N 1.284 122.434 121.223 -0.121 0.000 2.012 555 L HA -0.233 4.110 4.340 0.005 0.000 0.210 555 L C 1.935 178.771 176.870 -0.057 0.000 1.073 555 L CA 1.656 56.429 54.840 -0.111 0.000 0.748 555 L CB -0.137 41.807 42.059 -0.191 0.000 0.891 555 L HN 0.213 nan 8.230 nan 0.000 0.431 556 E N 0.255 120.432 120.200 -0.039 0.000 2.130 556 E HA -0.270 4.082 4.350 0.005 0.000 0.196 556 E C 2.143 178.752 176.600 0.015 0.000 0.998 556 E CA 1.207 57.619 56.400 0.020 0.000 0.806 556 E CB -0.320 29.400 29.700 0.034 0.000 0.738 556 E HN 0.726 nan 8.360 nan 0.000 0.459 557 A N 0.979 123.797 122.820 -0.005 0.000 2.070 557 A HA -0.138 4.184 4.320 0.005 0.000 0.220 557 A C 2.098 179.684 177.584 0.004 0.000 1.159 557 A CA 0.860 52.896 52.037 -0.002 0.000 0.656 557 A CB -0.417 18.577 19.000 -0.009 0.000 0.800 557 A HN 0.135 nan 8.150 nan 0.000 0.453 558 I N -0.677 119.894 120.570 0.002 0.000 2.193 558 I HA -0.191 3.982 4.170 0.005 0.000 0.240 558 I C 2.271 178.402 176.117 0.024 0.000 1.084 558 I CA 1.074 62.380 61.300 0.010 0.000 1.365 558 I CB -0.301 37.700 38.000 0.002 0.000 1.064 558 I HN 0.265 nan 8.210 nan 0.000 0.410 559 I N 1.132 121.722 120.570 0.033 0.000 2.185 559 I HA -0.302 3.870 4.170 0.005 0.000 0.246 559 I C 1.992 178.142 176.117 0.056 0.000 1.088 559 I CA 1.401 62.737 61.300 0.060 0.000 1.347 559 I CB -0.341 37.721 38.000 0.103 0.000 1.041 559 I HN 0.198 nan 8.210 nan 0.000 0.415 560 A N 0.361 123.205 122.820 0.040 0.000 2.543 560 A HA 0.199 4.521 4.320 0.005 0.000 0.258 560 A C 0.349 177.943 177.584 0.017 0.000 1.391 560 A CA 0.205 52.257 52.037 0.025 0.000 1.066 560 A CB -0.695 18.314 19.000 0.014 0.000 0.972 560 A HN 0.247 nan 8.150 nan 0.000 0.560 561 T N 0.750 115.318 114.554 0.024 0.000 2.885 561 T HA 0.433 4.786 4.350 0.005 0.000 0.285 561 T C -0.291 174.423 174.700 0.024 0.000 1.019 561 T CA -0.491 61.620 62.100 0.018 0.000 1.010 561 T CB 1.412 70.291 68.868 0.019 0.000 1.022 561 T HN 0.622 nan 8.240 nan 0.000 0.466 562 D N 2.067 122.475 120.400 0.014 0.000 2.364 562 D HA 0.056 4.699 4.640 0.005 0.000 0.236 562 D C -1.800 174.521 176.300 0.036 0.000 1.221 562 D CA -1.012 52.999 54.000 0.018 0.000 0.891 562 D CB 0.207 41.007 40.800 -0.001 0.000 1.190 562 D HN 0.119 nan 8.370 nan 0.000 0.449 563 P HA -0.013 nan 4.420 nan 0.000 0.219 563 P C 1.281 178.613 177.300 0.053 0.000 1.150 563 P CA 0.814 63.954 63.100 0.066 0.000 0.814 563 P CB 0.090 31.837 31.700 0.078 0.000 0.787 564 L N -1.524 119.725 121.223 0.043 0.000 2.456 564 L HA -0.052 4.290 4.340 0.005 0.000 0.224 564 L C 0.943 177.831 176.870 0.030 0.000 1.148 564 L CA 0.320 55.184 54.840 0.039 0.000 0.825 564 L CB -0.964 41.118 42.059 0.039 0.000 0.937 564 L HN -0.002 nan 8.230 nan 0.000 0.450 565 N N 1.529 120.244 118.700 0.026 0.000 2.401 565 N HA 0.145 4.888 4.740 0.005 0.000 0.255 565 N C -2.050 173.475 175.510 0.026 0.000 1.110 565 N CA -1.417 51.646 53.050 0.022 0.000 0.949 565 N CB 0.671 39.168 38.487 0.016 0.000 1.110 565 N HN -0.064 nan 8.380 nan 0.000 0.490 566 P HA 0.002 nan 4.420 nan 0.000 0.271 566 P C -0.392 176.921 177.300 0.021 0.000 1.238 566 P CA -0.014 63.099 63.100 0.021 0.000 0.794 566 P CB 1.141 32.852 31.700 0.018 0.000 0.959 567 L N -0.298 120.937 121.223 0.020 0.000 2.391 567 L HA 0.632 4.975 4.340 0.005 0.000 0.266 567 L C 0.828 177.707 176.870 0.014 0.000 1.035 567 L CA -0.452 54.400 54.840 0.019 0.000 0.877 567 L CB 1.552 43.626 42.059 0.025 0.000 1.504 567 L HN 0.559 nan 8.230 nan 0.000 0.503 568 T N -3.945 110.617 114.554 0.013 0.000 2.843 568 T HA 0.460 4.813 4.350 0.005 0.000 0.302 568 T C 0.431 175.136 174.700 0.008 0.000 1.232 568 T CA -0.155 61.950 62.100 0.009 0.000 1.009 568 T CB 1.442 70.316 68.868 0.010 0.000 1.254 568 T HN 0.568 nan 8.240 nan 0.000 0.504 569 A N 0.506 123.328 122.820 0.003 0.000 1.927 569 A HA -0.195 4.128 4.320 0.005 0.000 0.220 569 A C 2.149 179.742 177.584 0.014 0.000 1.185 569 A CA 2.627 54.664 52.037 0.000 0.000 0.639 569 A CB -1.191 17.806 19.000 -0.004 0.000 0.820 569 A HN 1.052 nan 8.150 nan 0.000 0.451 570 E N -0.372 119.840 120.200 0.020 0.000 2.028 570 E HA -0.198 4.154 4.350 0.005 0.000 0.190 570 E C 1.454 178.081 176.600 0.045 0.000 0.984 570 E CA 1.276 57.697 56.400 0.035 0.000 0.800 570 E CB -0.215 29.502 29.700 0.029 0.000 0.758 570 E HN 0.494 nan 8.360 nan 0.000 0.448 571 D N 0.772 121.192 120.400 0.032 0.000 2.116 571 D HA -0.190 4.453 4.640 0.005 0.000 0.193 571 D C 1.821 178.151 176.300 0.050 0.000 0.998 571 D CA 1.408 55.428 54.000 0.033 0.000 0.836 571 D CB -0.145 40.669 40.800 0.023 0.000 0.951 571 D HN 0.244 nan 8.370 nan 0.000 0.449 572 K N 0.461 120.887 120.400 0.043 0.000 2.002 572 K HA -0.128 4.195 4.320 0.005 0.000 0.209 572 K C 2.154 178.816 176.600 0.104 0.000 1.048 572 K CA 1.145 57.462 56.287 0.049 0.000 0.930 572 K CB -0.152 32.352 32.500 0.007 0.000 0.714 572 K HN 0.228 nan 8.250 nan 0.000 0.438 573 E N 0.901 121.160 120.200 0.097 0.000 2.160 573 E HA -0.174 4.178 4.350 0.005 0.000 0.195 573 E C 1.955 178.695 176.600 0.234 0.000 0.991 573 E CA 0.589 57.079 56.400 0.151 0.000 0.810 573 E CB -0.005 29.751 29.700 0.094 0.000 0.742 573 E HN 0.163 nan 8.360 nan 0.000 0.466 574 L N 0.918 122.261 121.223 0.200 0.000 2.023 574 L HA -0.132 4.210 4.340 0.005 0.000 0.205 574 L C 2.100 179.135 176.870 0.274 0.000 1.073 574 L CA 1.412 56.405 54.840 0.255 0.000 0.745 574 L CB -0.570 41.555 42.059 0.109 0.000 0.900 574 L HN 0.259 nan 8.230 nan 0.000 0.435 575 L N -1.142 120.173 121.223 0.153 0.000 2.131 575 L HA -0.294 4.049 4.340 0.005 0.000 0.210 575 L C 2.416 179.358 176.870 0.119 0.000 1.092 575 L CA 1.773 56.668 54.840 0.091 0.000 0.759 575 L CB -0.968 41.115 42.059 0.041 0.000 0.903 575 L HN 0.592 nan 8.230 nan 0.000 0.435 576 W N 0.318 121.607 121.300 -0.018 0.000 2.452 576 W HA -0.203 4.454 4.660 -0.005 0.000 0.313 576 W C 2.498 179.006 176.519 -0.019 0.000 1.176 576 W CA 1.225 58.526 57.345 -0.074 0.000 1.350 576 W CB -0.634 28.765 29.460 -0.103 0.000 1.148 576 W HN 0.269 nan 8.180 nan 0.000 0.498 577 H N -0.906 118.047 119.070 -0.196 0.000 2.426 577 H HA -0.212 4.340 4.556 -0.006 0.000 0.298 577 H C 0.497 175.425 175.328 -0.667 0.000 1.107 577 H CA 1.452 57.218 56.048 -0.469 0.000 1.298 577 H CB -0.364 29.175 29.762 -0.373 0.000 1.377 577 H HN -0.015 nan 8.280 nan 0.000 0.519 578 F N 0.816 120.657 119.950 -0.181 0.000 2.925 578 F HA 0.198 4.728 4.527 0.006 0.000 0.302 578 F C 1.451 177.091 175.800 -0.267 0.000 1.189 578 F CA -0.458 57.410 58.000 -0.221 0.000 1.346 578 F CB 0.214 39.108 39.000 -0.177 0.000 0.954 578 F HN 0.115 nan 8.300 nan 0.000 0.506 579 R N -1.498 118.788 120.500 -0.357 0.000 2.293 579 R HA -0.171 4.172 4.340 0.005 0.000 0.219 579 R C 0.605 176.588 176.300 -0.529 0.000 1.091 579 R CA 1.560 57.343 56.100 -0.528 0.000 1.004 579 R CB -0.721 29.012 30.300 -0.945 0.000 0.865 579 R HN 0.365 nan 8.270 nan 0.000 0.469 580 Y N 0.272 120.436 120.300 -0.226 0.000 2.510 580 Y HA 0.085 4.636 4.550 0.002 0.000 0.273 580 Y C 2.224 178.068 175.900 -0.093 0.000 1.119 580 Y CA 0.401 58.413 58.100 -0.148 0.000 1.286 580 Y CB 0.348 38.727 38.460 -0.135 0.000 1.061 580 Y HN 0.110 nan 8.280 nan 0.000 0.542 581 E N 0.403 120.619 120.200 0.027 0.000 2.038 581 E HA -0.117 4.235 4.350 0.005 0.000 0.190 581 E C 2.257 178.743 176.600 -0.190 0.000 0.967 581 E CA 1.557 57.939 56.400 -0.030 0.000 0.816 581 E CB -0.328 29.370 29.700 -0.003 0.000 0.784 581 E HN 0.189 nan 8.360 nan 0.000 0.456 582 S N 0.553 116.117 115.700 -0.226 0.000 2.465 582 S HA -0.170 4.303 4.470 0.005 0.000 0.241 582 S C 1.914 176.398 174.600 -0.193 0.000 1.000 582 S CA 1.100 59.122 58.200 -0.296 0.000 0.964 582 S CB -0.400 62.673 63.200 -0.212 0.000 0.763 582 S HN 0.306 nan 8.310 nan 0.000 0.512 583 L N 1.565 122.687 121.223 -0.169 0.000 2.109 583 L HA 0.153 4.495 4.340 0.005 0.000 0.207 583 L C 1.998 178.994 176.870 0.211 0.000 1.086 583 L CA 1.594 56.374 54.840 -0.100 0.000 0.760 583 L CB -0.636 41.326 42.059 -0.162 0.000 0.910 583 L HN 0.153 nan 8.230 nan 0.000 0.437 584 K N -0.727 119.790 120.400 0.194 0.000 2.574 584 K HA -0.034 4.288 4.320 0.005 0.000 0.193 584 K C -0.281 176.626 176.600 0.512 0.000 1.035 584 K CA 0.507 56.993 56.287 0.331 0.000 0.982 584 K CB -0.414 32.269 32.500 0.304 0.000 0.795 584 K HN 0.569 nan 8.250 nan 0.000 0.491 585 H N -0.064 119.121 119.070 0.192 0.000 2.792 585 H HA 0.104 4.664 4.556 0.007 0.000 0.298 585 H C -2.114 173.378 175.328 0.275 0.000 1.042 585 H CA -2.451 53.699 56.048 0.170 0.000 1.300 585 H CB 1.679 31.503 29.762 0.103 0.000 1.431 585 H HN -0.131 nan 8.280 nan 0.000 0.496 586 P HA -0.250 nan 4.420 nan 0.000 0.215 586 P C 1.539 178.967 177.300 0.215 0.000 1.163 586 P CA 1.173 64.328 63.100 0.090 0.000 0.894 586 P CB 0.338 32.063 31.700 0.042 0.000 0.791 587 K N -0.790 119.720 120.400 0.183 0.000 2.520 587 K HA -0.048 4.275 4.320 0.005 0.000 0.197 587 K C 1.649 178.365 176.600 0.192 0.000 1.044 587 K CA 1.170 57.555 56.287 0.164 0.000 0.938 587 K CB -0.813 31.751 32.500 0.107 0.000 0.767 587 K HN 0.160 nan 8.250 nan 0.000 0.481 588 A N -0.705 122.271 122.820 0.260 0.000 2.308 588 A HA 0.043 4.365 4.320 0.005 0.000 0.217 588 A C 1.346 178.997 177.584 0.112 0.000 1.216 588 A CA -0.109 52.026 52.037 0.164 0.000 0.864 588 A CB -0.141 18.918 19.000 0.098 0.000 0.902 588 A HN 0.087 nan 8.150 nan 0.000 0.499 589 Y N 0.871 121.118 120.300 -0.088 0.000 2.128 589 Y HA -0.101 4.452 4.550 0.005 0.000 0.284 589 Y C -0.311 175.499 175.900 -0.149 0.000 1.154 589 Y CA 1.953 59.905 58.100 -0.247 0.000 1.149 589 Y CB -1.782 36.589 38.460 -0.148 0.000 0.976 589 Y HN 0.277 nan 8.280 nan 0.000 0.505 590 P HA -0.177 nan 4.420 nan 0.000 0.215 590 P C 1.200 178.673 177.300 0.289 0.000 1.157 590 P CA 2.348 65.553 63.100 0.175 0.000 0.868 590 P CB -0.018 31.805 31.700 0.205 0.000 0.788 591 K N -1.159 119.334 120.400 0.155 0.000 2.148 591 K HA -0.090 4.233 4.320 0.005 0.000 0.204 591 K C 1.959 178.580 176.600 0.036 0.000 1.050 591 K CA 0.779 57.134 56.287 0.114 0.000 0.942 591 K CB -0.795 31.747 32.500 0.069 0.000 0.724 591 K HN 0.034 nan 8.250 nan 0.000 0.446 592 L N 0.473 121.618 121.223 -0.129 0.000 2.046 592 L HA -0.075 4.268 4.340 0.005 0.000 0.208 592 L C 1.646 178.357 176.870 -0.265 0.000 1.077 592 L CA 1.682 56.339 54.840 -0.305 0.000 0.747 592 L CB -0.393 41.268 42.059 -0.663 0.000 0.896 592 L HN 0.083 nan 8.230 nan 0.000 0.432 593 F N -1.244 118.780 119.950 0.125 0.000 2.502 593 F HA -0.046 4.487 4.527 0.010 0.000 0.298 593 F C 2.230 178.287 175.800 0.428 0.000 1.111 593 F CA 0.655 58.823 58.000 0.280 0.000 1.445 593 F CB -0.299 38.902 39.000 0.335 0.000 1.081 593 F HN 0.022 nan 8.300 nan 0.000 0.558 594 S N -0.888 115.080 115.700 0.447 0.000 2.527 594 S HA -0.088 4.385 4.470 0.005 0.000 0.222 594 S C 1.829 176.502 174.600 0.122 0.000 0.985 594 S CA 0.907 59.284 58.200 0.295 0.000 0.921 594 S CB -0.213 63.106 63.200 0.198 0.000 0.772 594 S HN 0.383 nan 8.310 nan 0.000 0.529 595 S N 0.385 116.112 115.700 0.045 0.000 2.557 595 S HA 0.265 4.738 4.470 0.005 0.000 0.223 595 S C 0.254 174.678 174.600 -0.292 0.000 0.969 595 S CA -0.454 57.705 58.200 -0.069 0.000 0.927 595 S CB -0.075 63.124 63.200 -0.001 0.000 0.806 595 S HN 0.077 nan 8.310 nan 0.000 0.489 596 V N 2.520 122.195 119.914 -0.399 0.000 2.546 596 V HA 0.287 4.410 4.120 0.005 0.000 0.284 596 V C 0.259 175.781 176.094 -0.953 0.000 1.050 596 V CA -0.408 61.330 62.300 -0.937 0.000 0.981 596 V CB 1.286 32.356 31.823 -1.255 0.000 0.990 596 V HN 0.352 nan 8.190 nan 0.000 0.474 597 K N 4.635 124.474 120.400 -0.935 0.000 2.184 597 K HA 0.122 4.445 4.320 0.005 0.000 0.259 597 K C 0.187 176.434 176.600 -0.588 0.000 1.119 597 K CA -0.008 55.920 56.287 -0.599 0.000 0.991 597 K CB 0.342 32.559 32.500 -0.471 0.000 1.522 597 K HN 0.708 nan 8.250 nan 0.000 0.405 598 W N 1.005 122.090 121.300 -0.358 0.000 2.421 598 W HA -0.073 4.592 4.660 0.007 0.000 0.270 598 W C 1.865 178.172 176.519 -0.353 0.000 1.233 598 W CA 0.292 57.364 57.345 -0.455 0.000 1.226 598 W CB 0.040 28.982 29.460 -0.863 0.000 1.121 598 W HN 0.621 nan 8.180 nan 0.000 0.579 599 G N -0.223 108.516 108.800 -0.101 0.000 3.186 599 G HA2 -0.010 3.953 3.960 0.005 0.000 0.214 599 G HA3 -0.010 3.953 3.960 0.005 0.000 0.214 599 G C 0.376 175.223 174.900 -0.087 0.000 1.222 599 G CA 0.056 45.109 45.100 -0.077 0.000 0.921 599 G HN -0.013 nan 8.290 nan 0.000 0.504 600 Q N -0.345 119.381 119.800 -0.124 0.000 2.295 600 Q HA 0.137 4.480 4.340 0.005 0.000 0.259 600 Q C 0.834 176.774 176.000 -0.100 0.000 0.966 600 Q CA -0.538 55.199 55.803 -0.110 0.000 0.763 600 Q CB 2.018 30.669 28.738 -0.144 0.000 1.283 600 Q HN 0.387 nan 8.270 nan 0.000 0.445 601 Q N 2.792 122.565 119.800 -0.046 0.000 2.062 601 Q HA -0.259 4.083 4.340 0.005 0.000 0.209 601 Q C 0.839 176.819 176.000 -0.033 0.000 0.996 601 Q CA 2.482 58.275 55.803 -0.017 0.000 0.859 601 Q CB 0.129 28.877 28.738 0.016 0.000 0.920 601 Q HN 0.513 nan 8.270 nan 0.000 0.415 602 E N 0.190 120.370 120.200 -0.034 0.000 2.049 602 E HA -0.181 4.172 4.350 0.005 0.000 0.198 602 E C 2.120 178.695 176.600 -0.042 0.000 1.007 602 E CA 1.520 57.908 56.400 -0.021 0.000 0.809 602 E CB -0.391 29.299 29.700 -0.017 0.000 0.749 602 E HN 0.429 nan 8.360 nan 0.000 0.450 603 I N 0.961 121.460 120.570 -0.118 0.000 2.179 603 I HA -0.194 3.979 4.170 0.005 0.000 0.242 603 I C 2.633 178.588 176.117 -0.270 0.000 1.088 603 I CA 0.753 61.929 61.300 -0.206 0.000 1.357 603 I CB -1.256 36.473 38.000 -0.451 0.000 1.051 603 I HN -0.075 nan 8.210 nan 0.000 0.409 604 V N 1.388 121.109 119.914 -0.321 0.000 2.332 604 V HA -0.288 3.835 4.120 0.005 0.000 0.248 604 V C 2.813 178.696 176.094 -0.352 0.000 1.055 604 V CA 1.776 63.824 62.300 -0.421 0.000 1.038 604 V CB -1.172 30.496 31.823 -0.258 0.000 0.651 604 V HN 0.471 nan 8.190 nan 0.000 0.450 605 A N -0.212 122.544 122.820 -0.106 0.000 1.908 605 A HA -0.264 4.059 4.320 0.005 0.000 0.218 605 A C 2.296 179.924 177.584 0.073 0.000 1.181 605 A CA 2.118 54.184 52.037 0.049 0.000 0.627 605 A CB -0.419 18.623 19.000 0.069 0.000 0.818 605 A HN 0.576 nan 8.150 nan 0.000 0.445 606 K N -1.015 119.420 120.400 0.059 0.000 2.025 606 K HA -0.088 4.235 4.320 0.005 0.000 0.207 606 K C 2.148 178.815 176.600 0.112 0.000 1.049 606 K CA 1.689 58.045 56.287 0.115 0.000 0.933 606 K CB -0.578 32.043 32.500 0.201 0.000 0.714 606 K HN 0.449 nan 8.250 nan 0.000 0.438 607 T N 0.946 115.552 114.554 0.087 0.000 2.665 607 T HA -0.204 4.149 4.350 0.005 0.000 0.268 607 T C 1.692 176.458 174.700 0.109 0.000 1.035 607 T CA 1.493 63.630 62.100 0.060 0.000 1.151 607 T CB -0.510 68.231 68.868 -0.212 0.000 0.862 607 T HN 0.301 nan 8.240 nan 0.000 0.438 608 Y N 1.241 121.610 120.300 0.116 0.000 2.483 608 Y HA -0.126 4.428 4.550 0.006 0.000 0.291 608 Y C 2.754 178.704 175.900 0.084 0.000 1.143 608 Y CA 0.390 58.554 58.100 0.106 0.000 1.289 608 Y CB -0.145 38.379 38.460 0.108 0.000 0.983 608 Y HN 0.345 nan 8.280 nan 0.000 0.556 609 Q N -0.434 119.496 119.800 0.216 0.000 2.354 609 Q HA -0.051 4.291 4.340 0.005 0.000 0.203 609 Q C 2.175 178.245 176.000 0.117 0.000 0.933 609 Q CA 0.236 56.132 55.803 0.155 0.000 0.901 609 Q CB 0.240 29.060 28.738 0.136 0.000 1.007 609 Q HN 0.527 nan 8.270 nan 0.000 0.495 610 L N 0.407 121.665 121.223 0.059 0.000 2.027 610 L HA -0.152 4.190 4.340 0.005 0.000 0.206 610 L C 2.018 178.911 176.870 0.038 0.000 1.074 610 L CA 1.109 55.908 54.840 -0.068 0.000 0.745 610 L CB -0.116 41.837 42.059 -0.177 0.000 0.898 610 L HN 0.318 nan 8.230 nan 0.000 0.433 611 L N -0.557 120.737 121.223 0.119 0.000 2.083 611 L HA -0.206 4.137 4.340 0.005 0.000 0.209 611 L C 2.838 179.788 176.870 0.134 0.000 1.083 611 L CA 0.972 55.896 54.840 0.139 0.000 0.752 611 L CB -0.843 41.312 42.059 0.159 0.000 0.899 611 L HN 0.297 nan 8.230 nan 0.000 0.433 612 A N -0.138 122.761 122.820 0.131 0.000 1.954 612 A HA -0.208 4.115 4.320 0.005 0.000 0.222 612 A C 1.262 178.916 177.584 0.117 0.000 1.199 612 A CA 1.610 53.715 52.037 0.114 0.000 0.657 612 A CB -0.433 18.633 19.000 0.110 0.000 0.823 612 A HN 0.287 nan 8.150 nan 0.000 0.463 613 R N -0.359 120.220 120.500 0.131 0.000 2.275 613 R HA 0.411 4.753 4.340 0.005 0.000 0.326 613 R C -0.697 175.707 176.300 0.174 0.000 0.973 613 R CA -0.177 56.006 56.100 0.139 0.000 0.854 613 R CB 0.773 31.157 30.300 0.139 0.000 1.156 613 R HN 0.458 nan 8.270 nan 0.000 0.487 614 R N 1.382 121.999 120.500 0.195 0.000 2.997 614 R HA 0.079 4.421 4.340 0.005 0.000 0.358 614 R C 1.072 177.522 176.300 0.250 0.000 1.191 614 R CA -0.428 55.840 56.100 0.281 0.000 1.113 614 R CB 0.588 31.095 30.300 0.345 0.000 1.433 614 R HN 0.480 nan 8.270 nan 0.000 0.584 615 E N 1.418 121.732 120.200 0.189 0.000 2.005 615 E HA -0.160 4.193 4.350 0.005 0.000 0.198 615 E C 1.561 178.248 176.600 0.145 0.000 1.010 615 E CA 1.832 58.315 56.400 0.139 0.000 0.825 615 E CB 0.033 29.801 29.700 0.113 0.000 0.769 615 E HN 0.147 nan 8.360 nan 0.000 0.456 616 V N 1.482 121.505 119.914 0.182 0.000 2.282 616 V HA -0.259 3.863 4.120 0.005 0.000 0.249 616 V C 2.314 178.505 176.094 0.162 0.000 1.057 616 V CA 2.304 64.706 62.300 0.171 0.000 1.032 616 V CB -0.885 31.077 31.823 0.232 0.000 0.645 616 V HN 0.481 nan 8.190 nan 0.000 0.447 617 W N 1.246 122.564 121.300 0.030 0.000 2.380 617 W HA -0.151 4.512 4.660 0.004 0.000 0.317 617 W C 2.162 178.643 176.519 -0.063 0.000 1.196 617 W CA 1.781 59.058 57.345 -0.112 0.000 1.307 617 W CB -0.384 29.000 29.460 -0.127 0.000 1.157 617 W HN 0.328 nan 8.180 nan 0.000 0.483 618 D N 0.395 120.860 120.400 0.108 0.000 2.265 618 D HA -0.205 4.438 4.640 0.005 0.000 0.208 618 D C 1.846 178.084 176.300 -0.104 0.000 0.977 618 D CA 1.468 55.449 54.000 -0.032 0.000 0.871 618 D CB -0.348 40.513 40.800 0.101 0.000 0.925 618 D HN 0.279 nan 8.370 nan 0.000 0.485 619 Q N 0.169 119.928 119.800 -0.068 0.000 2.396 619 Q HA 0.046 4.388 4.340 0.005 0.000 0.209 619 Q C 0.233 176.162 176.000 -0.119 0.000 0.906 619 Q CA -0.144 55.617 55.803 -0.070 0.000 0.927 619 Q CB 0.406 29.134 28.738 -0.017 0.000 1.069 619 Q HN 0.165 nan 8.270 nan 0.000 0.523 620 S N -0.359 115.232 115.700 -0.183 0.000 2.584 620 S HA 0.541 5.014 4.470 0.005 0.000 0.270 620 S C 0.307 174.759 174.600 -0.247 0.000 1.346 620 S CA -0.428 57.647 58.200 -0.209 0.000 1.018 620 S CB 1.130 64.179 63.200 -0.252 0.000 0.899 620 S HN 0.299 nan 8.310 nan 