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 2v4l_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKMA KXXXXXXXXX XXXXQDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEEW XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXCDRKFRV KIRGIDIPVL PRNTDLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCGXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXRLLYY 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 STVGNTGAFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHXXXXXX XXXXXXXERV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHLVLG 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 0.000 174.589 174.600 -0.018 0.000 1.055 144 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 144 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 145 E N 0.607 120.799 120.200 -0.013 0.000 2.445 145 E HA 0.113 4.473 4.350 0.017 0.000 0.189 145 E C 0.900 177.500 176.600 0.000 0.000 1.069 145 E CA 0.776 57.171 56.400 -0.008 0.000 0.871 145 E CB 0.086 29.781 29.700 -0.008 0.000 0.991 145 E HN 0.749 nan 8.360 nan 0.000 0.481 146 E N -1.733 118.469 120.200 0.003 0.000 2.421 146 E HA -0.009 4.352 4.350 0.017 0.000 0.209 146 E C 1.741 178.373 176.600 0.055 0.000 0.871 146 E CA 0.603 57.013 56.400 0.017 0.000 1.064 146 E CB -0.400 29.296 29.700 -0.006 0.000 1.075 146 E HN 0.021 nan 8.360 nan 0.000 0.513 147 S N 0.409 116.131 115.700 0.036 0.000 2.428 147 S HA -0.153 4.328 4.470 0.017 0.000 0.230 147 S C 1.880 176.500 174.600 0.032 0.000 1.014 147 S CA 0.978 59.215 58.200 0.061 0.000 0.957 147 S CB -0.259 62.932 63.200 -0.014 0.000 0.784 147 S HN 0.323 nan 8.310 nan 0.000 0.499 148 Q N 0.265 120.068 119.800 0.004 0.000 2.245 148 Q HA 0.212 4.562 4.340 0.017 0.000 0.201 148 Q C 2.504 178.507 176.000 0.004 0.000 0.955 148 Q CA 1.091 56.884 55.803 -0.016 0.000 0.870 148 Q CB -0.301 28.424 28.738 -0.022 0.000 0.945 148 Q HN 0.765 nan 8.270 nan 0.000 0.461 149 A N 0.595 123.440 122.820 0.041 0.000 1.874 149 A HA -0.139 4.192 4.320 0.017 0.000 0.214 149 A C 1.784 179.437 177.584 0.114 0.000 1.189 149 A CA 0.685 52.757 52.037 0.058 0.000 0.615 149 A CB -0.630 18.404 19.000 0.057 0.000 0.830 149 A HN 0.429 nan 8.150 nan 0.000 0.443 150 F N 0.976 120.909 119.950 -0.029 0.000 2.202 150 F HA -0.175 4.363 4.527 0.018 0.000 0.301 150 F C 2.127 177.915 175.800 -0.019 0.000 1.082 150 F CA 2.072 60.059 58.000 -0.023 0.000 1.313 150 F CB -0.469 38.512 39.000 -0.032 0.000 1.024 150 F HN 0.338 nan 8.300 nan 0.000 0.495 151 Q N 0.381 120.084 119.800 -0.162 0.000 2.245 151 Q HA -0.037 4.314 4.340 0.017 0.000 0.201 151 Q C 2.256 178.171 176.000 -0.141 0.000 0.955 151 Q CA 1.309 56.963 55.803 -0.249 0.000 0.870 151 Q CB -0.192 28.442 28.738 -0.173 0.000 0.945 151 Q HN 0.394 nan 8.270 nan 0.000 0.461 152 R N -0.630 119.831 120.500 -0.066 0.000 2.090 152 R HA -0.057 4.293 4.340 0.017 0.000 0.228 152 R C 2.279 178.568 176.300 -0.020 0.000 1.110 152 R CA 1.208 57.286 56.100 -0.036 0.000 0.973 152 R CB -0.099 30.194 30.300 -0.011 0.000 0.869 152 R HN 0.390 nan 8.270 nan 0.000 0.440 153 Q N 0.800 120.603 119.800 0.004 0.000 2.030 153 Q HA -0.184 4.167 4.340 0.017 0.000 0.204 153 Q C 2.145 178.140 176.000 -0.008 0.000 0.986 153 Q CA 1.539 57.365 55.803 0.039 0.000 0.843 153 Q CB -0.073 28.747 28.738 0.136 0.000 0.904 153 Q HN 0.329 nan 8.270 nan 0.000 0.420 154 L N -0.259 120.898 121.223 -0.111 0.000 2.042 154 L HA -0.223 4.128 4.340 0.017 0.000 0.210 154 L C 2.490 179.325 176.870 -0.058 0.000 1.076 154 L CA 1.499 56.264 54.840 -0.124 0.000 0.749 154 L CB -0.533 41.363 42.059 -0.272 0.000 0.893 154 L HN 0.271 nan 8.230 nan 0.000 0.432 155 T N -0.420 114.097 114.554 -0.062 0.000 2.788 155 T HA -0.146 4.215 4.350 0.017 0.000 0.268 155 T C 1.966 176.656 174.700 -0.017 0.000 1.044 155 T CA 1.234 63.309 62.100 -0.042 0.000 1.139 155 T CB -0.180 68.653 68.868 -0.059 0.000 0.867 155 T HN 0.458 nan 8.240 nan 0.000 0.454 156 A N 1.134 123.951 122.820 -0.004 0.000 1.898 156 A HA 0.077 4.407 4.320 0.017 0.000 0.216 156 A C 2.276 179.882 177.584 0.037 0.000 1.181 156 A CA 1.023 53.072 52.037 0.019 0.000 0.620 156 A CB -0.750 18.268 19.000 0.030 0.000 0.819 156 A HN 0.460 nan 8.150 nan 0.000 0.442 157 L N -0.757 120.496 121.223 0.050 0.000 2.046 157 L HA -0.159 4.191 4.340 0.017 0.000 0.208 157 L C 2.411 179.291 176.870 0.017 0.000 1.077 157 L CA 1.250 56.147 54.840 0.095 0.000 0.747 157 L CB -0.445 41.697 42.059 0.138 0.000 0.896 157 L HN 0.366 nan 8.230 nan 0.000 0.432 158 I N -0.677 119.879 120.570 -0.024 0.000 2.406 158 I HA -0.071 4.109 4.170 0.017 0.000 0.249 158 I C 1.648 177.731 176.117 -0.057 0.000 1.122 158 I CA 0.966 62.213 61.300 -0.088 0.000 1.431 158 I CB -0.407 37.582 38.000 -0.019 0.000 1.087 158 I HN 0.437 nan 8.210 nan 0.000 0.424 159 G N 0.236 109.038 108.800 0.003 0.000 2.147 159 G HA2 -0.324 3.646 3.960 0.017 0.000 0.244 159 G HA3 -0.324 3.646 3.960 0.017 0.000 0.244 159 G C -0.091 174.880 174.900 0.119 0.000 1.005 159 G CA 0.204 45.328 45.100 0.039 0.000 0.713 159 G HN 0.394 nan 8.290 nan 0.000 0.515 160 Y N -0.453 119.826 120.300 -0.035 0.000 2.558 160 Y HA 0.496 5.057 4.550 0.018 0.000 0.333 160 Y C -1.584 174.299 175.900 -0.029 0.000 1.125 160 Y CA -1.093 56.993 58.100 -0.024 0.000 1.039 160 Y CB 1.911 40.361 38.460 -0.018 0.000 1.331 160 Y HN 0.068 nan 8.280 nan 0.000 0.456 161 D N 3.712 123.762 120.400 -0.583 0.000 2.428 161 D HA 0.212 4.863 4.640 0.017 0.000 0.221 161 D C 0.798 177.024 176.300 -0.122 0.000 1.123 161 D CA -0.134 53.692 54.000 -0.290 0.000 0.869 161 D CB 1.286 41.898 40.800 -0.313 0.000 1.032 161 D HN 0.484 nan 8.370 nan 0.000 0.506 162 V N 1.993 121.950 119.914 0.073 0.000 3.444 162 V HA -0.024 4.106 4.120 0.017 0.000 0.271 162 V C 1.352 177.486 176.094 0.067 0.000 1.188 162 V CA 1.612 63.991 62.300 0.131 0.000 1.168 162 V CB -1.186 30.699 31.823 0.103 0.000 0.810 162 V HN 0.617 nan 8.190 nan 0.000 0.500 163 T N -3.228 111.333 114.554 0.011 0.000 3.040 163 T HA 0.154 4.515 4.350 0.017 0.000 0.250 163 T C 0.490 175.187 174.700 -0.005 0.000 1.058 163 T CA 0.351 62.455 62.100 0.006 0.000 0.988 163 T CB -0.236 68.619 68.868 -0.023 0.000 0.993 163 T HN 0.557 nan 8.240 nan 0.000 0.519 164 D N 0.596 120.977 120.400 -0.032 0.000 2.350 164 D HA 0.305 4.955 4.640 0.017 0.000 0.249 164 D C 0.188 176.494 176.300 0.010 0.000 1.119 164 D CA -0.188 53.785 54.000 -0.045 0.000 0.886 164 D CB 1.101 41.821 40.800 -0.133 0.000 1.195 164 D HN -0.032 nan 8.370 nan 0.000 0.437 165 V N 3.056 122.978 119.914 0.012 0.000 3.017 165 V HA 0.010 4.140 4.120 0.017 0.000 0.354 165 V C 1.329 177.440 176.094 0.028 0.000 1.389 165 V CA 0.358 62.677 62.300 0.032 0.000 1.163 165 V CB 0.190 32.035 31.823 0.037 0.000 1.178 165 V HN 0.714 nan 8.190 nan 0.000 0.547 166 S N -0.458 115.251 115.700 0.016 0.000 2.489 166 S HA 0.025 4.506 4.470 0.017 0.000 0.228 166 S C 1.084 175.693 174.600 0.016 0.000 0.995 166 S CA 0.984 59.188 58.200 0.008 0.000 0.934 166 S CB -0.140 63.052 63.200 -0.013 0.000 0.771 166 S HN 0.514 nan 8.310 nan 0.000 0.522 167 N N 0.614 119.333 118.700 0.032 0.000 2.696 167 N HA 0.455 5.206 4.740 0.017 0.000 0.308 167 N C -1.405 174.121 175.510 0.027 0.000 1.915 167 N CA -0.224 52.845 53.050 0.032 0.000 0.906 167 N CB 0.989 39.497 38.487 0.035 0.000 1.284 167 N HN 0.152 nan 8.380 nan 0.000 0.488 168 V N 0.846 120.777 119.914 0.029 0.000 3.130 168 V HA 0.441 4.571 4.120 0.017 0.000 0.310 168 V C 0.108 176.232 176.094 0.050 0.000 1.158 168 V CA -0.649 61.637 62.300 -0.023 0.000 1.029 168 V CB 2.276 34.103 31.823 0.008 0.000 1.057 168 V HN 0.633 nan 8.190 nan 0.000 0.436 169 H N -0.051 119.102 119.070 0.138 0.000 3.540 169 H HA 0.370 4.937 4.556 0.017 0.000 0.259 169 H C -0.744 174.696 175.328 0.186 0.000 1.197 169 H CA -0.026 56.122 56.048 0.166 0.000 1.136 169 H CB 1.164 31.072 29.762 0.244 0.000 1.605 169 H HN 0.698 nan 8.280 nan 0.000 0.657 170 D N 0.950 121.481 120.400 0.218 0.000 2.759 170 D HA 0.009 4.660 4.640 0.017 0.000 0.321 170 D C -0.307 176.091 176.300 0.163 0.000 1.267 170 D CA -0.446 53.702 54.000 0.248 0.000 0.933 170 D CB 0.699 41.714 40.800 0.358 0.000 1.431 170 D HN 0.072 nan 8.370 nan 0.000 0.504 171 D N -1.229 119.295 120.400 0.206 0.000 2.587 171 D HA 0.051 4.702 4.640 0.017 0.000 0.233 171 D C 0.787 177.111 176.300 0.040 0.000 1.213 171 D CA -0.255 53.836 54.000 0.151 0.000 0.827 171 D CB 0.288 41.208 40.800 0.200 0.000 1.006 171 D HN 0.552 nan 8.370 nan 0.000 0.490 172 E N 0.571 120.691 120.200 -0.132 0.000 2.058 172 E HA -0.158 4.203 4.350 0.017 0.000 0.194 172 E C 1.879 178.458 176.600 -0.035 0.000 0.997 172 E CA 0.842 56.986 56.400 -0.427 0.000 0.801 172 E CB 0.070 29.645 29.700 -0.209 0.000 0.746 172 E HN 0.345 nan 8.360 nan 0.000 0.450 173 L N 0.902 122.128 121.223 0.006 0.000 1.990 173 L HA -0.241 4.109 4.340 0.017 0.000 0.213 173 L C 2.688 179.575 176.870 0.028 0.000 1.072 173 L CA 1.271 56.076 54.840 -0.057 0.000 0.755 173 L CB -0.612 41.387 42.059 -0.100 0.000 0.889 173 L HN 0.114 nan 8.230 nan 0.000 0.432 174 E N -0.148 120.102 120.200 0.083 0.000 2.058 174 E HA -0.250 4.110 4.350 0.017 0.000 0.194 174 E C 2.041 178.730 176.600 0.147 0.000 0.997 174 E CA 1.403 57.886 56.400 0.139 0.000 0.801 174 E CB -0.444 29.360 29.700 0.172 0.000 0.746 174 E HN 0.353 nan 8.360 nan 0.000 0.450 175 F N 1.739 121.689 119.950 0.000 0.000 2.126 175 F HA -0.213 4.325 4.527 0.017 0.000 0.299 175 F C 2.352 178.125 175.800 -0.046 0.000 1.096 175 F CA 1.767 59.767 58.000 -0.000 0.000 1.255 175 F CB -0.380 38.632 39.000 0.020 0.000 0.997 175 F HN -0.030 nan 8.300 nan 0.000 0.479 176 T N 0.204 114.789 114.554 0.050 0.000 2.915 176 T HA -0.139 4.221 4.350 0.017 0.000 0.269 176 T C 1.998 176.621 174.700 -0.128 0.000 1.071 176 T CA 1.227 63.305 62.100 -0.037 0.000 1.132 176 T CB -0.211 68.680 68.868 0.038 0.000 0.878 176 T HN 0.271 nan 8.240 nan 0.000 0.479 177 R N 0.750 121.183 120.500 -0.110 0.000 2.066 177 R HA 0.094 4.444 4.340 0.017 0.000 0.232 177 R C 2.738 178.695 176.300 -0.572 0.000 1.131 177 R CA 1.033 57.036 56.100 -0.162 0.000 0.955 177 R CB -0.173 30.183 30.300 0.092 0.000 0.851 177 R HN 0.251 nan 8.270 nan 0.000 0.432 178 R N -0.076 120.048 120.500 -0.626 0.000 2.081 178 R HA -0.090 4.260 4.340 0.017 0.000 0.235 178 R C 2.366 178.274 176.300 -0.654 0.000 1.131 178 R CA 1.483 57.076 56.100 -0.845 0.000 0.960 178 R CB -0.480 29.519 30.300 -0.502 0.000 0.856 178 R HN 0.355 nan 8.270 nan 0.000 0.436 179 G N 0.291 108.778 108.800 -0.523 0.000 2.422 179 G HA2 -0.192 3.778 3.960 0.017 0.000 0.218 179 G HA3 -0.192 3.778 3.960 0.017 0.000 0.218 179 G C 1.249 175.982 174.900 -0.278 0.000 1.140 179 G CA 0.372 45.236 45.100 -0.393 0.000 0.775 179 G HN 0.185 nan 8.290 nan 0.000 0.545 180 L N 0.721 121.783 121.223 -0.268 0.000 2.554 180 L HA 0.077 4.427 4.340 0.017 0.000 0.226 180 L C 2.588 179.341 176.870 -0.194 0.000 1.137 180 L CA -0.329 54.408 54.840 -0.171 0.000 0.863 180 L CB 0.098 42.093 42.059 -0.105 0.000 0.985 180 L HN 0.034 nan 8.230 nan 0.000 0.451 181 V N -0.419 119.293 119.914 -0.338 0.000 2.343 181 V HA -0.284 3.847 4.120 0.017 0.000 0.247 181 V C 2.507 178.501 176.094 -0.166 0.000 1.051 181 V CA 2.342 64.452 62.300 -0.317 0.000 1.036 181 V CB -0.659 30.832 31.823 -0.553 0.000 0.654 181 V HN 0.462 nan 8.190 nan 0.000 0.451 182 T N 0.753 115.211 114.554 -0.160 0.000 2.668 182 T HA -0.069 4.291 4.350 0.017 0.000 0.262 182 T C 0.085 174.749 174.700 -0.059 0.000 1.045 182 T CA 1.967 64.010 62.100 -0.095 0.000 1.152 182 T CB -1.173 67.639 68.868 -0.092 0.000 0.864 182 T HN 0.497 nan 8.240 nan 0.000 0.419 183 P HA -0.064 nan 4.420 nan 0.000 0.219 183 P C 1.455 178.744 177.300 -0.018 0.000 1.150 183 P CA 1.127 64.214 63.100 -0.023 0.000 0.814 183 P CB -0.020 31.674 31.700 -0.010 0.000 0.787 184 R N 0.069 120.554 120.500 -0.026 0.000 2.080 184 R HA -0.073 4.277 4.340 0.017 0.000 0.236 184 R C 2.412 178.700 176.300 -0.020 0.000 1.137 184 R CA 2.015 58.107 56.100 -0.013 0.000 0.943 184 R CB -0.711 29.584 30.300 -0.008 0.000 0.846 184 R HN 0.076 nan 8.270 nan 0.000 0.431 185 M N -0.093 119.493 119.600 -0.024 0.000 2.254 185 M HA -0.009 4.482 4.480 0.017 0.000 0.265 185 M C 2.449 178.734 176.300 -0.024 0.000 1.066 185 M CA 1.349 56.638 55.300 -0.019 0.000 1.123 185 M CB -0.149 32.444 32.600 -0.012 0.000 1.388 185 M HN 0.383 nan 8.290 nan 0.000 0.425 186 A N 0.178 122.984 122.820 -0.022 0.000 1.940 186 A HA -0.210 4.120 4.320 0.017 0.000 0.219 186 A C 1.965 179.536 177.584 -0.022 0.000 1.176 186 A CA 2.126 54.152 52.037 -0.018 0.000 0.631 186 A CB -0.528 18.466 19.000 -0.011 0.000 0.814 186 A HN 0.426 nan 8.150 nan 0.000 0.446 187 E N -0.531 119.654 120.200 -0.025 0.000 2.170 187 E HA -0.017 4.343 4.350 0.017 0.000 0.191 187 E C 1.812 178.369 176.600 -0.073 0.000 0.981 187 E CA 0.953 57.332 56.400 -0.035 0.000 0.830 187 E CB -0.252 29.436 29.700 -0.021 0.000 0.775 187 E HN 0.217 nan 8.360 nan 0.000 0.470 188 V N 0.878 120.745 119.914 -0.078 0.000 2.287 188 V HA -0.295 3.836 4.120 0.017 0.000 0.248 188 V C 2.326 178.358 176.094 -0.103 0.000 1.053 188 V CA 2.075 64.306 62.300 -0.115 0.000 1.027 188 V CB -0.887 30.887 31.823 -0.082 0.000 0.646 188 V HN 0.444 nan 8.190 nan 0.000 0.447 189 A N 0.102 122.883 122.820 -0.064 0.000 2.014 189 A HA -0.109 4.222 4.320 0.017 0.000 0.218 189 A C 2.357 179.914 177.584 -0.046 0.000 1.163 189 A CA 1.746 53.753 52.037 -0.050 0.000 0.652 189 A CB -0.418 18.563 19.000 -0.031 0.000 0.808 189 A HN 0.680 nan 8.150 nan 0.000 0.449 190 S N -0.233 115.441 115.700 -0.043 0.000 2.535 190 S HA 0.083 4.563 4.470 0.017 0.000 0.214 190 S C 0.886 175.465 174.600 -0.034 0.000 0.980 190 S CA -0.181 58.002 58.200 -0.029 0.000 0.907 190 S CB -0.347 62.843 63.200 -0.016 0.000 0.790 190 S HN 0.694 nan 8.310 nan 0.000 0.510 191 R N 1.317 121.778 120.500 -0.066 0.000 2.490 191 R HA 0.329 4.679 4.340 0.017 0.000 0.280 191 R C -1.057 175.215 176.300 -0.047 0.000 1.077 191 R CA -0.363 55.695 56.100 -0.070 0.000 1.065 191 R CB 0.043 30.238 30.300 -0.175 0.000 1.003 191 R HN 0.036 nan 8.270 nan 0.000 0.470 192 D N 3.929 124.332 120.400 0.005 0.000 2.346 192 D HA 0.125 4.776 4.640 0.017 0.000 0.260 192 D C -1.620 174.711 176.300 0.052 0.000 1.252 192 D CA -2.076 51.939 54.000 0.025 0.000 0.895 192 D CB 1.451 42.275 40.800 0.040 0.000 1.097 192 D HN 0.358 nan 8.370 nan 0.000 0.489 193 P HA -0.211 nan 4.420 nan 0.000 0.216 193 P C 1.096 178.444 177.300 0.079 0.000 1.157 193 P CA 1.383 64.517 63.100 0.056 0.000 0.880 193 P CB 0.220 31.929 31.700 0.016 0.000 0.791 194 K N -0.631 119.791 120.400 0.036 0.000 2.002 194 K HA -0.099 4.231 4.320 0.017 0.000 0.209 194 K C 2.034 178.641 176.600 0.011 0.000 1.048 194 K CA 1.290 57.579 56.287 0.004 0.000 0.930 194 K CB -0.645 31.848 32.500 -0.012 0.000 0.714 194 K HN 0.069 nan 8.250 nan 0.000 0.438 195 L N -0.363 120.891 121.223 0.052 0.000 2.240 195 L HA -0.131 4.219 4.340 0.017 0.000 0.211 195 L C 2.204 179.144 176.870 0.116 0.000 1.106 195 L CA 0.542 55.420 54.840 0.063 0.000 0.793 195 L CB -0.272 41.831 42.059 0.073 0.000 0.927 195 L HN 0.258 nan 8.230 nan 0.000 0.446 196 Y N 0.805 121.119 120.300 0.024 0.000 2.163 196 Y HA -0.219 4.342 4.550 0.017 0.000 0.288 196 Y C 2.499 178.437 175.900 0.063 0.000 1.136 196 Y CA 1.218 59.345 58.100 0.045 0.000 1.147 196 Y CB -0.245 38.227 38.460 0.020 0.000 0.987 196 Y HN 0.090 nan 8.280 nan 0.000 0.509 197 A N 0.083 122.916 122.820 0.021 