0.000 0.542 621 A N 1.489 124.195 122.820 -0.190 0.000 2.425 621 A HA 0.423 4.746 4.320 0.005 0.000 0.242 621 A C 0.157 177.602 177.584 -0.232 0.000 1.077 621 A CA -0.622 51.311 52.037 -0.173 0.000 0.781 621 A CB -0.226 18.703 19.000 -0.119 0.000 1.020 621 A HN 1.044 nan 8.150 nan 0.000 0.494 622 L N 1.740 122.838 121.223 -0.207 0.000 2.477 622 L HA 0.181 4.524 4.340 0.005 0.000 0.272 622 L C -0.251 176.510 176.870 -0.183 0.000 1.157 622 L CA 0.659 55.361 54.840 -0.229 0.000 0.889 622 L CB 0.072 42.028 42.059 -0.170 0.000 1.158 622 L HN 0.634 nan 8.230 nan 0.000 0.473 623 D N 4.206 124.480 120.400 -0.209 0.000 2.461 623 D HA 0.134 4.777 4.640 0.005 0.000 0.240 623 D C 0.910 177.136 176.300 -0.124 0.000 1.094 623 D CA -0.283 53.639 54.000 -0.131 0.000 0.868 623 D CB 1.645 42.381 40.800 -0.107 0.000 1.062 623 D HN 0.485 nan 8.370 nan 0.000 0.530 624 V N 3.615 123.440 119.914 -0.148 0.000 2.407 624 V HA -0.152 3.971 4.120 0.005 0.000 0.248 624 V C 2.462 178.471 176.094 -0.141 0.000 1.055 624 V CA 2.144 64.307 62.300 -0.229 0.000 1.049 624 V CB -0.393 31.159 31.823 -0.452 0.000 0.662 624 V HN 0.678 nan 8.190 nan 0.000 0.455 625 G N 0.011 108.772 108.800 -0.065 0.000 2.545 625 G HA2 -0.260 3.703 3.960 0.005 0.000 0.217 625 G HA3 -0.260 3.703 3.960 0.005 0.000 0.217 625 G C 1.573 176.487 174.900 0.024 0.000 1.218 625 G CA 1.046 46.144 45.100 -0.003 0.000 0.787 625 G HN 0.360 nan 8.290 nan 0.000 0.571 626 L N 0.677 121.925 121.223 0.042 0.000 2.017 626 L HA -0.081 4.261 4.340 0.005 0.000 0.208 626 L C 2.956 179.901 176.870 0.125 0.000 1.073 626 L CA 2.456 57.357 54.840 0.103 0.000 0.745 626 L CB -1.290 40.852 42.059 0.138 0.000 0.894 626 L HN 0.232 nan 8.230 nan 0.000 0.432 627 T N 0.019 114.624 114.554 0.086 0.000 2.622 627 T HA -0.235 4.117 4.350 0.005 0.000 0.266 627 T C 2.004 176.727 174.700 0.039 0.000 1.047 627 T CA 1.721 63.872 62.100 0.086 0.000 1.159 627 T CB -0.092 68.760 68.868 -0.026 0.000 0.863 627 T HN 0.183 nan 8.240 nan 0.000 0.422 628 M N 1.272 120.870 119.600 -0.004 0.000 2.195 628 M HA -0.123 4.360 4.480 0.005 0.000 0.260 628 M C 2.216 178.554 176.300 0.064 0.000 1.066 628 M CA 1.478 56.789 55.300 0.018 0.000 1.089 628 M CB -1.238 31.361 32.600 -0.002 0.000 1.377 628 M HN 0.421 nan 8.290 nan 0.000 0.411 629 Q N -0.127 119.719 119.800 0.076 0.000 2.167 629 Q HA -0.061 4.281 4.340 0.005 0.000 0.202 629 Q C 1.865 177.965 176.000 0.167 0.000 0.970 629 Q CA 0.923 56.806 55.803 0.132 0.000 0.855 629 Q CB -0.166 28.655 28.738 0.138 0.000 0.911 629 Q HN 0.515 nan 8.270 nan 0.000 0.438 630 L N 0.261 121.479 121.223 -0.009 0.000 2.599 630 L HA 0.021 4.364 4.340 0.005 0.000 0.230 630 L C 1.337 178.236 176.870 0.047 0.000 1.141 630 L CA 0.219 54.918 54.840 -0.234 0.000 0.877 630 L CB 0.072 41.927 42.059 -0.341 0.000 1.009 630 L HN 0.196 nan 8.230 nan 0.000 0.447 631 L N -0.529 120.765 121.223 0.119 0.000 2.808 631 L HA 0.147 4.490 4.340 0.005 0.000 0.246 631 L C 0.478 177.431 176.870 0.138 0.000 1.153 631 L CA -0.395 54.526 54.840 0.135 0.000 0.956 631 L CB -0.117 42.013 42.059 0.118 0.000 1.270 631 L HN 0.268 nan 8.230 nan 0.000 0.528 632 D N -0.839 119.588 120.400 0.044 0.000 2.478 632 D HA -0.031 4.612 4.640 0.005 0.000 0.274 632 D C 1.481 177.357 176.300 -0.707 0.000 1.234 632 D CA -0.331 53.427 54.000 -0.404 0.000 1.069 632 D CB 0.406 41.012 40.800 -0.323 0.000 1.113 632 D HN 0.146 nan 8.370 nan 0.000 0.571 633 C N -1.436 117.075 119.300 -1.315 0.000 2.443 633 C HA 0.080 4.543 4.460 0.005 0.000 0.290 633 C C 1.321 176.003 174.990 -0.514 0.000 1.476 633 C CA -0.026 58.472 59.018 -0.866 0.000 1.772 633 C CB -1.974 25.326 27.740 -0.734 0.000 1.714 633 C HN 0.481 nan 8.230 nan 0.000 0.562 634 N N -0.407 117.936 118.700 -0.595 0.000 2.373 634 N HA 0.222 4.965 4.740 0.005 0.000 0.181 634 N C -0.430 174.461 175.510 -1.032 0.000 1.082 634 N CA 0.380 52.960 53.050 -0.784 0.000 0.885 634 N CB 0.005 37.932 38.487 -0.934 0.000 0.977 634 N HN 0.582 nan 8.380 nan 0.000 0.462 635 F N -0.265 119.572 119.950 -0.188 0.000 2.366 635 F HA 0.381 4.909 4.527 0.002 0.000 0.366 635 F C 0.783 176.401 175.800 -0.303 0.000 1.096 635 F CA -0.694 57.176 58.000 -0.216 0.000 1.060 635 F CB 1.688 40.609 39.000 -0.132 0.000 1.282 635 F HN -0.119 nan 8.300 nan 0.000 0.450 636 S N -0.441 115.017 115.700 -0.403 0.000 2.502 636 S HA -0.049 4.423 4.470 0.005 0.000 0.215 636 S C 0.207 174.569 174.600 -0.396 0.000 1.009 636 S CA -0.233 57.673 58.200 -0.490 0.000 0.908 636 S CB -0.124 62.565 63.200 -0.852 0.000 0.801 636 S HN 0.627 nan 8.310 nan 0.000 0.505 637 D N 2.970 123.118 120.400 -0.420 0.000 2.417 637 D HA -0.011 4.631 4.640 0.005 0.000 0.250 637 D C 1.180 177.437 176.300 -0.072 0.000 1.166 637 D CA -0.035 53.829 54.000 -0.228 0.000 0.881 637 D CB 0.804 41.322 40.800 -0.468 0.000 1.164 637 D HN 0.459 nan 8.370 nan 0.000 0.467 638 E N 3.035 123.252 120.200 0.029 0.000 2.268 638 E HA -0.198 4.155 4.350 0.005 0.000 0.195 638 E C 0.736 177.345 176.600 0.015 0.000 0.995 638 E CA 0.526 56.946 56.400 0.034 0.000 0.836 638 E CB -0.094 29.645 29.700 0.065 0.000 0.763 638 E HN 0.379 nan 8.360 nan 0.000 0.491 639 N N 1.141 119.866 118.700 0.043 0.000 2.216 639 N HA -0.079 4.663 4.740 0.005 0.000 0.183 639 N C 2.042 177.513 175.510 -0.065 0.000 1.017 639 N CA 1.220 54.281 53.050 0.019 0.000 0.861 639 N CB -0.046 38.481 38.487 0.067 0.000 0.986 639 N HN 0.094 nan 8.380 nan 0.000 0.428 640 V N 2.247 122.074 119.914 -0.146 0.000 2.237 640 V HA -0.209 3.914 4.120 0.005 0.000 0.245 640 V C 2.378 178.297 176.094 -0.292 0.000 1.046 640 V CA 1.554 63.591 62.300 -0.438 0.000 1.007 640 V CB -0.520 30.959 31.823 -0.574 0.000 0.638 640 V HN 0.236 nan 8.190 nan 0.000 0.445 641 R N 0.430 120.831 120.500 -0.165 0.000 2.103 641 R HA -0.214 4.129 4.340 0.005 0.000 0.242 641 R C 2.426 178.698 176.300 -0.046 0.000 1.142 641 R CA 1.586 57.638 56.100 -0.080 0.000 0.960 641 R CB -0.820 29.473 30.300 -0.013 0.000 0.858 641 R HN 0.554 nan 8.270 nan 0.000 0.439 642 A N 2.214 125.014 122.820 -0.033 0.000 1.892 642 A HA -0.207 4.115 4.320 0.005 0.000 0.218 642 A C 2.271 179.867 177.584 0.020 0.000 1.188 642 A CA 1.925 53.962 52.037 0.000 0.000 0.631 642 A CB -0.843 18.162 19.000 0.007 0.000 0.822 642 A HN 0.537 nan 8.150 nan 0.000 0.447 643 I N -2.752 117.825 120.570 0.012 0.000 2.454 643 I HA -0.073 4.099 4.170 0.005 0.000 0.254 643 I C 2.329 178.604 176.117 0.263 0.000 1.156 643 I CA 1.452 62.837 61.300 0.142 0.000 1.433 643 I CB -0.579 37.432 38.000 0.018 0.000 1.082 643 I HN 0.225 nan 8.210 nan 0.000 0.432 644 A N 1.962 124.853 122.820 0.118 0.000 1.865 644 A HA -0.113 4.209 4.320 0.005 0.000 0.217 644 A C 2.361 179.969 177.584 0.041 0.000 1.191 644 A CA 2.402 54.530 52.037 0.152 0.000 0.623 644 A CB -1.186 17.831 19.000 0.030 0.000 0.826 644 A HN 0.378 nan 8.150 nan 0.000 0.444 645 V N 0.132 120.022 119.914 -0.040 0.000 2.594 645 V HA -0.298 3.825 4.120 0.005 0.000 0.253 645 V C 2.592 178.555 176.094 -0.218 0.000 1.069 645 V CA 2.088 64.266 62.300 -0.202 0.000 1.082 645 V CB -1.060 30.672 31.823 -0.152 0.000 0.680 645 V HN 0.755 nan 8.190 nan 0.000 0.469 646 Q N 0.183 119.956 119.800 -0.045 0.000 2.135 646 Q HA -0.244 4.098 4.340 0.005 0.000 0.204 646 Q C 2.139 178.096 176.000 -0.072 0.000 0.981 646 Q CA 1.460 57.255 55.803 -0.012 0.000 0.856 646 Q CB 0.078 28.882 28.738 0.109 0.000 0.902 646 Q HN 0.473 nan 8.270 nan 0.000 0.425 647 K N 0.154 120.499 120.400 -0.091 0.000 2.186 647 K HA 0.001 4.324 4.320 0.005 0.000 0.202 647 K C 2.051 178.538 176.600 -0.188 0.000 1.052 647 K CA 0.536 56.713 56.287 -0.183 0.000 0.965 647 K CB -0.180 32.155 32.500 -0.274 0.000 0.746 647 K HN 0.311 nan 8.250 nan 0.000 0.457 648 L N 1.361 122.424 121.223 -0.267 0.000 2.083 648 L HA -0.140 4.202 4.340 0.005 0.000 0.209 648 L C 2.095 178.814 176.870 -0.252 0.000 1.083 648 L CA 1.030 55.665 54.840 -0.342 0.000 0.752 648 L CB -0.458 41.150 42.059 -0.752 0.000 0.899 648 L HN 0.144 nan 8.230 nan 0.000 0.433 649 E N -0.263 119.764 120.200 -0.289 0.000 2.233 649 E HA -0.247 4.105 4.350 0.005 0.000 0.199 649 E C 2.061 178.702 176.600 0.069 0.000 1.004 649 E CA 1.332 57.732 56.400 0.000 0.000 0.819 649 E CB -0.209 29.487 29.700 -0.006 0.000 0.738 649 E HN 0.263 nan 8.360 nan 0.000 0.478 650 S N -0.219 115.478 115.700 -0.006 0.000 2.671 650 S HA 0.105 4.578 4.470 0.005 0.000 0.220 650 S C 0.526 175.146 174.600 0.032 0.000 0.951 650 S CA -0.240 57.962 58.200 0.002 0.000 0.932 650 S CB -0.137 63.031 63.200 -0.054 0.000 0.777 650 S HN 0.040 nan 8.310 nan 0.000 0.508 651 L N 2.859 124.136 121.223 0.091 0.000 2.307 651 L HA 0.440 4.782 4.340 0.005 0.000 0.282 651 L C 0.307 177.261 176.870 0.139 0.000 1.051 651 L CA -0.635 54.277 54.840 0.120 0.000 0.804 651 L CB 1.345 43.512 42.059 0.180 0.000 1.197 651 L HN 0.371 nan 8.230 nan 0.000 0.431 652 E N 0.970 121.237 120.200 0.111 0.000 2.313 652 E HA 0.150 4.503 4.350 0.005 0.000 0.272 652 E C -0.331 176.347 176.600 0.131 0.000 1.038 652 E CA -0.720 55.744 56.400 0.106 0.000 0.863 652 E CB 1.226 30.974 29.700 0.080 0.000 1.060 652 E HN 0.543 nan 8.360 nan 0.000 0.402 653 D N 2.149 122.621 120.400 0.120 0.000 2.472 653 D HA -0.342 4.300 4.640 0.005 0.000 0.194 653 D C 1.218 177.617 176.300 0.164 0.000 1.023 653 D CA 2.363 56.434 54.000 0.120 0.000 0.869 653 D CB -0.480 40.382 40.800 0.104 0.000 0.997 653 D HN 0.782 nan 8.370 nan 0.000 0.463 654 D N -0.126 120.411 120.400 0.228 0.000 2.191 654 D HA -0.181 4.461 4.640 0.005 0.000 0.195 654 D C 1.301 177.803 176.300 0.337 0.000 1.003 654 D CA 1.435 55.641 54.000 0.342 0.000 0.867 654 D CB -0.129 40.869 40.800 0.330 0.000 0.926 654 D HN 0.240 nan 8.370 nan 0.000 0.450 655 D N -0.961 119.569 120.400 0.217 0.000 2.249 655 D HA -0.034 4.609 4.640 0.005 0.000 0.205 655 D C 2.040 178.536 176.300 0.326 0.000 0.962 655 D CA 0.275 54.408 54.000 0.221 0.000 0.860 655 D CB 0.326 41.235 40.800 0.181 0.000 0.955 655 D HN 0.198 nan 8.370 nan 0.000 0.505 656 V N 1.171 121.238 119.914 0.254 0.000 2.871 656 V HA -0.100 4.022 4.120 0.005 0.000 0.256 656 V C 2.437 178.635 176.094 0.174 0.000 1.082 656 V CA 0.699 63.143 62.300 0.239 0.000 1.105 656 V CB -0.160 31.757 31.823 0.156 0.000 0.713 656 V HN 0.158 nan 8.190 nan 0.000 0.473 657 L N -1.011 120.291 121.223 0.132 0.000 2.179 657 L HA -0.064 4.278 4.340 0.005 0.000 0.208 657 L C 2.448 179.273 176.870 -0.074 0.000 1.096 657 L CA 1.147 55.986 54.840 -0.000 0.000 0.779 657 L CB -0.529 41.493 42.059 -0.063 0.000 0.922 657 L HN 0.354 nan 8.230 nan 0.000 0.443 658 H N -1.833 117.165 119.070 -0.120 0.000 2.491 658 H HA -0.105 4.454 4.556 0.004 0.000 0.290 658 H C 0.930 175.925 175.328 -0.555 0.000 1.050 658 H CA 1.495 57.321 56.048 -0.370 0.000 1.309 658 H CB 0.094 29.542 29.762 -0.524 0.000 1.392 658 H HN 0.330 nan 8.280 nan 0.000 0.554 659 Y N -2.060 118.309 120.300 0.115 0.000 2.471 659 Y HA 0.076 4.629 4.550 0.005 0.000 0.249 659 Y C 1.719 177.666 175.900 0.078 0.000 1.116 659 Y CA -0.372 57.773 58.100 0.076 0.000 1.240 659 Y CB 0.340 38.855 38.460 0.092 0.000 1.251 659 Y HN 0.035 nan 8.280 nan 0.000 0.527 660 L N 0.628 121.980 121.223 0.215 0.000 2.030 660 L HA -0.296 4.047 4.340 0.005 0.000 0.222 660 L C 2.201 179.208 176.870 0.227 0.000 1.082 660 L CA 1.866 56.842 54.840 0.227 0.000 0.785 660 L CB -0.939 41.254 42.059 0.224 0.000 0.895 660 L HN 0.335 nan 8.230 nan 0.000 0.439 661 L N -0.524 120.777 121.223 0.129 0.000 1.990 661 L HA -0.272 4.071 4.340 0.005 0.000 0.213 661 L C 2.578 179.380 176.870 -0.113 0.000 1.072 661 L CA 2.073 56.780 54.840 -0.222 0.000 0.755 661 L CB -0.867 40.867 42.059 -0.540 0.000 0.889 661 L HN 0.494 nan 8.230 nan 0.000 0.432 662 Q N -0.800 118.987 119.800 -0.021 0.000 2.123 662 Q HA -0.137 4.205 4.340 0.005 0.000 0.199 662 Q C 2.413 178.458 176.000 0.076 0.000 0.966 662 Q CA 1.481 57.298 55.803 0.023 0.000 0.845 662 Q CB -0.348 28.440 28.738 0.084 0.000 0.907 662 Q HN 0.542 nan 8.270 nan 0.000 0.439 663 L N 0.320 121.623 121.223 0.134 0.000 2.012 663 L HA -0.197 4.145 4.340 0.005 0.000 0.210 663 L C 2.476 179.423 176.870 0.128 0.000 1.073 663 L CA 1.027 55.964 54.840 0.161 0.000 0.748 663 L CB -0.607 41.590 42.059 0.229 0.000 0.891 663 L HN 0.044 nan 8.230 nan 0.000 0.431 664 V N -0.931 119.043 119.914 0.099 0.000 2.427 664 V HA -0.250 3.873 4.120 0.005 0.000 0.248 664 V C 2.493 178.591 176.094 0.008 0.000 1.051 664 V CA 1.388 63.728 62.300 0.065 0.000 1.048 664 V CB -0.509 31.335 31.823 0.036 0.000 0.666 664 V HN 0.471 nan 8.190 nan 0.000 0.456 665 Q N -0.012 119.750 119.800 -0.063 0.000 2.224 665 Q HA -0.043 4.300 4.340 0.005 0.000 0.203 665 Q C 2.324 178.213 176.000 -0.184 0.000 0.970 665 Q CA 1.568 57.289 55.803 -0.137 0.000 0.865 665 Q CB -0.603 28.044 28.738 -0.151 0.000 0.922 665 Q HN 0.658 nan 8.270 nan 0.000 0.445 666 A N 0.153 122.951 122.820 -0.036 0.000 2.216 666 A HA -0.031 4.292 4.320 0.005 0.000 0.214 666 A C 2.129 179.698 177.584 -0.025 0.000 1.160 666 A CA 0.585 52.648 52.037 0.043 0.000 0.725 666 A CB -0.200 18.910 19.000 0.184 0.000 0.784 666 A HN 0.177 nan 8.150 nan 0.000 0.472 667 V N -0.147 119.744 119.914 -0.038 0.000 3.217 667 V HA -0.148 3.975 4.120 0.005 0.000 0.264 667 V C 2.063 178.009 176.094 -0.247 0.000 1.135 667 V CA 1.702 63.980 62.300 -0.037 0.000 1.142 667 V CB -0.513 31.368 31.823 0.096 0.000 0.754 667 V HN 0.557 nan 8.190 nan 0.000 0.484 668 K N -0.425 119.655 120.400 -0.534 0.000 2.365 668 K HA 0.001 4.324 4.320 0.005 0.000 0.199 668 K C 1.719 177.971 176.600 -0.580 0.000 1.045 668 K CA 1.173 56.892 56.287 -0.948 0.000 0.962 668 K CB -0.122 31.533 32.500 -1.407 0.000 0.759 668 K HN 0.476 nan 8.250 nan 0.000 0.469 669 F N 1.594 121.455 119.950 -0.149 0.000 2.569 669 F HA 0.033 4.564 4.527 0.007 0.000 0.295 669 F C 0.847 176.588 175.800 -0.098 0.000 1.115 669 F CA -0.283 57.654 58.000 -0.105 0.000 1.450 669 F CB 0.253 39.202 39.000 -0.085 0.000 1.107 669 F HN -0.168 nan 8.300 nan 0.000 0.563 670 E N 2.876 123.111 120.200 0.059 0.000 2.480 670 E HA -0.039 4.313 4.350 0.005 0.000 0.258 670 E C -1.476 175.083 176.600 -0.069 0.000 0.984 670 E CA -1.111 55.297 56.400 0.014 0.000 0.930 670 E CB 0.389 30.106 29.700 0.030 0.000 0.936 670 E HN 0.106 nan 8.360 nan 0.000 0.466 671 P HA -0.112 nan 4.420 nan 0.000 0.219 671 P C -0.108 176.862 177.300 -0.549 0.000 1.150 671 P CA 1.255 64.118 63.100 -0.395 0.000 0.814 671 P CB 0.231 31.592 31.700 -0.565 0.000 0.787 672 Y N -1.911 118.297 120.300 -0.153 0.000 2.528 672 Y HA 0.280 4.833 4.550 0.004 0.000 0.335 672 Y C 2.389 178.185 175.900 -0.173 0.000 1.093 672 Y CA -0.856 57.111 58.100 -0.222 0.000 1.134 672 Y CB 0.573 38.953 38.460 -0.134 0.000 1.253 672 Y HN -0.161 nan 8.280 nan 0.000 0.478 673 H N -0.163 118.984 119.070 0.128 0.000 2.276 673 H HA -0.104 4.455 4.556 0.005 0.000 0.301 673 H C 0.075 175.438 175.328 0.059 0.000 1.073 673 H CA 1.434 57.507 56.048 0.040 0.000 1.311 673 H CB -0.220 29.543 29.762 0.001 0.000 1.379 673 H HN 0.607 nan 8.280 nan 0.000 0.494 674 D N 1.225 121.753 120.400 0.215 0.000 2.308 674 D HA 0.217 4.859 4.640 0.005 0.000 0.251 674 D C -0.423 175.955 176.300 0.131 0.000 1.127 674 D CA -0.161 53.926 54.000 0.145 0.000 0.876 674 D CB 0.699 41.578 40.800 0.131 0.000 1.176 674 D HN 0.311 nan 8.370 nan 0.000 0.446 675 S N 1.795 117.565 115.700 0.116 0.000 2.588 675 S HA 0.616 5.089 4.470 0.005 0.000 0.269 675 S C 0.878 175.545 174.600 0.112 0.000 1.157 675 S CA -0.411 57.856 58.200 0.111 0.000 0.824 675 S CB 0.964 64.233 63.200 0.114 0.000 1.126 675 S HN 0.460 nan 8.310 nan 0.000 0.464 676 A N 0.898 123.778 122.820 0.101 0.000 1.884 676 A HA -0.105 4.217 4.320 0.005 0.000 0.219 676 A C 2.057 179.733 177.584 0.153 0.000 1.197 676 A CA 2.180 54.281 52.037 0.106 0.000 0.637 676 A CB -1.143 17.899 19.000 0.069 0.000 0.827 676 A HN 1.145 nan 8.150 nan 0.000 0.450 677 L N -0.378 120.932 121.223 0.144 0.000 2.012 677 L HA -0.105 4.237 4.340 0.005 0.000 0.210 677 L C 2.726 179.735 176.870 0.231 0.000 1.073 677 L CA 2.416 57.376 54.840 0.199 0.000 0.748 677 L CB -1.092 41.059 42.059 0.153 0.000 0.891 677 L HN 0.392 nan 8.230 nan 0.000 0.431 678 A N -0.520 122.399 122.820 0.165 0.000 1.845 678 A HA -0.207 4.116 4.320 0.005 0.000 0.215 678 A C 2.281 179.949 177.584 0.140 0.000 1.195 678 A CA 1.665 53.787 52.037 0.142 0.000 0.616 678 A CB -0.582 18.486 19.000 0.114 0.000 0.832 678 A HN 0.440 nan 8.150 nan 0.000 0.443 679 R N -1.300 119.285 120.500 0.141 0.000 2.119 679 R HA -0.191 4.152 4.340 0.005 0.000 0.246 679 R C 1.873 178.271 176.300 0.163 0.000 1.146 679 R CA 1.700 57.878 56.100 0.130 0.000 0.962 679 R CB -1.382 28.993 30.300 0.124 0.000 0.863 679 R HN 0.666 nan 8.270 nan 0.000 0.442 680 F N 1.159 121.146 119.950 0.063 0.000 2.186 680 F HA -0.061 4.469 4.527 0.005 0.000 0.299 680 F C 2.018 177.859 175.800 0.068 0.000 1.090 680 F CA 1.024 59.062 58.000 0.063 0.000 1.307 680 F CB -0.217 38.820 39.000 0.062 0.000 1.019 680 F HN -0.117 nan 8.300 nan 0.000 0.489 681 L N -0.351 120.828 121.223 -0.073 0.000 2.044 681 L HA -0.179 4.164 4.340 0.005 0.000 0.205 681 L C 2.580 179.375 176.870 -0.125 0.000 1.075 681 L CA 0.653 55.391 54.840 -0.170 0.000 0.747 681 L CB -0.848 41.218 42.059 0.012 0.000 0.903 681 L HN 0.226 nan 8.230 nan 0.000 0.435 682 L N 0.502 121.716 121.223 -0.015 0.000 2.012 682 L HA -0.261 4.082 4.340 0.005 0.000 0.210 682 L C 2.469 179.360 176.870 0.035 0.000 1.073 682 L CA 2.066 56.934 54.840 0.047 0.000 0.748 682 L CB -0.416 41.686 42.059 0.071 0.000 0.891 682 L HN 0.305 nan 8.230 nan 0.000 0.431 683 K N -0.724 119.667 120.400 -0.014 0.000 2.001 683 K HA -0.133 4.189 4.320 0.005 0.000 0.208 683 K C 1.980 178.551 176.600 -0.049 0.000 1.048 683 K CA 1.074 57.352 56.287 -0.015 0.000 0.932 683 K CB -0.185 32.319 32.500 0.005 0.000 0.715 683 K HN 0.168 nan 8.250 nan 0.000 0.437 684 R N 0.531 120.924 120.500 -0.179 0.000 2.159 684 R HA -0.075 4.268 4.340 0.005 0.000 0.237 684 R C 2.275 178.545 176.300 -0.050 0.000 1.131 684 R CA 1.402 57.399 56.100 -0.172 0.000 0.982 684 R CB -1.229 28.835 30.300 -0.393 0.000 0.868 684 R HN 0.448 nan 8.270 nan 0.000 0.453 685 G N 0.947 109.738 108.800 -0.016 0.000 2.434 685 G HA2 -0.183 3.779 3.960 0.005 0.000 0.214 685 G HA3 -0.183 3.779 3.960 0.005 0.000 0.214 685 G C 1.591 176.667 174.900 0.294 0.000 1.202 685 G CA 0.324 45.476 45.100 0.086 0.000 0.788 685 G HN 0.224 nan 8.290 nan 0.000 0.539 686 L N 0.094 121.471 121.223 0.257 0.000 2.079 686 L HA -0.047 4.296 4.340 0.005 0.000 0.210 686 L C 2.844 179.766 176.870 0.085 0.000 1.081 686 L CA 1.280 56.211 54.840 0.153 0.000 0.752 686 L CB -0.359 41.711 42.059 0.018 0.000 0.896 686 L HN 0.187 nan 8.230 nan 0.000 0.433 687 R N 0.248 120.795 120.500 0.077 0.000 2.280 687 R HA -0.059 4.284 4.340 0.005 0.000 0.207 687 R C 0.297 176.732 176.300 0.225 0.000 1.043 687 R CA 0.468 56.616 56.100 0.080 0.000 1.006 687 R CB 0.154 30.482 30.300 0.046 0.000 0.885 687 R HN 0.306 nan 8.270 nan 0.000 0.467 688 N N 0.002 118.868 118.700 0.277 0.000 2.406 688 N HA 0.070 4.812 4.740 0.005 0.000 0.283 688 N C -0.719 174.900 175.510 0.181 0.000 1.074 688 N CA -0.382 52.802 53.050 0.224 0.000 0.916 688 N CB 1.859 40.410 38.487 0.106 0.000 1.639 688 N HN -0.095 nan 8.380 nan 0.000 0.485 689 K N 1.530 121.942 120.400 0.020 0.000 2.366 689 K HA 0.045 4.368 4.320 0.005 0.000 0.198 689 K C 1.658 178.168 176.600 -0.150 0.000 1.044 689 K CA 0.500 56.721 56.287 -0.109 0.000 0.973 689 K CB 0.624 32.895 32.500 -0.380 0.000 0.767 689 K HN 0.429 nan 8.250 nan 0.000 0.475 690 R N 1.373 121.777 120.500 -0.160 0.000 2.052 690 R HA 0.017 4.360 4.340 0.005 0.000 0.226 690 R C 2.177 178.455 176.300 -0.036 0.000 1.145 690 R CA 0.960 56.944 56.100 -0.193 0.000 0.952 690 R CB -0.134 30.000 30.300 -0.277 0.000 0.847 690 R HN 0.050 nan 8.270 nan 0.000 0.431 691 I N 0.400 120.960 120.570 -0.017 0.000 2.151 691 I HA -0.252 3.921 4.170 0.005 0.000 0.243 691 I C 2.402 178.473 176.117 -0.077 0.000 1.080 691 I CA 1.714 63.009 61.300 -0.008 0.000 1.339 691 I CB -0.746 37.239 38.000 -0.024 0.000 1.039 691 I HN 0.479 nan 8.210 nan 0.000 0.409 692 G N -0.525 108.247 108.800 -0.046 0.000 2.432 692 G HA2 -0.327 3.635 3.960 0.005 0.000 0.219 692 G HA3 -0.327 3.635 3.960 0.005 0.000 0.219 692 G C 1.455 176.250 174.900 -0.176 0.000 1.135 692 G CA 1.213 46.208 45.100 -0.174 0.000 0.767 692 G HN 0.458 nan 8.290 nan 0.000 0.550 693 H N -0.224 118.786 119.070 -0.102 0.000 2.326 693 H HA 0.041 4.599 4.556 0.004 0.000 0.301 693 H C 2.096 177.300 175.328 -0.206 0.000 1.081 693 H CA 1.510 57.508 56.048 -0.084 0.000 1.334 693 H CB -0.328 29.209 29.762 -0.376 0.000 1.385 693 H HN 0.364 nan 8.280 nan 0.000 0.504 694 F N -0.730 119.061 119.950 -0.265 0.000 2.325 694 F HA -0.067 4.463 4.527 0.005 0.000 0.299 694 F C 2.252 177.481 175.800 -0.951 0.000 1.090 694 F CA 0.375 57.966 58.000 -0.681 0.000 1.392 694 F CB -0.096 38.469 39.000 -0.726 0.000 1.053 694 F HN 0.235 nan 8.300 nan 0.000 0.521 695 L N -0.084 120.862 121.223 -0.463 0.000 2.017 695 L HA -0.210 4.132 4.340 0.005 0.000 0.208 695 L C 2.207 178.804 176.870 -0.454 0.000 1.073 695 L CA 1.656 56.236 54.840 -0.434 0.000 0.745 695 L CB -1.241 40.532 42.059 -0.478 0.000 0.894 695 L HN 0.178 nan 8.230 nan 0.000 0.432 696 F N -0.546 118.959 119.950 -0.741 0.000 2.043 696 F HA -0.335 4.195 4.527 0.005 0.000 0.297 696 F C 1.938 177.329 175.800 -0.682 0.000 1.118 696 F CA 2.445 59.946 58.000 -0.831 0.000 1.202 696 F CB -0.770 37.496 39.000 -1.223 0.000 0.965 696 F HN 0.171 nan 8.300 nan 0.000 0.482 697 W N -0.381 120.759 121.300 -0.265 0.000 2.388 697 W HA -0.097 4.566 4.660 0.004 0.000 0.294 697 W C 2.543 179.043 176.519 -0.031 0.000 1.212 697 W CA 1.213 58.458 57.345 -0.166 0.000 1.271 697 W CB -0.852 28.606 29.460 -0.003 0.000 1.126 697 W HN 0.039 nan 8.180 nan 0.000 0.535 698 F N -0.070 119.869 119.950 -0.018 0.000 2.102 698 F HA -0.244 4.286 4.527 0.005 0.000 0.298 698 F C 2.166 177.775 175.800 -0.319 0.000 1.105 698 F CA 0.647 58.570 58.000 -0.127 0.000 1.239 698 F CB -0.859 38.069 39.000 -0.120 0.000 0.991 698 F HN -0.189 nan 8.300 nan 0.000 0.474 699 L N -0.086 121.009 121.223 -0.214 0.000 2.056 699 L HA -0.204 4.138 4.340 0.005 0.000 0.207 699 L C 2.563 179.199 176.870 -0.391 0.000 1.078 699 L CA 1.175 55.763 54.840 -0.420 0.000 0.749 699 L CB -0.652 41.208 42.059 -0.332 0.000 0.901 699 L HN 0.074 nan 8.230 nan 0.000 0.433 700 R N -0.334 119.899 120.500 -0.446 0.000 2.105 700 R HA -0.191 4.152 4.340 0.005 0.000 0.239 700 R C 2.589 178.792 176.300 -0.163 0.000 1.135 700 R CA 1.602 57.461 56.100 -0.403 0.000 0.967 700 R CB -0.198 29.704 30.300 -0.664 0.000 0.861 700 R HN 0.179 nan 8.270 nan 0.000 0.442 701 S N 0.205 115.859 115.700 -0.077 0.000 2.374 701 S HA -0.156 4.317 4.470 0.005 0.000 0.227 701 S C 1.598 176.149 174.600 -0.081 0.000 1.037 701 S CA 1.443 59.633 58.200 -0.017 0.000 1.024 701 S CB -0.120 63.084 63.200 0.006 0.000 0.861 701 S HN 0.364 nan 8.310 nan 0.000 0.456 702 E N 0.704 120.784 120.200 -0.201 0.000 2.107 702 E HA 0.014 4.367 4.350 0.005 0.000 0.191 702 E C 2.039 178.633 176.600 -0.010 0.000 0.982 702 E CA 0.737 57.035 56.400 -0.171 0.000 0.809 702 E CB -0.377 28.993 29.700 -0.550 0.000 0.756 702 E HN 0.603 nan 8.360 nan 0.000 0.459 703 I N 0.871 121.413 120.570 -0.046 0.000 2.315 703 I HA -0.164 4.009 4.170 0.005 0.000 0.248 703 I C 1.884 178.011 176.117 0.015 0.000 1.117 703 I CA 1.016 62.309 61.300 -0.010 0.000 1.404 703 I CB -0.119 37.849 38.000 -0.052 0.000 1.071 703 I HN -0.076 nan 8.210 nan 0.000 0.419 704 A N -0.656 122.176 122.820 0.020 0.000 2.359 704 A HA 0.053 4.376 4.320 0.005 0.000 0.240 704 A C 1.681 179.308 177.584 0.070 0.000 1.306 704 A CA 0.368 52.440 52.037 0.058 0.000 0.898 704 A CB -0.199 18.838 19.000 0.062 0.000 0.956 704 A HN 0.544 nan 8.150 nan 0.000 0.497 705 Q N -2.088 117.752 119.800 0.067 0.000 1.925 705 Q HA 0.119 4.462 4.340 0.005 0.000 0.211 705 Q C 0.009 176.068 176.000 0.099 0.000 0.698 705 Q CA 0.332 56.182 55.803 0.078 0.000 0.840 705 Q CB 0.627 29.399 28.738 0.058 0.000 1.218 705 Q HN 0.383 nan 8.270 nan 0.000 0.432 706 S N 0.634 116.398 115.700 0.107 0.000 2.488 706 S HA 0.368 4.841 4.470 0.005 0.000 0.310 706 S C 0.479 175.149 174.600 0.117 0.000 1.093 706 S CA -0.447 57.847 58.200 0.155 0.000 1.129 706 S CB 0.530 63.865 63.200 0.225 0.000 0.989 706 S HN 0.330 nan 8.310 nan 0.000 0.479 707 R N 2.109 122.670 120.500 0.102 0.000 2.096 707 R HA -0.086 4.257 4.340 0.005 0.000 0.235 707 R C 1.291 177.581 176.300 -0.017 0.000 1.127 707 R CA 1.770 57.924 56.100 0.090 0.000 0.968 707 R CB -0.321 30.113 30.300 0.223 0.000 0.861 707 R HN 0.739 nan 8.270 nan 0.000 0.440 708 H N -1.766 117.146 119.070 -0.264 0.000 2.387 708 H HA -0.140 4.419 4.556 0.005 0.000 0.299 708 H C 0.593 175.501 175.328 -0.701 0.000 1.099 708 H CA 1.587 57.240 56.048 -0.658 0.000 1.315 708 H CB 0.089 29.399 29.762 -0.753 0.000 1.380 708 H HN 0.263 nan 8.280 nan 0.000 0.513 709 Y N 0.043 120.337 120.300 -0.010 0.000 2.675 709 Y HA 0.055 4.608 4.550 0.004 0.000 0.248 709 Y C 1.870 177.687 175.900 -0.138 0.000 1.161 709 Y CA -0.423 57.600 58.100 -0.128 0.000 1.203 709 Y CB 0.421 38.791 38.460 -0.150 0.000 1.262 709 Y HN 0.243 nan 8.280 nan 0.000 0.544 710 Q N 0.502 120.284 119.800 -0.030 0.000 1.993 710 Q HA -0.248 4.095 4.340 0.005 0.000 0.202 710 Q C 1.292 177.051 176.000 -0.401 0.000 0.984 710 Q CA 1.983 57.674 55.803 -0.187 0.000 0.837 710 Q CB -0.527 27.975 28.738 -0.393 0.000 0.902 710 Q HN 0.511 nan 8.270 nan 0.000 0.423 711 Q N 0.580 120.065 119.800 -0.524 0.000 2.133 711 Q HA -0.231 4.111 4.340 0.005 0.000 0.208 711 Q C 2.291 178.103 176.000 -0.314 0.000 0.991 711 Q CA 2.041 57.602 55.803 -0.403 0.000 0.867 711 Q CB -0.339 28.254 28.738 -0.241 0.000 0.911 711 Q HN 0.425 nan 8.270 nan 0.000 0.417 712 R N 0.143 120.445 120.500 -0.330 0.000 2.062 712 R HA -0.095 4.247 4.340 0.005 0.000 0.229 712 R C 2.026 178.175 176.300 -0.252 0.000 1.128 712 R CA 1.135 57.028 56.100 -0.345 0.000 0.960 712 R CB -0.149 29.992 30.300 -0.265 0.000 0.855 712 R HN 0.211 nan 8.270 nan 0.000 0.432 713 F N 0.708 120.611 119.950 -0.078 0.000 2.084 713 F HA -0.125 4.404 4.527 0.004 0.000 0.296 713 F C 2.695 178.429 175.800 -0.111 0.000 1.111 713 F CA 0.839 58.787 58.000 -0.086 0.000 1.224 713 F CB -0.444 38.500 39.000 -0.094 0.000 0.991 713 F HN 0.191 nan 8.300 nan 0.000 0.471 714 A N 0.100 122.941 122.820 0.035 0.000 1.915 714 A HA -0.243 4.080 4.320 0.005 0.000 0.220 714 A C 2.264 179.856 177.584 0.013 0.000 1.198 714 A CA 2.331 54.372 52.037 0.006 0.000 0.647 714 A CB -1.391 17.620 19.000 0.018 0.000 0.825 714 A HN 0.218 nan 8.150 nan 0.000 0.456 715 V N -0.122 119.779 119.914 -0.021 0.000 2.594 715 V HA -0.227 3.896 4.120 0.005 0.000 0.253 715 V C 2.303 178.401 176.094 0.007 0.000 1.069 715 V CA 1.901 64.187 62.300 -0.022 0.000 1.082 715 V CB -0.514 31.258 31.823 -0.084 0.000 0.680 715 V HN 0.582 nan 8.190 nan 0.000 0.469 716 I N -1.222 119.365 120.570 0.029 0.000 2.584 716 I HA -0.150 4.023 4.170 0.005 0.000 0.255 716 I C 2.236 178.395 176.117 0.070 0.000 1.145 716 I CA 1.005 62.344 61.300 0.064 0.000 1.462 716 I CB -0.097 37.969 38.000 0.110 0.000 1.102 716 I HN 0.272 nan 8.210 nan 0.000 0.433 717 L N 0.867 122.114 121.223 0.040 0.000 2.005 717 L HA -0.225 4.118 4.340 0.005 0.000 0.207 717 L C 2.634 179.535 176.870 0.051 0.000 1.072 717 L CA 1.709 56.555 54.840 0.010 0.000 0.744 717 L CB -0.356 41.639 42.059 -0.106 0.000 0.895 717 L HN 0.298 nan 8.230 nan 0.000 0.433 718 E N 0.014 120.224 120.200 0.015 0.000 2.097 718 E HA -0.298 4.055 4.350 0.005 0.000 0.196 718 E C 1.972 178.583 176.600 0.018 0.000 1.000 718 E CA 1.488 57.891 56.400 0.003 0.000 0.804 718 E CB -0.044 29.655 29.700 -0.002 0.000 0.740 718 E HN 0.554 nan 8.360 nan 0.000 0.454 719 A N 0.145 122.987 122.820 0.038 0.000 1.933 719 A HA -0.201 4.122 4.320 0.005 0.000 0.218 719 A C 2.025 179.634 177.584 0.041 0.000 1.175 719 A CA 1.517 53.577 52.037 0.037 0.000 0.628 719 A CB -0.840 18.187 19.000 0.045 0.000 0.814 719 A HN 0.633 nan 8.150 nan 0.000 0.444 720 Y N 0.280 120.574 120.300 -0.010 0.000 2.220 720 Y HA -0.024 4.528 4.550 0.005 0.000 0.291 720 Y C 1.842 177.751 175.900 0.015 0.000 1.129 720 Y CA 1.443 59.540 58.100 -0.005 0.000 1.161 720 Y CB -0.303 38.138 38.460 -0.031 0.000 0.997 720 Y HN 0.175 nan 8.280 nan 0.000 0.522 721 L N 0.244 121.370 121.223 -0.162 0.000 2.191 721 L HA -0.191 4.152 4.340 0.005 0.000 0.212 721 L C 1.830 178.624 176.870 -0.128 0.000 1.103 721 L CA 1.332 56.065 54.840 -0.178 0.000 0.769 721 L CB -0.393 41.641 42.059 -0.041 0.000 0.908 721 L HN 0.169 nan 8.230 nan 0.000 0.438 722 R N -0.469 119.987 120.500 -0.073 0.000 2.363 722 R HA 0.073 4.416 4.340 0.005 0.000 0.236 722 R C 1.277 177.553 176.300 -0.041 0.000 0.966 722 R CA 0.431 56.544 56.100 0.021 0.000 1.100 722 R CB 0.147 30.482 30.300 0.057 0.000 1.125 722 R HN 0.313 nan 8.270 nan 0.000 0.514 723 G N -0.880 107.829 108.800 -0.152 0.000 3.155 723 G HA2 -0.106 3.857 3.960 0.005 0.000 0.193 723 G HA3 -0.106 3.857 3.960 0.005 0.000 0.193 723 G C 1.179 175.973 174.900 -0.177 0.000 1.215 723 G CA -0.051 44.959 45.100 -0.150 0.000 0.917 723 G HN 0.414 nan 8.290 nan 0.000 0.756 724 C N -0.142 118.995 119.300 -0.272 0.000 2.450 724 C HA 0.571 5.034 4.460 0.005 0.000 0.279 724 C C 1.560 176.621 174.990 0.118 0.000 1.335 724 C CA 0.550 59.514 59.018 -0.091 0.000 1.749 724 C CB -0.939 26.679 27.740 -0.204 0.000 1.963 724 C HN 1.350 nan 8.230 nan 0.000 0.501 725 G N -0.480 108.352 108.800 0.053 0.000 2.354 725 G HA2 0.251 4.214 3.960 0.005 0.000 0.582 725 G HA3 0.251 4.214 3.960 0.005 0.000 0.582 725 G C 0.217 175.160 174.900 0.071 0.000 1.316 725 G CA 0.454 45.603 45.100 0.082 0.000 0.995 725 G HN 0.707 nan 8.290 nan 0.000 0.573 726 T N -1.606 112.983 114.554 0.058 0.000 2.937 726 T HA 0.358 4.710 4.350 0.005 0.000 0.260 726 T C 2.639 177.370 174.700 0.053 0.000 1.051 726 T CA 2.114 64.253 62.100 0.064 0.000 1.141 726 T CB -0.341 68.548 68.868 0.035 0.000 0.879 726 T HN 1.855 nan 8.240 nan 0.000 0.459 727 A N 3.114 125.947 122.820 0.021 0.000 1.841 727 A HA -0.041 4.282 4.320 0.005 0.000 0.216 727 A C 2.520 180.068 177.584 -0.060 0.000 1.199 727 A CA 2.049 54.084 52.037 -0.002 0.000 0.621 727 A CB -0.938 18.039 19.000 -0.038 0.000 0.835 727 A HN 0.388 nan 8.150 nan 0.000 0.445 728 M N -0.519 119.011 119.600 -0.117 0.000 2.103 728 M HA -0.226 4.257 4.480 0.005 0.000 0.255 728 M C 2.258 178.386 176.300 -0.286 0.000 1.074 728 M CA 1.607 56.728 55.300 -0.297 0.000 1.090 728 M CB -1.518 31.067 32.600 -0.025 0.000 1.325 728 M HN 0.440 nan 8.290 nan 0.000 0.403 729 L N -1.340 119.897 121.223 0.024 0.000 1.970 729 L HA -0.274 4.069 4.340 0.005 0.000 0.212 729 L C 2.654 179.543 176.870 0.031 0.000 1.071 729 L CA 1.894 56.803 54.840 0.115 0.000 0.751 729 L CB -1.120 41.021 42.059 0.136 0.000 0.889 729 L HN 0.336 nan 8.230 nan 0.000 0.432 730 H N 0.350 119.389 119.070 -0.051 0.000 2.357 730 H HA -0.236 4.323 4.556 0.005 0.000 0.296 730 H C 1.751 177.019 175.328 -0.100 0.000 1.108 730 H CA 2.340 58.356 56.048 -0.054 0.000 1.273 730 H CB -0.204 29.526 29.762 -0.053 0.000 1.367 730 H HN 0.332 nan 8.280 nan 0.000 0.498 731 D N -0.643 119.544 120.400 -0.355 0.000 2.077 731 D HA -0.123 4.519 4.640 0.005 0.000 0.196 731 D C 2.164 178.231 176.300 -0.389 0.000 0.986 731 D CA 1.570 55.286 54.000 -0.472 0.000 0.829 731 D CB -0.593 39.856 40.800 -0.586 0.000 0.983 731 D HN 0.434 nan 8.370 nan 0.000 0.453 732 F N 0.928 120.700 119.950 -0.296 0.000 2.161 732 F HA -0.204 4.326 4.527 0.005 0.000 0.300 732 F C 2.591 178.270 175.800 -0.202 0.000 1.089 732 F CA 1.052 58.781 58.000 -0.452 0.000 1.282 732 F CB -0.704 37.760 39.000 -0.895 0.000 1.010 732 F HN -0.059 nan 8.300 nan 0.000 0.485 733 T N -0.594 113.968 114.554 0.014 0.000 2.652 733 T HA -0.218 4.135 4.350 0.005 0.000 0.267 733 T C 1.928 176.629 174.700 0.003 0.000 1.039 733 T CA 1.305 63.420 62.100 0.024 0.000 1.153 733 T CB -0.370 68.509 68.868 0.019 0.000 0.863 733 T HN 0.169 nan 8.240 nan 0.000 0.428 734 Q N 1.262 121.007 119.800 -0.093 0.000 2.112 734 Q HA -0.156 4.187 4.340 0.005 0.000 0.206 734 Q C 2.421 178.422 176.000 0.001 0.000 0.987 734 Q CA 1.611 57.368 55.803 -0.076 0.000 0.858 734 Q CB -0.495 28.138 28.738 -0.176 0.000 0.905 734 Q HN 0.668 nan 8.270 nan 0.000 0.420 735 Q N -0.254 119.591 119.800 0.075 0.000 2.050 735 Q HA -0.098 4.244 4.340 0.005 0.000 0.202 735 Q C 2.283 178.442 176.000 0.265 0.000 0.980 735 Q CA 1.542 57.471 55.803 0.210 0.000 0.840 735 Q CB -0.042 28.974 28.738 0.464 0.000 0.898 735 Q HN 0.187 nan 8.270 nan 0.000 0.424 736 V N 1.067 121.159 119.914 0.297 0.000 2.407 736 V HA -0.283 3.839 4.120 0.005 0.000 0.248 736 V C 2.097 178.281 176.094 0.150 0.000 1.055 736 V CA 1.804 64.279 62.300 0.293 0.000 1.049 736 V CB -0.616 31.334 31.823 0.213 0.000 0.662 736 V HN 0.363 nan 8.190 nan 0.000 0.455 737 Q N -0.322 119.522 119.800 0.073 0.000 2.016 737 Q HA -0.154 4.188 4.340 0.005 0.000 0.200 737 Q C 2.429 178.411 176.000 -0.030 0.000 0.978 737 Q CA 1.891 57.708 55.803 0.022 0.000 0.833 737 Q CB -0.366 28.376 28.738 0.007 0.000 0.895 737 Q HN 0.538 nan 8.270 nan 0.000 0.427 738 V N 2.123 121.965 119.914 -0.120 0.000 2.282 738 V HA -0.300 3.823 4.120 0.005 0.000 0.249 738 V C 2.306 178.297 176.094 -0.172 0.000 1.057 738 V CA 2.161 64.298 62.300 -0.272 0.000 1.032 738 V CB -0.904 30.463 31.823 -0.760 0.000 0.645 738 V HN 0.492 nan 8.190 nan 0.000 0.447 739 I N -1.954 118.594 120.570 -0.036 0.000 2.315 739 I HA -0.098 4.074 4.170 0.005 0.000 0.248 739 I C 2.435 178.611 176.117 0.099 0.000 1.117 739 I CA 1.439 62.809 61.300 0.118 0.000 1.404 739 I CB -0.700 37.438 38.000 0.230 0.000 1.071 739 I HN 0.195 nan 8.210 nan 0.000 0.419 740 E N 2.566 122.813 120.200 0.079 0.000 2.021 740 E HA -0.258 4.094 4.350 0.005 0.000 0.200 740 E C 2.345 178.952 176.600 0.012 0.000 1.015 740 E CA 2.419 58.857 56.400 0.063 0.000 0.824 740 E CB -0.703 29.029 29.700 0.053 0.000 0.762 740 E HN 0.730 nan 8.360 nan 0.000 0.454 741 M N 0.382 119.968 119.600 -0.023 0.000 2.082 741 M HA -0.162 4.321 4.480 0.005 0.000 0.258 741 M C 2.539 178.772 176.300 -0.112 0.000 1.071 741 M CA 1.916 57.184 55.300 -0.053 0.000 1.103 741 M CB -1.016 31.552 32.600 -0.053 0.000 1.307 741 M HN -0.044 nan 8.290 nan 0.000 0.409 742 L N -0.189 120.907 121.223 -0.213 0.000 2.261 742 L HA -0.185 4.158 4.340 0.005 0.000 0.216 742 L C 2.762 179.376 176.870 -0.427 0.000 1.114 742 L CA 1.283 55.846 54.840 -0.463 0.000 0.777 742 L CB -0.741 40.778 42.059 -0.899 0.000 0.910 742 L HN 0.561 nan 8.230 nan 0.000 0.440 743 Q N -0.259 119.460 119.800 -0.134 0.000 2.302 743 Q HA -0.099 4.244 4.340 0.005 0.000 0.202 743 Q C 2.103 178.117 176.000 0.024 0.000 0.936 743 Q CA 0.638 56.478 55.803 0.062 0.000 0.886 743 Q CB 0.330 29.171 28.738 0.171 0.000 0.986 743 Q HN 0.452 nan 8.270 nan 0.000 0.487 744 K N -0.438 119.954 120.400 -0.013 0.000 2.057 744 K HA -0.080 4.242 4.320 0.005 0.000 0.206 744 K C 1.996 178.580 176.600 -0.026 0.000 1.050 744 K CA 1.283 57.563 56.287 -0.013 0.000 0.935 744 K CB 0.004 32.496 32.500 -0.015 0.000 0.715 744 K HN 0.020 nan 8.250 nan 0.000 0.439 745 V N 1.693 121.576 119.914 -0.053 0.000 2.287 745 V HA -0.265 3.857 4.120 0.005 0.000 0.248 745 V C 2.207 178.286 176.094 -0.025 0.000 1.053 745 V CA 2.203 64.473 62.300 -0.050 0.000 1.027 745 V CB -0.813 30.958 31.823 -0.086 0.000 0.646 745 V HN 0.399 nan 8.190 nan 0.000 0.447 746 T N 0.680 115.223 114.554 -0.017 0.000 2.635 746 T HA -0.207 4.146 4.350 0.005 0.000 0.267 746 T C 1.881 176.605 174.700 0.041 0.000 1.040 746 T CA 1.899 64.032 62.100 0.056 0.000 1.156 746 T CB -0.386 68.577 68.868 0.159 0.000 0.863 746 T HN 0.312 nan 8.240 nan 0.000 0.430 747 L N 0.675 121.899 121.223 0.001 0.000 2.046 747 L HA -0.106 4.237 4.340 0.005 0.000 0.208 747 L C 2.655 179.495 176.870 -0.050 0.000 1.077 747 L CA 1.163 55.958 54.840 -0.074 0.000 0.747 747 L CB -0.602 41.387 42.059 -0.117 0.000 0.896 747 L HN 0.215 nan 8.230 nan 0.000 0.432 748 D N 0.426 120.809 120.400 -0.027 0.000 2.087 748 D HA -0.198 4.445 4.640 0.005 0.000 0.192 748 D C 2.152 178.448 176.300 -0.007 0.000 0.993 748 D CA 1.544 55.534 54.000 -0.018 0.000 0.828 748 D CB -0.069 40.723 40.800 -0.013 0.000 0.968 748 D HN 0.142 nan 8.370 nan 0.000 0.448 749 I N 1.427 122.000 120.570 0.004 0.000 2.194 749 I HA -0.257 3.916 4.170 0.005 0.000 0.246 749 I C 2.359 178.488 176.117 0.021 0.000 1.093 749 I CA 1.207 62.517 61.300 0.017 0.000 1.355 749 I CB -0.449 37.570 38.000 0.032 0.000 1.046 749 I HN -0.021 nan 8.210 nan 0.000 0.413 750 K N -0.150 120.263 120.400 0.022 0.000 2.147 750 K HA -0.151 