0.000 1.940 197 A HA -0.196 4.134 4.320 0.017 0.000 0.219 197 A C 2.225 179.774 177.584 -0.058 0.000 1.176 197 A CA 2.178 54.177 52.037 -0.063 0.000 0.631 197 A CB -0.635 18.343 19.000 -0.037 0.000 0.814 197 A HN 0.580 nan 8.150 nan 0.000 0.446 198 M N -1.258 118.264 119.600 -0.130 0.000 2.534 198 M HA 0.052 4.542 4.480 0.017 0.000 0.263 198 M C 0.336 176.452 176.300 -0.306 0.000 1.152 198 M CA 0.653 55.746 55.300 -0.345 0.000 1.145 198 M CB -0.131 32.172 32.600 -0.496 0.000 1.333 198 M HN 0.793 nan 8.290 nan 0.000 0.477 199 H N -0.326 118.718 119.070 -0.043 0.000 2.506 199 H HA -0.069 4.497 4.556 0.017 0.000 0.323 199 H C -2.557 172.844 175.328 0.121 0.000 1.076 199 H CA -0.358 55.691 56.048 0.002 0.000 1.108 199 H CB -2.422 27.284 29.762 -0.093 0.000 1.569 199 H HN 0.179 nan 8.280 nan 0.000 0.399 200 P HA -0.105 nan 4.420 nan 0.000 0.263 200 P C 0.258 177.722 177.300 0.273 0.000 1.175 200 P CA 0.345 63.570 63.100 0.209 0.000 0.761 200 P CB 0.402 32.222 31.700 0.201 0.000 0.794 201 W N 5.573 126.947 121.300 0.123 0.000 2.291 201 W HA 0.477 5.147 4.660 0.017 0.000 0.312 201 W C -1.568 174.955 176.519 0.007 0.000 1.061 201 W CA -0.719 56.681 57.345 0.093 0.000 1.296 201 W CB 0.509 30.058 29.460 0.149 0.000 1.223 201 W HN 0.086 nan 8.180 nan 0.000 0.421 202 V N 4.564 124.585 119.914 0.180 0.000 3.160 202 V HA 0.755 4.885 4.120 0.017 0.000 0.310 202 V C -0.448 175.617 176.094 -0.049 0.000 1.181 202 V CA -0.672 61.540 62.300 -0.147 0.000 1.047 202 V CB 2.501 34.135 31.823 -0.315 0.000 1.068 202 V HN 0.430 nan 8.190 nan 0.000 0.441 203 T N -0.286 114.203 114.554 -0.107 0.000 2.853 203 T HA 0.388 4.749 4.350 0.017 0.000 0.311 203 T C 0.165 174.838 174.700 -0.045 0.000 1.307 203 T CA 0.216 62.295 62.100 -0.036 0.000 1.019 203 T CB 1.974 70.826 68.868 -0.025 0.000 1.264 203 T HN 0.513 nan 8.240 nan 0.000 0.497 204 S N 0.991 116.686 115.700 -0.009 0.000 2.511 204 S HA 0.251 4.732 4.470 0.017 0.000 0.214 204 S C 0.655 175.257 174.600 0.004 0.000 0.997 204 S CA -0.248 57.950 58.200 -0.004 0.000 0.908 204 S CB -0.041 63.165 63.200 0.009 0.000 0.803 204 S HN 0.610 nan 8.310 nan 0.000 0.504 205 K N 2.864 123.268 120.400 0.006 0.000 2.440 205 K HA 0.091 4.422 4.320 0.017 0.000 0.270 205 K C -2.499 174.100 176.600 -0.001 0.000 0.980 205 K CA -0.929 55.362 56.287 0.007 0.000 0.953 205 K CB -0.100 32.404 32.500 0.006 0.000 0.925 205 K HN 0.124 nan 8.250 nan 0.000 0.497 206 P HA 0.038 nan 4.420 nan 0.000 0.274 206 P C -0.348 176.945 177.300 -0.011 0.000 1.231 206 P CA -0.216 62.910 63.100 0.043 0.000 0.790 206 P CB 0.562 32.309 31.700 0.079 0.000 0.951 207 L N 4.333 125.528 121.223 -0.046 0.000 2.534 207 L HA 0.078 4.429 4.340 0.017 0.000 0.271 207 L C -1.483 175.287 176.870 -0.166 0.000 1.178 207 L CA -1.351 53.335 54.840 -0.257 0.000 0.907 207 L CB -0.035 41.606 42.059 -0.696 0.000 1.164 207 L HN 0.284 nan 8.230 nan 0.000 0.482 208 P HA -0.012 nan 4.420 nan 0.000 0.270 208 P C 0.182 177.310 177.300 -0.286 0.000 1.223 208 P CA -0.143 62.734 63.100 -0.371 0.000 0.785 208 P CB 0.676 31.872 31.700 -0.840 0.000 0.923 209 E N 0.791 120.932 120.200 -0.097 0.000 2.130 209 E HA -0.241 4.120 4.350 0.017 0.000 0.196 209 E C 1.801 178.433 176.600 0.053 0.000 0.998 209 E CA 1.623 58.066 56.400 0.071 0.000 0.806 209 E CB -0.664 29.082 29.700 0.076 0.000 0.738 209 E HN 0.644 nan 8.360 nan 0.000 0.459 210 Y N -0.406 119.932 120.300 0.063 0.000 2.352 210 Y HA -0.040 4.521 4.550 0.017 0.000 0.292 210 Y C 1.764 177.658 175.900 -0.009 0.000 1.136 210 Y CA 0.652 58.759 58.100 0.011 0.000 1.227 210 Y CB -0.501 37.931 38.460 -0.047 0.000 0.991 210 Y HN -0.055 nan 8.280 nan 0.000 0.545 211 L N -1.854 119.237 121.223 -0.220 0.000 2.307 211 L HA -0.016 4.334 4.340 0.017 0.000 0.211 211 L C 2.062 178.848 176.870 -0.140 0.000 1.099 211 L CA 0.577 55.321 54.840 -0.161 0.000 0.816 211 L CB -0.441 41.425 42.059 -0.321 0.000 0.952 211 L HN 0.294 nan 8.230 nan 0.000 0.455 212 W N 0.945 122.184 121.300 -0.102 0.000 2.355 212 W HA -0.224 4.447 4.660 0.017 0.000 0.309 212 W C 2.662 179.168 176.519 -0.022 0.000 1.206 212 W CA 0.983 58.294 57.345 -0.057 0.000 1.284 212 W CB -0.016 29.408 29.460 -0.060 0.000 1.145 212 W HN -0.036 nan 8.180 nan 0.000 0.502 213 K N 1.478 122.023 120.400 0.241 0.000 2.442 213 K HA -0.201 4.130 4.320 0.017 0.000 0.200 213 K C 1.099 177.766 176.600 0.112 0.000 1.045 213 K CA 1.318 57.698 56.287 0.154 0.000 0.937 213 K CB -0.355 32.219 32.500 0.124 0.000 0.757 213 K HN 0.159 nan 8.250 nan 0.000 0.474 214 K N 0.592 121.045 120.400 0.088 0.000 2.437 214 K HA 0.152 4.482 4.320 0.017 0.000 0.198 214 K C -0.279 176.357 176.600 0.060 0.000 1.024 214 K CA 0.021 56.339 56.287 0.052 0.000 1.148 214 K CB 0.228 32.735 32.500 0.011 0.000 0.860 214 K HN 0.122 nan 8.250 nan 0.000 0.515 215 I N 0.422 121.059 120.570 0.113 0.000 2.796 215 I HA 0.145 4.326 4.170 0.017 0.000 0.279 215 I C 0.320 176.542 176.117 0.175 0.000 1.289 215 I CA -0.221 61.164 61.300 0.141 0.000 1.021 215 I CB 1.635 39.721 38.000 0.144 0.000 1.414 215 I HN -0.129 nan 8.210 nan 0.000 0.562 216 A N 3.488 126.385 122.820 0.128 0.000 2.265 216 A HA 0.081 4.412 4.320 0.017 0.000 0.213 216 A C 1.196 178.837 177.584 0.094 0.000 1.255 216 A CA 0.546 52.646 52.037 0.105 0.000 0.862 216 A CB -0.576 18.472 19.000 0.079 0.000 0.852 216 A HN 0.751 nan 8.150 nan 0.000 0.484 217 N N -1.607 117.160 118.700 0.111 0.000 2.036 217 N HA -0.055 4.695 4.740 0.017 0.000 0.228 217 N C 0.074 175.633 175.510 0.081 0.000 1.368 217 N CA 0.234 53.338 53.050 0.090 0.000 0.846 217 N CB -0.791 37.760 38.487 0.107 0.000 1.145 217 N HN 0.330 nan 8.380 nan 0.000 0.502 218 N N 0.491 119.262 118.700 0.119 0.000 2.716 218 N HA -0.217 4.533 4.740 0.017 0.000 0.250 218 N C -0.996 174.553 175.510 0.065 0.000 1.033 218 N CA 0.947 54.075 53.050 0.129 0.000 0.727 218 N CB -1.361 37.181 38.487 0.092 0.000 0.950 218 N HN 0.642 nan 8.380 nan 0.000 0.541 219 C N 0.301 119.624 119.300 0.039 0.000 2.994 219 C HA 0.831 5.301 4.460 0.017 0.000 0.305 219 C C -0.577 174.370 174.990 -0.072 0.000 1.251 219 C CA -0.844 58.135 59.018 -0.064 0.000 1.478 219 C CB 1.855 29.503 27.740 -0.153 0.000 1.922 219 C HN 0.284 nan 8.230 nan 0.000 0.472 220 I N 3.580 124.057 120.570 -0.155 0.000 2.512 220 I HA 0.411 4.592 4.170 0.017 0.000 0.287 220 I C -1.071 174.955 176.117 -0.152 0.000 1.069 220 I CA -0.251 61.006 61.300 -0.072 0.000 1.056 220 I CB 1.432 39.404 38.000 -0.047 0.000 1.229 220 I HN 0.615 nan 8.210 nan 0.000 0.429 221 F N 7.351 127.287 119.950 -0.023 0.000 2.421 221 F HA 0.443 4.980 4.527 0.017 0.000 0.358 221 F C 0.238 176.006 175.800 -0.053 0.000 1.115 221 F CA -0.020 57.961 58.000 -0.031 0.000 1.160 221 F CB 0.483 39.468 39.000 -0.026 0.000 1.123 221 F HN 0.127 nan 8.300 nan 0.000 0.508 222 I N 3.717 124.318 120.570 0.053 0.000 2.646 222 I HA 0.500 4.681 4.170 0.017 0.000 0.299 222 I C -1.038 175.053 176.117 -0.043 0.000 1.036 222 I CA -1.151 60.141 61.300 -0.013 0.000 1.074 222 I CB 2.208 40.181 38.000 -0.046 0.000 1.258 222 I HN 0.056 nan 8.210 nan 0.000 0.430 223 V N 6.191 126.040 119.914 -0.108 0.000 2.349 223 V HA 0.447 4.577 4.120 0.017 0.000 0.284 223 V C -0.001 176.068 176.094 -0.042 0.000 1.014 223 V CA -0.463 61.757 62.300 -0.134 0.000 0.826 223 V CB 1.177 32.811 31.823 -0.315 0.000 1.009 223 V HN 0.460 nan 8.190 nan 0.000 0.431 224 I N 4.221 124.714 120.570 -0.128 0.000 2.499 224 I HA 0.532 4.712 4.170 0.017 0.000 0.296 224 I C -0.187 175.846 176.117 -0.139 0.000 0.992 224 I CA -0.395 60.827 61.300 -0.131 0.000 1.297 224 I CB 1.191 38.888 38.000 -0.506 0.000 1.410 224 I HN 0.606 nan 8.210 nan 0.000 0.507 225 H N 4.280 123.285 119.070 -0.109 0.000 2.747 225 H HA 0.693 5.259 4.556 0.017 0.000 0.371 225 H C -0.587 174.712 175.328 -0.047 0.000 1.161 225 H CA -0.713 55.310 56.048 -0.041 0.000 1.167 225 H CB 1.607 31.364 29.762 -0.007 0.000 1.732 225 H HN 0.350 nan 8.280 nan 0.000 0.544 226 R N -0.298 120.252 120.500 0.083 0.000 2.870 226 R HA 0.275 4.625 4.340 0.017 0.000 0.262 226 R C 1.098 177.425 176.300 0.045 0.000 1.112 226 R CA -0.088 56.035 56.100 0.039 0.000 0.976 226 R CB 1.405 31.703 30.300 -0.004 0.000 1.261 226 R HN 0.763 nan 8.270 nan 0.000 0.453 227 S N 0.062 115.777 115.700 0.026 0.000 2.073 227 S HA -0.361 4.119 4.470 0.017 0.000 0.526 227 S C 0.999 175.620 174.600 0.036 0.000 0.931 227 S CA 3.802 62.017 58.200 0.025 0.000 3.292 227 S CB -0.902 62.305 63.200 0.012 0.000 2.301 227 S HN 0.845 nan 8.310 nan 0.000 0.562 228 T N -1.877 112.697 114.554 0.033 0.000 3.475 228 T HA 0.480 4.840 4.350 0.017 0.000 0.310 228 T C 0.014 174.733 174.700 0.032 0.000 0.963 228 T CA 0.279 62.407 62.100 0.047 0.000 0.985 228 T CB 0.245 69.134 68.868 0.035 0.000 1.198 228 T HN 0.580 nan 8.240 nan 0.000 0.508 229 T N 2.228 116.790 114.554 0.012 0.000 2.881 229 T HA 0.745 5.106 4.350 0.017 0.000 0.278 229 T C -0.138 174.513 174.700 -0.082 0.000 0.982 229 T CA -0.558 61.529 62.100 -0.022 0.000 0.989 229 T CB 1.475 70.330 68.868 -0.021 0.000 1.058 229 T HN 0.702 nan 8.240 nan 0.000 0.529 230 S N 0.516 116.145 115.700 -0.119 0.000 2.560 230 S HA 0.519 5.000 4.470 0.017 0.000 0.283 230 S C -1.684 172.841 174.600 -0.124 0.000 1.141 230 S CA -0.937 57.114 58.200 -0.248 0.000 0.902 230 S CB 2.010 64.920 63.200 -0.483 0.000 1.104 230 S HN 0.637 nan 8.310 nan 0.000 0.454 231 Q N 0.779 120.531 119.800 -0.080 0.000 2.458 231 Q HA 0.770 5.120 4.340 0.017 0.000 0.282 231 Q C -1.335 174.663 176.000 -0.004 0.000 1.106 231 Q CA -0.375 55.428 55.803 0.000 0.000 0.814 231 Q CB 2.437 31.226 28.738 0.085 0.000 1.425 231 Q HN 0.817 nan 8.270 nan 0.000 0.437 232 T N 2.315 116.892 114.554 0.037 0.000 2.893 232 T HA 0.534 4.895 4.350 0.017 0.000 0.324 232 T C -0.534 174.213 174.700 0.079 0.000 1.082 232 T CA -0.340 61.799 62.100 0.065 0.000 0.983 232 T CB -0.121 68.819 68.868 0.121 0.000 1.005 232 T HN 0.390 nan 8.240 nan 0.000 0.475 233 I N 3.410 124.006 120.570 0.042 0.000 2.337 233 I HA 0.215 4.395 4.170 0.017 0.000 0.291 233 I C 0.700 176.756 176.117 -0.102 0.000 1.046 233 I CA -0.381 60.924 61.300 0.009 0.000 1.324 233 I CB 0.566 38.589 38.000 0.038 0.000 1.409 233 I HN 0.308 nan 8.210 nan 0.000 0.494 234 K N 4.897 125.184 120.400 -0.188 0.000 2.401 234 K HA 0.499 4.829 4.320 0.017 0.000 0.278 234 K C -0.722 175.738 176.600 -0.233 0.000 1.018 234 K CA -0.202 55.841 56.287 -0.407 0.000 0.981 234 K CB 1.010 33.279 32.500 -0.384 0.000 0.933 234 K HN 0.316 nan 8.250 nan 0.000 0.477 235 V N 1.332 121.097 119.914 -0.248 0.000 2.971 235 V HA 0.184 4.315 4.120 0.017 0.000 0.309 235 V C -0.622 175.415 176.094 -0.095 0.000 1.130 235 V CA -0.873 61.352 62.300 -0.124 0.000 0.964 235 V CB 2.267 34.033 31.823 -0.095 0.000 1.029 235 V HN 0.902 nan 8.190 nan 0.000 0.427 236 S N 4.355 120.031 115.700 -0.040 0.000 2.554 236 S HA 0.474 4.955 4.470 0.017 0.000 0.278 236 S C -1.743 172.866 174.600 0.016 0.000 1.242 236 S CA -1.197 57.002 58.200 -0.001 0.000 1.051 236 S CB 1.718 64.930 63.200 0.020 0.000 0.986 236 S HN 0.524 nan 8.310 nan 0.000 0.502 237 P HA -0.100 nan 4.420 nan 0.000 0.216 237 P C 0.508 177.839 177.300 0.053 0.000 1.150 237 P CA 1.261 64.372 63.100 0.019 0.000 0.843 237 P CB 0.018 31.730 31.700 0.020 0.000 0.787 238 D N -1.076 119.373 120.400 0.082 0.000 2.363 238 D HA -0.031 4.619 4.640 0.017 0.000 0.220 238 D C -0.007 176.333 176.300 0.066 0.000 0.994 238 D CA 0.716 54.764 54.000 0.081 0.000 0.890 238 D CB -0.294 40.557 40.800 0.084 0.000 0.906 238 D HN 0.229 nan 8.370 nan 0.000 0.530 239 D N 1.311 121.744 120.400 0.055 0.000 2.389 239 D HA 0.065 4.716 4.640 0.017 0.000 0.247 239 D C 0.451 176.793 176.300 0.070 0.000 1.128 239 D CA 0.439 54.469 54.000 0.049 0.000 0.884 239 D CB 0.967 41.785 40.800 0.029 0.000 1.194 239 D HN -0.168 nan 8.370 nan 0.000 0.441 240 T N 3.182 117.780 114.554 0.074 0.000 2.899 240 T HA 0.131 4.491 4.350 0.017 0.000 0.295 240 T C -1.327 173.416 174.700 0.072 0.000 1.033 240 T CA -1.233 60.927 62.100 0.100 0.000 1.084 240 T CB 1.015 69.934 68.868 0.085 0.000 0.979 240 T HN 0.191 nan 8.240 nan 0.000 0.532 241 P HA -0.127 nan 4.420 nan 0.000 0.216 241 P C 1.731 179.051 177.300 0.034 0.000 1.153 241 P CA 1.158 64.266 63.100 0.014 0.000 0.858 241 P CB -0.239 31.463 31.700 0.004 0.000 0.789 242 G N 0.398 109.228 108.800 0.050 0.000 2.491 242 G HA2 -0.305 3.666 3.960 0.017 0.000 0.218 242 G HA3 -0.305 3.666 3.960 0.017 0.000 0.218 242 G C 1.706 176.628 174.900 0.037 0.000 1.180 242 G CA 1.264 46.386 45.100 0.037 0.000 0.774 242 G HN 0.375 nan 8.290 nan 0.000 0.562 243 A N 0.023 122.868 122.820 0.042 0.000 2.067 243 A HA 0.168 4.499 4.320 0.017 0.000 0.219 243 A C 2.348 179.964 177.584 0.054 0.000 1.158 243 A CA 1.059 53.122 52.037 0.042 0.000 0.661 243 A CB -0.246 18.778 19.000 0.039 0.000 0.801 243 A HN 0.415 nan 8.150 nan 0.000 0.452 244 I N -0.800 119.802 120.570 0.053 0.000 2.584 244 I HA -0.127 4.054 4.170 0.017 0.000 0.255 244 I C 2.178 178.371 176.117 0.125 0.000 1.145 244 I CA 0.499 61.834 61.300 0.060 0.000 1.462 244 I CB -0.084 37.923 38.000 0.013 0.000 1.102 244 I HN 0.278 nan 8.210 nan 0.000 0.433 245 L N -0.060 121.246 121.223 0.139 0.000 2.017 245 L HA -0.221 4.129 4.340 0.017 0.000 0.208 245 L C 2.424 179.515 176.870 0.368 0.000 1.073 245 L CA 1.405 56.416 54.840 0.285 0.000 0.745 245 L CB -0.574 41.598 42.059 0.189 0.000 0.894 245 L HN 0.285 nan 8.230 nan 0.000 0.432 246 Q N -0.400 119.501 119.800 0.168 0.000 2.436 246 Q HA -0.083 4.268 4.340 0.017 0.000 0.209 246 Q C 1.393 177.484 176.000 0.153 0.000 0.965 246 Q CA 1.189 57.072 55.803 0.133 0.000 0.910 246 Q CB 0.045 28.809 28.738 0.043 0.000 0.980 246 Q HN 0.515 nan 8.270 nan 0.000 0.491 247 S N -1.143 114.655 115.700 0.163 0.000 2.519 247 S HA 0.210 4.690 4.470 0.017 0.000 0.245 247 S C 0.148 174.879 174.600 0.218 0.000 1.152 247 S CA -0.698 57.584 58.200 0.136 0.000 1.175 247 S CB -0.168 63.083 63.200 0.085 0.000 0.829 247 S HN 0.403 nan 8.310 nan 0.000 0.472 248 F N -0.284 119.725 119.950 0.097 0.000 1.992 248 F HA 0.376 4.913 4.527 0.018 0.000 0.291 248 F C 0.656 176.491 175.800 0.057 0.000 0.983 248 F CA -0.432 57.605 58.000 0.061 0.000 1.181 248 F CB -0.324 38.714 39.000 0.063 0.000 1.419 248 F HN 0.184 nan 8.300 nan 0.000 0.616 249 F N 2.151 122.017 119.950 -0.139 0.000 2.202 249 F HA -0.140 4.397 4.527 0.017 0.000 0.301 249 F C 2.289 177.978 175.800 -0.185 0.000 1.082 249 F CA 2.458 60.331 58.000 -0.211 0.000 1.313 249 F CB -0.757 38.252 39.000 0.014 0.000 1.024 249 F HN 0.052 nan 8.300 nan 0.000 0.495 250 T N -1.228 113.368 114.554 0.072 0.000 2.937 250 T HA -0.132 4.229 4.350 0.017 0.000 0.260 250 T C 1.790 176.455 174.700 -0.058 0.000 1.051 250 T CA 1.127 63.236 62.100 0.014 0.000 1.141 250 T CB -0.136 68.756 68.868 0.040 0.000 0.879 250 T HN 0.043 nan 8.240 nan 0.000 0.459 251 K N 0.970 121.318 120.400 -0.087 0.000 2.442 251 K HA 0.156 4.487 4.320 0.017 0.000 0.198 251 K C 1.623 178.097 176.600 -0.211 0.000 1.042 251 K CA 1.193 57.412 56.287 -0.112 0.000 0.958 251 K CB -0.152 32.317 32.500 -0.052 0.000 0.766 251 K HN 0.278 nan 8.250 nan 0.000 0.474 252 M N -0.693 118.708 119.600 -0.332 0.000 2.279 252 M HA 0.320 4.811 4.480 0.017 0.000 0.299 252 M C -0.540 175.604 176.300 -0.259 0.000 0.970 252 M CA -0.127 54.950 55.300 -0.372 0.000 1.065 252 M CB 1.547 33.737 32.600 -0.684 0.000 1.669 252 M HN 0.117 nan 8.290 nan 0.000 0.582 253 A N 1.455 124.164 122.820 -0.185 0.000 2.429 