4.172 4.320 0.005 0.000 0.205 750 K C 2.305 178.910 176.600 0.008 0.000 1.049 750 K CA 1.516 57.819 56.287 0.027 0.000 0.936 750 K CB -0.033 32.486 32.500 0.031 0.000 0.722 750 K HN 0.222 nan 8.250 nan 0.000 0.446 751 S N 0.673 116.369 115.700 -0.008 0.000 2.345 751 S HA 0.018 4.490 4.470 0.005 0.000 0.219 751 S C 0.793 175.392 174.600 -0.002 0.000 1.031 751 S CA 0.571 58.765 58.200 -0.009 0.000 0.984 751 S CB 0.018 63.208 63.200 -0.018 0.000 0.874 751 S HN 0.225 nan 8.310 nan 0.000 0.451 752 L N 2.215 123.439 121.223 0.001 0.000 2.416 752 L HA 0.267 4.609 4.340 0.005 0.000 0.243 752 L C -0.080 176.796 176.870 0.009 0.000 1.373 752 L CA -0.042 54.800 54.840 0.005 0.000 1.227 752 L CB -0.220 41.843 42.059 0.005 0.000 1.428 752 L HN 0.059 nan 8.230 nan 0.000 0.425 753 S N 0.607 116.311 115.700 0.007 0.000 2.269 753 S HA 0.402 4.875 4.470 0.005 0.000 0.310 753 S C -0.234 174.364 174.600 -0.003 0.000 0.761 753 S CA -0.560 57.644 58.200 0.008 0.000 0.849 753 S CB 0.259 63.469 63.200 0.017 0.000 1.204 753 S HN 0.459 nan 8.310 nan 0.000 0.443 754 A N 3.091 125.906 122.820 -0.009 0.000 2.366 754 A HA 0.499 4.822 4.320 0.005 0.000 0.250 754 A C 1.310 178.859 177.584 -0.059 0.000 1.099 754 A CA 0.051 52.074 52.037 -0.025 0.000 0.794 754 A CB 0.079 19.066 19.000 -0.020 0.000 1.056 754 A HN 0.812 nan 8.150 nan 0.000 0.499 755 E N 0.381 120.533 120.200 -0.080 0.000 2.130 755 E HA -0.181 4.172 4.350 0.005 0.000 0.196 755 E C 0.699 177.128 176.600 -0.284 0.000 0.998 755 E CA 1.239 57.550 56.400 -0.149 0.000 0.806 755 E CB -0.258 29.368 29.700 -0.123 0.000 0.738 755 E HN 0.602 nan 8.360 nan 0.000 0.459 756 K N 1.619 121.901 120.400 -0.197 0.000 2.361 756 K HA -0.054 4.269 4.320 0.005 0.000 0.283 756 K C -0.868 175.672 176.600 -0.100 0.000 1.078 756 K CA -0.146 56.030 56.287 -0.184 0.000 1.041 756 K CB -0.251 32.242 32.500 -0.012 0.000 0.932 756 K HN -0.170 nan 8.250 nan 0.000 0.462 757 Y N 3.454 123.766 120.300 0.021 0.000 3.064 757 Y HA -0.275 4.278 4.550 0.004 0.000 0.361 757 Y C 1.152 177.061 175.900 0.016 0.000 1.249 757 Y CA 0.752 58.864 58.100 0.020 0.000 1.605 757 Y CB -0.016 38.457 38.460 0.021 0.000 1.131 757 Y HN 0.788 nan 8.280 nan 0.000 0.589 758 D N -1.348 119.135 120.400 0.139 0.000 2.769 758 D HA -0.022 4.620 4.640 0.005 0.000 0.155 758 D C 0.171 176.509 176.300 0.063 0.000 1.479 758 D CA 0.459 54.512 54.000 0.088 0.000 1.511 758 D CB 0.054 40.887 40.800 0.055 0.000 1.634 758 D HN 0.340 nan 8.370 nan 0.000 0.282 759 V N 2.128 122.072 119.914 0.050 0.000 5.616 759 V HA -0.214 3.909 4.120 0.005 0.000 0.301 759 V C 0.534 176.645 176.094 0.028 0.000 0.564 759 V CA 0.806 63.128 62.300 0.036 0.000 0.653 759 V CB -2.811 29.032 31.823 0.033 0.000 0.372 759 V HN 0.661 nan 8.190 nan 0.000 1.029 760 S N -0.787 114.929 115.700 0.028 0.000 2.593 760 S HA 0.437 4.909 4.470 0.005 0.000 0.269 760 S C 1.430 176.039 174.600 0.016 0.000 1.334 760 S CA 0.044 58.257 58.200 0.022 0.000 1.015 760 S CB 1.641 64.854 63.200 0.022 0.000 0.912 760 S HN 0.546 nan 8.310 nan 0.000 0.541 761 S N 1.064 116.771 115.700 0.012 0.000 2.393 761 S HA -0.307 4.166 4.470 0.005 0.000 0.234 761 S C 1.898 176.503 174.600 0.009 0.000 1.064 761 S CA 1.974 60.179 58.200 0.009 0.000 1.088 761 S CB -0.696 62.509 63.200 0.008 0.000 0.939 761 S HN 0.833 nan 8.310 nan 0.000 0.448 762 Q N 0.162 119.968 119.800 0.010 0.000 1.948 762 Q HA -0.148 4.195 4.340 0.005 0.000 0.205 762 Q C 2.303 178.309 176.000 0.010 0.000 0.992 762 Q CA 2.047 57.856 55.803 0.009 0.000 0.849 762 Q CB -0.503 28.240 28.738 0.009 0.000 0.918 762 Q HN 0.408 nan 8.270 nan 0.000 0.421 763 V N 0.734 120.656 119.914 0.012 0.000 2.469 763 V HA -0.239 3.884 4.120 0.005 0.000 0.251 763 V C 2.028 178.131 176.094 0.015 0.000 1.064 763 V CA 1.647 63.956 62.300 0.014 0.000 1.066 763 V CB -0.389 31.445 31.823 0.018 0.000 0.667 763 V HN 0.430 nan 8.190 nan 0.000 0.461 764 I N -0.306 120.272 120.570 0.014 0.000 2.315 764 I HA -0.168 4.005 4.170 0.005 0.000 0.248 764 I C 2.631 178.753 176.117 0.009 0.000 1.117 764 I CA 1.880 63.187 61.300 0.012 0.000 1.404 764 I CB -0.408 37.597 38.000 0.008 0.000 1.071 764 I HN 0.378 nan 8.210 nan 0.000 0.419 765 S N -0.088 115.616 115.700 0.008 0.000 2.446 765 S HA -0.115 4.357 4.470 0.005 0.000 0.225 765 S C 1.890 176.494 174.600 0.006 0.000 1.016 765 S CA 0.890 59.094 58.200 0.006 0.000 0.943 765 S CB 0.048 63.252 63.200 0.006 0.000 0.786 765 S HN 0.415 nan 8.310 nan 0.000 0.508 766 Q N 0.713 120.517 119.800 0.007 0.000 1.990 766 Q HA -0.021 4.322 4.340 0.005 0.000 0.200 766 Q C 2.186 178.190 176.000 0.005 0.000 0.980 766 Q CA 1.295 57.102 55.803 0.006 0.000 0.832 766 Q CB -0.403 28.338 28.738 0.007 0.000 0.897 766 Q HN 0.374 nan 8.270 nan 0.000 0.427 767 L N 1.334 122.563 121.223 0.009 0.000 1.997 767 L HA -0.266 4.077 4.340 0.005 0.000 0.216 767 L C 1.999 178.872 176.870 0.004 0.000 1.074 767 L CA 1.948 56.793 54.840 0.009 0.000 0.763 767 L CB -0.577 41.494 42.059 0.020 0.000 0.890 767 L HN 0.235 nan 8.230 nan 0.000 0.434 768 K N -0.257 120.147 120.400 0.006 0.000 2.032 768 K HA -0.251 4.072 4.320 0.005 0.000 0.209 768 K C 1.983 178.583 176.600 0.002 0.000 1.048 768 K CA 1.678 57.967 56.287 0.004 0.000 0.927 768 K CB -0.447 32.056 32.500 0.005 0.000 0.712 768 K HN 0.532 nan 8.250 nan 0.000 0.441 769 Q N 1.075 120.877 119.800 0.002 0.000 2.084 769 Q HA -0.152 4.191 4.340 0.005 0.000 0.202 769 Q C 1.846 177.846 176.000 -0.000 0.000 0.978 769 Q CA 1.559 57.364 55.803 0.002 0.000 0.844 769 Q CB 0.148 28.887 28.738 0.003 0.000 0.898 769 Q HN 0.230 nan 8.270 nan 0.000 0.426 770 K N 0.234 120.632 120.400 -0.002 0.000 2.026 770 K HA -0.109 4.214 4.320 0.005 0.000 0.208 770 K C 2.013 178.607 176.600 -0.010 0.000 1.048 770 K CA 1.069 57.352 56.287 -0.007 0.000 0.929 770 K CB -0.217 32.276 32.500 -0.010 0.000 0.713 770 K HN 0.289 nan 8.250 nan 0.000 0.439 771 L N 1.560 122.776 121.223 -0.012 0.000 2.651 771 L HA -0.168 4.175 4.340 0.005 0.000 0.236 771 L C 1.800 178.666 176.870 -0.005 0.000 1.173 771 L CA 0.678 55.508 54.840 -0.016 0.000 0.843 771 L CB -0.390 41.656 42.059 -0.023 0.000 0.964 771 L HN 0.235 nan 8.230 nan 0.000 0.454 772 E N -1.038 119.161 120.200 -0.000 0.000 2.206 772 E HA -0.095 4.257 4.350 0.005 0.000 0.195 772 E C 1.477 178.082 176.600 0.008 0.000 0.935 772 E CA 0.325 56.729 56.400 0.006 0.000 0.875 772 E CB -0.465 29.238 29.700 0.006 0.000 0.841 772 E HN 0.477 nan 8.360 nan 0.000 0.477 773 N N 0.717 119.420 118.700 0.004 0.000 2.430 773 N HA -0.103 4.639 4.740 0.005 0.000 0.186 773 N C 1.593 177.107 175.510 0.007 0.000 1.032 773 N CA 0.426 53.480 53.050 0.005 0.000 0.893 773 N CB 0.136 38.624 38.487 0.002 0.000 0.957 773 N HN 0.080 nan 8.380 nan 0.000 0.442 774 L N -0.387 120.840 121.223 0.006 0.000 2.286 774 L HA 0.016 4.359 4.340 0.005 0.000 0.203 774 L C 2.257 179.142 176.870 0.025 0.000 1.068 774 L CA 0.222 55.068 54.840 0.010 0.000 0.811 774 L CB -0.326 41.733 42.059 -0.001 0.000 0.989 774 L HN 0.106 nan 8.230 nan 0.000 0.467 775 Q N 0.932 120.750 119.800 0.030 0.000 2.443 775 Q HA -0.165 4.177 4.340 0.005 0.000 0.213 775 Q C 1.563 177.587 176.000 0.040 0.000 0.982 775 Q CA 1.164 56.994 55.803 0.045 0.000 0.894 775 Q CB -0.243 28.519 28.738 0.040 0.000 0.947 775 Q HN 0.386 nan 8.270 nan 0.000 0.480 776 N N -0.687 118.030 118.700 0.029 0.000 2.003 776 N HA -0.162 4.581 4.740 0.005 0.000 0.198 776 N C 1.300 176.829 175.510 0.031 0.000 1.073 776 N CA 2.104 55.170 53.050 0.027 0.000 0.875 776 N CB -0.686 37.813 38.487 0.020 0.000 1.074 776 N HN 0.333 nan 8.380 nan 0.000 0.435 777 S N -1.199 114.519 115.700 0.030 0.000 3.265 777 S HA 0.041 4.514 4.470 0.005 0.000 0.259 777 S C 1.508 176.129 174.600 0.036 0.000 1.089 777 S CA 0.106 58.326 58.200 0.034 0.000 0.811 777 S CB -0.323 62.894 63.200 0.028 0.000 0.858 777 S HN 0.356 nan 8.310 nan 0.000 0.452 778 Q N 1.063 120.880 119.800 0.029 0.000 1.978 778 Q HA -0.180 4.162 4.340 0.005 0.000 0.211 778 Q C 0.809 176.827 176.000 0.029 0.000 1.013 778 Q CA 1.654 57.472 55.803 0.026 0.000 0.869 778 Q CB -0.676 28.073 28.738 0.017 0.000 0.953 778 Q HN 0.620 nan 8.270 nan 0.000 0.415 779 L N 3.079 124.319 121.223 0.029 0.000 2.700 779 L HA 0.075 4.418 4.340 0.005 0.000 0.272 779 L C -2.099 174.810 176.870 0.065 0.000 1.176 779 L CA -1.257 53.605 54.840 0.035 0.000 0.961 779 L CB 0.360 42.447 42.059 0.047 0.000 1.249 779 L HN 0.148 nan 8.230 nan 0.000 0.487 780 P HA -0.119 nan 4.420 nan 0.000 0.263 780 P C 0.305 177.687 177.300 0.137 0.000 1.175 780 P CA 0.314 63.470 63.100 0.094 0.000 0.761 780 P CB 0.527 32.280 31.700 0.089 0.000 0.794 781 E N 1.673 121.939 120.200 0.110 0.000 2.331 781 E HA -0.138 4.215 4.350 0.005 0.000 0.199 781 E C 0.199 176.871 176.600 0.119 0.000 1.008 781 E CA 0.823 57.286 56.400 0.106 0.000 0.843 781 E CB 0.215 29.959 29.700 0.073 0.000 0.761 781 E HN 0.586 nan 8.360 nan 0.000 0.507 782 S N -1.824 113.954 115.700 0.131 0.000 2.672 782 S HA 0.606 5.079 4.470 0.005 0.000 0.271 782 S C -0.916 173.790 174.600 0.178 0.000 1.171 782 S CA -0.710 57.533 58.200 0.072 0.000 0.817 782 S CB 1.568 64.751 63.200 -0.030 0.000 1.150 782 S HN 0.272 nan 8.310 nan 0.000 0.478 783 F N -2.018 117.854 119.950 -0.131 0.000 2.890 783 F HA 0.654 5.183 4.527 0.004 0.000 0.326 783 F C -1.159 174.520 175.800 -0.202 0.000 1.143 783 F CA -1.167 56.736 58.000 -0.163 0.000 0.906 783 F CB 0.923 39.832 39.000 -0.151 0.000 1.303 783 F HN 0.876 nan 8.300 nan 0.000 0.447 784 R N 1.405 121.872 120.500 -0.055 0.000 2.441 784 R HA 0.700 5.043 4.340 0.005 0.000 0.284 784 R C -1.296 174.929 176.300 -0.124 0.000 1.070 784 R CA -0.716 55.263 56.100 -0.201 0.000 1.047 784 R CB 1.474 31.655 30.300 -0.199 0.000 1.016 784 R HN 0.683 nan 8.270 nan 0.000 0.477 785 V N 8.023 127.735 119.914 -0.336 0.000 2.387 785 V HA 0.105 4.227 4.120 0.005 0.000 0.260 785 V C -1.599 174.261 176.094 -0.390 0.000 1.054 785 V CA -1.326 60.731 62.300 -0.405 0.000 0.967 785 V CB 1.123 32.580 31.823 -0.609 0.000 1.036 785 V HN 0.843 nan 8.190 nan 0.000 0.481 786 P HA -0.209 nan 4.420 nan 0.000 0.217 786 P C 1.172 178.435 177.300 -0.063 0.000 1.151 786 P CA 1.783 64.737 63.100 -0.243 0.000 0.849 786 P CB -0.025 31.203 31.700 -0.786 0.000 0.787 787 Y N -2.448 117.870 120.300 0.029 0.000 2.523 787 Y HA 0.355 4.908 4.550 0.004 0.000 0.279 787 Y C 0.139 176.188 175.900 0.247 0.000 1.139 787 Y CA -0.289 57.935 58.100 0.207 0.000 1.296 787 Y CB -0.556 37.971 38.460 0.113 0.000 1.045 787 Y HN -0.161 nan 8.280 nan 0.000 0.538 788 D N 1.788 122.068 120.400 -0.199 0.000 2.472 788 D HA 0.204 4.847 4.640 0.005 0.000 0.248 788 D C -2.126 173.992 176.300 -0.304 0.000 1.271 788 D CA -2.524 51.421 54.000 -0.091 0.000 0.888 788 D CB 1.257 42.045 40.800 -0.020 0.000 1.337 788 D HN -0.079 nan 8.370 nan 0.000 0.526 789 P HA -0.174 nan 4.420 nan 0.000 0.217 789 P C 1.406 178.436 177.300 -0.450 0.000 1.148 789 P CA 1.382 64.054 63.100 -0.714 0.000 0.834 789 P CB 0.278 31.368 31.700 -1.017 0.000 0.783 790 G N 0.723 109.354 108.800 -0.282 0.000 2.453 790 G HA2 -0.143 3.819 3.960 0.005 0.000 0.215 790 G HA3 -0.143 3.819 3.960 0.005 0.000 0.215 790 G C 0.843 175.602 174.900 -0.234 0.000 1.201 790 G CA 0.072 45.044 45.100 -0.213 0.000 0.784 790 G HN 0.237 nan 8.290 nan 0.000 0.545 791 L N 0.898 121.985 121.223 -0.226 0.000 2.559 791 L HA 0.101 4.444 4.340 0.005 0.000 0.282 791 L C 0.058 176.742 176.870 -0.310 0.000 1.232 791 L CA 0.519 55.218 54.840 -0.235 0.000 0.885 791 L CB 0.522 42.455 42.059 -0.211 0.000 1.131 791 L HN 0.156 nan 8.230 nan 0.000 0.498 792 K N 3.932 124.153 120.400 -0.299 0.000 2.507 792 K HA 0.484 4.807 4.320 0.005 0.000 0.253 792 K C -0.487 175.852 176.600 -0.437 0.000 0.969 792 K CA -0.539 55.527 56.287 -0.368 0.000 0.908 792 K CB 1.749 34.096 32.500 -0.255 0.000 1.127 792 K HN 0.642 nan 8.250 nan 0.000 0.437 793 A N 2.344 124.699 122.820 -0.775 0.000 2.425 793 A HA 0.544 4.867 4.320 0.005 0.000 0.249 793 A C 0.608 177.874 177.584 -0.530 0.000 1.084 793 A CA 0.198 51.759 52.037 -0.793 0.000 0.781 793 A CB 0.560 18.635 19.000 -1.542 0.000 1.019 793 A HN 0.835 nan 8.150 nan 0.000 0.490 794 G N 0.042 108.752 108.800 -0.150 0.000 3.392 794 G HA2 0.580 4.542 3.960 0.005 0.000 0.188 794 G HA3 0.580 4.542 3.960 0.005 0.000 0.188 794 G C 0.540 175.566 174.900 0.211 0.000 1.485 794 G CA 0.103 45.212 45.100 0.015 0.000 0.943 794 G HN 1.428 nan 8.290 nan 0.000 0.627 795 A N -0.504 122.430 122.820 0.190 0.000 2.425 795 A HA 0.479 4.802 4.320 0.005 0.000 0.242 795 A C 0.047 177.797 177.584 0.277 0.000 1.077 795 A CA -0.195 51.971 52.037 0.216 0.000 0.781 795 A CB 0.275 19.346 19.000 0.118 0.000 1.020 795 A HN 0.720 nan 8.150 nan 0.000 0.494 796 L N 2.539 123.870 121.223 0.181 0.000 2.261 796 L HA 0.499 4.842 4.340 0.005 0.000 0.289 796 L C 0.593 177.389 176.870 -0.123 0.000 1.059 796 L CA -0.036 54.712 54.840 -0.154 0.000 0.816 796 L CB 0.292 42.221 42.059 -0.216 0.000 1.191 796 L HN 0.781 nan 8.230 nan 0.000 0.431 797 A N 5.886 128.626 122.820 -0.133 0.000 2.897 797 A HA 0.141 4.464 4.320 0.005 0.000 0.287 797 A C 1.271 178.824 177.584 -0.051 0.000 1.748 797 A CA -0.278 51.731 52.037 -0.047 0.000 1.397 797 A CB -0.655 18.341 19.000 -0.006 0.000 1.049 797 A HN 0.810 nan 8.150 nan 0.000 0.592 798 I N 1.510 122.056 120.570 -0.039 0.000 2.185 798 I HA -0.354 3.819 4.170 0.005 0.000 0.246 798 I C 2.424 178.542 176.117 0.001 0.000 1.088 798 I CA 2.225 63.510 61.300 -0.024 0.000 1.347 798 I CB -0.518 37.475 38.000 -0.011 0.000 1.041 798 I HN 0.795 nan 8.210 nan 0.000 0.415 799 E N 1.020 121.225 120.200 0.009 0.000 2.448 799 E HA -0.242 4.111 4.350 0.005 0.000 0.203 799 E C 1.355 177.973 176.600 0.029 0.000 1.046 799 E CA 1.132 57.542 56.400 0.017 0.000 0.871 799 E CB -0.406 29.305 29.700 0.019 0.000 0.790 799 E HN 0.579 nan 8.360 nan 0.000 0.545 800 K N -0.150 120.278 120.400 0.048 0.000 2.438 800 K HA 0.211 4.534 4.320 0.005 0.000 0.206 800 K C -0.282 176.408 176.600 0.150 0.000 1.081 800 K CA -0.331 56.010 56.287 0.090 0.000 1.053 800 K CB 0.898 33.479 32.500 0.134 0.000 0.908 800 K HN 0.020 nan 8.250 nan 0.000 0.556 801 C N 2.928 122.296 119.300 0.113 0.000 2.539 801 C HA 0.334 4.797 4.460 0.005 0.000 0.392 801 C C 0.595 175.650 174.990 0.109 0.000 1.269 801 C CA -0.445 58.674 59.018 0.169 0.000 2.250 801 C CB -0.024 27.756 27.740 0.068 0.000 2.584 801 C HN 0.530 nan 8.230 nan 0.000 0.589 802 K N 0.566 121.054 120.400 0.147 0.000 2.128 802 K HA 0.814 5.136 4.320 0.005 0.000 0.254 802 K C -1.956 174.703 176.600 0.098 0.000 0.872 802 K CA -0.569 55.749 56.287 0.052 0.000 0.733 802 K CB 1.098 33.549 32.500 -0.082 0.000 1.521 802 K HN 0.238 nan 8.250 nan 0.000 0.406 803 V N 1.776 121.724 119.914 0.056 0.000 2.559 803 V HA 0.273 4.395 4.120 0.005 0.000 0.289 803 V C -0.528 175.602 176.094 0.061 0.000 1.036 803 V CA -0.644 61.706 62.300 0.083 0.000 0.887 803 V CB 1.322 33.184 31.823 0.064 0.000 1.022 803 V HN 0.661 nan 8.190 nan 0.000 0.442 804 M N 2.805 122.462 119.600 0.095 0.000 2.252 804 M HA 0.248 4.731 4.480 0.005 0.000 0.321 804 M C 1.477 177.815 176.300 0.063 0.000 1.070 804 M CA 0.808 56.149 55.300 0.068 0.000 1.143 804 M CB 0.691 33.360 32.600 0.115 0.000 1.498 804 M HN 0.827 nan 8.290 nan 0.000 0.445 805 A N 2.127 124.978 122.820 0.052 0.000 2.213 805 A HA 0.059 4.382 4.320 0.005 0.000 0.192 805 A C 0.618 178.257 177.584 0.091 0.000 1.296 805 A CA 0.909 52.993 52.037 0.079 0.000 0.703 805 A CB -0.771 18.278 19.000 0.082 0.000 0.941 805 A HN 0.864 nan 8.150 nan 0.000 0.517 806 S N -1.508 114.252 115.700 0.100 0.000 3.392 806 S HA -0.107 4.366 4.470 0.005 0.000 0.856 806 S C 0.834 175.483 174.600 0.082 0.000 1.165 806 S CA 0.302 58.554 58.200 0.088 0.000 0.983 806 S CB -0.192 63.046 63.200 0.064 0.000 0.672 806 S HN 0.679 nan 8.310 nan 0.000 0.271 807 K N 2.487 122.925 120.400 0.063 0.000 2.034 807 K HA -0.105 4.218 4.320 0.005 0.000 0.214 807 K C 0.935 177.539 176.600 0.005 0.000 1.051 807 K CA 1.695 57.980 56.287 -0.004 0.000 0.931 807 K CB -0.461 32.038 32.500 -0.002 0.000 0.715 807 K HN 0.680 nan 8.250 nan 0.000 0.446 808 K N 1.133 121.554 120.400 0.035 0.000 2.202 808 K HA 0.086 4.408 4.320 0.005 0.000 0.238 808 K C 0.372 177.012 176.600 0.068 0.000 1.070 808 K CA -0.084 56.237 56.287 0.057 0.000 0.859 808 K CB 0.275 32.814 32.500 0.065 0.000 1.140 808 K HN -0.155 nan 8.250 nan 0.000 0.515 809 K N 1.383 121.837 120.400 0.090 0.000 3.084 809 K HA 0.277 4.600 4.320 0.005 0.000 0.172 809 K C -2.734 173.939 176.600 0.121 0.000 1.078 809 K CA -1.763 54.580 56.287 0.093 0.000 0.875 809 K CB 0.740 33.286 32.500 0.077 0.000 1.064 809 K HN 0.349 nan 8.250 nan 0.000 0.597 810 P HA -0.014 nan 4.420 nan 0.000 0.267 810 P C -0.255 177.158 177.300 0.188 0.000 1.201 810 P CA -0.463 62.733 63.100 0.160 0.000 0.775 810 P CB 0.516 32.298 31.700 0.138 0.000 0.854 811 L N 3.258 124.621 121.223 0.234 0.000 2.334 811 L HA 0.541 4.884 4.340 0.005 0.000 0.275 811 L C -1.189 175.872 176.870 0.319 0.000 1.036 811 L CA -0.587 54.402 54.840 0.248 0.000 0.807 811 L CB 0.682 42.875 42.059 0.223 0.000 1.231 811 L HN 0.459 nan 8.230 nan 0.000 0.438 812 W N 7.738 129.103 121.300 0.108 0.000 2.363 812 W HA 0.467 5.130 4.660 0.004 0.000 0.314 812 W C -2.083 174.483 176.519 0.079 0.000 0.994 812 W CA -0.862 56.544 57.345 0.101 0.000 1.449 812 W CB 0.744 30.242 29.460 0.063 0.000 1.248 812 W HN 0.330 nan 8.180 nan 0.000 0.409 813 L N 5.174 126.426 121.223 0.050 0.000 2.334 813 L HA 0.564 4.906 4.340 0.005 0.000 0.272 813 L C 0.080 176.849 176.870 -0.169 0.000 1.020 813 L CA -0.765 54.056 54.840 -0.032 0.000 0.812 813 L CB 2.025 44.081 42.059 -0.004 0.000 1.264 813 L HN 0.250 nan 8.230 nan 0.000 0.439 814 E N 1.749 121.773 120.200 -0.292 0.000 2.292 814 E HA 0.571 4.924 4.350 0.005 0.000 0.272 814 E C -1.600 174.779 176.600 -0.368 0.000 0.881 814 E CA -0.554 55.753 56.400 -0.156 0.000 0.754 814 E CB 2.563 32.284 29.700 0.034 0.000 1.201 814 E HN 0.199 nan 8.360 nan 0.000 0.425 815 F N 0.602 120.593 119.950 0.068 0.000 2.661 815 F HA 0.541 5.071 4.527 0.004 0.000 0.347 815 F C 0.155 175.966 175.800 0.019 0.000 1.086 815 F CA -1.125 56.907 58.000 0.054 0.000 1.016 815 F CB 1.010 40.036 39.000 0.043 0.000 1.368 815 F HN 0.107 nan 8.300 nan 0.000 0.505 816 K N -0.188 120.337 120.400 0.209 0.000 2.156 816 K HA 0.467 4.789 4.320 0.005 0.000 0.254 816 K C -1.189 175.439 176.600 0.046 0.000 0.950 816 K CA -0.573 55.774 56.287 0.101 0.000 0.849 816 K CB 1.666 34.210 32.500 0.073 0.000 1.100 816 K HN 0.712 nan 8.250 nan 0.000 0.434 817 C N 2.902 122.206 119.300 0.007 0.000 2.651 817 C HA 0.260 4.723 4.460 0.005 0.000 0.410 817 C C 1.595 176.553 174.990 -0.055 0.000 1.372 817 C CA -0.232 58.755 59.018 -0.050 0.000 1.707 817 C CB -1.099 26.614 27.740 -0.045 0.000 2.501 817 C HN 0.905 nan 8.230 nan 0.000 0.598 818 A N 3.918 126.681 122.820 -0.095 0.000 2.216 818 A HA 0.032 4.355 4.320 0.005 0.000 0.214 818 A C 0.872 178.417 177.584 -0.064 0.000 1.160 818 A CA 0.850 52.843 52.037 -0.073 0.000 0.725 818 A CB -0.327 18.612 19.000 -0.102 0.000 0.784 818 A HN 0.925 nan 8.150 nan 0.000 0.472 819 D N -0.680 119.675 120.400 -0.075 0.000 2.249 819 D HA 0.361 5.004 4.640 0.005 0.000 0.246 819 D C -1.973 174.298 176.300 -0.048 0.000 1.114 819 D CA -2.029 51.929 54.000 -0.070 0.000 0.854 819 D CB 1.525 42.267 40.800 -0.096 0.000 1.132 819 D HN -0.025 nan 8.370 nan 0.000 0.461 820 P HA 0.008 nan 4.420 nan 0.000 0.227 820 P C 0.918 178.207 177.300 -0.018 0.000 1.161 820 P CA 0.765 63.854 63.100 -0.018 0.000 0.788 820 P CB 0.197 31.892 31.700 -0.008 0.000 0.822 821 T N -3.249 111.285 114.554 -0.034 0.000 3.284 821 T HA 0.362 4.714 4.350 0.005 0.000 0.252 821 T C 0.829 175.493 174.700 -0.061 0.000 1.144 821 T CA -0.312 61.766 62.100 -0.037 0.000 1.021 821 T CB -0.831 68.005 68.868 -0.053 0.000 0.984 821 T HN -0.008 nan 8.240 nan 0.000 0.545 822 A N 0.873 123.661 122.820 -0.055 0.000 2.366 822 A HA 0.618 4.940 4.320 0.005 0.000 0.249 822 A C 0.569 178.118 177.584 -0.059 0.000 1.084 822 A CA -0.480 51.520 52.037 -0.062 0.000 0.794 822 A CB 0.128 19.104 19.000 -0.041 0.000 1.034 822 A HN 0.402 nan 8.150 nan 0.000 0.491 823 L N 1.173 122.344 121.223 -0.086 0.000 3.168 823 L HA 0.233 4.576 4.340 0.005 0.000 0.277 823 L C 0.495 177.331 176.870 -0.056 0.000 1.245 823 L CA 0.665 55.453 54.840 -0.088 0.000 1.035 823 L CB -0.059 41.873 42.059 -0.212 0.000 1.399 823 L HN 0.736 nan 8.230 nan 0.000 0.580 824 S N -3.151 112.533 115.700 -0.026 0.000 2.569 824 S HA 0.496 4.968 4.470 0.005 0.000 0.280 824 S C 0.374 174.984 174.600 0.017 0.000 1.111 824 S CA -0.801 57.400 58.200 0.001 0.000 0.887 824 S CB 1.482 64.690 63.200 0.013 0.000 1.095 824 S HN 0.062 nan 8.310 nan 0.000 0.476 825 N N 0.394 119.111 118.700 0.030 0.000 2.422 825 N HA 0.050 4.793 4.740 0.005 0.000 0.181 825 N C -0.472 175.067 175.510 0.050 0.000 1.080 825 N CA 0.313 53.385 53.050 0.038 0.000 0.893 825 N CB -0.164 38.347 38.487 0.040 0.000 0.973 825 N HN 0.622 nan 8.380 nan 0.000 0.456 826 E N 1.581 121.813 120.200 0.055 0.000 2.585 826 E HA -0.026 4.326 4.350 0.005 0.000 0.252 826 E C 0.699 177.341 176.600 0.070 0.000 0.981 826 E CA 0.196 56.638 56.400 0.070 0.000 0.943 826 E CB 0.383 30.128 29.700 0.076 0.000 0.923 826 E HN 0.286 nan 8.360 nan 0.000 0.486 827 T N 0.365 114.969 114.554 0.084 0.000 2.833 827 T HA 0.518 4.871 4.350 0.005 0.000 0.312 827 T C 0.645 175.407 174.700 0.103 0.000 1.085 827 T CA -0.661 61.494 62.100 0.093 0.000 0.955 827 T CB 0.502 69.433 68.868 0.105 0.000 1.353 827 T HN 0.329 nan 8.240 nan 0.000 0.544 828 I N 0.591 121.246 120.570 0.141 0.000 2.418 828 I HA 0.511 4.684 4.170 0.005 0.000 0.287 828 I C 0.375 176.615 176.117 0.205 0.000 1.008 828 I CA -0.859 60.536 61.300 0.159 0.000 1.104 828 I CB 1.677 39.753 38.000 0.127 0.000 1.264 828 I HN 0.904 nan 8.210 nan 0.000 0.438 829 G N 7.698 116.553 108.800 0.092 0.000 2.370 829 G HA2 0.732 4.694 3.960 0.005 0.000 0.317 829 G HA3 0.732 4.694 3.960 0.005 0.000 0.317 829 G C -0.700 174.183 174.900 -0.027 0.000 1.162 829 G CA -0.322 44.730 45.100 -0.080 0.000 0.922 829 G HN 0.464 nan 8.290 nan 0.000 0.454 830 I N 2.185 122.796 120.570 0.068 0.000 2.509 830 I HA 0.401 4.574 4.170 0.005 0.000 0.293 830 I C -0.469 175.675 176.117 0.046 0.000 1.020 830 I CA -0.852 60.537 61.300 0.149 0.000 1.088 830 I CB 2.583 40.852 38.000 0.448 0.000 1.267 830 I HN 0.215 nan 8.210 nan 0.000 0.430 831 I N 5.481 126.025 120.570 -0.044 0.000 2.359 831 I HA 0.299 4.472 4.170 0.005 0.000 0.284 831 I C -0.725 175.406 176.117 0.024 0.000 1.018 831 I CA -0.364 60.946 61.300 0.017 0.000 1.173 831 I CB 0.804 38.780 38.000 -0.040 0.000 1.326 831 I HN 0.319 nan 8.210 nan 0.000 0.462 832 F N 6.556 126.554 119.950 0.080 0.000 2.384 832 F HA 0.507 5.037 4.527 0.005 0.000 0.338 832 F C 0.443 176.301 175.800 0.095 0.000 1.103 832 F CA 0.012 58.066 58.000 0.090 0.000 1.157 832 F CB 1.003 40.061 39.000 0.097 0.000 1.167 832 F HN 0.330 nan 8.300 nan 0.000 0.529 833 K N 1.755 122.280 120.400 0.207 0.000 2.556 833 K HA 0.353 4.676 4.320 0.005 0.000 0.274 833 K C -2.167 174.551 176.600 0.196 0.000 0.966 833 K CA -0.848 55.545 56.287 0.178 0.000 0.865 833 K CB 2.076 34.636 32.500 0.100 0.000 1.444 833 K HN 0.789 nan 8.250 nan 0.000 0.433 834 H N -0.503 118.624 119.070 0.096 0.000 2.717 834 H HA 0.524 5.083 4.556 0.005 0.000 0.366 834 H C 0.312 175.680 175.328 0.066 0.000 1.132 834 H CA 1.050 57.147 56.048 0.083 0.000 1.180 834 H CB 2.041 31.853 29.762 0.082 0.000 1.678 834 H HN 0.784 nan 8.280 nan 0.000 0.537 835 G N 3.733 112.176 108.800 -0.597 0.000 2.428 835 G HA2 -0.172 3.791 3.960 0.005 0.000 0.199 835 G HA3 -0.172 3.791 3.960 0.005 0.000 0.199 835 G C -0.536 174.277 174.900 -0.145 0.000 1.005 835 G CA 0.045 44.973 45.100 -0.287 0.000 0.671 835 G HN 0.631 nan 8.290 nan 0.000 0.485 836 D N 1.098 121.440 120.400 -0.098 0.000 2.198 836 D HA 0.439 5.081 4.640 0.005 0.000 0.247 836 D C -1.074 175.210 176.300 -0.026 0.000 1.010 836 D CA -0.385 53.597 54.000 -0.030 0.000 0.880 836 D CB 1.723 42.528 40.800 0.008 0.000 1.209 836 D HN 0.089 nan 8.370 nan 0.000 0.451 837 D N 2.139 122.543 120.400 0.007 0.000 2.416 837 D HA -0.005 4.637 4.640 0.005 0.000 0.240 837 D C 0.695 177.000 176.300 0.009 0.000 1.250 837 D CA -0.414 53.591 54.000 0.008 0.000 0.967 837 D CB 0.463 41.280 40.800 0.028 0.000 1.059 837 D HN 0.063 nan 8.370 nan 0.000 0.512 838 L N 4.193 125.418 121.223 0.003 0.000 2.675 838 L HA 0.053 4.396 4.340 0.005 0.000 0.238 838 L C 1.997 178.857 176.870 -0.017 0.000 1.155 838 L CA 0.751 55.596 54.840 0.008 0.000 0.881 838 L CB -0.462 41.601 42.059 0.006 0.000 1.008 838 L HN 0.316 nan 8.230 nan 0.000 0.443 839 R N -1.652 118.826 120.500 -0.037 0.000 2.075 839 R HA -0.005 4.338 4.340 0.005 0.000 0.220 839 R C 1.938 178.177 176.300 -0.102 0.000 1.118 839 R CA 0.708 56.759 56.100 -0.080 0.000 0.986 839 R CB -0.061 30.190 30.300 -0.081 0.000 0.884 839 R HN 0.451 nan 8.270 nan 0.000 0.439 840 Q N 0.820 120.573 119.800 -0.079 0.000 2.135 840 Q HA -0.202 4.140 4.340 0.005 0.000 0.204 840 Q C 1.187 177.131 176.000 -0.093 0.000 0.981 840 Q CA 1.740 57.480 55.803 -0.105 0.000 0.856 840 Q CB -0.150 28.525 28.738 -0.105 0.000 0.902 840 Q HN 0.308 nan 8.270 nan 0.000 0.425 841 D N 0.527 120.914 120.400 -0.022 0.000 2.078 841 D HA -0.148 4.494 4.640 0.005 0.000 0.193 841 D C 1.875 178.102 176.300 -0.122 0.000 0.990 841 D CA 1.319 55.334 54.000 0.025 0.000 0.827 841 D CB -0.117 40.769 40.800 0.142 0.000 0.975 841 D HN 0.149 nan 8.370 nan 0.000 0.451 842 M N -0.240 119.285 119.600 -0.125 0.000 2.110 842 M HA -0.221 4.262 4.480 0.005 0.000 0.257 842 M C 1.929 178.074 176.300 -0.259 0.000 1.071 842 M CA 1.111 56.294 55.300 -0.196 0.000 1.096 842 M CB -0.403 32.066 32.600 -0.218 0.000 1.300 842 M HN 0.075 nan 8.290 nan 0.000 0.411 843 L N 0.328 121.403 121.223 -0.246 0.000 1.990 843 L HA -0.245 4.098 4.340 0.005 0.000 0.213 843 L C 2.397 179.115 176.870 -0.253 0.000 1.072 843 L CA 1.850 56.544 54.840 -0.243 0.000 0.755 843 L CB -1.223 40.710 42.059 -0.210 0.000 0.889 843 L HN 0.315 nan 8.230 nan 0.000 0.432 844 I N -0.851 119.547 120.570 -0.286 0.000 2.208 844 I HA -0.281 3.892 4.170 0.005 0.000 0.245 844 I C 2.357 178.214 176.117 -0.432 0.000 1.097 844 I CA 1.168 62.240 61.300 -0.381 0.000 1.363 844 I CB -1.075 36.583 38.000 -0.569 0.000 1.051 844 I HN 0.206 nan 8.210 nan 0.000 0.413 845 L N 0.230 121.190 121.223 -0.437 0.000 2.141 845 L HA -0.172 4.171 4.340 0.005 0.000 0.209 845 L C 2.535 179.226 176.870 -0.299 0.000 1.094 845 L CA 1.381 55.986 54.840 -0.390 0.000 0.763 845 L CB -1.725 40.098 42.059 -0.394 0.000 0.908 845 L HN 0.340 nan 8.230 nan 0.000 0.437 846 Q N 0.660 120.290 119.800 -0.283 0.000 2.020 846 Q HA -0.172 4.171 4.340 0.005 0.000 0.202 846 Q C 2.243 178.103 176.000 -0.233 0.000 0.982 846 Q CA 1.777 57.424 55.803 -0.261 0.000 0.838 846 Q CB -0.357 28.225 28.738 -0.259 0.000 0.899 846 Q HN 0.457 nan 8.270 nan 0.000 0.423 847 I N -0.177 120.268 120.570 -0.209 0.000 2.208 847 I HA -0.266 3.906 4.170 0.005 0.000 0.245 847 I C 1.687 177.677 176.117 -0.212 0.000 1.097 847 I CA 0.688 61.883 61.300 -0.175 0.000 1.363 847 I CB -0.222 37.699 38.000 -0.131 0.000 1.051 847 I HN 0.286 nan 8.210 nan 0.000 0.413 848 L N 0.435 121.522 121.223 -0.228 0.000 2.127 848 L HA -0.184 4.159 4.340 0.005 0.000 0.211 848 L C 2.487 179.229 176.870 -0.215 0.000 1.089 848 L CA 1.702 56.406 54.840 -0.227 0.000 0.757 848 L CB -0.877 41.064 42.059 -0.197 0.000 0.899 848 L HN 0.186 nan 8.230 nan 0.000 0.434 849 R N -1.041 119.339 120.500 -0.201 0.000 2.193 849 R HA 0.041 4.384 4.340 0.005 0.000 0.213 849 R C 2.095 178.317 176.300 -0.130 0.000 1.055 849 R CA 0.816 56.818 56.100 -0.163 0.000 0.995 849 R CB -0.180 29.985 30.300 -0.226 0.000 0.893 849 R HN 0.353 nan 8.270 nan 0.000 0.459 850 I N 0.370 120.826 120.570 -0.191 0.000 3.059 850 I HA -0.100 4.073 4.170 0.005 0.000 0.270 850 I C 2.085 178.027 176.117 -0.291 0.000 1.238 850 I CA 0.819 62.002 61.300 -0.196 0.000 1.478 850 I CB 0.088 37.965 38.000 -0.206 0.000 1.097 850 I HN 0.101 nan 8.210 nan 0.000 0.455 851 M N -0.475 118.879 119.600 -0.409 0.000 2.514 851 M HA -0.038 4.444 4.480 0.005 0.000 0.258 851 M C 1.773 177.533 176.300 -0.900 0.000 1.119 851 M CA 1.076 55.898 55.300 -0.796 0.000 1.111 851 M CB 0.044 32.072 32.600 -0.952 0.000 1.390 851 M HN 0.157 nan 8.290 nan 0.000 0.475 852 E N 0.263 120.267 120.200 -0.326 0.000 2.030 852 E HA -0.110 4.243 4.350 0.005 0.000 0.189 852 E C 2.045 178.677 176.600 0.054 0.000 0.974 852 E CA 1.448 57.882 56.400 0.057 0.000 0.807 852 E CB -0.127 29.639 29.700 0.110 0.000 0.771 852 E HN 0.456 nan 8.360 nan 0.000 0.451 853 S N 1.657 117.361 115.700 0.006 0.000 2.393 853 S HA -0.274 4.198 4.470 0.005 0.000 0.234 853 S C 2.081 176.652 174.600 -0.049 0.000 1.064 853 S CA 1.382 59.572 58.200 -0.017 0.000 1.088 853 S CB -0.846 62.290 63.200 -0.106 0.000 0.939 853 S HN 0.190 nan 8.310 nan 0.000 0.448 854 I N -0.196 120.284 120.570 -0.150 0.000 2.090 854 I HA -0.163 4.010 4.170 0.005 0.000 0.236 854 I C 2.668 178.832 176.117 0.079 0.000 1.064 854 I CA 1.630 62.849 61.300 -0.135 0.000 1.324 854 I CB -0.619 37.203 38.000 -0.296 0.000 1.044 854 I HN 0.356 nan 8.210 nan 0.000 0.399 855 W N 1.430 122.735 121.300 0.008 0.000 2.292 855 W HA -0.268 4.395 4.660 0.005 0.000 0.304 855 W C 2.518 179.076 176.519 0.066 0.000 1.228 855 W CA 1.691 59.041 57.345 0.008 0.000 1.241 855 W CB -1.096 28.336 29.460 -0.047 0.000 1.142 855 W HN 0.370 nan 8.180 nan 0.000 0.520 856 E N 0.128 120.521 120.200 0.323 0.000 2.031 856 E HA -0.232 4.121 4.350 0.005 0.000 0.193 856 E C 2.224 178.919 176.600 0.159 0.000 0.994 856 E CA 2.773 59.343 56.400 0.284 0.000 0.800 856 E CB -0.338 29.482 29.700 0.200 0.000 0.752 856 E HN 0.175 nan 8.360 nan 0.000 0.447 857 T N -1.396 113.224 114.554 0.110 0.000 2.822 857 T HA -0.220 4.133 4.350 0.005 0.000 0.270 857 T C 1.503 176.259 174.700 0.095 0.000 1.064 857 T CA 1.643 63.788 62.100 0.076 0.000 1.131 857 T CB -0.208 68.703 68.868 0.071 0.000 0.858 857 T HN 0.211 nan 8.240 nan 0.000 0.483 858 E N 0.382 120.667 120.200 0.142 0.000 2.411 858 E HA 0.276 4.629 4.350 0.005 0.000 0.204 858 E C -0.035 176.637 176.600 0.119 0.000 1.059 858 E CA -0.039 56.439 56.400 0.130 0.000 1.112 858 E CB -0.428 29.375 29.700 0.171 0.000 1.168 858 E HN 0.467 nan 8.360 nan 0.000 0.445 859 S N -0.445 115.332 115.700 0.128 0.000 3.402 859 S HA -0.223 4.250 4.470 0.005 0.000 0.329 859 S C 0.196 174.955 174.600 0.265 0.000 1.194 859 S CA 0.639 58.935 58.200 0.159 0.000 0.951 859 S CB -1.293 61.959 63.200 0.086 0.000 0.975 859 S HN 0.449 nan 8.310 nan 0.000 0.574 860 L N 1.376 122.724 121.223 0.209 0.000 2.344 860 L HA 0.606 4.949 4.340 0.005 0.000 0.272 860 L C 0.023 176.815 176.870 -0.130 0.000 1.035 860 L CA -0.467 54.360 54.840 -0.022 0.000 0.807 860 L CB 1.291 43.239 42.059 -0.185 0.000 1.237 860 L HN 0.095 nan 8.230 nan 0.000 0.442 861 D N 3.185 123.244 120.400 -0.568 0.000 2.336 861 D HA 0.198 4.841 4.640 0.005 0.000 0.248 861 D C -0.041 175.905 176.300 -0.589 0.000 1.326 861 D CA -0.322 53.239 54.000 -0.731 0.000 0.973 861 D CB 1.257 41.132 40.800 -1.542 0.000 1.255 861 D HN 0.374 nan 8.370 nan 0.000 0.558 862 L N 2.296 123.220 121.223 -0.498 0.000 2.688 862 L HA 0.165 4.508 4.340 0.005 0.000 0.234 862 L C 0.794 177.544 176.870 -0.200 0.000 1.192 862 L CA -0.350 54.203 54.840 -0.479 0.000 0.984 862 L CB -0.497 41.034 42.059 -0.881 0.000 1.232 862 L HN 0.524 nan 8.230 nan 0.000 0.465 863 C N 1.000 120.228 119.300 -0.120 0.000 3.989 863 C HA -0.193 4.270 4.460 0.005 0.000 0.297 863 C C 1.319 176.341 174.990 0.054 0.000 1.435 863 C CA -0.073 58.942 59.018 -0.006 0.000 2.040 863 C CB -2.908 24.864 27.740 0.054 0.000 1.308 863 C HN 0.396 nan 8.230 nan 0.000 0.704 864 L N -0.261 120.969 121.223 0.012 0.000 2.473 864 L HA 0.303 4.646 4.340 0.005 0.000 0.268 864 L C 0.685 177.649 176.870 0.156 0.000 1.215 864 L CA 0.281 55.123 54.840 0.003 0.000 0.823 864 L CB 0.295 42.279 42.059 -0.124 0.000 1.099 864 L HN 0.311 nan 8.230 nan 0.000 0.483 865 L N 3.476 124.899 121.223 0.334 0.000 2.556 865 L HA 0.290 4.633 4.340 0.005 0.000 0.243 865 L C -2.253 174.706 176.870 0.148 0.000 1.331 865 L CA -1.432 53.518 54.840 0.183 0.000 0.927 865 L CB 1.027 43.118 42.059 0.053 0.000 1.219 865 L HN 0.334 nan 8.230 nan 0.000 0.490 866 P HA 0.107 nan 4.420 nan 0.000 0.268 866 P C -0.646 176.523 177.300 -0.218 0.000 1.541 866 P CA -0.233 62.777 63.100 -0.151 0.000 1.093 866 P CB -0.318 31.294 31.700 -0.147 0.000 1.551 867 Y N 0.665 120.943 120.300 -0.035 0.000 2.511 867 Y HA 0.431 4.984 4.550 0.005 0.000 0.347 867 Y C 1.178 177.002 175.900 -0.126 0.000 1.257 867 Y CA -1.238 56.792 58.100 -0.118 0.000 1.469 867 Y CB -0.471 37.882 38.460 -0.179 0.000 1.353 867 Y HN 0.324 nan 8.280 nan 0.000 0.617 868 G N -0.038 108.723 108.800 -0.066 0.000 2.484 868 G HA2 0.292 4.255 3.960 0.005 0.000 0.235 868 G HA3 0.292 4.255 3.960 0.005 0.000 0.235 868 G C -1.150 173.679 174.900 -0.119 0.000 1.282 868 G CA -0.005 45.012 45.100 -0.138 0.000 0.857 868 G HN 1.144 nan 8.290 nan 0.000 0.571 869 C N 3.754 123.051 119.300 -0.005 0.000 2.947 869 C HA 0.507 4.970 4.460 0.005 0.000 0.401 869 C C -1.301 173.718 174.990 0.049 0.000 1.019 869 C CA -1.009 58.019 59.018 0.017 0.000 1.230 869 C CB 0.166 27.937 27.740 0.051 0.000 1.644 869 C HN 0.591 nan 8.230 nan 0.000 0.523 870 I N 5.828 126.415 120.570 0.029 0.000 2.448 870 I HA 0.269 4.441 4.170 0.005 0.000 0.281 870 I C 0.647 176.763 176.117 -0.003 0.000 1.027 870 I CA 0.258 61.581 61.300 0.038 0.000 1.111 870 I CB 1.471 39.455 38.000 -0.026 0.000 1.236 870 I HN 0.830 nan 8.210 nan 0.000 0.452 871 S N 4.386 120.100 115.700 0.022 0.000 2.498 871 S HA 0.127 4.600 4.470 0.005 0.000 0.281 871 S C 1.095 175.736 174.600 0.069 0.000 1.265 871 S CA 0.120 58.333 58.200 0.022 0.000 1.071 871 S CB 0.065 63.267 63.200 0.002 0.000 0.894 871 S HN 0.741 nan 8.310 nan 0.000 0.491 872 T N 1.774 116.373 114.554 0.075 0.000 3.129 872 T HA 0.599 4.952 4.350 0.005 0.000 0.267 872 T C 0.696 175.478 174.700 0.137 0.000 1.018 872 T CA 0.029 62.217 62.100 0.146 0.000 0.903 872 T CB 0.056 69.019 68.868 0.158 0.000 1.067 872 T HN 1.067 nan 8.240 nan 0.000 0.549 873 G N 0.341 109.202 108.800 0.101 0.000 2.315 873 G HA2 0.367 4.329 3.960 0.005 0.000 0.294 873 G HA3 0.367 4.329 3.960 0.005 0.000 0.294 873 G C -2.187 172.764 174.900 0.085 0.000 1.300 873 G CA -0.941 44.220 45.100 0.102 0.000 0.843 873 G HN 0.101 nan 8.290 nan 0.000 0.527 874 D N 0.861 121.317 120.400 0.094 0.000 2.417 874 D HA 0.303 4.946 4.640 0.005 0.000 0.250 874 D C 0.849 177.184 176.300 0.058 0.000 1.166 874 D CA 0.456 54.503 54.000 0.078 0.000 0.881 874 D CB 0.396 41.255 40.800 0.098 0.000 1.164 874 D HN 0.522 nan 8.370 nan 0.000 0.467 875 K N 1.691 122.086 120.400 -0.008 0.000 3.078 875 K HA -0.230 4.093 4.320 0.005 0.000 0.261 875 K C -0.402 176.111 176.600 -0.145 0.000 0.947 875 K CA 0.535 56.749 56.287 -0.122 0.000 0.702 875 K CB -1.267 31.076 32.500 -0.263 0.000 1.318 875 K HN 0.556 nan 8.250 nan 0.000 0.473 876 I N -1.828 118.748 120.570 0.009 0.000 2.828 876 I HA 0.550 4.723 4.170 0.005 0.000 0.295 876 I C -0.275 175.880 176.117 0.062 0.000 1.459 876 I CA -0.262 61.091 61.300 0.088 0.000 1.015 876 I CB 2.123 40.262 38.000 0.231 0.000 1.345 876 I HN 0.199 nan 8.210 nan 0.000 0.449 877 G N 6.149 114.965 108.800 0.026 0.000 2.340 877 G HA2 0.423 4.386 3.960 0.005 0.000 0.299 877 G HA3 0.423 4.386 3.960 0.005 0.000 0.299 877 G C -1.720 173.035 174.900 -0.243 0.000 1.291 877 G CA -0.645 44.417 45.100 -0.062 0.000 0.841 877 G HN 0.729 nan 8.290 nan 0.000 0.500 878 M N -0.929 118.476 119.600 -0.325 0.000 2.578 878 M HA 0.914 5.396 4.480 0.005 0.000 0.321 878 M C -1.523 174.644 176.300 -0.222 0.000 1.182 878 M CA -0.850 54.164 55.300 -0.477 0.000 0.965 878 M CB 2.178 34.417 32.600 -0.602 0.000 1.694 878 M HN 0.298 nan 8.290 nan 0.000 0.461 879 I N 1.071 121.508 120.570 -0.222 0.000 2.608 879 I HA 0.337 4.510 4.170 0.005 0.000 0.295 879 I C -0.264 175.652 176.117 -0.334 0.000 1.049 879 I CA -0.328 60.860 61.300 -0.188 0.000 1.063 879 I CB 2.210 40.133 38.000 -0.128 0.000 1.248 879 I HN 0.836 nan 8.210 nan 0.000 0.424 880 E N 5.549 125.419 120.200 -0.549 0.000 2.366 880 E HA 0.370 4.723 4.350 0.005 0.000 0.266 880 E C -1.020 175.376 176.600 -0.340 0.000 1.051 880 E CA -0.335 55.650 56.400 -0.692 0.000 0.884 880 E CB 0.873 30.039 29.700 -0.891 0.000 1.006 880 E HN 0.473 nan 8.360 nan 0.000 0.417 881 I N 4.709 125.134 120.570 -0.242 0.000 2.328 881 I HA 0.119 4.292 4.170 0.005 0.000 0.287 881 I C -0.537 175.513 176.117 -0.113 0.000 1.012 