253 A HA 0.713 5.044 4.320 0.017 0.000 0.289 253 A C -0.811 176.744 177.584 -0.049 0.000 1.043 253 A CA -0.518 51.455 52.037 -0.107 0.000 0.722 253 A CB 1.757 20.701 19.000 -0.093 0.000 1.243 253 A HN 0.184 nan 8.150 nan 0.000 0.415 269 D N 2.720 122.795 120.400 -0.542 0.000 2.473 269 D HA 0.607 5.258 4.640 0.017 0.000 0.253 269 D C -1.429 174.493 176.300 -0.630 0.000 1.233 269 D CA -0.051 53.702 54.000 -0.412 0.000 0.908 269 D CB 0.919 41.552 40.800 -0.278 0.000 1.170 269 D HN 0.347 nan 8.370 nan 0.000 0.558 270 F N 1.225 121.222 119.950 0.078 0.000 2.588 270 F HA 0.743 5.281 4.527 0.017 0.000 0.314 270 F C -0.250 175.600 175.800 0.083 0.000 1.069 270 F CA -1.063 57.009 58.000 0.120 0.000 0.931 270 F CB 1.702 40.850 39.000 0.247 0.000 1.260 270 F HN -0.031 nan 8.300 nan 0.000 0.465 271 V N 2.480 122.559 119.914 0.276 0.000 2.971 271 V HA 0.396 4.527 4.120 0.017 0.000 0.309 271 V C -0.784 175.409 176.094 0.165 0.000 1.130 271 V CA -0.986 61.418 62.300 0.174 0.000 0.964 271 V CB 2.731 34.621 31.823 0.111 0.000 1.029 271 V HN 0.518 nan 8.190 nan 0.000 0.427 272 L N 4.697 125.973 121.223 0.088 0.000 2.283 272 L HA 0.548 4.898 4.340 0.017 0.000 0.287 272 L C 0.313 177.173 176.870 -0.016 0.000 1.073 272 L CA 0.047 54.888 54.840 0.001 0.000 0.822 272 L CB 0.424 42.437 42.059 -0.077 0.000 1.186 272 L HN 0.592 nan 8.230 nan 0.000 0.436 273 R N 3.057 123.499 120.500 -0.097 0.000 2.589 273 R HA 0.532 4.882 4.340 0.017 0.000 0.293 273 R C -0.971 175.109 176.300 -0.367 0.000 0.963 273 R CA -0.710 55.173 56.100 -0.362 0.000 0.905 273 R CB 1.808 31.808 30.300 -0.500 0.000 1.144 273 R HN 0.332 nan 8.270 nan 0.000 0.459 274 V N 4.242 123.856 119.914 -0.499 0.000 2.585 274 V HA -0.016 4.115 4.120 0.017 0.000 0.296 274 V C 0.271 176.106 176.094 -0.431 0.000 1.035 274 V CA -0.305 61.679 62.300 -0.526 0.000 1.084 274 V CB 0.584 31.802 31.823 -1.007 0.000 0.953 274 V HN 0.842 nan 8.190 nan 0.000 0.483 275 C N 5.300 124.424 119.300 -0.294 0.000 2.638 275 C HA 0.464 4.935 4.460 0.017 0.000 0.410 275 C C 1.545 176.392 174.990 -0.238 0.000 1.404 275 C CA 0.752 59.621 59.018 -0.248 0.000 1.651 275 C CB -1.050 26.553 27.740 -0.228 0.000 2.495 275 C HN 1.329 nan 8.230 nan 0.000 0.606 276 G N 3.578 112.244 108.800 -0.225 0.000 2.179 276 G HA2 -0.165 3.805 3.960 0.017 0.000 0.220 276 G HA3 -0.165 3.805 3.960 0.017 0.000 0.220 276 G C -0.104 174.660 174.900 -0.228 0.000 0.990 276 G CA -0.160 44.829 45.100 -0.186 0.000 0.646 276 G HN 0.736 nan 8.290 nan 0.000 0.517 277 R N -0.197 120.115 120.500 -0.313 0.000 2.566 277 R HA 0.328 4.679 4.340 0.017 0.000 0.271 277 R C -1.801 174.276 176.300 -0.372 0.000 1.071 277 R CA -0.885 55.006 56.100 -0.348 0.000 0.915 277 R CB 1.388 31.391 30.300 -0.495 0.000 1.228 277 R HN 0.114 nan 8.270 nan 0.000 0.449 278 D N 2.225 122.457 120.400 -0.280 0.000 2.429 278 D HA 0.052 4.702 4.640 0.017 0.000 0.253 278 D C -0.863 175.299 176.300 -0.231 0.000 1.294 278 D CA 0.859 54.717 54.000 -0.238 0.000 1.063 278 D CB 0.393 41.132 40.800 -0.103 0.000 1.096 278 D HN 0.319 nan 8.370 nan 0.000 0.516 279 E N 2.278 122.161 120.200 -0.529 0.000 2.451 279 E HA 0.283 4.643 4.350 0.017 0.000 0.295 279 E C -1.990 174.233 176.600 -0.627 0.000 0.966 279 E CA -0.601 55.542 56.400 -0.428 0.000 0.808 279 E CB 0.459 29.954 29.700 -0.341 0.000 1.242 279 E HN 0.253 nan 8.360 nan 0.000 0.412 280 Y N 2.827 123.004 120.300 -0.205 0.000 2.477 280 Y HA 0.468 5.028 4.550 0.017 0.000 0.347 280 Y C -0.559 175.278 175.900 -0.105 0.000 0.981 280 Y CA -1.174 56.831 58.100 -0.158 0.000 1.033 280 Y CB 1.577 39.950 38.460 -0.146 0.000 1.245 280 Y HN 0.340 nan 8.280 nan 0.000 0.455 281 L N 5.314 126.485 121.223 -0.086 0.000 2.353 281 L HA 0.479 4.829 4.340 0.017 0.000 0.269 281 L C -0.443 176.315 176.870 -0.186 0.000 1.085 281 L CA -0.562 53.988 54.840 -0.483 0.000 0.938 281 L CB -0.686 40.972 42.059 -0.669 0.000 1.312 281 L HN 0.448 nan 8.230 nan 0.000 0.429 282 V N -1.162 118.844 119.914 0.153 0.000 3.078 282 V HA 1.074 5.204 4.120 0.017 0.000 0.311 282 V C 0.253 176.560 176.094 0.355 0.000 1.138 282 V CA -0.536 61.888 62.300 0.206 0.000 1.007 282 V CB 1.584 33.471 31.823 0.107 0.000 1.045 282 V HN 0.811 nan 8.190 nan 0.000 0.432 283 G N 1.320 110.250 108.800 0.217 0.000 2.612 283 G HA2 0.012 3.983 3.960 0.017 0.000 0.686 283 G HA3 0.012 3.983 3.960 0.017 0.000 0.686 283 G C -0.656 174.339 174.900 0.159 0.000 1.274 283 G CA -0.399 44.796 45.100 0.158 0.000 0.849 283 G HN 0.998 nan 8.290 nan 0.000 0.595 284 E N 1.233 121.486 120.200 0.088 0.000 2.148 284 E HA 0.334 4.695 4.350 0.017 0.000 0.308 284 E C 0.208 176.838 176.600 0.051 0.000 1.278 284 E CA 0.450 56.892 56.400 0.071 0.000 1.368 284 E CB -0.149 29.577 29.700 0.044 0.000 1.229 284 E HN 0.556 nan 8.360 nan 0.000 0.494 285 T N 1.943 116.550 114.554 0.089 0.000 2.886 285 T HA 0.354 4.715 4.350 0.017 0.000 0.292 285 T C -2.593 172.205 174.700 0.163 0.000 1.012 285 T CA -1.748 60.368 62.100 0.026 0.000 0.982 285 T CB 2.287 70.992 68.868 -0.270 0.000 1.018 285 T HN 0.052 nan 8.240 nan 0.000 0.451 286 P HA 0.152 nan 4.420 nan 0.000 0.267 286 P C 0.714 178.154 177.300 0.233 0.000 1.200 286 P CA -0.388 62.792 63.100 0.134 0.000 0.772 286 P CB 0.694 32.442 31.700 0.079 0.000 0.855 287 I N 2.620 123.314 120.570 0.207 0.000 2.614 287 I HA -0.206 3.975 4.170 0.017 0.000 0.258 287 I C 2.101 178.336 176.117 0.198 0.000 1.189 287 I CA 1.632 63.075 61.300 0.239 0.000 1.462 287 I CB -1.109 36.913 38.000 0.035 0.000 1.092 287 I HN 0.509 nan 8.210 nan 0.000 0.442 288 K N 0.263 120.703 120.400 0.066 0.000 2.362 288 K HA -0.092 4.238 4.320 0.017 0.000 0.200 288 K C 1.078 177.657 176.600 -0.035 0.000 1.046 288 K CA 1.138 57.393 56.287 -0.053 0.000 0.952 288 K CB -0.259 32.132 32.500 -0.182 0.000 0.753 288 K HN 0.106 nan 8.250 nan 0.000 0.466 289 N N 0.065 118.782 118.700 0.028 0.000 2.313 289 N HA 0.164 4.915 4.740 0.017 0.000 0.207 289 N C -1.154 174.283 175.510 -0.121 0.000 1.141 289 N CA -0.037 52.980 53.050 -0.055 0.000 0.830 289 N CB 0.088 38.525 38.487 -0.083 0.000 1.008 289 N HN 0.067 nan 8.380 nan 0.000 0.481 290 F N 0.496 120.418 119.950 -0.048 0.000 2.399 290 F HA 0.272 4.810 4.527 0.018 0.000 0.334 290 F C 1.737 177.468 175.800 -0.115 0.000 1.097 290 F CA -0.630 57.350 58.000 -0.033 0.000 1.076 290 F CB 1.354 40.375 39.000 0.036 0.000 1.162 290 F HN -0.117 nan 8.300 nan 0.000 0.495 291 Q N 2.338 122.093 119.800 -0.075 0.000 2.123 291 Q HA -0.206 4.145 4.340 0.017 0.000 0.199 291 Q C 2.146 178.051 176.000 -0.159 0.000 0.966 291 Q CA 1.221 56.792 55.803 -0.387 0.000 0.845 291 Q CB -0.358 27.604 28.738 -1.294 0.000 0.907 291 Q HN 0.866 nan 8.270 nan 0.000 0.439 292 W N 0.798 122.042 121.300 -0.092 0.000 2.363 292 W HA -0.146 4.525 4.660 0.017 0.000 0.296 292 W C 1.545 178.084 176.519 0.034 0.000 1.212 292 W CA 1.135 58.478 57.345 -0.003 0.000 1.260 292 W CB 0.200 29.679 29.460 0.031 0.000 1.131 292 W HN -0.084 nan 8.180 nan 0.000 0.530 293 V N 1.466 121.432 119.914 0.087 0.000 2.515 293 V HA -0.244 3.886 4.120 0.017 0.000 0.250 293 V C 2.443 178.461 176.094 -0.126 0.000 1.058 293 V CA 1.761 64.047 62.300 -0.023 0.000 1.064 293 V CB -0.751 31.103 31.823 0.052 0.000 0.675 293 V HN 0.119 nan 8.190 nan 0.000 0.461 294 R N -0.699 119.726 120.500 -0.124 0.000 2.193 294 R HA -0.095 4.255 4.340 0.017 0.000 0.213 294 R C 2.235 178.432 176.300 -0.171 0.000 1.055 294 R CA 1.244 57.250 56.100 -0.157 0.000 0.995 294 R CB -0.348 29.860 30.300 -0.153 0.000 0.893 294 R HN 0.678 nan 8.270 nan 0.000 0.459 295 H N -0.232 118.643 119.070 -0.325 0.000 2.403 295 H HA -0.019 4.548 4.556 0.017 0.000 0.298 295 H C 1.765 176.850 175.328 -0.405 0.000 1.059 295 H CA 1.437 57.260 56.048 -0.376 0.000 1.363 295 H CB -0.042 29.413 29.762 -0.512 0.000 1.410 295 H HN 0.065 nan 8.280 nan 0.000 0.528 296 C N 0.175 119.162 119.300 -0.523 0.000 2.446 296 C HA 0.046 4.516 4.460 0.017 0.000 0.279 296 C C 2.711 177.531 174.990 -0.283 0.000 1.366 296 C CA 0.440 59.193 59.018 -0.441 0.000 1.763 296 C CB -0.956 26.587 27.740 -0.328 0.000 1.929 296 C HN 0.548 nan 8.230 nan 0.000 0.509 297 L N 0.629 121.711 121.223 -0.235 0.000 2.068 297 L HA -0.073 4.277 4.340 0.017 0.000 0.204 297 L C 2.636 179.412 176.870 -0.157 0.000 1.076 297 L CA 1.316 56.058 54.840 -0.163 0.000 0.753 297 L CB -0.650 41.319 42.059 -0.151 0.000 0.910 297 L HN 0.242 nan 8.230 nan 0.000 0.439 298 K N 0.148 120.438 120.400 -0.183 0.000 2.160 298 K HA -0.169 4.161 4.320 0.017 0.000 0.206 298 K C 1.328 177.812 176.600 -0.193 0.000 1.047 298 K CA 1.360 57.557 56.287 -0.149 0.000 0.930 298 K CB 0.071 32.483 32.500 -0.148 0.000 0.720 298 K HN 0.299 nan 8.250 nan 0.000 0.450 299 N N -0.570 117.958 118.700 -0.286 0.000 2.230 299 N HA 0.044 4.795 4.740 0.017 0.000 0.202 299 N C -0.033 175.374 175.510 -0.172 0.000 1.119 299 N CA 0.808 53.700 53.050 -0.264 0.000 0.851 299 N CB 1.324 39.550 38.487 -0.435 0.000 0.990 299 N HN 0.362 nan 8.380 nan 0.000 0.497 300 G N 1.491 110.208 108.800 -0.139 0.000 2.272 300 G HA2 -0.251 3.719 3.960 0.017 0.000 0.280 300 G HA3 -0.251 3.719 3.960 0.017 0.000 0.280 300 G C -0.266 174.592 174.900 -0.071 0.000 1.067 300 G CA 0.174 45.223 45.100 -0.085 0.000 0.902 300 G HN 0.398 nan 8.290 nan 0.000 0.500 301 E N -0.565 119.582 120.200 -0.089 0.000 2.343 301 E HA 0.382 4.742 4.350 0.017 0.000 0.270 301 E C -0.260 176.340 176.600 -0.000 0.000 0.895 301 E CA -0.852 55.520 56.400 -0.048 0.000 0.767 301 E CB 1.494 31.142 29.700 -0.086 0.000 1.248 301 E HN 0.436 nan 8.360 nan 0.000 0.440 302 E N 2.091 122.345 120.200 0.091 0.000 2.290 302 E HA 0.161 4.521 4.350 0.017 0.000 0.277 302 E C -0.386 176.342 176.600 0.212 0.000 1.035 302 E CA -0.111 56.377 56.400 0.146 0.000 0.873 302 E CB 0.769 30.618 29.700 0.248 0.000 1.029 302 E HN 0.316 nan 8.360 nan 0.000 0.419 303 I N 4.116 124.746 120.570 0.101 0.000 2.471 303 I HA -0.002 4.178 4.170 0.017 0.000 0.294 303 I C -0.038 176.135 176.117 0.093 0.000 1.123 303 I CA 0.306 61.698 61.300 0.152 0.000 1.336 303 I CB -0.380 37.674 38.000 0.089 0.000 1.430 303 I HN 0.391 nan 8.210 nan 0.000 0.533 304 H N 4.483 123.676 119.070 0.206 0.000 2.457 304 H HA 0.696 5.262 4.556 0.017 0.000 0.335 304 H C -0.745 174.578 175.328 -0.009 0.000 1.115 304 H CA -0.397 55.718 56.048 0.111 0.000 1.219 304 H CB 1.721 31.516 29.762 0.056 0.000 1.471 304 H HN 0.231 nan 8.280 nan 0.000 0.491 305 V N 4.023 123.952 119.914 0.024 0.000 2.817 305 V HA 0.156 4.286 4.120 0.017 0.000 0.303 305 V C -0.744 175.332 176.094 -0.030 0.000 1.151 305 V CA -0.740 61.522 62.300 -0.063 0.000 0.929 305 V CB 2.508 34.294 31.823 -0.062 0.000 1.030 305 V HN 0.515 nan 8.190 nan 0.000 0.427 306 V N 5.238 125.090 119.914 -0.103 0.000 2.997 306 V HA 0.608 4.738 4.120 0.017 0.000 0.311 306 V C -0.399 175.674 176.094 -0.035 0.000 1.066 306 V CA -0.480 61.795 62.300 -0.041 0.000 1.039 306 V CB 1.900 33.681 31.823 -0.069 0.000 1.081 306 V HN 0.734 nan 8.190 nan 0.000 0.467 307 L N 5.405 126.618 121.223 -0.017 0.000 2.280 307 L HA 0.659 5.010 4.340 0.017 0.000 0.287 307 L C -0.927 176.004 176.870 0.101 0.000 1.023 307 L CA 0.157 54.998 54.840 0.002 0.000 0.819 307 L CB 1.029 43.020 42.059 -0.113 0.000 1.212 307 L HN 0.899 nan 8.230 nan 0.000 0.420 308 D N 1.242 121.777 120.400 0.225 0.000 2.768 308 D HA 0.257 4.908 4.640 0.017 0.000 0.327 308 D C -0.920 175.581 176.300 0.335 0.000 1.302 308 D CA -0.612 53.580 54.000 0.320 0.000 0.897 308 D CB 0.790 41.695 40.800 0.176 0.000 1.420 308 D HN 0.301 nan 8.370 nan 0.000 0.494 309 T N 1.047 115.731 114.554 0.217 0.000 2.930 309 T HA 0.411 4.772 4.350 0.017 0.000 0.306 309 T C -2.262 172.461 174.700 0.038 0.000 1.045 309 T CA -0.486 61.639 62.100 0.042 0.000 1.134 309 T CB 0.238 69.097 68.868 -0.015 0.000 0.961 309 T HN 0.232 nan 8.240 nan 0.000 0.545 310 P HA 0.094 nan 4.420 nan 0.000 0.264 310 P C -2.197 175.058 177.300 -0.076 0.000 1.179 310 P CA -0.848 62.196 63.100 -0.094 0.000 0.763 310 P CB -0.343 31.290 31.700 -0.112 0.000 0.806 311 P HA 0.093 nan 4.420 nan 0.000 0.279 311 P C -0.492 176.777 177.300 -0.053 0.000 1.239 311 P CA -0.117 62.954 63.100 -0.049 0.000 0.789 311 P CB 0.551 32.226 31.700 -0.042 0.000 0.933 312 D N 3.675 124.057 120.400 -0.029 0.000 2.412 312 D HA 0.021 4.672 4.640 0.017 0.000 0.257 312 D C -1.320 174.970 176.300 -0.016 0.000 1.217 312 D CA -1.679 52.306 54.000 -0.026 0.000 0.897 312 D CB 0.420 41.209 40.800 -0.018 0.000 1.132 312 D HN 0.143 nan 8.370 nan 0.000 0.493 313 P HA -0.128 nan 4.420 nan 0.000 0.219 313 P C 0.932 178.240 177.300 0.013 0.000 1.146 313 P CA 1.182 64.289 63.100 0.012 0.000 0.808 313 P CB 0.106 31.809 31.700 0.005 0.000 0.779 314 A N -0.398 122.420 122.820 -0.003 0.000 1.978 314 A HA -0.173 4.158 4.320 0.017 0.000 0.220 314 A C 2.150 179.731 177.584 -0.006 0.000 1.170 314 A CA 1.351 53.383 52.037 -0.009 0.000 0.636 314 A CB -1.654 17.336 19.000 -0.017 0.000 0.810 314 A HN 0.154 nan 8.150 nan 0.000 0.448 315 L N -0.355 120.868 121.223 -0.000 0.000 2.127 315 L HA -0.190 4.161 4.340 0.017 0.000 0.211 315 L C 1.208 178.089 176.870 0.017 0.000 1.089 315 L CA 1.297 56.139 54.840 0.003 0.000 0.757 315 L CB -0.489 41.573 42.059 0.006 0.000 0.899 315 L HN 0.265 nan 8.230 nan 0.000 0.434 316 D N 0.050 120.475 120.400 0.042 0.000 2.336 316 D HA -0.057 4.593 4.640 0.017 0.000 0.229 316 D C 0.737 177.063 176.300 0.043 0.000 1.061 316 D CA 0.163 54.216 54.000 0.089 0.000 0.875 316 D CB -0.162 40.765 40.800 0.212 0.000 0.904 316 D HN 0.459 nan 8.370 nan 0.000 0.525 317 E N 0.692 120.894 120.200 0.003 0.000 2.452 317 E HA 0.041 4.401 4.350 0.017 0.000 0.261 317 E C -0.572 176.002 176.600 -0.043 0.000 0.987 317 E CA -0.082 56.302 56.400 -0.027 0.000 0.926 317 E CB 0.820 30.498 29.700 -0.037 0.000 0.934 317 E HN -0.252 nan 8.360 nan 0.000 0.452 318 V N 5.336 125.216 119.914 -0.056 0.000 2.439 318 V HA 0.203 4.334 4.120 0.017 0.000 0.282 318 V C 0.551 176.592 176.094 -0.089 0.000 1.039 318 V CA -0.532 61.728 62.300 -0.066 0.000 0.913 318 V CB 1.293 33.084 31.823 -0.054 0.000 0.983 318 V HN 0.744 nan 8.190 nan 0.000 0.460 319 R N 5.361 125.770 120.500 -0.151 0.000 2.458 319 R HA 0.080 4.430 4.340 0.017 0.000 0.303 319 R C 0.402 176.638 176.300 -0.108 0.000 1.013 319 R CA -0.452 55.521 56.100 -0.211 0.000 1.026 319 R CB 0.367 30.366 30.300 -0.501 0.000 0.948 319 R HN 0.713 nan 8.270 nan 0.000 0.417 320 K N 4.248 124.603 120.400 -0.074 0.000 2.484 320 K HA -0.023 4.308 4.320 0.017 0.000 0.280 320 K C -0.829 175.779 176.600 0.013 0.000 1.013 320 K CA 0.530 56.806 56.287 -0.018 0.000 1.029 320 K CB 0.599 33.087 32.500 -0.020 0.000 0.902 320 K HN 0.575 nan 8.250 nan 0.000 0.481 321 E N 2.222 122.471 120.200 0.081 0.000 2.277 321 E HA 0.106 4.467 4.350 0.017 0.000 0.274 321 E C -0.613 176.039 176.600 0.085 0.000 1.022 321 E CA -0.515 55.961 56.400 0.126 0.000 0.853 321 E CB 1.095 30.985 29.700 0.316 0.000 1.086 321 E HN 0.508 nan 8.360 nan 0.000 0.397 322 E N 2.485 122.674 120.200 -0.018 0.000 2.989 322 E HA 0.119 4.479 4.350 0.017 0.000 0.224 322 E C -0.933 175.622 176.600 -0.076 0.000 1.175 322 E CA -0.303 56.080 56.400 -0.029 0.000 1.300 322 E CB 0.369 30.035 29.700 -0.056 0.000 1.422 322 E HN 0.379 nan 8.360 nan 0.000 0.439 358 D N 0.058 120.468 120.400 0.018 0.000 2.424 358 D HA 0.283 4.933 4.640 0.017 0.000 0.220 358 D C 0.496 176.805 176.300 0.014 0.000 1.150 358 D CA 0.005 54.014 54.000 0.015 0.000 0.831 358 D CB 0.156 40.961 