881 I CA -0.874 60.275 61.300 -0.251 0.000 1.195 881 I CB 1.506 39.230 38.000 -0.461 0.000 1.350 881 I HN 0.329 nan 8.210 nan 0.000 0.464 882 V N 6.899 126.767 119.914 -0.075 0.000 2.479 882 V HA 0.083 4.205 4.120 0.005 0.000 0.281 882 V C 0.519 176.679 176.094 0.110 0.000 1.031 882 V CA -0.529 61.758 62.300 -0.021 0.000 1.038 882 V CB 0.359 32.073 31.823 -0.181 0.000 0.981 882 V HN 0.549 nan 8.190 nan 0.000 0.478 883 K N 3.542 124.010 120.400 0.114 0.000 2.401 883 K HA 0.133 4.455 4.320 0.005 0.000 0.278 883 K C 0.495 177.215 176.600 0.199 0.000 1.018 883 K CA 0.393 56.776 56.287 0.160 0.000 0.981 883 K CB -0.167 32.412 32.500 0.132 0.000 0.933 883 K HN 0.771 nan 8.250 nan 0.000 0.477 884 D N -0.021 120.516 120.400 0.228 0.000 2.800 884 D HA -0.207 4.436 4.640 0.005 0.000 0.232 884 D C -0.894 175.597 176.300 0.318 0.000 1.137 884 D CA 1.133 55.283 54.000 0.250 0.000 0.718 884 D CB -0.931 39.991 40.800 0.205 0.000 1.084 884 D HN 0.523 nan 8.370 nan 0.000 0.432 885 A N 0.061 123.071 122.820 0.316 0.000 2.337 885 A HA 0.763 5.086 4.320 0.005 0.000 0.329 885 A C 0.281 177.967 177.584 0.171 0.000 1.146 885 A CA -0.174 52.048 52.037 0.308 0.000 0.800 885 A CB 1.768 21.041 19.000 0.455 0.000 1.220 885 A HN 0.014 nan 8.150 nan 0.000 0.472 886 T N 1.207 115.761 114.554 -0.001 0.000 2.909 886 T HA 0.527 4.879 4.350 0.005 0.000 0.299 886 T C -0.034 174.503 174.700 -0.272 0.000 1.073 886 T CA -0.414 61.603 62.100 -0.139 0.000 0.999 886 T CB 1.500 70.217 68.868 -0.251 0.000 1.098 886 T HN 0.677 nan 8.240 nan 0.000 0.477 887 T N 2.686 117.092 114.554 -0.247 0.000 2.900 887 T HA 0.134 4.486 4.350 0.005 0.000 0.307 887 T C 1.595 176.107 174.700 -0.313 0.000 1.065 887 T CA -0.666 61.261 62.100 -0.288 0.000 1.105 887 T CB 0.340 69.067 68.868 -0.237 0.000 0.979 887 T HN 0.359 nan 8.240 nan 0.000 0.544 888 I N 1.158 121.550 120.570 -0.297 0.000 2.353 888 I HA -0.074 4.099 4.170 0.005 0.000 0.248 888 I C 2.725 178.672 176.117 -0.282 0.000 1.119 888 I CA 1.062 62.215 61.300 -0.246 0.000 1.417 888 I CB -1.996 35.929 38.000 -0.124 0.000 1.078 888 I HN 0.790 nan 8.210 nan 0.000 0.421 889 A N 1.355 123.988 122.820 -0.312 0.000 1.859 889 A HA -0.293 4.030 4.320 0.005 0.000 0.217 889 A C 2.457 179.901 177.584 -0.233 0.000 1.198 889 A CA 2.338 54.193 52.037 -0.303 0.000 0.629 889 A CB -0.791 18.043 19.000 -0.277 0.000 0.830 889 A HN 0.402 nan 8.150 nan 0.000 0.446 890 K N -0.598 119.681 120.400 -0.201 0.000 2.160 890 K HA -0.144 4.179 4.320 0.005 0.000 0.206 890 K C 1.713 178.199 176.600 -0.189 0.000 1.047 890 K CA 1.508 57.699 56.287 -0.160 0.000 0.930 890 K CB -0.247 32.165 32.500 -0.147 0.000 0.720 890 K HN 0.414 nan 8.250 nan 0.000 0.450 891 I N 1.343 121.747 120.570 -0.276 0.000 2.361 891 I HA -0.235 3.938 4.170 0.005 0.000 0.251 891 I C 2.306 178.299 176.117 -0.207 0.000 1.133 891 I CA 1.279 62.382 61.300 -0.328 0.000 1.413 891 I CB -0.759 36.975 38.000 -0.444 0.000 1.073 891 I HN 0.375 nan 8.210 nan 0.000 0.424 892 Q N 0.597 120.258 119.800 -0.230 0.000 2.036 892 Q HA -0.133 4.209 4.340 0.005 0.000 0.195 892 Q C 1.938 177.859 176.000 -0.132 0.000 0.971 892 Q CA 1.005 56.665 55.803 -0.240 0.000 0.826 892 Q CB -0.448 27.997 28.738 -0.489 0.000 0.896 892 Q HN 0.688 nan 8.270 nan 0.000 0.449 893 Q N -0.085 119.653 119.800 -0.103 0.000 2.518 893 Q HA 0.076 4.419 4.340 0.005 0.000 0.217 893 Q C 0.519 176.503 176.000 -0.026 0.000 0.974 893 Q CA 0.475 56.260 55.803 -0.030 0.000 0.971 893 Q CB -0.008 28.727 28.738 -0.005 0.000 0.988 893 Q HN -0.079 nan 8.270 nan 0.000 0.536 894 S N -0.480 115.199 115.700 -0.035 0.000 2.574 894 S HA 0.162 4.634 4.470 0.005 0.000 0.242 894 S C 0.321 174.937 174.600 0.027 0.000 0.982 894 S CA -0.062 58.139 58.200 0.001 0.000 0.977 894 S CB 0.667 63.872 63.200 0.008 0.000 0.814 894 S HN 0.470 nan 8.310 nan 0.000 0.464 895 T N -0.476 114.085 114.554 0.011 0.000 3.608 895 T HA 0.157 4.510 4.350 0.005 0.000 0.293 895 T C 0.987 175.692 174.700 0.008 0.000 0.933 895 T CA 0.084 62.197 62.100 0.022 0.000 1.081 895 T CB 0.094 68.978 68.868 0.027 0.000 1.166 895 T HN 0.072 nan 8.240 nan 0.000 0.500 896 V N 0.892 120.806 119.914 -0.001 0.000 6.323 896 V HA 0.756 4.879 4.120 0.005 0.000 0.271 896 V C 1.562 177.665 176.094 0.015 0.000 1.576 896 V CA 0.237 62.541 62.300 0.005 0.000 0.608 896 V CB -0.161 31.672 31.823 0.016 0.000 1.450 896 V HN 0.541 nan 8.190 nan 0.000 0.364 897 G N -1.222 107.597 108.800 0.032 0.000 3.008 897 G HA2 0.285 4.248 3.960 0.005 0.000 0.181 897 G HA3 0.285 4.248 3.960 0.005 0.000 0.181 897 G C 0.277 175.210 174.900 0.055 0.000 1.309 897 G CA 0.103 45.221 45.100 0.030 0.000 1.009 897 G HN 0.448 nan 8.290 nan 0.000 0.584 898 N N -1.372 117.358 118.700 0.050 0.000 2.648 898 N HA -0.033 4.710 4.740 0.005 0.000 0.234 898 N C 2.205 177.781 175.510 0.111 0.000 1.034 898 N CA 1.288 54.379 53.050 0.069 0.000 1.205 898 N CB -0.377 38.127 38.487 0.027 0.000 1.573 898 N HN 0.274 nan 8.380 nan 0.000 0.615 899 T N 1.196 115.782 114.554 0.052 0.000 2.684 899 T HA -0.126 4.227 4.350 0.005 0.000 0.267 899 T C 1.160 175.885 174.700 0.042 0.000 1.032 899 T CA 1.481 63.592 62.100 0.017 0.000 1.155 899 T CB -1.191 67.642 68.868 -0.058 0.000 0.857 899 T HN 0.563 nan 8.240 nan 0.000 0.457 903 K N 2.890 123.104 120.400 -0.310 0.000 2.363 903 K HA 0.066 4.389 4.320 0.005 0.000 0.289 903 K C 0.170 176.638 176.600 -0.220 0.000 1.063 903 K CA -0.238 55.892 56.287 -0.263 0.000 0.967 903 K CB 0.800 33.181 32.500 -0.197 0.000 0.987 903 K HN 0.413 nan 8.250 nan 0.000 0.473 904 D N 2.807 123.129 120.400 -0.129 0.000 2.271 904 D HA -0.163 4.479 4.640 0.005 0.000 0.207 904 D C 0.641 176.770 176.300 -0.285 0.000 0.983 904 D CA 1.391 55.429 54.000 0.063 0.000 0.878 904 D CB 0.235 41.079 40.800 0.072 0.000 0.920 904 D HN 0.526 nan 8.370 nan 0.000 0.479 905 E N -0.529 119.325 120.200 -0.577 0.000 2.474 905 E HA 0.077 4.429 4.350 0.005 0.000 0.195 905 E C 1.954 178.222 176.600 -0.554 0.000 1.039 905 E CA -0.146 55.760 56.400 -0.822 0.000 0.881 905 E CB 0.152 29.260 29.700 -0.987 0.000 0.970 905 E HN 0.014 nan 8.360 nan 0.000 0.486 906 V N 0.997 120.706 119.914 -0.341 0.000 2.380 906 V HA -0.275 3.848 4.120 0.005 0.000 0.251 906 V C 2.090 178.174 176.094 -0.017 0.000 1.063 906 V CA 1.643 63.825 62.300 -0.195 0.000 1.055 906 V CB -0.308 31.444 31.823 -0.117 0.000 0.657 906 V HN 0.384 nan 8.190 nan 0.000 0.455 907 L N -0.155 121.100 121.223 0.055 0.000 2.056 907 L HA -0.150 4.193 4.340 0.005 0.000 0.207 907 L C 2.424 179.435 176.870 0.236 0.000 1.078 907 L CA 1.648 56.584 54.840 0.159 0.000 0.749 907 L CB -0.448 41.716 42.059 0.175 0.000 0.901 907 L HN 0.397 nan 8.230 nan 0.000 0.433 908 N N -0.529 118.324 118.700 0.255 0.000 2.381 908 N HA -0.191 4.552 4.740 0.005 0.000 0.182 908 N C 1.645 177.347 175.510 0.319 0.000 1.025 908 N CA 1.067 54.313 53.050 0.326 0.000 0.888 908 N CB -0.073 38.688 38.487 0.456 0.000 0.965 908 N HN 0.571 nan 8.380 nan 0.000 0.438 909 H N -2.613 116.561 119.070 0.173 0.000 2.372 909 H HA -0.106 4.452 4.556 0.005 0.000 0.301 909 H C 1.592 176.971 175.328 0.084 0.000 1.065 909 H CA 0.834 56.928 56.048 0.077 0.000 1.364 909 H CB -0.049 29.762 29.762 0.082 0.000 1.406 909 H HN 0.279 nan 8.280 nan 0.000 0.521 910 W N 1.984 123.365 121.300 0.136 0.000 2.338 910 W HA -0.176 4.487 4.660 0.005 0.000 0.304 910 W C 1.840 178.405 176.519 0.076 0.000 1.212 910 W CA 1.348 58.741 57.345 0.081 0.000 1.264 910 W CB -0.324 29.177 29.460 0.069 0.000 1.142 910 W HN 0.051 nan 8.180 nan 0.000 0.512 911 L N 0.389 121.783 121.223 0.285 0.000 2.056 911 L HA -0.198 4.145 4.340 0.005 0.000 0.207 911 L C 2.434 179.350 176.870 0.076 0.000 1.078 911 L CA 1.589 56.572 54.840 0.239 0.000 0.749 911 L CB -1.178 41.189 42.059 0.513 0.000 0.901 911 L HN -0.095 nan 8.230 nan 0.000 0.433 912 K N 1.048 121.286 120.400 -0.270 0.000 2.057 912 K HA -0.189 4.133 4.320 0.005 0.000 0.206 912 K C 1.945 178.355 176.600 -0.317 0.000 1.050 912 K CA 1.761 57.651 56.287 -0.663 0.000 0.935 912 K CB -0.082 31.887 32.500 -0.884 0.000 0.715 912 K HN 0.573 nan 8.250 nan 0.000 0.439 913 E N -0.437 119.613 120.200 -0.251 0.000 2.046 913 E HA -0.100 4.253 4.350 0.005 0.000 0.190 913 E C 0.536 176.978 176.600 -0.264 0.000 0.982 913 E CA 0.769 57.036 56.400 -0.222 0.000 0.800 913 E CB -0.218 29.374 29.700 -0.180 0.000 0.756 913 E HN -0.134 nan 8.360 nan 0.000 0.449 914 K N 1.835 121.976 120.400 -0.431 0.000 2.715 914 K HA 0.130 4.452 4.320 0.005 0.000 0.248 914 K C -0.879 175.546 176.600 -0.291 0.000 1.276 914 K CA 0.196 56.181 56.287 -0.503 0.000 1.209 914 K CB -0.229 31.606 32.500 -1.109 0.000 1.509 914 K HN 0.327 nan 8.250 nan 0.000 0.261 915 S N -0.962 114.641 115.700 -0.162 0.000 2.546 915 S HA 0.215 4.687 4.470 0.005 0.000 0.303 915 S C -2.570 172.006 174.600 -0.041 0.000 1.067 915 S CA -1.085 57.078 58.200 -0.062 0.000 0.944 915 S CB 1.476 64.692 63.200 0.025 0.000 1.155 915 S HN -0.045 nan 8.310 nan 0.000 0.449 916 P HA -0.088 nan 4.420 nan 0.000 0.203 916 P C 0.883 178.181 177.300 -0.004 0.000 0.967 916 P CA 1.784 64.875 63.100 -0.016 0.000 0.946 916 P CB -0.452 31.245 31.700 -0.004 0.000 0.690 917 T N -2.157 112.405 114.554 0.015 0.000 2.868 917 T HA 0.111 4.463 4.350 0.005 0.000 0.292 917 T C 1.106 175.840 174.700 0.056 0.000 1.028 917 T CA -0.513 61.603 62.100 0.026 0.000 1.059 917 T CB 0.729 69.613 68.868 0.027 0.000 0.991 917 T HN 0.048 nan 8.240 nan 0.000 0.531 918 E N 0.951 121.189 120.200 0.062 0.000 2.106 918 E HA -0.131 4.222 4.350 0.005 0.000 0.192 918 E C 1.973 178.642 176.600 0.115 0.000 0.984 918 E CA 1.163 57.632 56.400 0.115 0.000 0.806 918 E CB -0.091 29.663 29.700 0.090 0.000 0.750 918 E HN 0.823 nan 8.360 nan 0.000 0.458 919 E N 0.609 120.850 120.200 0.068 0.000 2.219 919 E HA -0.196 4.157 4.350 0.005 0.000 0.198 919 E C 1.929 178.552 176.600 0.039 0.000 0.998 919 E CA 1.154 57.582 56.400 0.046 0.000 0.818 919 E CB 0.037 29.758 29.700 0.035 0.000 0.741 919 E HN 0.125 nan 8.360 nan 0.000 0.477 920 K N -0.328 120.106 120.400 0.057 0.000 2.067 920 K HA -0.035 4.287 4.320 0.005 0.000 0.203 920 K C 1.848 178.484 176.600 0.060 0.000 1.048 920 K CA 0.663 56.978 56.287 0.048 0.000 0.954 920 K CB -0.151 32.380 32.500 0.050 0.000 0.737 920 K HN 0.058 nan 8.250 nan 0.000 0.444 921 F N 2.715 122.651 119.950 -0.023 0.000 2.250 921 F HA -0.204 4.326 4.527 0.005 0.000 0.301 921 F C 2.090 177.874 175.800 -0.027 0.000 1.077 921 F CA 1.367 59.350 58.000 -0.029 0.000 1.348 921 F CB 0.018 38.999 39.000 -0.031 0.000 1.040 921 F HN 0.023 nan 8.300 nan 0.000 0.509 922 Q N 0.587 120.287 119.800 -0.166 0.000 2.016 922 Q HA -0.124 4.219 4.340 0.005 0.000 0.200 922 Q C 2.618 178.468 176.000 -0.250 0.000 0.978 922 Q CA 1.561 57.223 55.803 -0.234 0.000 0.833 922 Q CB -1.154 27.547 28.738 -0.062 0.000 0.895 922 Q HN 0.502 nan 8.270 nan 0.000 0.427 923 A N 1.416 124.151 122.820 -0.143 0.000 1.859 923 A HA -0.211 4.112 4.320 0.005 0.000 0.217 923 A C 2.377 179.867 177.584 -0.156 0.000 1.198 923 A CA 2.640 54.606 52.037 -0.118 0.000 0.629 923 A CB -1.130 17.838 19.000 -0.053 0.000 0.830 923 A HN 0.402 nan 8.150 nan 0.000 0.446 924 A N -0.727 122.009 122.820 -0.140 0.000 1.940 924 A HA -0.173 4.150 4.320 0.005 0.000 0.221 924 A C 2.247 179.730 177.584 -0.167 0.000 1.190 924 A CA 2.448 54.426 52.037 -0.098 0.000 0.647 924 A CB -1.259 17.720 19.000 -0.035 0.000 0.821 924 A HN 0.621 nan 8.150 nan 0.000 0.457 925 V N -0.192 119.481 119.914 -0.401 0.000 2.407 925 V HA -0.252 3.871 4.120 0.005 0.000 0.248 925 V C 2.515 178.441 176.094 -0.281 0.000 1.055 925 V CA 2.448 64.499 62.300 -0.414 0.000 1.049 925 V CB -0.835 30.599 31.823 -0.649 0.000 0.662 925 V HN 0.767 nan 8.190 nan 0.000 0.455 926 E N 1.183 121.201 120.200 -0.303 0.000 2.012 926 E HA -0.267 4.086 4.350 0.005 0.000 0.197 926 E C 2.311 178.655 176.600 -0.426 0.000 1.007 926 E CA 1.836 57.996 56.400 -0.400 0.000 0.816 926 E CB -0.408 29.095 29.700 -0.329 0.000 0.762 926 E HN 0.362 nan 8.360 nan 0.000 0.451 927 R N -1.031 119.338 120.500 -0.218 0.000 2.170 927 R HA -0.119 4.223 4.340 0.005 0.000 0.242 927 R C 2.196 178.492 176.300 -0.007 0.000 1.145 927 R CA 1.453 57.500 56.100 -0.088 0.000 0.984 927 R CB -0.635 29.668 30.300 0.005 0.000 0.869 927 R HN 0.359 nan 8.270 nan 0.000 0.455 928 F N -0.792 119.079 119.950 -0.132 0.000 2.293 928 F HA -0.065 4.465 4.527 0.005 0.000 0.297 928 F C 1.620 177.375 175.800 -0.076 0.000 1.089 928 F CA 0.930 58.873 58.000 -0.095 0.000 1.377 928 F CB 0.028 38.956 39.000 -0.120 0.000 1.051 928 F HN -0.186 nan 8.300 nan 0.000 0.511 929 V N -0.132 119.784 119.914 0.004 0.000 2.323 929 V HA -0.297 3.826 4.120 0.005 0.000 0.244 929 V C 2.098 178.262 176.094 0.116 0.000 1.041 929 V CA 1.994 64.324 62.300 0.050 0.000 1.025 929 V CB -1.097 30.745 31.823 0.032 0.000 0.656 929 V HN 0.401 nan 8.190 nan 0.000 0.451 930 Y N 1.374 121.632 120.300 -0.070 0.000 2.070 930 Y HA -0.274 4.279 4.550 0.005 0.000 0.279 930 Y C 3.046 178.841 175.900 -0.174 0.000 1.134 930 Y CA 1.294 59.305 58.100 -0.148 0.000 1.113 930 Y CB -0.630 37.734 38.460 -0.160 0.000 0.981 930 Y HN 0.410 nan 8.280 nan 0.000 0.487 931 S N -0.717 115.017 115.700 0.057 0.000 2.420 931 S HA -0.276 4.197 4.470 0.005 0.000 0.237 931 S C 1.986 176.608 174.600 0.036 0.000 1.023 931 S CA 1.224 59.452 58.200 0.046 0.000 0.991 931 S CB -1.305 61.978 63.200 0.138 0.000 0.792 931 S HN 0.600 nan 8.310 nan 0.000 0.488 932 C N 1.724 120.946 119.300 -0.130 0.000 2.446 932 C HA 0.271 4.733 4.460 0.005 0.000 0.277 932 C C 3.156 178.212 174.990 0.110 0.000 1.275 932 C CA 0.740 59.656 59.018 -0.171 0.000 1.727 932 C CB -1.648 25.776 27.740 -0.526 0.000 2.010 932 C HN 0.713 nan 8.230 nan 0.000 0.486 933 A N 0.532 123.401 122.820 0.082 0.000 1.898 933 A HA 0.124 4.447 4.320 0.005 0.000 0.216 933 A C 2.448 179.913 177.584 -0.198 0.000 1.181 933 A CA 2.085 54.038 52.037 -0.140 0.000 0.620 933 A CB -1.574 17.182 19.000 -0.408 0.000 0.819 933 A HN 0.683 nan 8.150 nan 0.000 0.442 934 G N -0.972 107.675 108.800 -0.255 0.000 2.631 934 G HA2 -0.323 3.639 3.960 0.005 0.000 0.219 934 G HA3 -0.323 3.639 3.960 0.005 0.000 0.219 934 G C 1.394 176.191 174.900 -0.170 0.000 1.214 934 G CA 1.464 46.361 45.100 -0.338 0.000 0.785 934 G HN 0.588 nan 8.290 nan 0.000 0.596 935 Y N -0.150 120.153 120.300 0.005 0.000 2.571 935 Y HA 0.006 4.558 4.550 0.005 0.000 0.294 935 Y C 2.959 178.834 175.900 -0.040 0.000 1.141 935 Y CA 0.109 58.191 58.100 -0.030 0.000 1.308 935 Y CB -0.245 38.142 38.460 -0.122 0.000 1.002 935 Y HN 0.227 nan 8.280 nan 0.000 0.551 936 C N -1.243 118.071 119.300 0.024 0.000 2.508 936 C HA -0.113 4.350 4.460 0.005 0.000 0.280 936 C C 2.664 177.541 174.990 -0.187 0.000 1.262 936 C CA 0.942 59.786 59.018 -0.289 0.000 1.706 936 C CB -0.972 26.526 27.740 -0.403 0.000 2.078 936 C HN 0.347 nan 8.230 nan 0.000 0.480 937 V N 1.741 121.685 119.914 0.051 0.000 2.223 937 V HA -0.183 3.940 4.120 0.005 0.000 0.244 937 V C 2.732 179.025 176.094 0.332 0.000 1.045 937 V CA 2.300 64.762 62.300 0.270 0.000 1.000 937 V CB -1.647 30.288 31.823 0.186 0.000 0.635 937 V HN 0.579 nan 8.190 nan 0.000 0.445 938 A N -0.310 122.674 122.820 0.274 0.000 1.869 938 A HA -0.352 3.971 4.320 0.005 0.000 0.218 938 A C 2.468 180.157 177.584 0.175 0.000 1.203 938 A CA 3.099 55.237 52.037 0.168 0.000 0.638 938 A CB -1.404 17.643 19.000 0.077 0.000 0.831 938 A HN 0.476 nan 8.150 nan 0.000 0.450 939 T N -1.918 112.751 114.554 0.191 0.000 2.803 939 T HA -0.141 4.212 4.350 0.005 0.000 0.269 939 T C 1.519 176.431 174.700 0.354 0.000 1.052 939 T CA 1.715 63.960 62.100 0.242 0.000 1.136 939 T CB -0.437 68.564 68.868 0.222 0.000 0.864 939 T HN 0.421 nan 8.240 nan 0.000 0.467 940 F N 1.535 121.625 119.950 0.234 0.000 2.060 940 F HA 0.012 4.542 4.527 0.005 0.000 0.295 940 F C 2.272 178.281 175.800 0.349 0.000 1.120 940 F CA 0.893 59.088 58.000 0.324 0.000 1.205 940 F CB -0.947 38.251 39.000 0.330 0.000 0.986 940 F HN -0.035 nan 8.300 nan 0.000 0.470 941 V N 1.109 121.092 119.914 0.116 0.000 2.453 941 V HA -0.323 3.799 4.120 0.005 0.000 0.252 941 V C 2.498 178.622 176.094 0.049 0.000 1.068 941 V CA 2.057 64.328 62.300 -0.048 0.000 1.070 941 V CB -0.884 30.963 31.823 0.039 0.000 0.664 941 V HN 0.401 nan 8.190 nan 0.000 0.461 942 L N -0.051 121.260 121.223 0.147 0.000 2.341 942 L HA 0.237 4.579 4.340 0.005 0.000 0.214 942 L C 1.620 178.602 176.870 0.186 0.000 1.115 942 L CA 0.871 55.834 54.840 0.205 0.000 0.820 942 L CB -0.520 41.639 42.059 0.166 0.000 0.944 942 L HN 0.559 nan 8.230 nan 0.000 0.452 943 G N 1.646 110.536 108.800 0.149 0.000 2.291 943 G HA2 -0.262 3.701 3.960 0.005 0.000 0.271 943 G HA3 -0.262 3.701 3.960 0.005 0.000 0.271 943 G C 0.433 175.360 174.900 0.045 0.000 1.099 943 G CA 0.426 45.465 45.100 -0.102 0.000 0.919 943 G HN 0.586 nan 8.290 nan 0.000 0.496 944 I N -4.182 116.509 120.570 0.201 0.000 3.820 944 I HA 0.488 4.661 4.170 0.005 0.000 0.323 944 I C 1.209 177.530 176.117 0.341 0.000 1.482 944 I CA 0.077 61.528 61.300 0.251 0.000 1.048 944 I CB 0.362 38.528 38.000 0.276 0.000 1.436 944 I HN 0.095 nan 8.210 nan 0.000 0.575 945 G N 0.423 109.452 108.800 0.383 0.000 2.985 945 G HA2 -0.029 3.934 3.960 0.005 0.000 0.209 945 G HA3 -0.029 3.934 3.960 0.005 0.000 0.209 945 G C 0.106 175.256 174.900 0.418 0.000 1.165 945 G CA 0.163 45.547 45.100 0.472 0.000 0.776 945 G HN 0.347 nan 8.290 nan 0.000 0.541 946 D N 0.893 121.498 120.400 0.341 0.000 2.505 946 D HA 0.294 4.937 4.640 0.005 0.000 0.242 946 D C 0.052 176.498 176.300 0.243 0.000 1.136 946 D CA -0.226 53.988 54.000 0.357 0.000 0.954 946 D CB 0.141 41.179 40.800 0.397 0.000 1.002 946 D HN 0.169 nan 8.370 nan 0.000 0.512 947 R N 1.164 121.684 120.500 0.033 0.000 2.744 947 R HA 0.275 4.618 4.340 0.005 0.000 0.279 947 R C -0.335 175.626 176.300 -0.564 0.000 0.977 947 R CA -1.035 54.836 56.100 -0.382 0.000 0.906 947 R CB 1.643 31.794 30.300 -0.248 0.000 1.197 947 R HN 0.290 nan 8.270 nan 0.000 0.463 948 H N 1.711 120.171 119.070 -1.017 0.000 2.848 948 H HA 0.057 4.616 4.556 0.004 0.000 0.341 948 H C 0.882 175.983 175.328 -0.380 0.000 1.060 948 H CA 0.406 56.049 56.048 -0.675 0.000 1.444 948 H CB 0.667 30.036 29.762 -0.655 0.000 1.446 948 H HN 0.488 nan 8.280 nan 0.000 0.583 949 N N 3.066 121.274 118.700 -0.820 0.000 2.202 949 N HA -0.279 4.464 4.740 0.005 0.000 0.197 949 N C 1.082 176.167 175.510 -0.709 0.000 0.995 949 N CA 1.902 54.539 53.050 -0.688 0.000 0.894 949 N CB -0.223 37.929 38.487 -0.559 0.000 1.010 949 N HN 0.792 nan 8.380 nan 0.000 0.453 950 D N 0.044 119.864 120.400 -0.967 0.000 2.351 950 D HA -0.047 4.596 4.640 0.005 0.000 0.216 950 D C 0.374 176.460 176.300 -0.355 0.000 0.968 950 D CA 0.842 54.564 54.000 -0.463 0.000 0.899 950 D CB -0.225 40.462 40.800 -0.187 0.000 0.907 950 D HN 0.380 nan 8.370 nan 0.000 0.514 951 N N -0.608 117.842 118.700 -0.418 0.000 2.275 951 N HA 0.147 4.889 4.740 0.005 0.000 0.236 951 N C -0.847 174.371 175.510 -0.486 0.000 1.154 951 N CA -0.346 52.467 53.050 -0.395 0.000 0.866 951 N CB 0.980 39.242 38.487 -0.376 0.000 1.093 951 N HN 0.081 nan 8.380 nan 0.000 0.515 952 I N 1.549 121.828 120.570 -0.486 0.000 2.447 952 I HA 0.404 4.576 4.170 0.005 0.000 0.287 952 I C -0.338 175.505 176.117 -0.458 0.000 1.023 952 I CA -0.208 60.786 61.300 -0.509 0.000 1.083 952 I CB 1.371 39.135 38.000 -0.394 0.000 1.245 952 I HN -0.037 nan 8.210 nan 0.000 0.434 953 M N 6.416 125.635 119.600 -0.636 0.000 2.662 953 M HA 0.656 5.139 4.480 0.005 0.000 0.310 953 M C -0.819 175.133 176.300 -0.580 0.000 1.204 953 M CA -0.837 54.031 55.300 -0.720 0.000 0.891 953 M CB 3.655 35.557 32.600 -1.164 0.000 1.732 953 M HN 0.516 nan 8.290 nan 0.000 0.467 954 I N 0.370 120.750 120.570 -0.316 0.000 2.894 954 I HA 0.591 4.764 4.170 0.005 0.000 0.302 954 I C -0.748 175.460 176.117 0.152 0.000 1.188 954 I CA -0.311 60.971 61.300 -0.029 0.000 1.014 954 I CB 2.686 40.695 38.000 0.016 0.000 1.242 954 I HN 0.861 nan 8.210 nan 0.000 0.430 955 T N 0.686 115.444 114.554 0.340 0.000 2.945 955 T HA 0.414 4.766 4.350 0.005 0.000 0.286 955 T C 0.565 175.602 174.700 0.562 0.000 1.025 955 T CA -0.613 61.745 62.100 0.429 0.000 1.039 955 T CB 1.624 70.700 68.868 0.347 0.000 1.068 955 T HN 0.700 nan 8.240 nan 0.000 0.497 956 E N 0.076 120.571 120.200 0.492 0.000 2.401 956 E HA -0.078 4.275 4.350 0.005 0.000 0.199 956 E C 1.331 177.998 176.600 0.112 0.000 1.023 956 E CA 0.737 57.218 56.400 0.135 0.000 0.859 956 E CB -0.073 29.601 29.700 -0.042 0.000 0.780 956 E HN 0.661 nan 8.360 nan 0.000 0.523 957 T N -1.410 113.252 114.554 0.181 0.000 3.086 957 T HA 0.210 4.563 4.350 0.005 0.000 0.250 957 T C 1.064 175.848 174.700 0.140 0.000 1.074 957 T CA 0.712 62.887 62.100 0.126 0.000 0.988 957 T CB 0.345 69.275 68.868 0.104 0.000 0.988 957 T HN 0.433 nan 8.240 nan 0.000 0.530 958 G N 1.452 110.384 108.800 0.220 0.000 2.278 958 G HA2 -0.187 3.776 3.960 0.005 0.000 0.210 958 G HA3 -0.187 3.776 3.960 0.005 0.000 0.210 958 G C 0.120 175.173 174.900 0.256 0.000 1.000 958 G CA -0.330 44.905 45.100 0.226 0.000 0.635 958 G HN 0.486 nan 8.290 nan 0.000 0.495 959 N N 0.933 119.772 118.700 0.231 0.000 2.497 959 N HA 0.511 5.254 4.740 0.005 0.000 0.271 959 N C 0.023 175.707 175.510 0.290 0.000 1.142 959 N CA -0.018 53.173 53.050 0.236 0.000 0.965 959 N CB 1.140 39.766 38.487 0.231 0.000 1.077 959 N HN 0.594 nan 8.380 nan 0.000 0.462 960 L N 3.733 125.084 121.223 0.213 0.000 2.332 960 L HA 0.793 5.135 4.340 0.005 0.000 0.269 960 L C -1.191 175.815 176.870 0.227 0.000 1.016 960 L CA -0.703 54.201 54.840 0.106 0.000 0.809 960 L CB 0.896 42.865 42.059 -0.150 0.000 1.280 960 L HN 0.573 nan 8.230 nan 0.000 0.447 961 F N -0.582 119.242 119.950 -0.211 0.000 2.660 961 F HA 0.400 4.929 4.527 0.004 0.000 0.320 961 F C -1.176 174.457 175.800 -0.279 0.000 1.099 961 F CA -0.892 56.808 58.000 -0.500 0.000 1.061 961 F CB 0.270 39.270 39.000 0.000 0.000 1.300 961 F HN 0.520 nan 8.300 nan 0.000 0.479 962 H N 3.710 122.502 119.070 -0.463 0.000 2.603 962 H HA 0.796 5.355 4.556 0.005 0.000 0.370 962 H C 0.039 175.427 175.328 0.099 0.000 1.225 962 H CA 0.104 56.055 56.048 -0.161 0.000 1.410 962 H CB 2.055 31.831 29.762 0.024 0.000 1.495 962 H HN 0.804 nan 8.280 nan 0.000 0.602 963 I N -2.597 117.864 120.570 -0.182 0.000 3.352 963 I HA 0.319 4.491 4.170 0.005 0.000 0.316 963 I C -1.270 174.435 176.117 -0.685 0.000 1.214 963 I CA -1.016 60.153 61.300 -0.218 0.000 0.934 963 I CB 2.507 40.432 38.000 -0.124 0.000 1.310 963 I HN 0.550 nan 8.210 nan 0.000 0.475 964 D N 1.216 121.386 120.400 -0.382 0.000 5.864 964 D HA -0.168 4.474 4.640 0.005 0.000 0.244 964 D C -0.867 175.129 176.300 -0.506 0.000 1.511 964 D CA 1.293 55.116 54.000 -0.296 0.000 1.451 964 D CB -0.277 40.377 40.800 -0.243 0.000 0.732 964 D HN 0.643 nan 8.370 nan 0.000 0.394 965 F N -0.310 119.682 119.950 0.070 0.000 2.915 965 F HA 0.206 4.736 4.527 0.005 0.000 0.347 965 F C 1.786 177.583 175.800 -0.004 0.000 1.104 965 F CA -0.176 57.849 58.000 0.043 0.000 1.126 965 F CB 1.063 40.087 39.000 0.040 0.000 1.145 965 F HN 0.343 nan 8.300 nan 0.000 0.541 966 G N 1.188 110.078 108.800 0.150 0.000 2.821 966 G HA2 0.285 4.247 3.960 0.005 0.000 0.289 966 G HA3 0.285 4.247 3.960 0.005 0.000 0.289 966 G C -0.190 174.799 174.900 0.149 0.000 0.771 966 G CA 0.441 45.597 45.100 0.094 0.000 1.908 966 G HN 0.333 nan 8.290 nan 0.000 0.539 982 R N -0.230 120.240 120.500 -0.050 0.000 2.602 982 R HA 0.791 5.134 4.340 0.005 0.000 0.237 982 R C 0.195 176.499 176.300 0.006 0.000 1.219 982 R CA -0.914 55.178 56.100 -0.013 0.000 1.121 982 R CB 0.616 30.932 30.300 0.027 0.000 1.408 982 R HN 0.261 nan 8.270 nan 0.000 0.559 983 V N -1.963 117.985 119.914 0.056 0.000 3.225 983 V HA 0.343 4.465 4.120 0.005 0.000 0.293 983 V C -2.080 174.057 176.094 0.071 0.000 1.405 983 V CA -1.311 60.999 62.300 0.017 0.000 1.038 983 V CB 1.905 33.724 31.823 -0.006 0.000 1.123 983 V HN 0.657 nan 8.190 nan 0.000 0.447 984 P HA 0.059 nan 4.420 nan 0.000 0.213 984 P C 0.284 177.766 177.300 0.303 0.000 1.170 984 P CA 1.772 64.886 63.100 0.025 0.000 0.889 984 P CB 0.211 31.608 31.700 -0.505 0.000 0.782 985 F N -2.943 117.061 119.950 0.091 0.000 4.063 985 F HA 0.606 5.135 4.527 0.004 0.000 0.330 985 F C -1.329 174.563 175.800 0.152 0.000 1.176 985 F CA -1.162 56.946 58.000 0.180 0.000 0.895 985 F CB 0.252 39.371 39.000 0.198 0.000 1.770 985 F HN -0.427 nan 8.300 nan 0.000 0.517 986 V N 1.716 121.950 119.914 0.532 0.000 2.482 986 V HA 0.565 4.688 4.120 0.005 0.000 0.295 986 V C -1.342 174.995 176.094 0.404 0.000 1.026 986 V CA -0.243 62.230 62.300 0.288 0.000 0.856 986 V CB 1.479 33.455 31.823 0.256 0.000 1.001 986 V HN 0.646 nan 8.190 nan 0.000 0.424 987 L N 5.845 127.139 121.223 0.118 0.000 2.980 987 L HA 0.388 4.731 4.340 0.005 0.000 0.314 987 L C 0.827 177.602 176.870 -0.158 0.000 1.303 987 L CA 0.124 55.060 54.840 0.159 0.000 0.785 987 L CB 0.624 42.805 42.059 0.203 0.000 1.190 987 L HN 0.798 nan 8.230 nan 0.000 0.567 988 T N -1.971 112.284 114.554 -0.499 0.000 2.855 988 T HA 0.133 4.486 4.350 0.005 0.000 0.322 988 T C -1.583 172.740 174.700 -0.629 0.000 1.088 988 T CA -0.620 60.975 62.100 -0.842 0.000 1.104 988 T CB 0.126 68.206 68.868 -1.314 0.000 0.996 988 T HN 0.168 nan 8.240 nan 0.000 0.549 989 P HA -0.143 nan 4.420 nan 0.000 0.218 989 P C 1.449 178.812 177.300 0.106 0.000 1.146 989 P CA 1.268 64.271 63.100 -0.161 0.000 0.813 989 P CB -0.052 31.675 31.700 0.046 0.000 0.778 990 D N -1.500 118.945 120.400 0.076 0.000 2.183 990 D HA -0.158 4.484 4.640 0.005 0.000 0.203 990 D C 1.515 178.057 176.300 0.403 0.000 0.969 990 D CA 1.133 55.295 54.000 0.270 0.000 0.842 990 D CB -0.772 40.198 40.800 0.282 0.000 0.957 990 D HN 0.096 nan 8.370 nan 0.000 0.484 991 F N 1.186 121.232 119.950 0.161 0.000 2.104 991 F HA 0.171 4.700 4.527 0.004 0.000 0.288 991 F C 2.686 178.612 175.800 0.209 0.000 1.107 991 F CA -0.144 58.051 58.000 0.325 0.000 1.208 991 F CB -1.304 37.907 39.000 0.353 0.000 1.033 991 F HN -0.115 nan 8.300 nan 0.000 0.478 992 L N -0.838 120.568 121.223 0.305 0.000 2.064 992 L HA -0.312 4.031 4.340 0.005 0.000 0.216 992 L C 2.504 179.483 176.870 0.181 0.000 1.077 992 L CA 1.644 56.579 54.840 0.158 0.000 0.766 992 L CB -0.889 41.172 42.059 0.004 0.000 0.890 992 L HN 0.055 nan 8.230 nan 0.000 0.435 993 F N 0.249 120.243 119.950 0.074 0.000 2.095 993 F HA -0.207 4.323 4.527 0.004 0.000 0.298 993 F C 2.316 178.154 175.800 0.064 0.000 1.104 993 F CA 1.655 59.694 58.000 0.064 0.000 1.232 993 F CB -0.441 38.599 39.000 0.067 0.000 0.987 993 F HN -0.244 nan 8.300 nan 0.000 0.475 994 V N 0.817 120.745 119.914 0.024 0.000 2.380 994 V HA -0.375 3.748 4.120 0.005 0.000 0.251 994 V C 2.352 178.346 176.094 -0.165 0.000 1.063 994 V CA 2.330 64.523 62.300 -0.178 0.000 1.055 994 V CB -0.774 30.767 31.823 -0.471 0.000 0.657 994 V HN 0.410 nan 8.190 nan 0.000 0.455 995 M N -0.412 119.188 119.600 0.001 0.000 2.492 995 M HA 0.216 4.698 4.480 0.005 0.000 0.262 995 M C 1.362 177.740 176.300 0.129 0.000 1.090 995 M CA 1.176 56.530 55.300 0.091 0.000 1.110 995 M CB 0.045 32.802 32.600 0.262 0.000 1.407 995 M HN 0.515 nan 8.290 nan 0.000 0.470 996 G N 1.794 110.580 108.800 -0.024 0.000 2.526 996 G HA2 -0.142 3.821 3.960 0.005 0.000 0.225 996 G HA3 -0.142 3.821 3.960 0.005 0.000 0.225 996 G C -0.322 174.578 174.900 0.000 0.000 1.120 996 G CA -0.135 44.927 45.100 -0.064 0.000 0.904 996 G HN 0.363 nan 8.290 nan 0.000 0.498 997 T N -0.532 114.021 114.554 -0.001 0.000 2.841 997 T HA 0.869 5.222 4.350 0.005 0.000 0.296 997 T C -0.188 174.511 174.700 -0.001 0.000 1.166 997 T CA -0.038 62.036 62.100 -0.043 0.000 1.007 997 T CB 2.324 71.057 68.868 -0.226 0.000 1.253 997 T HN 0.643 nan 8.240 nan 0.000 0.511 998 S N -0.620 115.049 115.700 -0.051 0.000 2.671 998 S HA 0.690 5.163 4.470 0.005 0.000 0.277 998 S C 0.194 174.748 174.600 -0.077 0.000 1.165 998 S CA -0.731 57.460 58.200 -0.015 0.000 0.822 998 S CB 1.455 64.679 63.200 0.040 0.000 1.150 998 S HN 1.207 nan 8.310 nan 0.000 0.479 999 G N 2.313 111.082 108.800 -0.050 0.000 2.502 999 G HA2 0.085 4.047 3.960 0.005 0.000 0.280 999 G HA3 0.085 4.047 3.960 0.005 0.000 0.280 999 G C -0.289 174.569 174.900 -0.069 0.000 0.611 999 G CA 0.477 45.540 45.100 -0.061 0.000 1.103 999 G HN 0.541 nan 8.290 nan 0.000 0.271 1000 K N 1.068 121.410 120.400 -0.098 0.000 5.760 1000 K HA -0.143 4.180 4.320 0.005 0.000 0.466 1000 K C 0.427 176.987 176.600 -0.067 0.000 1.122 1000 K CA 1.141 57.382 56.287 -0.076 0.000 1.299 1000 K CB -0.497 31.981 32.500 -0.037 0.000 1.874 1000 K HN 0.730 nan 8.250 nan 0.000 0.355 1001 K N 0.161 120.502 120.400 -0.099 0.000 2.128 1001 K HA 0.544 4.867 4.320 0.005 0.000 0.254 1001 K C -0.215 176.379 176.600 -0.010 0.000 0.872 1001 K CA -0.500 55.754 56.287 -0.055 0.000 0.733 1001 K CB 1.278 33.737 32.500 -0.068 0.000 1.521 1001 K HN 0.414 nan 8.250 nan 0.000 0.406 1002 T N -0.100 114.471 114.554 0.029 0.000 2.821 1002 T HA 0.672 5.024 4.350 0.005 0.000 0.306 1002 T C -1.407 173.359 174.700 0.111 0.000 1.313 1002 T CA -0.656 61.513 62.100 0.114 0.000 1.012 1002 T CB 1.847 70.772 68.868 0.095 0.000 1.298 1002 T HN 0.500 nan 8.240 nan 0.000 0.502 1003 S N 0.505 116.303 115.700 0.164 0.000 2.597 1003 S HA 0.362 4.835 4.470 0.005 0.000 0.274 1003 S C -2.573 172.089 174.600 0.104 0.000 1.132 1003 S CA -0.891 57.384 58.200 0.126 0.000 0.835 1003 S CB 1.677 64.976 63.200 0.165 0.000 1.092 1003 S HN 0.402 nan 8.310 nan 0.000 0.457 1004 P HA -0.046 nan 4.420 nan 0.000 0.220 1004 P C 0.902 178.142 177.300 -0.101 0.000 1.148 1004 P CA 1.182 64.223 63.100 -0.099 0.000 0.803 1004 P CB 0.068 31.630 31.700 -0.231 0.000 0.782 1005 H N -2.631 116.509 119.070 0.116 0.000 2.361 1005 H HA 0.121 4.680 4.556 0.004 0.000 0.308 1005 H C 1.710 177.169 175.328 0.219 0.000 1.053 1005 H CA 0.697 56.827 56.048 0.137 0.000 1.377 1005 H CB -1.063 28.764 29.762 0.108 0.000 1.434 1005 H HN 0.067 nan 8.280 nan 0.000 0.548 1006 F N 2.304 122.400 119.950 0.243 0.000 2.307 1006 F HA -0.167 4.362 4.527 0.005 0.000 0.301 1006 F C 2.428 178.383 175.800 0.259 0.000 1.076 1006 F CA 1.195 59.335 58.000 0.233 0.000 1.383 1006 F CB 0.004 39.087 39.000 0.139 0.000 1.055 1006 F HN 0.085 nan 8.300 nan 0.000 0.526 1007 Q N -0.296 119.640 119.800 0.227 0.000 2.123 1007 Q HA -0.206 4.137 4.340 0.005 0.000 0.199 1007 Q C 2.167 178.205 176.000 0.063 0.000 0.966 1007 Q CA 1.413 57.285 55.803 0.116 0.000 0.845 1007 Q CB -0.059 28.749 28.738 0.115 0.000 0.907 1007 Q HN 0.249 nan 8.270 nan 0.000 0.439 1008 K N 0.407 120.878 120.400 0.118 0.000 2.026 1008 K HA -0.179 4.143 4.320 0.005 0.000 0.208 1008 K C 1.606 178.260 176.600 0.089 0.000 1.048 1008 K CA 1.198 57.557 56.287 0.121 0.000 0.929 1008 K CB -0.555 32.072 32.500 0.211 0.000 0.713 1008 K HN 0.125 nan 8.250 nan 0.000 0.439 1009 F N 1.892 121.818 119.950 -0.040 0.000 2.063 1009 F HA -0.312 4.218 4.527 0.005 0.000 0.298 1009 F C 1.931 177.634 175.800 -0.163 0.000 1.109 1009 F CA 2.349 60.281 58.000 -0.114 0.000 1.212 1009 F CB -0.474 38.394 39.000 -0.220 0.000 0.973 1009 F HN 0.208 nan 8.300 nan 0.000 0.480 1010 Q N -0.684 118.944 119.800 -0.286 0.000 2.167 1010 Q HA -0.188 4.154 4.340 0.005 0.000 0.202 1010 Q C 1.864 177.746 176.000 -0.196 0.000 0.970 1010 Q CA 1.437 57.079 55.803 -0.269 0.000 0.855 1010 Q CB -0.398 28.256 28.738 -0.140 0.000 0.911 1010 Q HN 0.471 nan 8.270 nan 0.000 0.438 1011 D N 1.114 121.432 120.400 -0.136 0.000 2.117 1011 D HA -0.161 4.482 4.640 0.005 0.000 0.197 1011 D C 1.764 177.965 176.300 -0.165 0.000 0.987 1011 D CA 1.233 55.173 54.000 -0.101 0.000 0.829 1011 D CB -0.018 40.757 40.800 -0.042 0.000 0.961 1011 D HN 0.417 nan 8.370 nan 0.000 0.460 1012 I N -1.479 118.959 120.570 -0.220 0.000 2.500 1012 I HA -0.083 4.090 4.170 0.005 0.000 0.252 1012 I C 2.193 178.060 176.117 -0.416 0.000 1.142 1012 I CA 0.237 61.347 61.300 -0.316 0.000 1.451 1012 I CB -0.863 36.950 38.000 -0.312 0.000 1.093 1012 I HN 0.055 nan 8.210 nan 0.000 0.430 1013 C N 1.542 120.561 119.300 -0.468 0.000 3.206 1013 C HA -0.126 4.337 4.460 0.005 0.000 0.294 1013 C C 2.922 177.620 174.990 -0.487 0.000 1.244 1013 C CA 1.068 59.772 59.018 -0.525 0.000 1.787 1013 C CB -0.879 26.600 27.740 -0.434 0.000 2.096 1013 C HN 0.434 nan 8.230 nan 0.000 0.449 1014 V N 1.260 120.950 119.914 -0.373 0.000 2.353 1014 V HA -0.328 3.795 4.120 0.005 0.000 0.260 1014 V C 2.404 178.411 176.094 -0.146 0.000 1.091 1014 V CA 2.511 64.687 62.300 -0.207 0.000 1.088 1014 V CB -0.723 31.075 31.823 -0.042 0.000 0.672 1014 V HN 0.529 nan 8.190 nan 0.000 0.455 1015 K N 0.038 120.330 120.400 -0.179 0.000 2.025 1015 K HA -0.049 4.274 4.320 0.005 0.000 0.207 1015 K C 2.133 178.642 176.600 -0.152 0.000 1.049 1015 K CA 1.568 57.766 56.287 -0.148 0.000 0.933 1015 K CB -0.628 31.776 32.500 -0.160 0.000 0.714 1015 K HN 0.480 nan 8.250 nan 0.000 0.438 1016 A N -0.670 121.998 122.820 -0.254 0.000 1.968 1016 A HA -0.125 4.198 4.320 0.005 0.000 0.217 1016 A C 2.089 179.795 177.584 0.204 0.000 1.169 1016 A CA 1.247 53.155 52.037 -0.215 0.000 0.638 1016 A CB -0.763 17.706 19.000 -0.885 0.000 0.812 1016 A HN 0.481 nan 8.150 nan 0.000 0.446 1017 Y N 1.699 121.873 120.300 -0.210 0.000 2.109 1017 Y HA -0.170 4.382 4.550 0.005 0.000 0.285 1017 Y C 1.950 177.746 175.900 -0.172 0.000 1.131 1017 Y CA 1.882 59.839 58.100 -0.239 0.000 1.121 1017 Y CB -0.621 37.438 38.460 -0.669 0.000 0.987 1017 Y HN 0.283 nan 8.280 nan 0.000 0.495 1018 L N 0.725 121.714 121.223 -0.389 0.000 2.083 1018 L HA 0.059 4.402 4.340 0.005 0.000 0.209 1018 L C 2.398 178.864 176.870 -0.673 0.000 1.083 1018 L CA 1.953 56.447 54.840 -0.577 0.000 0.752 1018 L CB -2.103 39.739 42.059 -0.362 0.000 0.899 1018 L HN 0.165 nan 8.230 nan 0.000 0.433 1019 A N 0.453 123.061 122.820 -0.353 0.000 1.917 1019 A HA -0.151 4.172 4.320 0.005 0.000 0.219 1019 A C 2.388 179.891 177.584 -0.136 0.000 1.182 1019 A CA 2.296 54.227 52.037 -0.177 0.000 0.633 1019 A CB -1.028 18.074 19.000 0.169 0.000 0.819 1019 A HN 0.533 nan 8.150 nan 0.000 0.448 1020 L N -1.698 119.462 121.223 -0.105 0.000 2.093 1020 L HA -0.117 4.225 4.340 0.005 0.000 0.208 1020 L C 2.776 179.538 176.870 -0.180 0.000 1.085 1020 L CA 1.315 56.093 54.840 -0.103 0.000 0.755 1020 L CB -0.388 41.612 42.059 -0.098 0.000 0.904 1020 L HN 0.393 nan 8.230 nan 0.000 0.435 1021 R N -0.642 119.632 120.500 -0.377 0.000 2.159 1021 R HA -0.173 4.169 4.340 0.005 0.000 0.237 1021 R C 1.961 178.121 176.300 -0.232 0.000 1.131 1021 R CA 1.188 57.068 56.100 -0.367 0.000 0.982 1021 R CB -0.194 29.791 30.300 -0.525 0.000 0.868 1021 R HN 0.518 nan 8.270 nan 0.000 0.453 1022 H N -2.202 116.719 119.070 -0.249 0.000 2.546 1022 H HA -0.021 4.537 4.556 0.004 0.000 0.277 1022 H C 0.416 175.440 175.328 -0.506 0.000 1.004 1022 H CA 0.331 56.161 56.048 -0.362 0.000 1.231 1022 H CB 0.304 29.808 29.762 -0.432 0.000 1.382 1022 H HN 0.251 nan 8.280 nan 0.000 0.580 1023 H N -0.686 118.386 119.070 0.004 0.000 2.492 1023 H HA 0.127 4.686 4.556 0.005 0.000 0.264 1023 H C 1.138 176.438 175.328 -0.047 0.000 1.150 1023 H CA -0.084 55.951 56.048 -0.022 0.000 0.962 1023 H CB 0.497 30.235 29.762 -0.039 0.000 1.766 1023 H HN 0.248 nan 8.280 nan 0.000 0.589 1024 T N 1.154 115.710 114.554 0.002 0.000 2.597 1024 T HA -0.207 4.145 4.350 0.005 0.000 0.267 1024 T C 1.900 176.601 174.700 0.001 0.000 1.053 1024 T CA 1.924 64.004 62.100 -0.032 0.000 1.165 1024 T CB 0.069 68.900 68.868 -0.061 0.000 0.863 1024 T HN 0.409 nan 8.240 nan 0.000 0.427 1025 N N 0.887 119.600 118.700 0.020 0.000 2.137 1025 N HA -0.021 4.722 4.740 0.005 0.000 0.190 1025 N C 1.739 177.283 175.510 0.056 0.000 1.017 1025 N CA 0.674 53.747 53.050 0.038 0.000 0.859 1025 N CB -0.542 37.971 38.487 0.043 0.000 1.002 1025 N HN 0.272 nan 8.380 nan 0.000 0.428 1026 L N 0.410 121.675 121.223 0.070 0.000 1.988 1026 L HA -0.105 4.238 4.340 0.005 0.000 0.207 1026 L C 1.844 178.754 176.870 0.066 0.000 1.071 1026 L CA 1.200 56.080 54.840 0.066 0.000 0.744 1026 L CB -0.398 41.702 42.059 0.067 0.000 0.893 1026 L HN 0.207 nan 8.230 nan 0.000 0.433 1027 L N -0.379 120.875 121.223 0.052 0.000 2.081 1027 L HA -0.311 4.032 4.340 0.005 0.000 0.212 1027 L C 2.594 179.519 176.870 0.091 0.000 1.080 1027 L CA 1.055 55.922 54.840 0.045 0.000 0.754 1027 L CB -0.606 41.447 42.059 -0.009 0.000 0.893 1027 L HN 0.334 nan 8.230 nan 0.000 0.433 1028 I N -0.548 120.061 120.570 0.065 0.000 2.202 1028 I HA -0.285 3.888 4.170 0.005 0.000 0.242 1028 I C 2.599 178.816 176.117 0.167 0.000 1.091 1028 I CA 1.453 62.813 61.300 0.100 0.000 1.368 1028 I CB -0.799 37.232 38.000 0.052 0.000 1.058 1028 I HN 0.212 nan 8.210 nan 0.000 0.410 1029 I N 0.752 121.391 120.570 0.115 0.000 2.179 1029 I HA -0.258 3.915 