40.800 0.008 0.000 0.981 358 D HN 0.546 nan 8.370 nan 0.000 0.500 359 R N 0.818 121.326 120.500 0.015 0.000 2.615 359 R HA 0.281 4.631 4.340 0.017 0.000 0.270 359 R C -0.269 176.053 176.300 0.035 0.000 1.081 359 R CA -0.240 55.863 56.100 0.006 0.000 1.154 359 R CB 0.406 30.695 30.300 -0.018 0.000 1.063 359 R HN -0.152 nan 8.270 nan 0.000 0.519 360 K N 2.568 122.989 120.400 0.035 0.000 2.382 360 K HA 0.031 4.361 4.320 0.017 0.000 0.275 360 K C -0.260 176.419 176.600 0.131 0.000 1.009 360 K CA -0.027 56.317 56.287 0.094 0.000 0.970 360 K CB 0.259 32.808 32.500 0.082 0.000 0.934 360 K HN 0.430 nan 8.250 nan 0.000 0.479 361 F N 4.030 124.023 119.950 0.073 0.000 2.572 361 F HA 0.023 4.561 4.527 0.018 0.000 0.370 361 F C 0.292 176.234 175.800 0.238 0.000 1.103 361 F CA 0.168 58.221 58.000 0.089 0.000 1.286 361 F CB 0.478 39.480 39.000 0.002 0.000 1.105 361 F HN 0.472 nan 8.300 nan 0.000 0.583 362 R N 5.165 125.265 120.500 -0.666 0.000 2.651 362 R HA 0.749 5.100 4.340 0.017 0.000 0.278 362 R C -2.276 173.755 176.300 -0.448 0.000 1.010 362 R CA -1.167 54.742 56.100 -0.318 0.000 0.896 362 R CB 1.578 31.782 30.300 -0.160 0.000 1.211 362 R HN 0.560 nan 8.270 nan 0.000 0.456 363 V N 2.070 121.993 119.914 0.015 0.000 2.555 363 V HA 0.405 4.536 4.120 0.017 0.000 0.302 363 V C -0.683 175.517 176.094 0.176 0.000 1.038 363 V CA -0.945 61.434 62.300 0.132 0.000 0.887 363 V CB 1.952 33.904 31.823 0.216 0.000 0.991 363 V HN 0.810 nan 8.190 nan 0.000 0.434 364 K N 6.468 126.854 120.400 -0.023 0.000 2.276 364 K HA 0.431 4.761 4.320 0.017 0.000 0.285 364 K C -0.603 175.891 176.600 -0.177 0.000 1.062 364 K CA -0.612 55.448 56.287 -0.379 0.000 0.918 364 K CB 0.650 32.620 32.500 -0.884 0.000 1.055 364 K HN 0.594 nan 8.250 nan 0.000 0.477 365 I N 6.607 127.093 120.570 -0.140 0.000 2.269 365 I HA 0.096 4.276 4.170 0.017 0.000 0.293 365 I C 1.374 177.484 176.117 -0.012 0.000 1.106 365 I CA 0.093 61.351 61.300 -0.069 0.000 1.248 365 I CB 0.494 38.421 38.000 -0.122 0.000 1.444 365 I HN 0.682 nan 8.210 nan 0.000 0.497 366 R N 3.782 124.267 120.500 -0.025 0.000 2.066 366 R HA 0.107 4.458 4.340 0.017 0.000 0.232 366 R C 1.019 177.375 176.300 0.093 0.000 1.131 366 R CA 0.917 57.014 56.100 -0.006 0.000 0.955 366 R CB 0.105 30.381 30.300 -0.041 0.000 0.851 366 R HN 0.783 nan 8.270 nan 0.000 0.432 367 G N 0.118 108.995 108.800 0.128 0.000 2.324 367 G HA2 0.301 4.272 3.960 0.017 0.000 0.293 367 G HA3 0.301 4.272 3.960 0.017 0.000 0.293 367 G C -1.562 173.422 174.900 0.141 0.000 1.297 367 G CA -0.732 44.496 45.100 0.213 0.000 0.853 367 G HN 0.194 nan 8.290 nan 0.000 0.535 368 I N -1.911 118.745 120.570 0.144 0.000 2.693 368 I HA 0.891 5.071 4.170 0.017 0.000 0.303 368 I C -1.547 174.578 176.117 0.014 0.000 1.025 368 I CA -1.070 60.267 61.300 0.062 0.000 1.086 368 I CB 2.682 40.741 38.000 0.097 0.000 1.268 368 I HN 0.482 nan 8.210 nan 0.000 0.440 369 D N 5.684 126.065 120.400 -0.032 0.000 2.970 369 D HA 0.501 5.152 4.640 0.017 0.000 0.230 369 D C -1.086 175.187 176.300 -0.045 0.000 1.276 369 D CA -0.151 53.832 54.000 -0.027 0.000 0.910 369 D CB 2.532 43.315 40.800 -0.029 0.000 1.590 369 D HN 0.785 nan 8.370 nan 0.000 0.551 370 I N 1.414 121.968 120.570 -0.027 0.000 2.689 370 I HA 0.355 4.535 4.170 0.017 0.000 0.299 370 I C -1.953 174.150 176.117 -0.024 0.000 1.059 370 I CA -2.707 58.574 61.300 -0.032 0.000 1.055 370 I CB 3.142 41.118 38.000 -0.040 0.000 1.243 370 I HN 0.055 nan 8.210 nan 0.000 0.425 371 P HA 0.053 nan 4.420 nan 0.000 0.219 371 P C -0.221 177.059 177.300 -0.033 0.000 1.154 371 P CA 0.638 63.725 63.100 -0.022 0.000 0.826 371 P CB 0.304 31.996 31.700 -0.013 0.000 0.795 372 V N 1.199 121.096 119.914 -0.028 0.000 2.448 372 V HA 0.256 4.386 4.120 0.017 0.000 0.295 372 V C -0.114 175.948 176.094 -0.053 0.000 1.025 372 V CA -1.053 61.224 62.300 -0.039 0.000 0.859 372 V CB 1.964 33.776 31.823 -0.018 0.000 0.988 372 V HN -0.059 nan 8.190 nan 0.000 0.431 373 L N 8.063 129.214 121.223 -0.121 0.000 2.360 373 L HA 0.343 4.694 4.340 0.017 0.000 0.276 373 L C -1.071 175.729 176.870 -0.118 0.000 1.121 373 L CA -1.015 53.688 54.840 -0.229 0.000 0.845 373 L CB 1.313 43.151 42.059 -0.367 0.000 1.143 373 L HN 0.565 nan 8.230 nan 0.000 0.452 374 P HA -0.257 nan 4.420 nan 0.000 0.234 374 P C 0.283 177.588 177.300 0.009 0.000 0.905 374 P CA 1.333 64.464 63.100 0.052 0.000 1.088 374 P CB 0.153 31.942 31.700 0.149 0.000 0.681 375 R N -2.948 117.562 120.500 0.016 0.000 2.880 375 R HA 0.160 4.511 4.340 0.017 0.000 0.156 375 R C 1.574 177.881 176.300 0.012 0.000 0.884 375 R CA 0.646 56.753 56.100 0.011 0.000 1.623 375 R CB -1.231 29.084 30.300 0.024 0.000 1.687 375 R HN 0.096 nan 8.270 nan 0.000 0.538 376 N N 0.641 119.358 118.700 0.028 0.000 2.124 376 N HA 0.022 4.772 4.740 0.017 0.000 0.188 376 N C 0.556 176.080 175.510 0.024 0.000 1.045 376 N CA 3.195 56.264 53.050 0.031 0.000 0.846 376 N CB 0.285 38.801 38.487 0.048 0.000 1.020 376 N HN 0.553 nan 8.380 nan 0.000 0.432 377 T N -3.667 110.904 114.554 0.028 0.000 3.579 377 T HA 0.107 4.467 4.350 0.017 0.000 0.182 377 T C -0.466 174.243 174.700 0.014 0.000 0.819 377 T CA 0.187 62.299 62.100 0.020 0.000 0.959 377 T CB 0.641 69.528 68.868 0.033 0.000 1.037 377 T HN 0.313 nan 8.240 nan 0.000 0.303 378 D N -0.327 120.105 120.400 0.053 0.000 2.599 378 D HA 0.056 4.706 4.640 0.017 0.000 0.472 378 D C 0.136 176.542 176.300 0.177 0.000 1.161 378 D CA -0.393 53.650 54.000 0.071 0.000 1.048 378 D CB -0.118 40.708 40.800 0.042 0.000 1.602 378 D HN 0.204 nan 8.370 nan 0.000 0.380 379 L N 2.433 123.764 121.223 0.180 0.000 2.613 379 L HA -0.034 4.316 4.340 0.017 0.000 0.304 379 L C 1.284 178.290 176.870 0.226 0.000 1.266 379 L CA 1.494 56.441 54.840 0.180 0.000 0.868 379 L CB 0.366 42.518 42.059 0.155 0.000 1.111 379 L HN 0.204 nan 8.230 nan 0.000 0.515 380 T N 2.951 117.614 114.554 0.182 0.000 2.856 380 T HA 0.218 4.578 4.350 0.017 0.000 0.329 380 T C -0.193 174.606 174.700 0.166 0.000 1.094 380 T CA -0.337 61.879 62.100 0.193 0.000 1.112 380 T CB 0.300 69.282 68.868 0.190 0.000 1.009 380 T HN 0.371 nan 8.240 nan 0.000 0.550 381 V N 5.235 125.257 119.914 0.179 0.000 2.733 381 V HA 0.674 4.805 4.120 0.017 0.000 0.306 381 V C -0.634 175.679 176.094 0.365 0.000 1.084 381 V CA -0.824 61.517 62.300 0.068 0.000 0.905 381 V CB 1.553 33.252 31.823 -0.206 0.000 1.010 381 V HN 0.881 nan 8.190 nan 0.000 0.424 382 F N 3.132 123.185 119.950 0.171 0.000 2.664 382 F HA 0.957 5.495 4.527 0.017 0.000 0.329 382 F C -0.860 174.904 175.800 -0.059 0.000 1.090 382 F CA -1.432 56.620 58.000 0.086 0.000 0.978 382 F CB 1.601 40.610 39.000 0.015 0.000 1.378 382 F HN 0.162 nan 8.300 nan 0.000 0.495 383 V N 0.831 120.678 119.914 -0.112 0.000 2.459 383 V HA 0.365 4.495 4.120 0.017 0.000 0.295 383 V C -0.723 175.423 176.094 0.087 0.000 1.029 383 V CA -0.664 61.562 62.300 -0.123 0.000 0.874 383 V CB 1.357 32.968 31.823 -0.353 0.000 0.985 383 V HN 0.850 nan 8.190 nan 0.000 0.438 384 E N 3.392 123.703 120.200 0.185 0.000 2.133 384 E HA 0.676 5.037 4.350 0.017 0.000 0.274 384 E C -0.631 176.072 176.600 0.171 0.000 0.930 384 E CA -0.674 55.858 56.400 0.220 0.000 0.770 384 E CB 1.535 31.437 29.700 0.336 0.000 1.104 384 E HN 0.820 nan 8.360 nan 0.000 0.403 385 A N 5.482 128.406 122.820 0.174 0.000 2.273 385 A HA 0.371 4.702 4.320 0.017 0.000 0.320 385 A C -0.706 177.090 177.584 0.352 0.000 1.358 385 A CA -0.847 51.351 52.037 0.268 0.000 0.910 385 A CB 0.416 19.645 19.000 0.382 0.000 1.159 385 A HN 0.656 nan 8.150 nan 0.000 0.526 386 N N 2.399 121.227 118.700 0.215 0.000 2.430 386 N HA 0.365 5.115 4.740 0.017 0.000 0.292 386 N C -0.620 174.902 175.510 0.019 0.000 1.051 386 N CA -0.284 52.858 53.050 0.153 0.000 0.917 386 N CB 1.704 40.250 38.487 0.099 0.000 1.164 386 N HN 0.519 nan 8.380 nan 0.000 0.484 387 I N 1.969 122.498 120.570 -0.068 0.000 2.312 387 I HA 0.179 4.360 4.170 0.017 0.000 0.291 387 I C 0.299 176.363 176.117 -0.088 0.000 1.031 387 I CA -0.073 61.103 61.300 -0.208 0.000 1.293 387 I CB 0.562 38.342 38.000 -0.366 0.000 1.403 387 I HN 0.260 nan 8.210 nan 0.000 0.484 388 Q N 5.223 124.977 119.800 -0.076 0.000 2.356 388 Q HA 0.420 4.770 4.340 0.017 0.000 0.270 388 Q C -1.015 174.982 176.000 -0.005 0.000 1.058 388 Q CA -0.647 55.139 55.803 -0.029 0.000 0.802 388 Q CB 3.003 31.720 28.738 -0.035 0.000 1.303 388 Q HN 0.531 nan 8.270 nan 0.000 0.444 389 H N 0.501 119.509 119.070 -0.103 0.000 3.018 389 H HA 0.258 4.824 4.556 0.017 0.000 0.334 389 H C 0.076 175.299 175.328 -0.176 0.000 0.983 389 H CA 0.716 56.678 56.048 -0.145 0.000 1.363 389 H CB 1.425 31.118 29.762 -0.115 0.000 1.668 389 H HN 0.945 nan 8.280 nan 0.000 0.513 390 G N 4.207 112.764 108.800 -0.405 0.000 2.246 390 G HA2 -0.339 3.631 3.960 0.017 0.000 0.273 390 G HA3 -0.339 3.631 3.960 0.017 0.000 0.273 390 G C 0.493 175.268 174.900 -0.209 0.000 1.055 390 G CA 1.015 45.905 45.100 -0.349 0.000 0.851 390 G HN 0.866 nan 8.290 nan 0.000 0.500 391 Q N -2.320 117.394 119.800 -0.144 0.000 2.393 391 Q HA -0.277 4.073 4.340 0.017 0.000 0.235 391 Q C 0.652 176.624 176.000 -0.047 0.000 0.823 391 Q CA 2.027 57.780 55.803 -0.082 0.000 1.284 391 Q CB -0.702 27.984 28.738 -0.087 0.000 1.669 391 Q HN 0.924 nan 8.270 nan 0.000 0.597 392 Q N 0.502 120.282 119.800 -0.033 0.000 2.274 392 Q HA 0.429 4.779 4.340 0.017 0.000 0.256 392 Q C -0.410 175.605 176.000 0.024 0.000 0.927 392 Q CA -0.141 55.668 55.803 0.010 0.000 0.939 392 Q CB 1.238 30.008 28.738 0.053 0.000 1.201 392 Q HN 0.256 nan 8.270 nan 0.000 0.426 393 V N 4.165 124.094 119.914 0.025 0.000 2.387 393 V HA 0.125 4.255 4.120 0.017 0.000 0.260 393 V C 0.894 177.005 176.094 0.028 0.000 1.054 393 V CA 0.023 62.340 62.300 0.029 0.000 0.967 393 V CB 0.084 31.931 31.823 0.040 0.000 1.036 393 V HN 0.952 nan 8.190 nan 0.000 0.481 394 L N 3.261 124.495 121.223 0.018 0.000 2.056 394 L HA 0.096 4.446 4.340 0.017 0.000 0.207 394 L C 1.192 178.077 176.870 0.026 0.000 1.078 394 L CA 1.509 56.353 54.840 0.006 0.000 0.749 394 L CB -0.076 41.966 42.059 -0.028 0.000 0.901 394 L HN 0.827 nan 8.230 nan 0.000 0.433 395 C N -1.322 118.012 119.300 0.057 0.000 3.284 395 C HA 0.459 4.930 4.460 0.017 0.000 0.338 395 C C -1.319 173.817 174.990 0.244 0.000 1.237 395 C CA -0.646 58.462 59.018 0.150 0.000 1.276 395 C CB 1.808 29.686 27.740 0.230 0.000 1.601 395 C HN 0.426 nan 8.230 nan 0.000 0.494 396 Q N 3.646 123.586 119.800 0.233 0.000 2.359 396 Q HA 0.747 5.097 4.340 0.017 0.000 0.274 396 Q C -1.555 174.496 176.000 0.085 0.000 1.074 396 Q CA -0.605 55.325 55.803 0.211 0.000 0.810 396 Q CB 1.746 30.549 28.738 0.108 0.000 1.342 396 Q HN 0.786 nan 8.270 nan 0.000 0.427 397 R N 2.598 123.115 120.500 0.027 0.000 2.522 397 R HA 0.440 4.791 4.340 0.017 0.000 0.283 397 R C -1.262 174.975 176.300 -0.105 0.000 1.074 397 R CA -0.545 55.456 56.100 -0.166 0.000 0.925 397 R CB 2.007 31.998 30.300 -0.516 0.000 1.205 397 R HN 0.747 nan 8.270 nan 0.000 0.436 398 R N 0.604 121.026 120.500 -0.131 0.000 2.474 398 R HA 0.390 4.740 4.340 0.017 0.000 0.295 398 R C 0.552 176.734 176.300 -0.196 0.000 0.980 398 R CA -0.768 55.257 56.100 -0.124 0.000 0.934 398 R CB 1.300 31.459 30.300 -0.235 0.000 1.101 398 R HN 0.632 nan 8.270 nan 0.000 0.469 399 T N -0.965 113.442 114.554 -0.246 0.000 2.766 399 T HA 0.085 4.446 4.350 0.017 0.000 0.295 399 T C 0.734 175.326 174.700 -0.181 0.000 1.024 399 T CA -0.834 61.047 62.100 -0.365 0.000 1.018 399 T CB 0.737 68.996 68.868 -1.015 0.000 1.002 399 T HN 0.633 nan 8.240 nan 0.000 0.532 400 S N 1.198 116.891 115.700 -0.012 0.000 2.573 400 S HA 0.338 4.819 4.470 0.017 0.000 0.277 400 S C -2.564 172.237 174.600 0.335 0.000 1.346 400 S CA -1.111 57.175 58.200 0.143 0.000 1.034 400 S CB -0.508 62.830 63.200 0.231 0.000 0.879 400 S HN 0.698 nan 8.310 nan 0.000 0.528 401 P HA 0.471 nan 4.420 nan 0.000 0.274 401 P C -0.585 176.898 177.300 0.305 0.000 1.231 401 P CA -0.526 62.767 63.100 0.322 0.000 0.790 401 P CB 0.459 32.267 31.700 0.180 0.000 0.951 402 K N 1.168 121.733 120.400 0.276 0.000 2.579 402 K HA 0.434 4.764 4.320 0.017 0.000 0.284 402 K C -2.893 173.752 176.600 0.074 0.000 0.990 402 K CA -2.080 54.251 56.287 0.074 0.000 0.880 402 K CB 1.699 34.077 32.500 -0.203 0.000 1.488 402 K HN 0.176 nan 8.250 nan 0.000 0.425 403 P HA 0.015 nan 4.420 nan 0.000 0.268 403 P C -0.856 176.531 177.300 0.145 0.000 1.205 403 P CA -0.195 62.950 63.100 0.075 0.000 0.771 403 P CB 0.223 31.938 31.700 0.024 0.000 0.858 404 F N 4.398 124.354 119.950 0.010 0.000 2.462 404 F HA 0.222 4.760 4.527 0.018 0.000 0.354 404 F C 0.157 175.951 175.800 -0.011 0.000 1.192 404 F CA -0.697 57.310 58.000 0.012 0.000 1.173 404 F CB -0.991 38.040 39.000 0.050 0.000 1.402 404 F HN 0.163 nan 8.300 nan 0.000 0.595 405 T N 1.676 116.307 114.554 0.128 0.000 2.936 405 T HA 0.266 4.627 4.350 0.017 0.000 0.282 405 T C 1.190 175.845 174.700 -0.075 0.000 1.003 405 T CA -0.680 61.384 62.100 -0.060 0.000 1.005 405 T CB 1.265 70.108 68.868 -0.042 0.000 1.097 405 T HN 0.503 nan 8.240 nan 0.000 0.532 406 E N 0.285 120.409 120.200 -0.127 0.000 2.219 406 E HA -0.191 4.170 4.350 0.017 0.000 0.198 406 E C 0.538 177.125 176.600 -0.022 0.000 0.998 406 E CA 1.150 57.496 56.400 -0.089 0.000 0.818 406 E CB 0.104 29.753 29.700 -0.085 0.000 0.741 406 E HN 0.820 nan 8.360 nan 0.000 0.477 407 E N 0.732 120.919 120.200 -0.022 0.000 2.265 407 E HA 0.356 4.716 4.350 0.017 0.000 0.262 407 E C -1.696 174.872 176.600 -0.053 0.000 0.889 407 E CA -0.433 55.952 56.400 -0.025 0.000 0.789 407 E CB 2.011 31.688 29.700 -0.039 0.000 1.221 407 E HN -0.121 nan 8.360 nan 0.000 0.414 408 V N 5.355 125.228 119.914 -0.068 0.000 2.540 408 V HA 0.548 4.678 4.120 0.017 0.000 0.302 408 V C -0.263 175.671 176.094 -0.267 0.000 1.035 408 V CA -0.742 61.421 62.300 -0.229 0.000 0.873 408 V CB 1.565 33.195 31.823 -0.322 0.000 0.992 408 V HN 0.601 nan 8.190 nan 0.000 0.428 409 L N 2.648 123.654 121.223 -0.363 0.000 2.354 409 L HA 0.579 4.930 4.340 0.017 0.000 0.264 409 L C 0.041 176.719 176.870 -0.320 0.000 1.008 409 L CA -0.252 54.466 54.840 -0.203 0.000 0.819 409 L CB 2.821 44.814 42.059 -0.110 0.000 1.339 409 L HN 0.644 nan 8.230 nan 0.000 0.420 410 W N -0.159 121.116 121.300 -0.042 0.000 4.011 410 W HA 0.095 4.767 4.660 0.018 0.000 0.213 410 W C 0.750 177.226 176.519 -0.071 0.000 1.060 410 W CA 0.162 57.481 57.345 -0.044 0.000 1.775 410 W CB 0.311 29.748 29.460 -0.037 0.000 0.793 410 W HN 0.770 nan 8.180 nan 0.000 0.863 411 N N 0.923 119.698 118.700 0.125 0.000 2.735 411 N HA -0.171 4.579 4.740 0.017 0.000 0.248 411 N C -1.028 174.426 175.510 -0.094 0.000 1.083 411 N CA 0.869 53.898 53.050 -0.035 0.000 0.703 411 N CB -1.360 37.100 38.487 -0.045 0.000 1.005 411 N HN -0.164 nan 8.380 nan 0.000 0.550 412 V N -0.314 119.560 119.914 -0.067 0.000 2.435 412 V HA 0.498 4.629 4.120 0.017 0.000 0.290 412 V C 0.894 176.877 176.094 -0.185 0.000 1.030 412 V CA -1.082 61.174 62.300 -0.074 0.000 0.881 412 V CB 0.823 32.648 31.823 0.003 0.000 0.983 412 V HN 0.201 nan 8.190 nan 0.000 0.445 413 W N 3.576 124.862 121.300 -0.023 0.000 2.158 413 W HA 0.505 5.175 4.660 0.017 0.000 0.339 413 W C -0.017 176.446 176.519 -0.093 0.000 1.294 413 W CA -0.282 57.030 57.345 -0.055 0.000 1.231 413 W CB 0.474 29.901 29.460 -0.055 0.000 1.143 413 W HN 0.383 nan 8.180 nan 0.000 0.571 414 L N 3.019 124.339 121.223 0.162 0.000 2.345 414 L HA 0.235 4.585 4.340 0.017 0.000 0.274 414 L C -0.274 176.507 176.870 -0.150 0.000 0.999 414 L CA -0.873 53.918 54.840 -0.082 0.000 0.849 414 L CB 1.383 43.330 42.059 -0.187 0.000 1.220 414 L HN 0.383 nan 8.230 nan 0.000 0.422 415 E N 2.636 122.740 120.200 -0.161 0.000 2.259 415 E HA 0.394 4.755 4.350 0.017 0.000 0.281 415 E C -1.211 175.253 176.600 -0.226 0.000 1.027 415 E CA -0.175 56.163 56.400 -0.103 0.000 0.838 415 E CB 0.798 30.464 29.700 -0.058 0.000 1.066 415 E HN 0.183 nan 8.360 nan 0.000 0.401 416 F N 1.814 121.815 119.950 0.084 0.000 2.440 416 F HA 0.164 4.701 4.527 0.017 0.000 0.328 416 F C 1.774 177.615 175.800 0.067 0.000 1.070 416 F CA -0.153 57.911 58.000 0.106 0.000 1.011 416 F CB 1.607 40.733 39.000 0.210 0.000 1.226 416 F HN 0.642 nan 8.300 nan 0.000 0.491 417 S N 0.556 116.394 115.700 0.230 0.000 2.447 417 S HA -0.047 4.433 4.470 0.017 0.000 0.233 417 S C 0.498 175.173 174.600 0.124 0.000 1.006 417 S CA 0.492 58.769 58.200 0.128 0.000 0.957 417 S CB -0.900 62.351 63.200 0.085 0.000 0.773 417 S HN 0.389 nan 8.310 nan 0.000 0.507 418 I N 2.025 122.696 120.570 0.167 0.000 2.581 418 I HA 0.261 4.441 4.170 0.017 0.000 0.288 418 I C 0.498 176.683 176.117 0.113 0.000 1.047 418 I CA -0.466 60.890 61.300 0.094 0.000 1.374 418 I CB 0.590 38.609 38.000 0.031 0.000 1.423 418 I HN -0.036 nan 8.210 nan 0.000 0.549 419 K N 4.378 124.816 120.400 0.062 0.000 2.098 419 K HA 0.360 4.691 4.320 0.017 0.000 0.257 419 K C 0.835 177.475 176.600 0.067 0.000 0.999 419 K CA -0.796 55.531 56.287 0.066 0.000 0.924 419 K CB 1.345 33.865 32.500 0.033 0.000 1.028 419 K HN 0.472 nan 8.250 nan 0.000 0.466 420 I N 1.295 121.919 120.570 0.089 0.000 2.315 420 I HA -0.185 3.995 4.170 0.017 0.000 0.248 420 I C 1.843 177.987 176.117 0.044 0.000 1.117 420 I CA 1.376 62.734 61.300 0.096 0.000 1.404 420 I CB -0.509 37.559 38.000 0.113 0.000 1.071 420 I HN 0.545 nan 8.210 nan 0.000 0.419 421 K N 0.934 121.354 120.400 0.033 0.000 2.515 421 K HA -0.103 4.227 4.320 0.017 0.000 0.196 421 K C 1.235 177.834 176.600 -0.001 0.000 1.038 421 K CA 0.789 57.088 56.287 0.020 0.000 0.967 421 K CB -0.226 32.284 32.500 0.017 0.000 0.780 421 K HN 0.236 nan 8.250 nan 0.000 0.483 422 D N -0.516 119.875 120.400 -0.014 0.000 2.360 422 D HA 0.046 4.697 4.640 0.017 0.000 0.210 422 D C -0.155 176.109 176.300 -0.060 0.000 1.047 422 D CA 0.033 54.009 54.000 -0.040 0.000 0.854 422 D CB 0.329 41.103 40.800 -0.042 0.000 0.936 422 D HN 0.123 nan 8.370 nan 0.000 0.514 423 L N 3.633 124.819 121.223 -0.062 0.000 2.477 423 L HA 0.139 4.489 4.340 0.017 0.000 0.272 423 L C -1.881 174.961 176.870 -0.047 0.000 1.157 423 L CA -1.114 53.668 54.840 -0.096 0.000 0.889 423 L CB 0.148 42.121 42.059 -0.143 0.000 1.158 423 L HN -0.168 nan 8.230 nan 0.000 0.473 424 P HA 0.109 nan 4.420 nan 0.000 0.281 424 P C -0.853 176.501 177.300 0.090 0.000 1.249 424 P CA -0.774 62.331 63.100 0.009 0.000 0.810 424 P CB 0.925 32.551 31.700 -0.122 0.000 1.008 425 K N 0.726 121.215 120.400 0.148 0.000 2.489 425 K HA 0.218 4.548 4.320 0.017 0.000 0.278 425 K C 1.088 177.816 176.600 0.213 0.000 1.000 425 K CA 1.110 57.499 56.287 0.170 0.000 1.012 425 K CB -0.600 31.996 32.500 0.160 0.000 0.903 425 K HN 0.825 nan 8.250 nan 0.000 0.485 426 G N 1.794 110.702 108.800 0.179 0.000 2.176 426 G HA2 -0.280 3.690 3.960 0.017 0.000 0.253 426 G HA3 -0.280 3.690 3.960 0.017 0.000 0.253 426 G C 0.083 174.936 174.900 -0.077 0.000 0.979 426 G CA 0.084 45.177 45.100 -0.012 0.000 0.641 426 G HN 0.899 nan 8.290 nan 0.000 0.530 427 A N 0.237 123.080 122.820 0.039 0.000 2.477 427 A HA 0.644 4.975 4.320 0.017 0.000 0.246 427 A C 0.541 178.048 177.584 -0.129 0.000 1.078 427 A CA 0.262 52.290 52.037 -0.015 0.000 0.770 427 A CB 0.272 19.243 19.000 -0.049 0.000 1.011 427 A HN 0.880 nan 8.150 nan 0.000 0.494 428 L N 2.508 123.648 121.223 -0.138 0.000 2.309 428 L HA 0.345 4.695 4.340 0.017 0.000 0.282 428 L C -0.134 176.643 176.870 -0.154 0.000 1.036 428 L CA -0.890 53.867 54.840 -0.139 0.000 0.806 428 L CB 1.447 43.445 42.059 -0.102 0.000 1.220 428 L HN 0.702 nan 8.230 nan 0.000 0.429 429 L N 4.615 125.745 121.223 -0.155 0.000 2.369 429 L HA 0.199 4.550 4.340 0.017 0.000 0.279 429 L C 0.117 176.970 176.870 -0.029 0.000 1.108 429 L CA 0.550 55.321 54.840 -0.115 0.000 0.852 429 L CB 0.190 42.207 42.059 -0.070 0.000 1.169 429 L HN 0.608 nan 8.230 nan 0.000 0.452 430 N N 6.560 125.264 118.700 0.007 0.000 2.501 430 N HA 0.283 5.034 4.740 0.017 0.000 0.245 430 N C -1.471 174.099 175.510 0.099 0.000 0.974 430 N CA -0.560 52.525 53.050 0.058 0.000 0.941 430 N CB 0.692 39.208 38.487 0.048 0.000 1.122 430 N HN 0.646 nan 8.380 nan 0.000 0.507 431 L N 2.856 124.144 121.223 0.108 0.000 2.282 431 L HA 0.428 4.778 4.340 0.017 0.000 0.288 431 L C 0.082 177.028 176.870 0.125 0.000 1.033 431 L CA -0.528 54.375 54.840 0.106 0.000 0.807 431 L CB 1.542 43.642 42.059 0.069 0.000 1.209 431 L HN 0.427 nan 8.230 nan 0.000 0.423 432 Q N 3.775 123.644 119.800 0.116 0.000 2.456 432 Q HA 0.659 5.010 4.340 0.017 0.000 0.283 432 Q C -1.302 174.713 176.000 0.024 0.000 1.084 432 Q CA -0.825 55.028 55.803 0.084 0.000 0.801 432 Q CB 3.578 32.373 28.738 0.095 0.000 1.434 432 Q HN 0.515 nan 8.270 nan 0.000 0.419 433 I N 1.635 122.146 120.570 -0.099 0.000 2.478 433 I HA 0.364 4.544 4.170 0.017 0.000 0.287 433 I C -1.495 174.411 176.117 -0.351 0.000 1.042 433 I CA -0.557 60.650 61.300 -0.155 0.000 1.067 433 I CB 1.333 39.297 38.000 -0.061 0.000 1.233 433 I HN 0.523 nan 8.210 nan 0.000 0.431 434 Y N 4.610 124.555 120.300 -0.592 0.000 2.377 434 Y HA 0.601 5.161 4.550 0.017 0.000 0.339 434 Y C -0.237 175.364 175.900 -0.498 0.000 1.011 434 Y CA -0.678 57.071 58.100 -0.585 0.000 1.093 434 Y CB 1.811 39.778 38.460 -0.822 0.000 1.201 434 Y HN 0.431 nan 8.280 nan 0.000 0.455 435 C N 1.873 121.110 119.300 -0.105 0.000 2.535 435 C HA 0.992 5.463 4.460 0.017 0.000 0.319 435 C C 0.349 175.384 174.990 0.074 0.000 1.171 435 C CA -0.918 58.095 59.018 -0.009 0.000 1.394 435 C CB 0.707 28.452 27.740 0.008 0.000 1.990 435 C HN 1.150 nan 8.230 nan 0.000 0.466 460 L N 2.561 123.644 121.223 -0.233 0.000 2.433 460 L HA 0.286 4.637 4.340 0.017 0.000 0.275 460 L C 0.547 177.208 176.870 -0.349 0.000 1.128 460 L CA 0.262 54.759 54.840 -0.572 0.000 0.875 460 L CB 0.680 42.400 42.059 -0.564 0.000 1.171 460 L HN 0.286 nan 8.230 nan 0.000 0.463 461 L N 4.967 125.973 121.223 -0.361 0.000 2.653 461 L HA 0.265 4.616 4.340 0.017 0.000 0.230 461 L C -0.620 175.809 176.870 -0.736 0.000 1.055 461 L CA -0.157 54.411 54.840 -0.453 0.000 0.880 461 L CB 0.212 42.070 42.059 -0.335 0.000 1.195 461 L HN 0.466 nan 8.230 nan 0.000 0.492 462 Y N -0.666 119.584 120.300 -0.084 0.000 2.534 462 Y HA 0.487 5.047 4.550 0.017 0.000 0.345 462 Y C -0.842 175.088 175.900 0.051 0.000 1.031 462 Y CA -1.350 56.732 58.100 -0.030 0.000 1.022 462 Y CB 1.732 40.148 38.460 -0.073 0.000 1.292 462 Y HN -0.013 nan 8.280 nan 0.000 0.459 463 Y N -0.415 119.988 120.300 0.173 0.000 2.544 463 Y HA 0.904 5.465 4.550 0.018 0.000 0.342 463 Y C -2.005 174.028 175.900 0.222 0.000 1.062 463 Y CA -1.383 56.798 58.100 0.135 0.000 1.023 463 Y CB 1.380 39.888 38.460 0.079 0.000 1.308 463 Y HN 0.574 nan 8.280 nan 0.000 0.457 464 V N 2.258 122.317 119.914 0.242 0.000 3.181 464 V HA 0.601 4.731 4.120 0.017 0.000 0.308 464 V C -1.662 174.559 176.094 0.212 0.000 1.214 464 V CA -0.958 61.471 62.300 0.214 0.000 1.053 464 V CB 2.691 34.542 31.823 0.047 0.000 1.069 464 V HN 0.978 nan 8.190 nan 0.000 0.441 465 N N 2.058 120.865 118.700 0.178 0.000 2.235 465 N HA 0.601 5.352 4.740 0.017 0.000 0.293 465 N C -1.865 173.672 175.510 0.046 0.000 1.083 465 N CA -0.363 52.749 53.050 0.103 0.000 0.801 465 N CB 2.522 41.071 38.487 0.104 0.000 1.559 465 N HN 0.458 nan 8.380 nan 0.000 0.472 466 L N 1.777 122.985 121.223 -0.026 0.000 2.381 466 L HA 0.518 4.868 4.340 0.017 0.000 0.274 466 L C -0.975 175.833 176.870 -0.103 0.000 0.988 466 L CA -0.541 54.248 54.840 -0.084 0.000 0.824 466 L CB 1.361 43.291 42.059 -0.214 0.000 1.263 466 L HN 0.453 nan 8.230 nan 0.000 0.410 467 L N 5.937 127.105 121.223 -0.091 0.000 2.477 467 L HA 0.075 4.425 4.340 0.017 0.000 0.272 467 L C 1.338 178.151 176.870 -0.095 0.000 1.157 467 L CA 0.172 54.938 54.840 -0.124 0.000 0.889 467 L CB 0.467 42.435 42.059 -0.150 0.000 1.158 467 L HN 0.763 nan 8.230 nan 0.000 0.473 468 L N 4.473 125.623 121.223 -0.121 0.000 2.027 468 L HA -0.033 4.318 4.340 0.017 0.000 0.206 468 L C 0.748 177.593 176.870 -0.041 0.000 1.074 468 L CA 1.210 55.977 54.840 -0.121 0.000 0.745 468 L CB 0.013 41.919 42.059 -0.254 0.000 0.898 468 L HN 0.518 nan 8.230 nan 0.000 0.433 469 I N 0.021 120.585 120.570 -0.010 0.000 2.412 469 I HA 0.145 4.326 4.170 0.017 0.000 0.296 469 I C -0.452 175.734 176.117 0.114 0.000 0.987 469 I CA -0.865 60.461 61.300 0.043 0.000 1.180 469 I CB 1.533 39.563 38.000 0.050 0.000 1.340 469 I HN 0.107 nan 8.210 nan 0.000 0.455 470 D N 3.434 123.864 120.400 0.051 0.000 2.567 470 D HA 0.107 4.758 4.640 0.017 0.000 0.275 470 D C 1.085 177.319 176.300 -0.110 0.000 1.195 470 D CA -0.170 53.885 54.000 0.092 0.000 1.087 470 D CB 0.220 41.017 40.800 -0.004 0.000 1.165 470 D HN 0.594 nan 8.370 nan 0.000 0.609 471 H N -0.986 117.997 119.070 -0.144 0.000 2.529 471 H HA 0.153 4.719 4.556 0.017 0.000 0.277 471 H C 0.626 175.721 175.328 -0.389 0.000 0.999 471 H CA 0.451 56.276 56.048 -0.372 0.000 1.256 471 H CB -0.155 29.500 29.762 -0.179 0.000 1.402 471 H HN 0.312 nan 8.280 nan 0.000 0.566 472 R N 0.057 120.229 120.500 -0.546 0.000 2.426 472 R HA 0.111 4.461 4.340 0.017 0.000 0.263 472 R C -0.407 176.015 176.300 0.204 0.000 0.961 472 R CA -0.237 55.776 56.100 -0.145 0.000 1.086 472 R CB -0.172 29.970 30.300 -0.262 0.000 1.186 472 R HN 0.086 nan 8.270 nan 0.000 0.537 473 F N -0.343 119.521 119.950 -0.143 0.000 2.988 473 F HA -0.248 4.289 4.527 0.017 0.000 0.287 473 F C -0.110 175.672 175.800 -0.029 0.000 0.781 473 F CA 0.228 58.191 58.000 -0.062 0.000 1.221 473 F CB -1.936 37.042 39.000 -0.036 0.000 1.392 473 F HN 0.052 nan 8.300 nan 0.000 0.425 474 L N 0.998 122.260 121.223 0.066 0.000 2.307 474 L HA 0.498 4.848 4.340 0.017 0.000 0.282 474 L C 0.464 177.360 176.870 0.043 0.000 1.051 474 L CA -1.177 53.698 54.840 0.059 0.000 0.804 474 L CB 1.256 43.327 42.059 0.020 0.000 1.197 474 L HN 0.032 nan 8.230 nan 0.000 0.431 475 L N 3.519 124.773 121.223 0.053 0.000 2.485 475 L HA 0.118 4.468 4.340 0.017 0.000 0.275 475 L C 0.447 177.347 176.870 0.050 0.000 1.207 475 L CA 0.426 55.297 54.840 0.051 0.000 0.855 475 L CB 0.344 42.438 42.059 0.059 0.000 1.114 475 L HN 0.524 nan 8.230 nan 0.000 0.485 476 R N 4.650 125.194 120.500 0.073 0.000 2.298 476 R HA 0.362 4.712 4.340 0.017 0.000 0.310 476 R C -0.619 175.772 176.300 0.153 0.000 1.068 476 R CA -0.256 55.903 56.100 0.099 0.000 0.957 476 R CB 0.351 30.676 30.300 0.041 0.000 1.003 476 R HN 0.724 nan 8.270 nan 0.000 0.454 477 R N 3.123 123.728 120.500 0.175 0.000 2.534 477 R HA 0.515 4.865 4.340 0.017 0.000 0.301 477 R C -0.720 175.685 176.300 0.174 0.000 0.961 477 R CA 0.278 56.464 56.100 0.143 0.000 0.871 477 R CB 1.775 32.093 30.300 0.029 0.000 1.170 477 R HN 0.932 nan 8.270 nan 0.000 0.446 478 G N 2.455 111.349 108.800 0.156 0.000 2.428 478 G HA2 -0.167 3.804 3.960 0.017 0.000 0.202 478 G HA3 -0.167 3.804 3.960 0.017 0.000 0.202 478 G C -1.331 173.524 174.900 -0.075 0.000 1.247 478 G CA -0.823 44.283 45.100 0.010 0.000 1.020 478 G HN 0.502 nan 8.290 nan 0.000 0.529 479 E N 0.114 120.131 120.200 -0.304 0.000 2.283 479 E HA 0.571 4.931 4.350 0.017 0.000 0.278 479 E C -1.133 175.054 176.600 -0.688 0.000 1.027 479 E CA 0.170 56.392 56.400 -0.296 0.000 0.843 479 E CB 1.294 30.873 29.700 -0.202 0.000 1.062 479 E HN 0.405 nan 8.360 nan 0.000 0.401 480 Y N -0.276 119.987 120.300 -0.061 0.000 2.457 480 Y HA 0.278 4.839 4.550 0.018 0.000 0.343 480 Y C -0.306 175.544 175.900 -0.084 0.000 0.994 480 Y CA -0.942 57.104 58.100 -0.090 0.000 1.031 480 Y CB 1.946 40.321 38.460 -0.141 0.000 1.246 480 Y HN 0.110 nan 8.280 nan 0.000 0.449 481 V N 5.350 125.289 119.914 0.041 0.000 2.304 481 V HA 0.384 4.515 4.120 0.017 0.000 0.278 481 V C -0.550 175.503 176.094 -0.068 0.000 1.018 481 V CA -0.672 61.599 62.300 -0.047 0.000 0.814 481 V CB 0.812 32.593 31.823 -0.070 0.000 1.021 481 V HN 0.564 nan 8.190 nan 0.000 0.440 482 L N 4.825 125.982 121.223 -0.110 0.000 2.282 482 L HA 0.566 4.917 4.340 0.017 0.000 0.288 482 L C 0.033 176.748 176.870 -0.258 0.000 1.033 482 L CA -0.572 54.214 54.840 -0.090 0.000 0.807 482 L CB 0.986 43.022 42.059 -0.038 0.000 1.209 482 L HN 0.539 nan 8.230 nan 0.000 0.423 483 H N 4.632 123.633 119.070 -0.116 0.000 2.562 483 H HA 0.434 5.000 4.556 0.017 0.000 0.314 483 H C -0.362 174.741 175.328 -0.374 0.000 1.079 483 H CA -0.133 55.787 56.048 -0.215 0.000 1.349 483 H CB 1.569 31.204 29.762 -0.212 0.000 1.432 483 H HN 0.480 nan 8.280 nan 0.000 0.479 484 M N 2.149 121.578 119.600 -0.284 0.000 2.598 484 M HA 0.248 4.739 4.480 0.017 0.000 0.317 484 M C -0.628 175.369 176.300 -0.504 0.000 1.201 484 M CA -0.764 54.316 55.300 -0.366 0.000 0.971 484 M CB 1.669 34.184 32.600 -0.141 0.000 1.657 484 M HN 0.418 nan 8.290 nan 0.000 0.470 485 W N 0.684 121.803 121.300 -0.302 0.000 2.381 485 W HA 0.464 5.135 4.660 0.018 0.000 0.329 485 W C 0.019 176.384 176.519 -0.257 0.000 1.157 485 W CA -0.350 56.787 57.345 -0.347 0.000 1.240 485 W CB 0.452 29.552 29.460 -0.600 0.000 1.199 485 W HN 0.466 nan 8.180 nan 0.000 0.579 486 Q N 2.102 121.980 119.800 0.130 0.000 2.230 486 Q HA 0.407 4.758 4.340 0.017 0.000 0.253 486 Q C -0.659 175.359 176.000 0.030 0.000 0.919 486 Q CA -0.946 54.820 55.803 -0.062 0.000 0.908 486 Q CB 1.362 30.073 28.738 -0.045 0.000 1.245 486 Q HN 0.499 nan 8.270 nan 0.000 0.437 487 I N 1.865 122.407 120.570 -0.046 0.000 2.882 487 I HA 0.018 4.199 4.170 0.017 0.000 0.286 487 I C 0.089 176.202 176.117 -0.006 0.000 1.139 487 I CA 0.796 62.120 61.300 0.039 0.000 1.379 487 I CB 1.384 39.365 38.000 -0.032 0.000 1.410 487 I HN 0.641 nan 8.210 nan 0.000 0.594 488 S N 3.811 119.523 115.700 0.021 0.000 2.525 488 S HA 0.927 5.408 4.470 0.017 0.000 0.290 488 S C -0.369 174.231 174.600 -0.000 0.000 1.152 488 S CA 0.239 58.447 58.200 0.014 0.000 1.072 488 S CB 1.220 64.438 63.200 0.029 0.000 1.027 488 S HN 1.127 nan 8.310 nan 0.000 0.500 498 N N 0.131 118.888 118.700 0.095 0.000 3.348 498 N HA 0.398 5.148 4.740 0.017 0.000 0.233 498 N C -0.155 175.372 175.510 0.028 0.000 1.440 498 N CA 0.054 53.126 53.050 0.036 0.000 0.887 498 N CB 0.700 39.182 38.487 -0.007 0.000 1.410 498 N HN 0.004 nan 8.380 nan 0.000 0.502 499 A N -0.145 122.703 122.820 0.046 0.000 2.016 499 A HA -0.007 4.324 4.320 0.017 0.000 0.217 499 A C 1.098 178.711 177.584 0.048 0.000 1.162 499 A CA 1.487 53.568 52.037 0.074 0.000 0.662 499 A CB -0.656 18.287 19.000 -0.095 0.000 0.812 499 A HN 0.690 nan 8.150 nan 0.000 0.450 500 D N 0.147 120.478 120.400 -0.114 0.000 2.182 500 D HA -0.128 4.522 4.640 0.017 0.000 0.201 500 D C 1.636 177.774 176.300 -0.270 0.000 0.986 500 D CA 1.177 54.942 54.000 -0.392 0.000 0.847 500 D CB -0.206 40.108 40.800 -0.810 0.000 0.942 500 D HN 0.432 nan 8.370 nan 0.000 0.467 501 K N -0.157 120.074 120.400 -0.280 0.000 2.515 501 K HA 0.037 4.367 4.320 0.017 0.000 0.196 501 K C 1.566 178.074 176.600 -0.154 0.000 1.038 501 K CA 0.267 56.262 56.287 -0.488 0.000 0.967 501 K CB 0.172 32.361 32.500 -0.519 0.000 0.780 501 K HN 0.182 nan 8.250 nan 0.000 0.483 502 L N -0.526 120.685 121.223 -0.020 0.000 2.590 502 L