4.170 0.005 0.000 0.242 1029 I C 2.603 178.783 176.117 0.106 0.000 1.088 1029 I CA 1.428 62.789 61.300 0.102 0.000 1.357 1029 I CB -0.560 37.487 38.000 0.079 0.000 1.051 1029 I HN 0.167 nan 8.210 nan 0.000 0.409 1030 L N -0.739 120.551 121.223 0.112 0.000 2.017 1030 L HA -0.284 4.059 4.340 0.005 0.000 0.208 1030 L C 2.624 179.545 176.870 0.085 0.000 1.073 1030 L CA 1.464 56.360 54.840 0.094 0.000 0.745 1030 L CB -0.964 41.151 42.059 0.093 0.000 0.894 1030 L HN 0.126 nan 8.230 nan 0.000 0.432 1031 F N 0.636 120.593 119.950 0.012 0.000 2.063 1031 F HA -0.339 4.190 4.527 0.004 0.000 0.298 1031 F C 2.877 178.692 175.800 0.026 0.000 1.109 1031 F CA 2.051 60.060 58.000 0.015 0.000 1.212 1031 F CB -0.380 38.636 39.000 0.026 0.000 0.973 1031 F HN -0.047 nan 8.300 nan 0.000 0.480 1032 S N -0.559 115.204 115.700 0.104 0.000 2.447 1032 S HA -0.125 4.348 4.470 0.005 0.000 0.233 1032 S C 1.917 176.502 174.600 -0.026 0.000 1.006 1032 S CA 1.195 59.413 58.200 0.031 0.000 0.957 1032 S CB -0.295 62.968 63.200 0.105 0.000 0.773 1032 S HN 0.480 nan 8.310 nan 0.000 0.507 1033 M N -0.077 119.521 119.600 -0.003 0.000 2.394 1033 M HA 0.142 4.625 4.480 0.005 0.000 0.266 1033 M C 2.179 178.472 176.300 -0.012 0.000 1.098 1033 M CA 0.719 56.054 55.300 0.060 0.000 1.149 1033 M CB -0.218 32.450 32.600 0.113 0.000 1.369 1033 M HN 0.414 nan 8.290 nan 0.000 0.450 1034 M N 0.788 120.317 119.600 -0.119 0.000 2.117 1034 M HA -0.192 4.291 4.480 0.005 0.000 0.262 1034 M C 1.747 177.923 176.300 -0.206 0.000 1.065 1034 M CA 1.715 56.905 55.300 -0.185 0.000 1.114 1034 M CB 0.012 32.458 32.600 -0.256 0.000 1.361 1034 M HN 0.247 nan 8.290 nan 0.000 0.408 1035 L N -0.278 120.786 121.223 -0.265 0.000 2.056 1035 L HA -0.179 4.164 4.340 0.005 0.000 0.207 1035 L C 2.526 179.352 176.870 -0.073 0.000 1.078 1035 L CA 1.181 55.905 54.840 -0.194 0.000 0.749 1035 L CB -0.692 41.237 42.059 -0.217 0.000 0.901 1035 L HN 0.423 nan 8.230 nan 0.000 0.433 1036 M N -0.600 118.988 119.600 -0.019 0.000 2.296 1036 M HA -0.113 4.370 4.480 0.005 0.000 0.265 1036 M C 1.980 178.293 176.300 0.022 0.000 1.064 1036 M CA 1.991 57.326 55.300 0.058 0.000 1.109 1036 M CB -0.451 32.251 32.600 0.171 0.000 1.396 1036 M HN 0.442 nan 8.290 nan 0.000 0.430 1037 T N -4.689 109.845 114.554 -0.033 0.000 2.975 1037 T HA 0.248 4.601 4.350 0.005 0.000 0.257 1037 T C 1.504 176.137 174.700 -0.111 0.000 1.003 1037 T CA 0.472 62.504 62.100 -0.114 0.000 0.932 1037 T CB 0.251 69.009 68.868 -0.183 0.000 1.087 1037 T HN 0.332 nan 8.240 nan 0.000 0.512 1038 G N 1.128 109.866 108.800 -0.104 0.000 2.651 1038 G HA2 0.433 4.396 3.960 0.005 0.000 0.207 1038 G HA3 0.433 4.396 3.960 0.005 0.000 0.207 1038 G C 0.197 175.050 174.900 -0.079 0.000 1.131 1038 G CA -0.123 44.911 45.100 -0.111 0.000 0.816 1038 G HN 0.378 nan 8.290 nan 0.000 0.534 1039 M N 0.342 119.906 119.600 -0.061 0.000 2.508 1039 M HA 0.502 4.985 4.480 0.005 0.000 0.327 1039 M C -1.722 174.600 176.300 0.038 0.000 1.160 1039 M CA -2.612 52.697 55.300 0.015 0.000 0.980 1039 M CB 2.024 34.637 32.600 0.022 0.000 1.693 1039 M HN -0.221 nan 8.290 nan 0.000 0.452 1040 P HA -0.238 nan 4.420 nan 0.000 0.236 1040 P C -0.735 176.579 177.300 0.023 0.000 0.865 1040 P CA 1.133 64.259 63.100 0.042 0.000 1.105 1040 P CB 0.115 31.841 31.700 0.043 0.000 0.694 1041 Q N -0.638 119.175 119.800 0.020 0.000 2.274 1041 Q HA 0.486 4.828 4.340 0.005 0.000 0.268 1041 Q C -1.604 174.394 176.000 -0.005 0.000 1.015 1041 Q CA -0.711 55.107 55.803 0.026 0.000 0.775 1041 Q CB 0.627 29.379 28.738 0.023 0.000 1.256 1041 Q HN 0.100 nan 8.270 nan 0.000 0.442 1042 L N 1.069 122.312 121.223 0.034 0.000 2.341 1042 L HA 0.703 5.045 4.340 0.005 0.000 0.267 1042 L C -0.418 176.473 176.870 0.035 0.000 1.009 1042 L CA -0.653 54.189 54.840 0.003 0.000 0.819 1042 L CB 0.910 42.991 42.059 0.036 0.000 1.323 1042 L HN 0.515 nan 8.230 nan 0.000 0.425 1043 T N 1.409 115.930 114.554 -0.056 0.000 2.853 1043 T HA 0.082 4.435 4.350 0.005 0.000 0.298 1043 T C 0.994 175.816 174.700 0.202 0.000 0.978 1043 T CA 0.303 62.422 62.100 0.032 0.000 1.152 1043 T CB 0.021 68.865 68.868 -0.041 0.000 0.914 1043 T HN 0.674 nan 8.240 nan 0.000 0.539 1044 S N 4.526 120.432 115.700 0.343 0.000 3.613 1044 S HA 0.111 4.584 4.470 0.005 0.000 0.220 1044 S C 1.010 175.688 174.600 0.130 0.000 1.261 1044 S CA 0.114 58.423 58.200 0.180 0.000 1.143 1044 S CB -0.283 62.979 63.200 0.103 0.000 1.315 1044 S HN 0.766 nan 8.310 nan 0.000 0.450 1045 K N 0.143 120.620 120.400 0.129 0.000 3.061 1045 K HA 0.014 4.336 4.320 0.005 0.000 0.283 1045 K C 0.867 177.531 176.600 0.106 0.000 2.801 1045 K CA -0.036 56.313 56.287 0.103 0.000 1.574 1045 K CB -0.525 32.031 32.500 0.093 0.000 3.029 1045 K HN 0.105 nan 8.250 nan 0.000 0.374 1046 E N 1.264 121.520 120.200 0.094 0.000 2.086 1046 E HA -0.249 4.104 4.350 0.005 0.000 0.200 1046 E C 0.785 177.459 176.600 0.124 0.000 1.012 1046 E CA 2.275 58.729 56.400 0.089 0.000 0.812 1046 E CB -0.144 29.591 29.700 0.058 0.000 0.743 1046 E HN 0.325 nan 8.360 nan 0.000 0.453 1047 D N 0.037 120.516 120.400 0.132 0.000 2.162 1047 D HA -0.075 4.568 4.640 0.005 0.000 0.203 1047 D C 1.830 178.314 176.300 0.307 0.000 0.967 1047 D CA 0.635 54.744 54.000 0.182 0.000 0.840 1047 D CB 0.041 40.916 40.800 0.125 0.000 0.972 1047 D HN 0.113 nan 8.370 nan 0.000 0.482 1048 I N 1.063 121.801 120.570 0.281 0.000 2.353 1048 I HA -0.114 4.059 4.170 0.005 0.000 0.248 1048 I C 1.978 178.262 176.117 0.279 0.000 1.119 1048 I CA 0.919 62.465 61.300 0.411 0.000 1.417 1048 I CB -0.969 37.187 38.000 0.261 0.000 1.078 1048 I HN 0.042 nan 8.210 nan 0.000 0.421 1049 E N 0.575 120.876 120.200 0.168 0.000 2.233 1049 E HA -0.286 4.067 4.350 0.005 0.000 0.199 1049 E C 2.052 178.660 176.600 0.013 0.000 1.004 1049 E CA 1.340 57.785 56.400 0.076 0.000 0.819 1049 E CB -0.549 29.196 29.700 0.075 0.000 0.738 1049 E HN 0.635 nan 8.360 nan 0.000 0.478 1050 Y N 0.998 121.302 120.300 0.006 0.000 2.128 1050 Y HA -0.252 4.301 4.550 0.005 0.000 0.284 1050 Y C 2.278 178.043 175.900 -0.226 0.000 1.154 1050 Y CA 1.618 59.681 58.100 -0.063 0.000 1.149 1050 Y CB -0.391 38.068 38.460 -0.002 0.000 0.976 1050 Y HN 0.030 nan 8.280 nan 0.000 0.505 1051 I N 0.782 121.006 120.570 -0.576 0.000 2.335 1051 I HA -0.250 3.922 4.170 0.005 0.000 0.251 1051 I C 2.638 178.453 176.117 -0.503 0.000 1.129 1051 I CA 1.511 62.347 61.300 -0.773 0.000 1.402 1051 I CB -0.645 36.721 38.000 -1.056 0.000 1.069 1051 I HN 0.253 nan 8.210 nan 0.000 0.424 1052 R N 0.115 120.416 120.500 -0.332 0.000 2.075 1052 R HA -0.145 4.198 4.340 0.005 0.000 0.232 1052 R C 1.844 177.998 176.300 -0.243 0.000 1.126 1052 R CA 1.788 57.758 56.100 -0.217 0.000 0.963 1052 R CB -0.258 29.973 30.300 -0.115 0.000 0.858 1052 R HN 0.390 nan 8.270 nan 0.000 0.435 1053 D N 0.215 120.443 120.400 -0.286 0.000 2.123 1053 D HA -0.078 4.565 4.640 0.005 0.000 0.200 1053 D C 1.756 177.860 176.300 -0.326 0.000 0.976 1053 D CA 1.278 55.131 54.000 -0.245 0.000 0.831 1053 D CB -0.272 40.422 40.800 -0.177 0.000 0.974 1053 D HN 0.289 nan 8.370 nan 0.000 0.469 1054 A N 1.316 123.795 122.820 -0.567 0.000 1.849 1054 A HA -0.164 4.158 4.320 0.005 0.000 0.217 1054 A C 2.267 179.676 177.584 -0.291 0.000 1.202 1054 A CA 1.140 52.834 52.037 -0.572 0.000 0.629 1054 A CB -1.059 17.357 19.000 -0.974 0.000 0.834 1054 A HN 0.242 nan 8.150 nan 0.000 0.447 1055 L N -0.027 121.025 121.223 -0.286 0.000 2.633 1055 L HA -0.044 4.299 4.340 0.005 0.000 0.235 1055 L C 1.194 177.946 176.870 -0.197 0.000 1.163 1055 L CA 0.687 55.420 54.840 -0.178 0.000 0.859 1055 L CB -0.816 41.128 42.059 -0.193 0.000 0.973 1055 L HN 0.572 nan 8.230 nan 0.000 0.451 1056 T N 0.175 114.581 114.554 -0.247 0.000 3.219 1056 T HA -0.175 4.178 4.350 0.005 0.000 0.433 1056 T C 0.142 174.738 174.700 -0.173 0.000 0.771 1056 T CA -0.260 61.686 62.100 -0.256 0.000 2.178 1056 T CB -1.038 67.581 68.868 -0.415 0.000 1.666 1056 T HN 0.043 nan 8.240 nan 0.000 0.607 1057 V N 3.840 123.669 119.914 -0.141 0.000 2.529 1057 V HA 0.513 4.636 4.120 0.005 0.000 0.292 1057 V C 1.880 177.929 176.094 -0.076 0.000 1.028 1057 V CA 1.237 63.477 62.300 -0.101 0.000 1.074 1057 V CB 0.563 32.336 31.823 -0.082 0.000 0.958 1057 V HN 1.284 nan 8.190 nan 0.000 0.481 1058 G N 4.961 113.724 108.800 -0.061 0.000 3.141 1058 G HA2 -0.180 3.782 3.960 0.005 0.000 0.205 1058 G HA3 -0.180 3.782 3.960 0.005 0.000 0.205 1058 G C 0.077 174.955 174.900 -0.037 0.000 1.924 1058 G CA -0.297 44.778 45.100 -0.041 0.000 1.573 1058 G HN 0.673 nan 8.290 nan 0.000 0.591 1059 K N 2.385 122.761 120.400 -0.041 0.000 2.585 1059 K HA 0.080 4.403 4.320 0.005 0.000 0.271 1059 K C 0.672 177.262 176.600 -0.016 0.000 0.994 1059 K CA 1.025 57.298 56.287 -0.024 0.000 1.085 1059 K CB -0.094 32.385 32.500 -0.036 0.000 0.802 1059 K HN 1.012 nan 8.250 nan 0.000 0.476 1060 N N 0.237 118.940 118.700 0.005 0.000 2.525 1060 N HA 0.009 4.752 4.740 0.005 0.000 0.271 1060 N C 0.773 176.293 175.510 0.017 0.000 1.194 1060 N CA -0.280 52.775 53.050 0.009 0.000 0.964 1060 N CB 0.760 39.258 38.487 0.018 0.000 1.126 1060 N HN 0.692 nan 8.380 nan 0.000 0.452 1061 E N 0.762 120.968 120.200 0.010 0.000 2.055 1061 E HA -0.379 3.974 4.350 0.005 0.000 0.209 1061 E C 0.904 177.532 176.600 0.048 0.000 1.036 1061 E CA 1.638 58.045 56.400 0.011 0.000 0.849 1061 E CB -0.070 29.638 29.700 0.014 0.000 0.767 1061 E HN 0.677 nan 8.360 nan 0.000 0.461 1062 E N 0.402 120.629 120.200 0.047 0.000 2.197 1062 E HA -0.282 4.070 4.350 0.005 0.000 0.205 1062 E C 1.802 178.454 176.600 0.087 0.000 1.029 1062 E CA 1.874 58.310 56.400 0.060 0.000 0.828 1062 E CB -0.386 29.342 29.700 0.046 0.000 0.737 1062 E HN 0.510 nan 8.360 nan 0.000 0.464 1063 D N -0.101 120.353 120.400 0.090 0.000 2.091 1063 D HA -0.059 4.584 4.640 0.005 0.000 0.199 1063 D C 1.984 178.403 176.300 0.198 0.000 0.980 1063 D CA 1.727 55.801 54.000 0.123 0.000 0.831 1063 D CB -0.109 40.752 40.800 0.101 0.000 0.987 1063 D HN 0.100 nan 8.370 nan 0.000 0.460 1064 A N 0.634 123.570 122.820 0.192 0.000 1.917 1064 A HA -0.258 4.065 4.320 0.005 0.000 0.219 1064 A C 2.156 179.989 177.584 0.415 0.000 1.182 1064 A CA 2.005 54.239 52.037 0.329 0.000 0.633 1064 A CB -0.895 18.222 19.000 0.194 0.000 0.819 1064 A HN 0.314 nan 8.150 nan 0.000 0.448 1065 K N -0.436 120.117 120.400 0.255 0.000 2.173 1065 K HA -0.230 4.092 4.320 0.005 0.000 0.207 1065 K C 2.093 178.826 176.600 0.223 0.000 1.046 1065 K CA 2.038 58.455 56.287 0.216 0.000 0.929 1065 K CB -0.125 32.448 32.500 0.121 0.000 0.720 1065 K HN 0.534 nan 8.250 nan 0.000 0.453 1066 K N -0.869 119.662 120.400 0.217 0.000 2.202 1066 K HA -0.103 4.219 4.320 0.005 0.000 0.201 1066 K C 1.990 178.711 176.600 0.201 0.000 1.051 1066 K CA 0.488 56.880 56.287 0.176 0.000 0.977 1066 K CB -0.186 32.397 32.500 0.138 0.000 0.792 1066 K HN 0.128 nan 8.250 nan 0.000 0.469 1067 Y N 0.755 121.149 120.300 0.156 0.000 2.102 1067 Y HA -0.349 4.205 4.550 0.006 0.000 0.280 1067 Y C 1.852 177.816 175.900 0.107 0.000 1.178 1067 Y CA 2.113 60.305 58.100 0.153 0.000 1.146 1067 Y CB -0.417 38.180 38.460 0.227 0.000 0.968 1067 Y HN 0.114 nan 8.280 nan 0.000 0.504 1068 F N 0.204 120.168 119.950 0.024 0.000 2.046 1068 F HA -0.275 4.254 4.527 0.004 0.000 0.297 1068 F C 2.135 177.819 175.800 -0.194 0.000 1.123 1068 F CA 2.043 59.889 58.000 -0.256 0.000 1.199 1068 F CB -0.908 37.851 39.000 -0.401 0.000 0.972 1068 F HN 0.056 nan 8.300 nan 0.000 0.474 1069 L N -0.011 121.221 121.223 0.015 0.000 2.021 1069 L HA -0.318 4.025 4.340 0.005 0.000 0.215 1069 L C 2.063 178.869 176.870 -0.107 0.000 1.074 1069 L CA 1.971 56.800 54.840 -0.020 0.000 0.760 1069 L CB -1.002 41.099 42.059 0.070 0.000 0.889 1069 L HN 0.146 nan 8.230 nan 0.000 0.433 1070 D N -0.793 119.528 120.400 -0.132 0.000 2.103 1070 D HA -0.229 4.414 4.640 0.005 0.000 0.190 1070 D C 2.321 178.464 176.300 -0.262 0.000 0.997 1070 D CA 1.145 55.045 54.000 -0.165 0.000 0.833 1070 D CB -0.133 40.557 40.800 -0.183 0.000 0.961 1070 D HN 0.246 nan 8.370 nan 0.000 0.447 1071 Q N -0.121 119.420 119.800 -0.431 0.000 2.248 1071 Q HA -0.125 4.218 4.340 0.005 0.000 0.208 1071 Q C 2.389 178.107 176.000 -0.470 0.000 0.984 1071 Q CA 0.758 56.251 55.803 -0.516 0.000 0.875 1071 Q CB -0.173 28.103 28.738 -0.770 0.000 0.910 1071 Q HN 0.502 nan 8.270 nan 0.000 0.433 1072 I N 0.199 120.564 120.570 -0.341 0.000 2.286 1072 I HA -0.219 3.953 4.170 0.005 0.000 0.245 1072 I C 1.884 177.949 176.117 -0.086 0.000 1.104 1072 I CA 0.835 62.049 61.300 -0.142 0.000 1.397 1072 I CB -0.038 37.991 38.000 0.048 0.000 1.072 1072 I HN 0.090 nan 8.210 nan 0.000 0.417 1073 E N 0.552 120.708 120.200 -0.073 0.000 2.106 1073 E HA -0.134 4.219 4.350 0.005 0.000 0.192 1073 E C 2.085 178.619 176.600 -0.110 0.000 0.984 1073 E CA 0.788 57.159 56.400 -0.048 0.000 0.806 1073 E CB -0.205 29.477 29.700 -0.030 0.000 0.750 1073 E HN 0.203 nan 8.360 nan 0.000 0.458 1074 V N 0.105 119.918 119.914 -0.167 0.000 2.982 1074 V HA -0.317 3.806 4.120 0.005 0.000 0.265 1074 V C 2.023 177.993 176.094 -0.207 0.000 1.122 1074 V CA 1.187 63.381 62.300 -0.177 0.000 1.143 1074 V CB -0.781 30.916 31.823 -0.210 0.000 0.726 1074 V HN 0.428 nan 8.190 nan 0.000 0.507 1075 C N 0.132 119.289 119.300 -0.239 0.000 2.541 1075 C HA -0.061 4.402 4.460 0.005 0.000 0.282 1075 C C 2.900 177.784 174.990 -0.177 0.000 1.263 1075 C CA 0.440 59.308 59.018 -0.251 0.000 1.709 1075 C CB -0.859 26.734 27.740 -0.245 0.000 2.097 1075 C HN 0.522 nan 8.230 nan 0.000 0.480 1076 R N 1.323 121.741 120.500 -0.137 0.000 2.119 1076 R HA -0.165 4.178 4.340 0.005 0.000 0.246 1076 R C 1.560 177.801 176.300 -0.099 0.000 1.146 1076 R CA 1.701 57.728 56.100 -0.121 0.000 0.962 1076 R CB -1.559 28.681 30.300 -0.101 0.000 0.863 1076 R HN 0.556 nan 8.270 nan 0.000 0.442 1077 D N 0.878 121.223 120.400 -0.091 0.000 2.271 1077 D HA -0.155 4.488 4.640 0.005 0.000 0.207 1077 D C 0.630 176.892 176.300 -0.063 0.000 0.983 1077 D CA 1.165 55.123 54.000 -0.070 0.000 0.878 1077 D CB 0.198 40.955 40.800 -0.072 0.000 0.920 1077 D HN 0.115 nan 8.370 nan 0.000 0.479 1078 K N -1.219 119.131 120.400 -0.083 0.000 2.402 1078 K HA 0.326 4.648 4.320 0.005 0.000 0.203 1078 K C 1.408 177.973 176.600 -0.058 0.000 1.077 1078 K CA 0.483 56.735 56.287 -0.058 0.000 1.051 1078 K CB 0.519 32.979 32.500 -0.068 0.000 0.907 1078 K HN 0.076 nan 8.250 nan 0.000 0.554 1079 G N 1.389 110.120 108.800 -0.116 0.000 2.812 1079 G HA2 -0.343 3.620 3.960 0.005 0.000 0.366 1079 G HA3 -0.343 3.620 3.960 0.005 0.000 0.366 1079 G C 0.675 175.379 174.900 -0.327 0.000 1.183 1079 G CA 1.483 46.470 45.100 -0.189 0.000 1.076 1079 G HN 0.484 nan 8.290 nan 0.000 0.750 1080 W N 1.214 122.530 121.300 0.027 0.000 2.684 1080 W HA 0.452 5.115 4.660 0.005 0.000 0.381 1080 W C 2.196 178.801 176.519 0.143 0.000 0.975 1080 W CA 0.294 57.702 57.345 0.105 0.000 1.789 1080 W CB -0.074 29.460 29.460 0.122 0.000 1.161 1080 W HN 0.420 nan 8.180 nan 0.000 0.564 1081 T N 1.688 116.382 114.554 0.234 0.000 2.276 1081 T HA -0.326 4.027 4.350 0.005 0.000 0.218 1081 T C 1.972 176.833 174.700 0.269 0.000 1.547 1081 T CA 3.095 65.314 62.100 0.199 0.000 1.225 1081 T CB -0.986 67.930 68.868 0.080 0.000 0.864 1081 T HN 0.037 nan 8.240 nan 0.000 0.391 1082 V N 0.844 120.842 119.914 0.139 0.000 2.324 1082 V HA -0.222 3.901 4.120 0.005 0.000 0.250 1082 V C 2.492 178.711 176.094 0.209 0.000 1.060 1082 V CA 2.219 64.558 62.300 0.064 0.000 1.042 1082 V CB -1.260 30.558 31.823 -0.008 0.000 0.650 1082 V HN 0.295 nan 8.190 nan 0.000 0.450 1083 Q N 0.394 120.396 119.800 0.337 0.000 2.181 1083 Q HA -0.188 4.155 4.340 0.005 0.000 0.205 1083 Q C 1.848 178.192 176.000 0.572 0.000 0.980 1083 Q CA 2.380 58.480 55.803 0.496 0.000 0.862 1083 Q CB -0.719 28.305 28.738 0.476 0.000 0.905 1083 Q HN 0.819 nan 8.270 nan 0.000 0.429 1084 F N -0.018 120.148 119.950 0.361 0.000 2.234 1084 F HA 0.001 4.531 4.527 0.004 0.000 0.296 1084 F C 1.829 177.834 175.800 0.343 0.000 1.089 1084 F CA 1.377 59.521 58.000 0.240 0.000 1.343 1084 F CB -0.495 38.536 39.000 0.051 0.000 1.040 1084 F HN 0.127 nan 8.300 nan 0.000 0.498 1085 N N 0.434 119.117 118.700 -0.028 0.000 2.058 1085 N HA -0.267 4.476 4.740 0.005 0.000 0.191 1085 N C 0.053 175.557 175.510 -0.009 0.000 1.037 1085 N CA 0.841 53.787 53.050 -0.173 0.000 0.848 1085 N CB -0.852 37.571 38.487 -0.107 0.000 1.021 1085 N HN 0.424 nan 8.380 nan 0.000 0.422 1086 W N 0.406 121.674 121.300 -0.053 0.000 2.846 1086 W HA -0.173 4.490 4.660 0.004 0.000 0.421 1086 W C 0.125 176.222 176.519 -0.703 0.000 1.103 1086 W CA 0.157 57.362 57.345 -0.234 0.000 1.239 1086 W CB -0.572 28.795 29.460 -0.156 0.000 1.314 1086 W HN 0.191 nan 8.180 nan 0.000 0.590 1087 F N -0.389 119.614 119.950 0.089 0.000 2.596 1087 F HA -0.023 4.507 4.527 0.005 0.000 0.397 1087 F C 1.611 177.448 175.800 0.060 0.000 0.823 1087 F CA -0.339 57.651 58.000 -0.018 0.000 0.955 1087 F CB -0.576 38.344 39.000 -0.133 0.000 1.061 1087 F HN -0.117 nan 8.300 nan 0.000 0.604 1088 L N 0.646 122.002 121.223 0.222 0.000 1.863 1088 L HA 0.050 4.393 4.340 0.005 0.000 0.225 1088 L C 0.611 177.682 176.870 0.334 0.000 1.098 1088 L CA 1.552 56.510 54.840 0.198 0.000 0.814 1088 L CB -0.671 41.465 42.059 0.128 0.000 0.888 1088 L HN 0.303 nan 8.230 nan 0.000 0.431 1089 H N -1.537 117.559 119.070 0.044 0.000 2.921 1089 H HA 0.450 5.008 4.556 0.005 0.000 0.287 1089 H C -1.770 173.589 175.328 0.051 0.000 1.434 1089 H CA -1.453 54.697 56.048 0.170 0.000 1.178 1089 H CB 1.153 30.982 29.762 0.111 0.000 1.836 1089 H HN 0.173 nan 8.280 nan 0.000 0.495 1090 L N 1.371 122.616 121.223 0.036 0.000 2.381 1090 L HA 0.832 5.175 4.340 0.005 0.000 0.268 1090 L C -0.547 176.285 176.870 -0.063 0.000 0.997 1090 L CA -0.287 54.521 54.840 -0.054 0.000 0.818 1090 L CB 1.714 44.000 42.059 0.379 0.000 1.310 1090 L HN 0.811 nan 8.230 nan 0.000 0.416 1091 V N 1.053 120.903 119.914 -0.106 0.000 4.087 1091 V HA 0.660 4.783 4.120 0.005 0.000 0.307 1091 V C 0.276 176.371 176.094 0.003 0.000 1.472 1091 V CA -0.596 61.691 62.300 -0.022 0.000 0.924 1091 V CB 0.487 32.301 31.823 -0.016 0.000 1.193 1091 V HN 1.437 nan 8.190 nan 0.000 0.472 1092 L N 0.000 121.231 121.223 0.013 0.000 2.949 1092 L HA 0.000 4.343 4.340 0.005 0.000 0.249 1092 L CA 0.000 54.854 54.840 0.023 0.000 0.813 1092 L CB 0.000 42.071 42.059 0.021 0.000 0.961 1092 L HN 0.000 nan 8.230 nan 0.000 0.502