HA 0.057 4.407 4.340 0.017 0.000 0.227 502 L C 1.072 177.980 176.870 0.063 0.000 1.099 502 L CA -0.116 54.750 54.840 0.042 0.000 0.872 502 L CB 0.423 42.543 42.059 0.101 0.000 1.088 502 L HN -0.006 nan 8.230 nan 0.000 0.479 503 T N -0.560 114.008 114.554 0.023 0.000 2.918 503 T HA 0.029 4.389 4.350 0.017 0.000 0.302 503 T C 1.280 175.999 174.700 0.032 0.000 1.045 503 T CA 0.263 62.304 62.100 -0.097 0.000 1.114 503 T CB 1.083 69.639 68.868 -0.521 0.000 0.965 503 T HN 0.313 nan 8.240 nan 0.000 0.540 504 S N 2.584 118.288 115.700 0.005 0.000 2.548 504 S HA 0.393 4.874 4.470 0.017 0.000 0.215 504 S C 0.901 175.565 174.600 0.108 0.000 0.976 504 S CA -0.137 58.085 58.200 0.036 0.000 0.908 504 S CB 0.000 63.156 63.200 -0.074 0.000 0.781 504 S HN 0.913 nan 8.310 nan 0.000 0.519 505 A N 2.631 125.525 122.820 0.123 0.000 2.425 505 A HA 0.536 4.866 4.320 0.017 0.000 0.249 505 A C 0.713 178.505 177.584 0.346 0.000 1.084 505 A CA -0.165 51.988 52.037 0.194 0.000 0.781 505 A CB -0.032 19.064 19.000 0.160 0.000 1.019 505 A HN 0.546 nan 8.150 nan 0.000 0.490 506 T N 0.572 115.220 114.554 0.157 0.000 2.928 506 T HA 0.314 4.675 4.350 0.017 0.000 0.284 506 T C 0.237 174.668 174.700 -0.448 0.000 1.008 506 T CA -0.943 61.100 62.100 -0.095 0.000 1.057 506 T CB 0.597 69.456 68.868 -0.015 0.000 1.018 506 T HN 0.581 nan 8.240 nan 0.000 0.493 507 N N 3.373 121.363 118.700 -1.183 0.000 2.374 507 N HA 0.020 4.771 4.740 0.017 0.000 0.269 507 N C -1.147 174.087 175.510 -0.460 0.000 1.310 507 N CA -1.655 50.690 53.050 -1.175 0.000 0.877 507 N CB 0.879 38.756 38.487 -1.017 0.000 1.096 507 N HN 0.468 nan 8.380 nan 0.000 0.484 508 P HA -0.044 nan 4.420 nan 0.000 0.227 508 P C -0.016 177.175 177.300 -0.180 0.000 1.161 508 P CA 0.420 63.428 63.100 -0.153 0.000 0.788 508 P CB 0.222 31.904 31.700 -0.029 0.000 0.822 509 D N 1.304 121.592 120.400 -0.187 0.000 2.398 509 D HA -0.004 4.647 4.640 0.017 0.000 0.250 509 D C 0.855 177.004 176.300 -0.252 0.000 1.287 509 D CA 0.168 54.071 54.000 -0.161 0.000 0.992 509 D CB 0.091 40.829 40.800 -0.104 0.000 1.071 509 D HN 0.002 nan 8.370 nan 0.000 0.514 510 K N 2.118 122.328 120.400 -0.317 0.000 2.487 510 K HA -0.031 4.300 4.320 0.017 0.000 0.192 510 K C 1.182 177.606 176.600 -0.293 0.000 1.027 510 K CA 0.292 56.246 56.287 -0.556 0.000 1.054 510 K CB 0.621 32.799 32.500 -0.537 0.000 0.824 510 K HN 0.444 nan 8.250 nan 0.000 0.510 511 E N 0.387 120.493 120.200 -0.157 0.000 2.152 511 E HA 0.035 4.395 4.350 0.017 0.000 0.195 511 E C 1.405 177.980 176.600 -0.041 0.000 0.934 511 E CA 0.226 56.579 56.400 -0.078 0.000 0.869 511 E CB 0.432 30.095 29.700 -0.062 0.000 0.842 511 E HN 0.201 nan 8.360 nan 0.000 0.472 512 N N 0.741 119.419 118.700 -0.037 0.000 2.376 512 N HA -0.054 4.696 4.740 0.017 0.000 0.177 512 N C 0.703 176.218 175.510 0.008 0.000 1.024 512 N CA 0.542 53.587 53.050 -0.007 0.000 0.893 512 N CB 0.252 38.741 38.487 0.004 0.000 0.980 512 N HN 0.054 nan 8.380 nan 0.000 0.439 513 S N 0.727 116.423 115.700 -0.008 0.000 2.601 513 S HA 0.347 4.827 4.470 0.017 0.000 0.271 513 S C 0.153 174.769 174.600 0.026 0.000 1.305 513 S CA -0.781 57.426 58.200 0.011 0.000 1.022 513 S CB 1.479 64.651 63.200 -0.048 0.000 0.940 513 S HN 0.095 nan 8.310 nan 0.000 0.525 514 M N 3.353 122.911 119.600 -0.071 0.000 2.217 514 M HA 0.428 4.918 4.480 0.017 0.000 0.354 514 M C -0.379 175.806 176.300 -0.193 0.000 1.225 514 M CA 0.246 55.413 55.300 -0.221 0.000 1.137 514 M CB 0.584 32.777 32.600 -0.678 0.000 1.576 514 M HN 0.843 nan 8.290 nan 0.000 0.461 515 S N 4.913 120.482 115.700 -0.219 0.000 2.638 515 S HA 0.861 5.342 4.470 0.017 0.000 0.302 515 S C -0.771 173.705 174.600 -0.207 0.000 1.096 515 S CA -1.017 56.987 58.200 -0.327 0.000 0.953 515 S CB 1.578 64.419 63.200 -0.598 0.000 1.107 515 S HN 0.876 nan 8.310 nan 0.000 0.503 516 I N 0.422 120.881 120.570 -0.184 0.000 2.730 516 I HA 0.634 4.815 4.170 0.017 0.000 0.298 516 I C -1.246 174.826 176.117 -0.075 0.000 1.089 516 I CA -0.217 61.030 61.300 -0.089 0.000 1.041 516 I CB 2.262 40.229 38.000 -0.056 0.000 1.235 516 I HN 0.726 nan 8.210 nan 0.000 0.423 517 S N 7.346 123.028 115.700 -0.032 0.000 2.502 517 S HA 0.764 5.244 4.470 0.017 0.000 0.304 517 S C -0.714 173.885 174.600 -0.003 0.000 1.097 517 S CA -0.533 57.655 58.200 -0.020 0.000 1.045 517 S CB 1.298 64.480 63.200 -0.031 0.000 1.019 517 S HN 0.569 nan 8.310 nan 0.000 0.481 518 I N -0.008 120.578 120.570 0.026 0.000 3.095 518 I HA 0.831 5.011 4.170 0.017 0.000 0.310 518 I C -1.927 174.225 176.117 0.058 0.000 1.196 518 I CA -1.361 59.960 61.300 0.034 0.000 0.985 518 I CB 1.889 39.930 38.000 0.068 0.000 1.250 518 I HN 0.481 nan 8.210 nan 0.000 0.446 519 L N 4.594 125.829 121.223 0.021 0.000 2.441 519 L HA 0.591 4.941 4.340 0.017 0.000 0.270 519 L C -1.817 175.143 176.870 0.150 0.000 0.973 519 L CA -0.484 54.389 54.840 0.055 0.000 0.842 519 L CB 1.695 43.724 42.059 -0.049 0.000 1.239 519 L HN 0.523 nan 8.230 nan 0.000 0.406 520 L N 4.308 125.651 121.223 0.201 0.000 2.265 520 L HA 0.506 4.857 4.340 0.017 0.000 0.289 520 L C -0.637 176.331 176.870 0.162 0.000 1.033 520 L CA -0.129 54.819 54.840 0.180 0.000 0.814 520 L CB 0.907 43.090 42.059 0.206 0.000 1.203 520 L HN 0.612 nan 8.230 nan 0.000 0.423 521 D N 2.520 123.010 120.400 0.150 0.000 2.421 521 D HA 0.378 5.029 4.640 0.017 0.000 0.254 521 D C -0.346 175.946 176.300 -0.012 0.000 1.238 521 D CA -0.228 53.815 54.000 0.072 0.000 0.919 521 D CB 0.952 41.809 40.800 0.096 0.000 1.152 521 D HN 0.353 nan 8.370 nan 0.000 0.552 526 P HA 0.483 nan 4.420 nan 0.000 0.286 526 P C -0.684 176.677 177.300 0.101 0.000 1.293 526 P CA -0.116 63.057 63.100 0.122 0.000 0.770 526 P CB 1.376 33.118 31.700 0.070 0.000 1.206 527 I N -3.635 116.989 120.570 0.089 0.000 1.730 527 I HA 0.400 4.581 4.170 0.017 0.000 0.317 527 I C -1.948 174.207 176.117 0.063 0.000 2.991 527 I CA -0.479 60.858 61.300 0.062 0.000 0.997 527 I CB -0.139 37.899 38.000 0.064 0.000 2.337 527 I HN 0.544 nan 8.210 nan 0.000 0.686 545 A N 1.856 124.643 122.820 -0.054 0.000 2.354 545 A HA 0.417 4.748 4.320 0.017 0.000 0.269 545 A C -0.255 177.349 177.584 0.033 0.000 1.109 545 A CA -0.037 51.992 52.037 -0.014 0.000 0.800 545 A CB 0.652 19.643 19.000 -0.014 0.000 1.045 545 A HN 0.340 nan 8.150 nan 0.000 0.489 546 E N 1.782 121.999 120.200 0.028 0.000 2.360 546 E HA 0.279 4.639 4.350 0.017 0.000 0.269 546 E C 0.251 176.881 176.600 0.050 0.000 1.022 546 E CA 0.146 56.566 56.400 0.034 0.000 0.887 546 E CB 0.319 30.026 29.700 0.012 0.000 0.990 546 E HN 0.607 nan 8.360 nan 0.000 0.426 547 M N 4.717 124.331 119.600 0.024 0.000 2.219 547 M HA 0.126 4.616 4.480 0.017 0.000 0.307 547 M C -1.521 174.761 176.300 -0.030 0.000 1.116 547 M CA -1.162 54.118 55.300 -0.032 0.000 1.181 547 M CB 0.149 32.614 32.600 -0.224 0.000 1.410 547 M HN 0.593 nan 8.290 nan 0.000 0.454 548 P HA 0.205 nan 4.420 nan 0.000 0.329 548 P C -0.608 176.651 177.300 -0.068 0.000 1.319 548 P CA 0.008 63.091 63.100 -0.030 0.000 0.742 548 P CB 0.486 32.186 31.700 0.001 0.000 1.564 549 N N -1.983 116.686 118.700 -0.051 0.000 2.684 549 N HA -0.104 4.646 4.740 0.017 0.000 0.220 549 N C 1.669 177.143 175.510 -0.059 0.000 1.037 549 N CA 0.126 53.145 53.050 -0.052 0.000 0.975 549 N CB -0.252 38.216 38.487 -0.031 0.000 1.426 549 N HN 0.306 nan 8.380 nan 0.000 0.450 550 Q N 0.951 120.724 119.800 -0.045 0.000 2.291 550 Q HA -0.049 4.301 4.340 0.017 0.000 0.205 550 Q C 1.565 177.530 176.000 -0.057 0.000 0.970 550 Q CA 0.923 56.701 55.803 -0.042 0.000 0.876 550 Q CB -0.130 28.593 28.738 -0.024 0.000 0.935 550 Q HN 0.520 nan 8.270 nan 0.000 0.455 551 L N 0.753 121.927 121.223 -0.082 0.000 2.027 551 L HA -0.116 4.234 4.340 0.017 0.000 0.206 551 L C 3.005 179.765 176.870 -0.184 0.000 1.074 551 L CA 1.635 56.403 54.840 -0.121 0.000 0.745 551 L CB -0.616 41.345 42.059 -0.163 0.000 0.898 551 L HN 0.253 nan 8.230 nan 0.000 0.433 552 R N 0.953 121.326 120.500 -0.212 0.000 2.103 552 R HA -0.220 4.130 4.340 0.017 0.000 0.242 552 R C 2.197 178.424 176.300 -0.122 0.000 1.142 552 R CA 1.677 57.667 56.100 -0.183 0.000 0.960 552 R CB -0.232 29.981 30.300 -0.144 0.000 0.858 552 R HN 0.232 nan 8.270 nan 0.000 0.439 553 K N 0.260 120.606 120.400 -0.090 0.000 2.063 553 K HA -0.210 4.121 4.320 0.017 0.000 0.208 553 K C 2.359 178.922 176.600 -0.062 0.000 1.048 553 K CA 2.237 58.484 56.287 -0.066 0.000 0.928 553 K CB -0.076 32.396 32.500 -0.047 0.000 0.713 553 K HN 0.443 nan 8.250 nan 0.000 0.442 554 Q N 0.297 120.061 119.800 -0.060 0.000 2.050 554 Q HA -0.171 4.180 4.340 0.017 0.000 0.202 554 Q C 2.145 178.116 176.000 -0.048 0.000 0.980 554 Q CA 1.100 56.879 55.803 -0.041 0.000 0.840 554 Q CB -0.115 28.610 28.738 -0.022 0.000 0.898 554 Q HN 0.157 nan 8.270 nan 0.000 0.424 555 L N 1.253 122.430 121.223 -0.076 0.000 1.994 555 L HA -0.188 4.163 4.340 0.017 0.000 0.208 555 L C 1.872 178.678 176.870 -0.107 0.000 1.071 555 L CA 1.900 56.692 54.840 -0.080 0.000 0.745 555 L CB -0.400 41.587 42.059 -0.121 0.000 0.892 555 L HN 0.145 nan 8.230 nan 0.000 0.431 556 E N -0.893 119.224 120.200 -0.137 0.000 2.160 556 E HA -0.217 4.143 4.350 0.017 0.000 0.195 556 E C 2.123 178.666 176.600 -0.096 0.000 0.991 556 E CA 1.102 57.410 56.400 -0.154 0.000 0.810 556 E CB -0.200 29.419 29.700 -0.134 0.000 0.742 556 E HN 0.658 nan 8.360 nan 0.000 0.466 557 A N 0.777 123.558 122.820 -0.066 0.000 1.855 557 A HA -0.159 4.172 4.320 0.017 0.000 0.215 557 A C 2.129 179.693 177.584 -0.033 0.000 1.191 557 A CA 1.009 53.020 52.037 -0.043 0.000 0.613 557 A CB -0.569 18.412 19.000 -0.032 0.000 0.829 557 A HN 0.162 nan 8.150 nan 0.000 0.442 558 I N -0.116 120.438 120.570 -0.028 0.000 2.145 558 I HA -0.328 3.853 4.170 0.017 0.000 0.244 558 I C 2.333 178.442 176.117 -0.013 0.000 1.075 558 I CA 1.654 62.947 61.300 -0.012 0.000 1.332 558 I CB -0.309 37.689 38.000 -0.003 0.000 1.033 558 I HN 0.336 nan 8.210 nan 0.000 0.410 559 I N 0.409 120.957 120.570 -0.037 0.000 2.226 559 I HA -0.265 3.915 4.170 0.017 0.000 0.245 559 I C 2.526 178.633 176.117 -0.017 0.000 1.100 559 I CA 1.323 62.604 61.300 -0.032 0.000 1.374 559 I CB -0.405 37.532 38.000 -0.104 0.000 1.057 559 I HN 0.186 nan 8.210 nan 0.000 0.413 560 A N -0.637 122.164 122.820 -0.033 0.000 2.209 560 A HA -0.023 4.307 4.320 0.017 0.000 0.212 560 A C 1.366 178.944 177.584 -0.011 0.000 1.158 560 A CA 0.724 52.748 52.037 -0.022 0.000 0.742 560 A CB -0.589 18.393 19.000 -0.031 0.000 0.790 560 A HN 0.321 nan 8.150 nan 0.000 0.472 561 T N 0.711 115.262 114.554 -0.005 0.000 2.899 561 T HA 0.388 4.749 4.350 0.017 0.000 0.284 561 T C 0.042 174.747 174.700 0.008 0.000 1.004 561 T CA -0.108 61.991 62.100 -0.002 0.000 1.043 561 T CB 0.544 69.412 68.868 -0.000 0.000 1.013 561 T HN 0.613 nan 8.240 nan 0.000 0.518 562 D N 2.540 122.942 120.400 0.003 0.000 2.377 562 D HA 0.266 4.916 4.640 0.017 0.000 0.245 562 D C -1.881 174.434 176.300 0.024 0.000 1.196 562 D CA -1.434 52.571 54.000 0.008 0.000 0.962 562 D CB 0.374 41.170 40.800 -0.007 0.000 1.127 562 D HN 0.146 nan 8.370 nan 0.000 0.471 563 P HA 0.028 nan 4.420 nan 0.000 0.234 563 P C 0.526 177.852 177.300 0.043 0.000 1.167 563 P CA 0.787 63.919 63.100 0.053 0.000 0.763 563 P CB 0.083 31.819 31.700 0.061 0.000 0.835 564 L N -2.159 119.080 121.223 0.026 0.000 2.728 564 L HA 0.240 4.591 4.340 0.017 0.000 0.238 564 L C 0.631 177.508 176.870 0.011 0.000 1.143 564 L CA -0.360 54.491 54.840 0.018 0.000 0.937 564 L CB -0.425 41.644 42.059 0.017 0.000 1.225 564 L HN -0.161 nan 8.230 nan 0.000 0.507 565 N N 2.035 120.743 118.700 0.014 0.000 2.420 565 N HA 0.162 4.913 4.740 0.017 0.000 0.262 565 N C -2.368 173.151 175.510 0.014 0.000 1.144 565 N CA -1.281 51.776 53.050 0.010 0.000 0.952 565 N CB 0.704 39.196 38.487 0.010 0.000 1.081 565 N HN -0.115 nan 8.380 nan 0.000 0.480 566 P HA 0.063 nan 4.420 nan 0.000 0.267 566 P C -0.515 176.794 177.300 0.014 0.000 1.205 566 P CA 0.073 63.179 63.100 0.010 0.000 0.765 566 P CB 0.479 32.184 31.700 0.008 0.000 0.828 567 L N 2.873 124.107 121.223 0.018 0.000 2.319 567 L HA 0.178 4.529 4.340 0.017 0.000 0.280 567 L C 1.097 177.977 176.870 0.017 0.000 1.099 567 L CA 0.021 54.874 54.840 0.022 0.000 0.828 567 L CB 0.455 42.533 42.059 0.031 0.000 1.150 567 L HN 0.355 nan 8.230 nan 0.000 0.442 568 T N 2.043 116.607 114.554 0.017 0.000 2.868 568 T HA 0.176 4.536 4.350 0.017 0.000 0.292 568 T C 1.236 175.944 174.700 0.014 0.000 1.028 568 T CA 0.182 62.290 62.100 0.013 0.000 1.059 568 T CB 1.686 70.562 68.868 0.013 0.000 0.991 568 T HN 0.764 nan 8.240 nan 0.000 0.531 569 A N 1.589 124.414 122.820 0.008 0.000 1.908 569 A HA -0.125 4.205 4.320 0.017 0.000 0.218 569 A C 2.170 179.761 177.584 0.011 0.000 1.181 569 A CA 1.821 53.860 52.037 0.003 0.000 0.627 569 A CB -0.654 18.344 19.000 -0.004 0.000 0.818 569 A HN 0.961 nan 8.150 nan 0.000 0.445 570 E N -0.244 119.964 120.200 0.014 0.000 2.070 570 E HA -0.267 4.093 4.350 0.017 0.000 0.197 570 E C 1.416 178.039 176.600 0.038 0.000 1.004 570 E CA 1.732 58.145 56.400 0.022 0.000 0.805 570 E CB -0.176 29.535 29.700 0.018 0.000 0.744 570 E HN 0.578 nan 8.360 nan 0.000 0.451 571 D N 0.219 120.640 120.400 0.036 0.000 2.097 571 D HA -0.120 4.531 4.640 0.017 0.000 0.197 571 D C 1.946 178.282 176.300 0.061 0.000 0.984 571 D CA 1.010 55.037 54.000 0.046 0.000 0.826 571 D CB -0.162 40.658 40.800 0.033 0.000 0.973 571 D HN 0.138 nan 8.370 nan 0.000 0.460 572 K N 0.637 121.066 120.400 0.050 0.000 2.020 572 K HA -0.169 4.161 4.320 0.017 0.000 0.212 572 K C 2.107 178.766 176.600 0.100 0.000 1.050 572 K CA 1.232 57.554 56.287 0.058 0.000 0.929 572 K CB -0.134 32.378 32.500 0.021 0.000 0.714 572 K HN 0.255 nan 8.250 nan 0.000 0.443 573 E N 0.784 121.035 120.200 0.085 0.000 2.110 573 E HA -0.158 4.203 4.350 0.017 0.000 0.193 573 E C 2.083 178.782 176.600 0.165 0.000 0.988 573 E CA 0.532 57.004 56.400 0.121 0.000 0.804 573 E CB -0.020 29.713 29.700 0.056 0.000 0.745 573 E HN 0.191 nan 8.360 nan 0.000 0.458 574 L N 0.841 122.153 121.223 0.149 0.000 1.970 574 L HA -0.216 4.134 4.340 0.017 0.000 0.212 574 L C 2.303 179.326 176.870 0.255 0.000 1.071 574 L CA 1.366 56.343 54.840 0.228 0.000 0.751 574 L CB -0.489 41.678 42.059 0.180 0.000 0.889 574 L HN 0.256 nan 8.230 nan 0.000 0.432 575 L N -0.942 120.381 121.223 0.166 0.000 2.043 575 L HA -0.314 4.037 4.340 0.017 0.000 0.212 575 L C 2.305 179.229 176.870 0.090 0.000 1.075 575 L CA 1.850 56.757 54.840 0.112 0.000 0.752 575 L CB -1.625 40.474 42.059 0.066 0.000 0.891 575 L HN 0.547 nan 8.230 nan 0.000 0.432 576 W N 0.045 121.321 121.300 -0.040 0.000 2.378 576 W HA -0.233 4.432 4.660 0.009 0.000 0.313 576 W C 2.713 179.182 176.519 -0.084 0.000 1.197 576 W CA 1.683 58.972 57.345 -0.093 0.000 1.304 576 W CB -0.562 28.839 29.460 -0.098 0.000 1.148 576 W HN 0.356 nan 8.180 nan 0.000 0.494 577 H N -0.595 118.349 119.070 -0.210 0.000 2.390 577 H HA -0.203 4.367 4.556 0.023 0.000 0.298 577 H C 0.445 175.419 175.328 -0.590 0.000 1.106 577 H CA 1.775 57.557 56.048 -0.443 0.000 1.297 577 H CB -0.757 28.733 29.762 -0.453 0.000 1.375 577 H HN 0.044 nan 8.280 nan 0.000 0.509 578 F N 1.762 121.617 119.950 -0.157 0.000 2.986 578 F HA 0.193 4.715 4.527 -0.008 0.000 0.297 578 F C 1.861 177.532 175.800 -0.214 0.000 1.210 578 F CA -0.582 57.318 58.000 -0.167 0.000 1.346 578 F CB 0.178 39.158 39.000 -0.034 0.000 1.007 578 F HN 0.133 nan 8.300 nan 0.000 0.512 579 R N -0.908 119.405 120.500 -0.312 0.000 2.083 579 R HA -0.225 4.125 4.340 0.017 0.000 0.237 579 R C 1.179 177.246 176.300 -0.389 0.000 1.137 579 R CA 1.811 57.630 56.100 -0.468 0.000 0.951 579 R CB -1.161 28.608 30.300 -0.886 0.000 0.851 579 R HN 0.313 nan 8.270 nan 0.000 0.434 580 Y N 1.502 121.688 120.300 -0.190 0.000 2.165 580 Y HA -0.243 4.316 4.550 0.015 0.000 0.286 580 Y C 2.719 178.606 175.900 -0.021 0.000 1.155 580 Y CA 1.876 59.916 58.100 -0.100 0.000 1.164 580 Y CB -0.283 38.118 38.460 -0.098 0.000 0.978 580 Y HN 0.243 nan 8.280 nan 0.000 0.513 581 E N -0.062 120.233 120.200 0.158 0.000 2.106 581 E HA -0.145 4.215 4.350 0.017 0.000 0.192 581 E C 2.208 178.911 176.600 0.173 0.000 0.984 581 E CA 1.593 58.079 56.400 0.144 0.000 0.806 581 E CB -0.305 29.464 29.700 0.115 0.000 0.750 581 E HN 0.216 nan 8.360 nan 0.000 0.458 582 S N -0.014 115.744 115.700 0.097 0.000 2.383 582 S HA -0.143 4.338 4.470 0.017 0.000 0.229 582 S C 1.642 176.300 174.600 0.097 0.000 1.030 582 S CA 0.993 59.243 58.200 0.083 0.000 1.002 582 S CB -0.350 62.812 63.200 -0.063 0.000 0.829 582 S HN 0.266 nan 8.310 nan 0.000 0.467 583 L N 1.613 122.829 121.223 -0.012 0.000 2.362 583 L HA 0.029 4.379 4.340 0.017 0.000 0.219 583 L C 1.732 178.759 176.870 0.261 0.000 1.134 583 L CA 1.491 56.354 54.840 0.038 0.000 0.807 583 L CB -0.351 41.681 42.059 -0.046 0.000 0.927 583 L HN 0.135 nan 8.230 nan 0.000 0.447 584 K N -1.302 119.184 120.400 0.144 0.000 2.504 584 K HA 0.014 4.344 4.320 0.017 0.000 0.195 584 K C -0.180 176.313 176.600 -0.178 0.000 1.036 584 K CA 0.382 56.656 56.287 -0.022 0.000 0.984 584 K CB -0.066 32.344 32.500 -0.151 0.000 0.788 584 K HN 0.396 nan 8.250 nan 0.000 0.488 585 H N 0.140 119.341 119.070 0.218 0.000 2.718 585 H HA 0.128 4.697 4.556 0.022 0.000 0.295 585 H C -2.153 173.344 175.328 0.281 0.000 1.051 585 H CA -2.138 54.016 56.048 0.178 0.000 1.260 585 H CB 1.575 31.411 29.762 0.123 0.000 1.403 585 H HN -0.105 nan 8.280 nan 0.000 0.488 586 P HA -0.154 nan 4.420 nan 0.000 0.218 586 P C 1.236 178.615 177.300 0.131 0.000 1.146 586 P CA 1.313 64.366 63.100 -0.079 0.000 0.813 586 P CB 0.378 31.968 31.700 -0.183 0.000 0.778 587 K N -0.840 119.668 120.400 0.180 0.000 2.439 587 K HA 0.070 4.400 4.320 0.017 0.000 0.197 587 K C 1.800 178.538 176.600 0.229 0.000 1.041 587 K CA 0.872 57.265 56.287 0.177 0.000 0.970 587 K CB -0.249 32.318 32.500 0.111 0.000 0.773 587 K HN 0.084 nan 8.250 nan 0.000 0.479 588 A N 0.025 123.040 122.820 0.324 0.000 2.218 588 A HA -0.030 4.301 4.320 0.017 0.000 0.209 588 A C 1.229 178.949 177.584 0.227 0.000 1.168 588 A CA 0.393 52.565 52.037 0.225 0.000 0.804 588 A CB -0.258 18.845 19.000 0.172 0.000 0.834 588 A HN 0.161 nan 8.150 nan 0.000 0.482 589 Y N 0.633 120.975 120.300 0.071 0.000 2.114 589 Y HA -0.084 4.477 4.550 0.018 0.000 0.284 589 Y C -0.248 175.698 175.900 0.077 0.000 1.143 589 Y CA 1.743 59.856 58.100 0.022 0.000 1.135 589 Y CB -1.778 36.744 38.460 0.104 0.000 0.980 589 Y HN 0.265 nan 8.280 nan 0.000 0.499 590 P HA -0.193 nan 4.420 nan 0.000 0.215 590 P C 1.216 178.747 177.300 0.385 0.000 1.157 590 P CA 2.397 65.675 63.100 0.296 0.000 0.874 590 P CB -0.024 31.825 31.700 0.248 0.000 0.790 591 K N -1.194 119.333 120.400 0.212 0.000 2.062 591 K HA -0.073 4.257 4.320 0.017 0.000 0.205 591 K C 2.024 178.673 176.600 0.082 0.000 1.051 591 K CA 0.798 57.173 56.287 0.148 0.000 0.941 591 K CB -0.973 31.582 32.500 0.093 0.000 0.719 591 K HN 0.035 nan 8.250 nan 0.000 0.440 592 L N 1.002 122.191 121.223 -0.057 0.000 1.990 592 L HA -0.156 4.194 4.340 0.017 0.000 0.213 592 L C 1.862 178.583 176.870 -0.248 0.000 1.072 592 L CA 1.801 56.480 54.840 -0.268 0.000 0.755 592 L CB -0.551 41.121 42.059 -0.646 0.000 0.889 592 L HN 0.073 nan 8.230 nan 0.000 0.432 593 F N -1.236 118.853 119.950 0.233 0.000 2.558 593 F HA -0.027 4.514 4.527 0.024 0.000 0.298 593 F C 2.467 178.597 175.800 0.550 0.000 1.119 593 F CA 0.750 58.997 58.000 0.412 0.000 1.451 593 F CB -0.469 38.808 39.000 0.461 0.000 1.091 593 F HN 0.278 nan 8.300 nan 0.000 0.563 594 S N -1.338 114.678 115.700 0.527 0.000 2.634 594 S HA 0.034 4.515 4.470 0.017 0.000 0.221 594 S C 1.197 175.889 174.600 0.153 0.000 0.952 594 S CA 0.161 58.538 58.200 0.294 0.000 0.930 594 S CB -0.327 62.959 63.200 0.144 0.000 0.780 594 S HN 0.101 nan 8.310 nan 0.000 0.498 595 S N 0.819 116.586 115.700 0.111 0.000 2.568 595 S HA 0.332 4.813 4.470 0.017 0.000 0.232 595 S C 0.063 174.571 174.600 -0.154 0.000 0.975 595 S CA -0.372 57.839 58.200 0.019 0.000 0.949 595 S CB 0.590 63.836 63.200 0.077 0.000 0.829 595 S HN 0.378 nan 8.310 nan 0.000 0.479 596 V N 2.603 122.355 119.914 -0.270 0.000 2.509 596 V HA 0.236 4.367 4.120 0.017 0.000 0.284 596 V C 0.155 175.776 176.094 -0.789 0.000 1.047 596 V CA -0.595 61.235 62.300 -0.785 0.000 0.952 596 V CB 1.311 32.437 31.823 -1.161 0.000 0.988 596 V HN 0.199 nan 8.190 nan 0.000 0.469 597 K N 4.481 124.395 120.400 -0.810 0.000 2.171 597 K HA 0.118 4.448 4.320 0.017 0.000 0.274 597 K C 0.141 176.413 176.600 -0.547 0.000 1.110 597 K CA 0.131 56.101 56.287 -0.529 0.000 0.952 597 K CB 0.229 32.465 32.500 -0.440 0.000 1.309 597 K HN 0.678 nan 8.250 nan 0.000 0.414 598 W N 1.108 122.243 121.300 -0.275 0.000 2.525 598 W HA -0.052 4.619 4.660 0.020 0.000 0.259 598 W C 1.815 178.115 176.519 -0.366 0.000 1.253 598 W CA 0.186 57.302 57.345 -0.381 0.000 1.262 598 W CB 0.260 29.346 29.460 -0.623 0.000 1.122 598 W HN 0.647 nan 8.180 nan 0.000 0.607 599 G N -0.262 108.469 108.800 -0.115 0.000 3.262 599 G HA2 0.050 4.020 3.960 0.017 0.000 0.228 599 G HA3 0.050 4.020 3.960 0.017 0.000 0.228 599 G C 0.198 175.025 174.900 -0.121 0.000 1.197 599 G CA -0.188 44.845 45.100 -0.111 0.000 0.819 599 G HN 0.134 nan 8.290 nan 0.000 0.531 600 Q N -0.306 119.396 119.800 -0.162 0.000 2.294 600 Q HA 0.149 4.500 4.340 0.017 0.000 0.264 600 Q C 0.766 176.672 176.000 -0.158 0.000 0.992 600 Q CA -0.475 55.236 55.803 -0.154 0.000 0.747 600 Q CB 1.919 30.541 28.738 -0.193 0.000 1.262 600 Q HN 0.349 nan 8.270 nan 0.000 0.452 601 Q N 2.468 122.202 119.800 -0.111 0.000 2.124 601 Q HA -0.212 4.139 4.340 0.017 0.000 0.202 601 Q C 0.724 176.654 176.000 -0.117 0.000 0.977 601 Q CA 2.195 57.935 55.803 -0.105 0.000 0.850 601 Q CB 0.259 28.960 28.738 -0.061 0.000 0.901 601 Q HN 0.627 nan 8.270 nan 0.000 0.429 602 E N 0.196 120.340 120.200 -0.093 0.000 2.208 602 E HA -0.080 4.280 4.350 0.017 0.000 0.193 602 E C 1.996 178.555 176.600 -0.069 0.000 0.988 602 E CA 0.984 57.346 56.400 -0.062 0.000 0.828 602 E CB -0.037 29.643 29.700 -0.034 0.000 0.763 602 E HN 0.511 nan 8.360 nan 0.000 0.478 603 I N 0.821 121.305 120.570 -0.143 0.000 2.584 603 I HA -0.149 4.031 4.170 0.017 0.000 0.255 603 I C 2.309 178.267 176.117 -0.266 0.000 1.145 603 I CA 0.459 61.638 61.300 -0.201 0.000 1.462 603 I CB -0.009 37.741 38.000 -0.418 0.000 1.102 603 I HN -0.033 nan 8.210 nan 0.000 0.433 604 V N 1.428 121.145 119.914 -0.328 0.000 2.407 604 V HA -0.280 3.851 4.120 0.017 0.000 0.248 604 V C 2.736 178.576 176.094 -0.423 0.000 1.055 604 V CA 2.046 64.098 62.300 -0.413 0.000 1.049 604 V CB -0.841 30.780 31.823 -0.336 0.000 0.662 604 V HN 0.468 nan 8.190 nan 0.000 0.455 605 A N -0.653 122.014 122.820 -0.256 0.000 1.929 605 A HA -0.184 4.146 4.320 0.017 0.000 0.216 605 A C 2.290 179.886 177.584 0.020 0.000 1.176 605 A CA 1.635 53.589 52.037 -0.137 0.000 0.628 605 A CB -0.373 18.595 19.000 -0.055 0.000 0.816 605 A HN 0.510 nan 8.150 nan 0.000 0.444 606 K N -0.726 119.708 120.400 0.058 0.000 2.097 606 K HA -0.086 4.244 4.320 0.017 0.000 0.206 606 K C 1.989 178.699 176.600 0.183 0.000 1.049 606 K CA 1.677 58.050 56.287 0.144 0.000 0.933 606 K CB -0.275 32.365 32.500 0.235 0.000 0.717 606 K HN 0.485 nan 8.250 nan 0.000 0.442 607 T N 0.302 114.995 114.554 0.232 0.000 2.821 607 T HA -0.128 4.232 4.350 0.017 0.000 0.267 607 T C 1.592 176.521 174.700 0.381 0.000 1.046 607 T CA 1.105 63.389 62.100 0.307 0.000 1.139 607 T CB -0.295 68.692 68.868 0.199 0.000 0.871 607 T HN 0.312 nan 8.240 nan 0.000 0.454 608 Y N 1.525 121.890 120.300 0.107 0.000 2.242 608 Y HA -0.131 4.429 4.550 0.017 0.000 0.291 608 Y C 2.931 178.870 175.900 0.066 0.000 1.137 608 Y CA 0.426 58.576 58.100 0.083 0.000 1.181 608 Y CB -0.148 38.363 38.460 0.086 0.000 0.989 608 Y HN 0.280 nan 8.280 nan 0.000 0.527 609 Q N 0.018 119.957 119.800 0.231 0.000 2.224 609 Q HA -0.176 4.175 4.340 0.017 0.000 0.203 609 Q C 2.291 178.366 176.000 0.126 0.000 0.970 609 Q CA 0.786 56.681 55.803 0.154 0.000 0.865 609 Q CB -0.005 28.815 28.738 0.136 0.000 0.922 609 Q HN 0.529 nan 8.270 nan 0.000 0.445 610 L N 0.509 121.784 121.223 0.088 0.000 1.976 610 L HA -0.197 4.154 4.340 0.017 0.000 0.209 610 L C 2.105 179.006 176.870 0.052 0.000 1.071 610 L CA 1.480 56.307 54.840 -0.022 0.000 0.746 610 L CB -0.301 41.700 42.059 -0.098 0.000 0.890 610 L HN 0.336 nan 8.230 nan 0.000 0.432 611 L N -0.596 120.679 121.223 0.087 0.000 2.362 611 L HA -0.120 4.230 4.340 0.017 0.000 0.219 611 L C 2.637 179.536 176.870 0.047 0.000 1.134 611 L CA 0.609 55.479 54.840 0.050 0.000 0.807 611 L CB -0.581 41.455 42.059 -0.038 0.000 0.927 611 L HN 0.266 nan 8.230 nan 0.000 0.447 612 A N 0.449 123.307 122.820 0.063 0.000 2.067 612 A HA -0.100 4.231 4.320 0.017 0.000 0.219 612 A C 1.553 179.184 177.584 0.079 0.000 1.158 612 A CA 0.827 52.900 52.037 0.060 0.000 0.661 612 A CB -0.234 18.807 19.000 0.068 0.000 0.801 612 A HN 0.395 nan 8.150 nan 0.000 0.452 613 R N 0.266 120.827 120.500 0.102 0.000 3.585 613 R HA 0.163 4.514 4.340 0.017 0.000 0.324 613 R C 0.218 176.605 176.300 0.146 0.000 1.372 613 R CA -0.093 56.078 56.100 0.119 0.000 1.291 613 R CB -0.297 30.090 30.300 0.144 0.000 1.470 613 R HN 0.633 nan 8.270 nan 0.000 0.633 614 R N 0.136 120.730 120.500 0.156 0.000 2.555 614 R HA 0.135 4.485 4.340 0.017 0.000 0.272 614 R C 0.140 176.593 176.300 0.254 0.000 1.089 614 R CA -0.056 56.188 56.100 0.239 0.000 1.126 614 R CB 0.072 30.511 30.300 0.232 0.000 1.250 614 R HN 0.236 nan 8.270 nan 0.000 0.551 615 E N 0.549 120.854 120.200 0.174 0.000 2.153 615 E HA -0.135 4.226 4.350 0.017 0.000 0.194 615 E C 1.593 178.265 176.600 0.119 0.000 0.988 615 E CA 1.342 57.819 56.400 0.128 0.000 0.811 615 E CB 0.107 29.857 29.700 0.085 0.000 0.746 615 E HN 0.225 nan 8.360 nan 0.000 0.466 616 V N 1.253 121.258 119.914 0.151 0.000 2.427 616 V HA -0.221 3.909 4.120 0.017 0.000 0.248 616 V C 1.984 178.137 176.094 0.099 0.000 1.051 616 V CA 1.451 63.818 62.300 0.111 0.000 1.048 616 V CB -0.647 31.258 31.823 0.137 0.000 0.666 616 V HN 0.530 nan 8.190 nan 0.000 0.456 617 W N 1.402 122.703 121.300 0.003 0.000 2.335 617 W HA -0.201 4.469 4.660 0.016 0.000 0.311 617 W C 1.906 178.382 176.519 -0.070 0.000 1.213 617 W CA 2.023 59.312 57.345 -0.094 0.000 1.274 617 W CB -0.204 29.252 29.460 -0.008 0.000 1.148 617 W HN 0.334 nan 8.180 nan 0.000 0.498 618 D N -0.099 120.337 120.400 0.060 0.000 2.312 618 D HA -0.132 4.519 4.640 0.017 0.000 0.211 618 D C 1.902 178.134 176.300 -0.115 0.000 0.964 618 D CA 1.252 55.232 54.000 -0.034 0.000 0.877 618 D CB -0.273 40.574 40.800 0.078 0.000 0.924 618 D HN 0.429 nan 8.370 nan 0.000 0.515 619 Q N -0.078 119.657 119.800 -0.110 0.000 2.378 619 Q HA 0.077 4.428 4.340 0.017 0.000 0.216 619 Q C 0.502 176.406 176.000 -0.160 0.000 0.892 619 Q CA -0.137 55.602 55.803 -0.107 0.000 0.931 619 Q CB 0.586 29.289 28.738 -0.058 0.000 1.086 619 Q HN 0.102 nan 8.270 nan 0.000 0.528 620 S N 0.527 116.080 115.700 -0.246 0.000 2.572 620 S HA 0.423 4.904 4.470 0.017 0.000 0.279 620 S C 0.307 174.738 174.600 -0.281 0.000 1.341 620 S CA -0.569 57.465 58.200 -0.276 0.000 1.043 620 S CB 1.080 64.044 63.200 -0.394 0.000 0.887 620 S HN 0.251 nan 8.310 nan 0.000 0.516 621 A N 2.333 125.027 122.820 -0.210 0.000 2.445 621 A HA 0.400 4.730 4.320 0.017 0.000 0.242 621 A C 0.274 177.717 177.584 -0.234 0.000 1.075 621 A CA -0.643 51.285 52.037 -0.181 0.000 0.777 621 A CB -0.201 18.725 19.000 -0.122 0.000 1.013 621 A HN 1.064 nan 8.150 nan 0.000 0.493 622 L N 1.776 122.878 121.223 -0.201 0.000 2.628 622 L HA 0.104 4.455 4.340 0.017 0.000 0.274 622 L C -0.197 176.571 176.870 -0.170 0.000 1.209 622 L CA 0.704 55.421 54.840 -0.206 0.000 0.930 622 L CB -0.065 41.911 42.059 -0.139 0.000 1.183 622 L HN 0.660 nan 8.230 nan 0.000 0.492 623 D N 4.080 124.364 120.400 -0.193 0.000 2.461 623 D HA 0.157 4.808 4.640 0.017 0.000 0.240 623 D C 0.808 177.031 176.300 -0.129 0.000 1.094 623 D CA -0.395 53.526 54.000 -0.130 0.000 0.868 623 D CB 1.345 42.071 40.800 -0.122 0.000 1.062 623 D HN 0.365 nan 8.370 nan 0.000 0.530 624 V N 3.713 123.537 119.914 -0.150 0.000 2.515 624 V HA -0.059 4.072 4.120 0.017 0.000 0.250 624 V C 2.417 178.400 176.094 -0.185 0.000 1.058 624 V CA 2.099 64.249 62.300 -0.250 0.000 1.064 624 V CB -0.415 31.112 31.823 -0.494 0.000 0.675 624 V HN 0.692 nan 8.190 nan 0.000 0.461 625 G N -0.536 108.204 108.800 -0.100 0.000 2.418 625 G HA2 -0.222 3.749 3.960 0.017 0.000 0.217 625 G HA3 -0.222 3.749 3.960 0.017 0.000 0.217 625 G C 1.626 176.519 174.900 -0.011 0.000 1.158 625 G CA 0.797 45.875 45.100 -0.037 0.000 0.771 625 G HN 0.434 nan 8.290 nan 0.000 0.545 626 L N 0.534 121.755 121.223 -0.003 0.000 2.042 626 L HA -0.122 4.229 4.340 0.017 0.000 0.210 626 L C 3.178 180.081 176.870 0.055 0.000 1.076 626 L CA 1.871 56.739 54.840 0.047 0.000 0.749 626 L CB -0.470 41.629 42.059 0.066 0.000 0.893 626 L HN 0.264 nan 8.230 nan 0.000 0.432 627 T N -0.788 113.776 114.554 0.018 0.000 2.777 627 T HA -0.163 4.198 4.350 0.017 0.000 0.266 627 T C 1.915 176.597 174.700 -0.029 0.000 1.040 627 T CA 1.033 63.142 62.100 0.016 0.000 1.141 627 T CB -0.090 68.752 68.868 -0.044 0.000 0.868 627 T HN 0.137 nan 8.240 nan 0.000 0.444 628 M N 1.659 121.234 119.600 -0.042 0.000 2.202 628 M HA -0.081 4.410 4.480 0.017 0.000 0.262 628 M C 2.256 178.557 176.300 0.002 0.000 1.063 628 M CA 1.358 56.649 55.300 -0.016 0.000 1.097 628 M CB -1.328 31.267 32.600 -0.009 0.000 1.382 628 M HN 0.377 nan 8.290 nan 0.000 0.413 629 Q N -0.030 119.773 119.800 0.005 0.000 2.124 629 Q HA -0.100 4.250 4.340 0.017 0.000 0.202 629 Q C 2.098 178.074 176.000 -0.040 0.000 0.977 629 Q CA 1.072 56.898 55.803 0.037 0.000 0.850 629 Q CB -0.274 28.505 28.738 0.068 0.000 0.901 629 Q HN 0.494 nan 8.270 nan 0.000 0.429 630 L N 0.119 121.206 121.223 -0.226 0.000 2.376 630 L HA -0.079 4.271 4.340 0.017 0.000 0.219 630 L C 1.585 178.333 176.870 -0.203 0.000 1.133 630 L CA 0.483 55.005 54.840 -0.531 0.000 0.816 630 L CB -0.007 41.800 42.059 -0.420 0.000 0.933 630 L HN 0.224 nan 8.230 nan 0.000 0.449 631 L N -0.296 120.898 121.223 -0.047 0.000 2.700 631 L HA 0.095 4.445 4.340 0.017 0.000 0.234 631 L C 0.650 177.570 176.870 0.083 0.000 1.156 631 L CA -0.444 54.418 54.840 0.038 0.000 0.946 631 L CB -0.285 41.803 42.059 0.048 0.000 1.216 631 L HN 0.281 nan 8.230 nan 0.000 0.493 632 D N -0.910 119.485 120.400 -0.008 0.000 2.511 632 D HA -0.019 4.631 4.640 0.017 0.000 0.276 632 D C 1.423 177.384 176.300 -0.565 0.000 1.220 632 D CA -0.351 53.401 54.000 -0.413 0.000 1.077 632 D CB 0.760 41.390 40.800 -0.284 0.000 1.126 632 D HN 0.114 nan 8.370 nan 0.000 0.583 633 C N -1.095 117.613 119.300 -0.988 0.000 2.437 633 C HA 0.109 4.579 4.460 0.017 0.000 0.283 633 C C 1.517 176.302 174.990 -0.342 0.000 1.424 633 C CA 0.078 58.751 59.018 -0.575 0.000 1.782 633 C CB -1.896 25.558 27.740 -0.477 0.000 1.833 633 C HN 0.517 nan 8.230 nan 0.000 0.532 634 N N -0.403 118.068 118.700 -0.381 0.000 2.461 634 N HA 0.201 4.952 4.740 0.017 0.000 0.188 634 N C -0.688 174.238 175.510 -0.974 0.000 1.134 634 N CA 0.462 53.142 53.050 -0.617 0.000 0.878 634 N CB -0.022 38.037 38.487 -0.713 0.000 0.972 634 N HN 0.567 nan 8.380 nan 0.000 0.456 635 F N -0.644 119.190 119.950 -0.193 0.000 2.496 635 F HA 0.362 4.899 4.527 0.015 0.000 0.341 635 F C 0.364 175.958 175.800 -0.342 0.000 1.134 635 F CA -0.919 56.936 58.000 -0.241 0.000 0.968 635 F CB 1.771 40.686 39.000 -0.142 0.000 1.205 635 F HN -0.168 nan 8.300 nan 0.000 0.436 636 S N 0.214 115.626 115.700 -0.480 0.000 2.568 636 S HA 0.031 4.512 4.470 0.017 0.000 0.232 636 S C -0.212 174.127 174.600 -0.435 0.000 0.975 636 S CA -0.412 57.468 58.200 -0.532 0.000 0.949 636 S CB -0.292 62.381 63.200 -0.879 0.000 0.829 636 S HN 0.637 nan 8.310 nan 0.000 0.479 637 D N 1.980 122.152 120.400 -0.381 0.000 2.277 637 D HA 0.139 4.789 4.640 0.017 0.000 0.249 637 D C 1.145 177.394 176.300 -0.085 0.000 1.134 637 D CA -0.218 53.658 54.000 -0.207 0.000 0.863 637 D CB 0.770 41.346 40.800 -0.373 0.000 1.143 637 D HN 0.139 nan 8.370 nan 0.000 0.458 638 E N 3.247 123.444 120.200 -0.005 0.000 2.118 638 E HA -0.290 4.070 4.350 0.017 0.000 0.195 638 E C 0.748 177.300 176.600 -0.080 0.000 0.992 638 E CA 1.107 57.496 56.400 -0.017 0.000 0.804 638 E CB 0.153 29.860 29.700 0.012 0.000 0.741 638 E HN 0.513 nan 8.360 nan 0.000 0.458 639 N N 0.141 118.767 118.700 -0.124 0.000 2.300 639 N HA -0.091 4.659 4.740 0.017 0.000 0.179 639 N C 1.964 177.318 175.510 -0.260 0.000 1.016 639 N CA 0.907 53.811 53.050 -0.243 0.000 0.876 639 N CB 0.054 38.228 38.487 -0.523 0.000 0.979 639 N HN 0.081 nan 8.380 nan 0.000 0.432 640 V N 1.869 121.633 119.914 -0.250 0.000 2.358 640 V HA -0.138 3.993 4.120 0.017 0.000 0.246 640 V C 2.233 178.143 176.094 -0.306 0.000 1.047 640 V CA 1.411 63.473 62.300 -0.397 0.000 1.035 640 V CB -0.350 31.271 31.823 -0.336 0.000 0.658 640 V HN 0.233 nan 8.190 nan 0.000 0.452 641 R N 0.046 120.432 120.500 -0.190 0.000 2.189 641 R HA -0.002 4.349 4.340 0.017 0.000 0.223 641 R C 2.210 178.442 176.300 -0.112 0.000 1.092 641 R CA 1.159 57.178 56.100 -0.135 0.000 0.989 641 R CB -0.348 29.910 30.300 -0.069 0.000 0.876 641 R HN 0.532 nan 8.270 nan 0.000 0.457 642 A N 1.440 124.189 122.820 -0.118 0.000 2.021 642 A HA -0.016 4.314 4.320 0.017 0.000 0.216 642 A C 2.082 179.629 177.584 -0.062 0.000 1.163 642 A CA 0.489 52.479 52.037 -0.078 0.000 0.676 642 A CB -0.306 18.651 19.000 -0.072 0.000 0.818 642 A HN 0.408 nan 8.150 nan 0.000 0.453 643 I N -3.531 116.974 120.570 -0.109 0.000 2.761 643 I HA 0.121 4.301 4.170 0.017 0.000 0.261 643 I C 2.145 178.355 176.117 0.155 0.000 1.198 643 I CA 1.017 62.302 61.300 -0.025 0.000 1.482 643 I CB -0.249 37.550 38.000 -0.336 0.000 1.100 643 I HN 0.124 nan 8.210 nan 0.000 0.445 644 A N 1.767 124.597 122.820 0.016 0.000 1.872 644 A HA -0.038 4.293 4.320 0.017 0.000 0.214 644 A C 2.377 179.944 177.584 -0.029 0.000 1.187 644 A CA 1.853 53.929 52.037 0.065 0.000 0.614 644 A CB -1.031 17.942 19.000 -0.044 0.000 0.826 644 A HN 0.300 nan 8.150 nan 0.000 0.442 645 V N 0.492 120.350 119.914 -0.094 0.000 2.392 645 V HA -0.298 3.832 4.120 0.017 0.000 0.249 645 V C 2.742 178.718 176.094 -0.197 0.000 1.059 645 V CA 2.193 64.365 62.300 -0.214 0.000 1.051 645 V CB -0.814 30.924 31.823 -0.141 0.000 0.658 645 V HN 0.704 nan 8.190 nan 0.000 0.455 646 Q N 0.225 119.999 119.800 -0.044 0.000 2.096 646 Q HA -0.291 4.059 4.340 0.017 0.000 0.204 646 Q C 2.291 178.279 176.000 -0.020 0.000 0.982 646 Q CA 1.885 57.691 55.803 0.006 0.000 0.850 646 Q CB -0.048 28.742 28.738 0.088 0.000 0.901 646 Q HN 0.461 nan 8.270 nan 0.000 0.422 647 K N 0.478 120.873 120.400 -0.008 0.000 2.097 647 K HA -0.024 4.307 4.320 0.017 0.000 0.206 647 K C 2.056 178.572 176.600 -0.139 0.000 1.049 647 K CA 0.750 56.981 56.287 -0.093 0.000 0.933 647 K CB -0.308 32.135 32.500 -0.096 0.000 0.717 647 K HN 0.237 nan 8.250 nan 0.000 0.442 648 L N 0.878 121.959 121.223 -0.236 0.000 2.265 648 L HA -0.164 4.187 4.340 0.017 0.000 0.215 648 L C 1.890 178.683 176.870 -0.128 0.000 1.117 648 L CA 0.873 55.518 54.840 -0.325 0.000 0.782 648 L CB -0.440 41.132 42.059 -0.811 0.000 0.914 648 L HN 0.213 nan 8.230 nan 0.000 0.441 649 E N 0.319 120.483 120.200 -0.061 0.000 2.130 649 E HA -0.214 4.146 4.350 0.017 0.000 0.196 649 E C 2.240 178.930 176.600 0.150 0.000 0.998 649 E CA 1.776 58.280 56.400 0.174 0.000 0.806 649 E CB -0.209 29.557 29.700 0.110 0.000 0.738 649 E HN 0.587 nan 8.360 nan 0.000 0.459 650 S N 0.235 115.972 115.700 0.062 0.000 2.603 650 S HA 0.043 4.524 4.470 0.017 0.000 0.220 650 S C 1.090 175.733 174.600 0.071 0.000 0.967 650 S CA -0.183 58.047 58.200 0.050 0.000 0.920 650 S CB -0.381 62.819 63.200 -0.001 0.000 0.773 650 S HN 0.067 nan 8.310 nan 0.000 0.529 651 L N 3.220 124.510 121.223 0.111 0.000 2.534 651 L HA 0.108 4.458 4.340 0.017 0.000 0.271 651 L C 0.748 177.713 176.870 0.158 0.000 1.178 651 L CA -0.277 54.652 54.840 0.150 0.000 0.907 651 L CB 0.161 42.356 42.059 0.226 0.000 1.164 651 L HN 0.471 nan 8.230 nan 0.000 0.482 652 E N 2.019 122.300 120.200 0.135 0.000 2.392 652 E HA 0.016 4.377 4.350 0.017 0.000 0.256 652 E C -0.015 176.671 176.600 0.145 0.000 1.145 652 E CA -0.774 55.700 56.400 0.124 0.000 0.929 652 E CB 0.698 30.460 29.700 0.103 0.000 0.998 652 E HN 0.423 nan 8.360 nan 0.000 0.442 653 D N 0.723 121.197 120.400 0.124 0.000 2.149 653 D HA -0.198 4.453 4.640 0.017 0.000 0.198 653 D C 1.362 177.741 176.300 0.131 0.000 0.990 653 D CA 1.599 55.666 54.000 0.112 0.000 0.839 653 D CB -0.376 40.483 40.800 0.098 0.000 0.948 653 D HN 0.651 nan 8.370 nan 0.000 0.460 654 D N 0.667 121.176 120.400 0.182 0.000 2.116 654 D HA -0.172 4.479 4.640 0.017 0.000 0.193 654 D C 1.350 177.760 176.300 0.183 0.000 0.998 654 D CA 1.354 55.486 54.000 0.219 0.000 0.836 654 D CB 0.012 40.944 40.800 0.220 0.000 0.951 654 D HN 0.003 nan 8.370 nan 0.000 0.449 655 D N -0.762 119.795 120.400 0.262 0.000 2.224 655 D HA -0.063 4.587 4.640 0.017 0.000 0.205 655 D C 2.275 178.792 176.300 0.361 0.000 0.965 655 D CA 0.279 54.508 54.000 0.382 0.000 0.852 655 D CB 0.014 41.025 40.800 0.352 0.000 0.947 655 D HN 0.175 nan 8.370 nan 0.000 0.494 656 V N 1.239 121.306 119.914 0.255 0.000 2.295 656 V HA -0.225 3.906 4.120 0.017 0.000 0.246 656 V C 2.687 178.868 176.094 0.144 0.000 1.049 656 V CA 1.095 63.541 62.300 0.242 0.000 1.024 656 V CB -0.496 31.423 31.823 0.160 0.000 0.648 656 V HN 0.178 nan 8.190 nan 0.000 0.447 657 L N -0.595 120.637 121.223 0.015 0.000 2.089 657 L HA -0.291 4.059 4.340 0.017 0.000 0.213 657 L C 2.460 179.222 176.870 -0.181 0.000 1.079 657 L CA 2.085 56.846 54.840 -0.132 0.000 0.758 657 L CB -0.768 41.146 42.059 -0.242 0.000 0.891 657 L HN 0.461 nan 8.230 nan 0.000 0.433 658 H N -2.717 116.289 119.070 -0.106 0.000 2.428 658 H HA -0.106 4.461 4.556 0.018 0.000 0.296 658 H C 1.085 176.112 175.328 -0.503 0.000 1.062 658 H CA 1.354 57.185 56.048 -0.362 0.000 1.350 658 H CB 0.138 29.553 29.762 -0.579 0.000 1.403 658 H HN 0.329 nan 8.280 nan 0.000 0.533 659 Y N -0.893 119.497 120.300 0.149 0.000 2.467 659 Y HA 0.080 4.641 4.550 0.018 0.000 0.250 659 Y C 1.605 177.565 175.900 0.100 0.000 1.155 659 Y CA -0.369 57.793 58.100 0.103 0.000 1.249 659 Y CB 0.506 39.029 38.460 0.105 0.000 1.146 659 Y HN 0.115 nan 8.280 nan 0.000 0.524 660 L N 0.057 121.398 121.223 0.197 0.000 2.093 660 L HA -0.152 4.199 4.340 0.017 0.000 0.208 660 L C 2.048 179.046 176.870 0.213 0.000 1.085 660 L CA 1.517 56.502 54.840 0.241 0.000 0.755 660 L CB -0.449 41.765 42.059 0.257 0.000 0.904 660 L HN 0.314 nan 8.230 nan 0.000 0.435 661 L N -0.746 120.504 121.223 0.045 0.000 2.093 661 L HA -0.168 4.183 4.340 0.017 0.000 0.208 661 L C 2.266 179.059 176.870 -0.129 0.000 1.085 661 L CA 1.679 56.344 54.840 -0.291 0.000 0.755 661 L CB -0.580 41.092 42.059 -0.645 0.000 0.904 661 L HN 0.358 nan 8.230 nan 0.000 0.435 662 Q N -0.905 118.884 119.800 -0.018 0.000 2.269 662 Q HA 0.026 4.376 4.340 0.017 0.000 0.201 662 Q C 2.164 178.214 176.000 0.084 0.000 0.946 662 Q CA 1.139 56.960 55.803 0.030 0.000 0.877 662 Q CB -0.164 28.620 28.738 0.077 0.000 0.963 662 Q HN 0.489 nan 8.270 nan 0.000 0.472 663 L N -0.614 120.690 121.223 0.135 0.000 2.093 663 L HA -0.157 4.193 4.340 0.017 0.000 0.208 663 L C 2.052 179.005 176.870 0.138 0.000 1.085 663 L CA 0.740 55.675 54.840 0.158 0.000 0.755 663 L CB -0.472 41.726 42.059 0.231 0.000 0.904 663 L HN 0.119 nan 8.230 nan 0.000 0.435 664 V N -0.584 119.411 119.914 0.134 0.000 2.343 664 V HA -0.265 3.866 4.120 0.017 0.000 0.247 664 V C 2.540 178.705 176.094 0.119 0.000 1.051 664 V CA 1.517 63.909 62.300 0.153 0.000 1.036 664 V CB -0.497 31.416 31.823 0.150 0.000 0.654 664 V HN 0.485 nan 8.190 nan 0.000 0.451 665 Q N -0.219 119.579 119.800 -0.003 0.000 2.224 665 Q HA -0.044 4.307 4.340 0.017 0.000 0.203 665 Q C 2.306 178.175 176.000 -0.219 0.000 0.970 665 Q CA 1.558 57.299 55.803 -0.104 0.000 0.865 665 Q CB -0.530 28.121 28.738 -0.145 0.000 0.922 665 Q HN 0.664 nan 8.270 nan 0.000 0.445 666 A N 0.328 123.104 122.820 -0.073 0.000 2.168 666 A HA -0.028 4.302 4.320 0.017 0.000 0.215 666 A C 2.265 179.787 177.584 -0.104 0.000 1.152 666 A CA 0.523 52.553 52.037 -0.013 0.000 0.716 666 A CB -0.287 18.828 19.000 0.191 0.000 0.794 666 A HN 0.177 nan 8.150 nan 0.000 0.465 667 V N 0.368 120.210 119.914 -0.120 0.000 2.688 667 V HA -0.262 3.868 4.120 0.017 0.000 0.256 667 V C 2.076 177.909 176.094 -0.436 0.000 1.084 667 V CA 2.166 64.343 62.300 -0.204 0.000 1.103 667 V CB -0.682 31.018 31.823 -0.205 0.000 0.688 667 V HN 0.588 nan 8.190 nan 0.000 0.480 668 K N -0.632 119.366 120.400 -0.670 0.000 2.504 668 K HA 0.023 4.354 4.320 0.017 0.000 0.195 668 K C 1.376 177.591 176.600 -0.641 0.000 1.036 668 K CA 1.025 56.672 56.287 -1.066 0.000 0.984 668 K CB -0.127 31.569 32.500 -1.340 0.000 0.788 668 K HN 0.519 nan 8.250 nan 0.000 0.488 669 F N 1.078 120.920 119.950 -0.180 0.000 2.721 669 F HA 0.121 4.660 4.527 0.020 0.000 0.301 669 F C 0.574 176.310 175.800 -0.107 0.000 1.096 669 F CA -0.634 57.301 58.000 -0.109 0.000 1.308 669 F CB 0.422 39.377 39.000 -0.075 0.000 1.086 669 F HN -0.178 nan 8.300 nan 0.000 0.587 670 E N 2.770 122.976 120.200 0.010 0.000 2.376 670 E HA 0.018 4.378 4.350 0.017 0.000 0.266 670 E C -1.532 175.012 176.600 -0.094 0.000 1.009 670 E CA -1.404 54.980 56.400 -0.026 0.000 0.902 670 E CB 0.556 30.237 29.700 -0.032 0.000 0.972 670 E HN 0.070 nan 8.360 nan 0.000 0.439 671 P HA -0.120 nan 4.420 nan 0.000 0.217 671 P C -0.102 176.849 177.300 -0.582 0.000 1.150 671 P CA 1.380 64.254 63.100 -0.377 0.000 0.832 671 P CB 0.137 31.562 31.700 -0.458 0.000 0.787 672 Y N -2.021 118.180 120.300 -0.164 0.000 2.496 672 Y HA 0.255 4.816 4.550 0.017 0.000 0.331 672 Y C 2.268 178.055 175.900 -0.190 0.000 1.140 672 Y CA -0.670 57.299 58.100 -0.218 0.000 1.166 672 Y CB 0.697 39.083 38.460 -0.124 0.000 1.249 672 Y HN -0.098 nan 8.280 nan 0.000 0.479 673 H N -0.568 118.564 119.070 0.105 0.000 2.395 673 H HA -0.080 4.487 4.556 0.018 0.000 0.299 673 H C -0.056 175.284 175.328 0.020 0.000 1.070 673 H CA 1.157 57.213 56.048 0.013 0.000 1.356 673 H CB 0.105 29.860 29.762 -0.011 0.000 1.401 673 H HN 0.520 nan 8.280 nan 0.000 0.524 674 D N 1.596 122.104 120.400 0.180 0.000 2.380 674 D HA 0.151 4.802 4.640 0.017 0.000 0.230 674 D C -0.288 176.064 176.300 0.088 0.000 1.154 674 D CA -0.180 53.883 54.000 0.105 0.000 0.859 674 D CB 0.567 41.423 40.800 0.093 0.000 1.045 674 D HN 0.232 nan 8.370 nan 0.000 0.495 675 S N 1.600 117.341 115.700 0.069 0.000 2.671 675 S HA 0.686 5.167 4.470 0.017 0.000 0.299 675 S C 1.110 175.744 174.600 0.057 0.000 1.116 675 S CA -0.421 57.815 58.200 0.060 0.000 0.912 675 S CB 1.531 64.764 63.200 0.054 0.000 1.130 675 S HN 0.252 nan 8.310 nan 0.000 0.501 676 A N 0.140 122.989 122.820 0.048 0.000 2.019 676 A HA 0.012 4.343 4.320 0.017 0.000 0.219 676 A C 1.884 179.525 177.584 0.095 0.000 1.164 676 A CA 1.504 53.577 52.037 0.059 0.000 0.644 676 A CB -0.883 18.134 19.000 0.029 0.000 0.805 676 A HN 0.933 nan 8.150 nan 0.000 0.449 677 L N -0.866 120.406 121.223 0.081 0.000 2.179 677 L HA 0.157 4.507 4.340 0.017 0.000 0.208 677 L C 2.527 179.495 176.870 0.163 0.000 1.096 677 L CA 1.820 56.732 54.840 0.121 0.000 0.779 677 L CB -0.606 41.500 42.059 0.077 0.000 0.922 677 L HN 0.273 nan 8.230 nan 0.000 0.443 678 A N -0.005 122.877 122.820 0.104 0.000 1.873 678 A HA -0.179 4.152 4.320 0.017 0.000 0.215 678 A C 2.403 180.052 177.584 0.107 0.000 1.186 678 A CA 1.681 53.770 52.037 0.087 0.000 0.616 678 A CB -0.498 18.530 19.000 0.047 0.000 0.823 678 A HN 0.490 nan 8.150 nan 0.000 0.442 679 R N -1.930 118.635 120.500 0.110 0.000 2.092 679 R HA -0.079 4.272 4.340 0.017 0.000 0.231 679 R C 1.989 178.377 176.300 0.148 0.000 1.119 679 R CA 1.411 57.572 56.100 0.103 0.000 0.970 679 R CB -0.524 29.826 30.300 0.084 0.000 0.864 679 R HN 0.570 nan 8.270 nan 0.000 0.440 680 F N 1.820 121.795 119.950 0.042 0.000 2.095 680 F HA -0.200 4.339 4.527 0.019 0.000 0.298 680 F C 1.845 177.684 175.800 0.064 0.000 1.104 680 F CA 1.522 59.553 58.000 0.051 0.000 1.232 680 F CB -0.255 38.775 39.000 0.050 0.000 0.987 680 F HN -0.109 nan 8.300 nan 0.000 0.475 681 L N -0.431 120.822 121.223 0.050 0.000 2.046 681 L HA -0.234 4.116 4.340 0.017 0.000 0.208 681 L C 2.641 179.476 176.870 -0.058 0.000 1.077 681 L CA 0.991 55.800 54.840 -0.052 0.000 0.747 681 L CB -0.876 41.235 42.059 0.087 0.000 0.896 681 L HN 0.276 nan 8.230 nan 0.000 0.432 682 L N 0.148 121.382 121.223 0.019 0.000 1.971 682 L HA -0.296 4.054 4.340 0.017 0.000 0.215 682 L C 2.781 179.680 176.870 0.049 0.000 1.072 682 L CA 1.883 56.765 54.840 0.071 0.000 0.758 682 L CB -0.279 41.824 42.059 0.073 0.000 0.889 682 L HN 0.315 nan 8.230 nan 0.000 0.433 683 K N -0.953 119.436 120.400 -0.018 0.000 2.057 683 K HA -0.163 4.168 4.320 0.017 0.000 0.207 683 K C 2.097 178.655 176.600 -0.070 0.000 1.049 683 K CA 0.972 57.240 56.287 -0.032 0.000 0.931 683 K CB -0.054 32.426 32.500 -0.033 0.000 0.714 683 K HN 0.240 nan 8.250 nan 0.000 0.440 684 R N 0.064 120.434 120.500 -0.216 0.000 2.092 684 R HA -0.036 4.314 4.340 0.017 0.000 0.231 684 R C 2.341 178.606 176.300 -0.059 0.000 1.119 684 R CA 1.187 57.157 56.100 -0.216 0.000 0.970 684 R CB -1.139 28.870 30.300 -0.485 0.000 0.864 684 R HN 0.357 nan 8.270 nan 0.000 0.440 685 G N 1.015 109.799 108.800 -0.027 0.000 2.446 685 G HA2 -0.213 3.757 3.960 0.017 0.000 0.217 685 G HA3 -0.213 3.757 3.960 0.017 0.000 0.217 685 G C 1.531 176.613 174.900 0.304 0.000 1.168 685 G CA 0.384 45.519 45.100 0.058 0.000 0.771 685 G HN 0.236 nan 8.290 nan 0.000 0.551 686 L N -0.234 121.163 121.223 0.290 0.000 2.291 686 L HA 0.106 4.456 4.340 0.017 0.000 0.214 686 L C 2.803 179.787 176.870 0.189 0.000 1.120 686 L CA 0.572 55.565 54.840 0.255 0.000 0.799 686 L CB -0.155 41.965 42.059 0.102 0.000 0.925 686 L HN 0.201 nan 8.230 nan 0.000 0.446 687 R N 0.122 120.716 120.500 0.157 0.000 2.240 687 R HA -0.009 4.342 4.340 0.017 0.000 0.203 687 R C 0.437 176.909 176.300 0.288 0.000 1.011 687 R CA 0.454 56.642 56.100 0.146 0.000 1.007 687 R CB 0.343 30.685 30.300 0.070 0.000 0.911 687 R HN 0.215 nan 8.270 nan 0.000 0.468 688 N N 0.392 119.259 118.700 0.278 0.000 2.519 688 N HA 0.064 4.814 4.740 0.017 0.000 0.291 688 N C -0.440 175.121 175.510 0.085 0.000 1.107 688 N CA -0.250 52.901 53.050 0.168 0.000 0.904 688 N CB 1.666 40.207 38.487 0.090 0.000 1.500 688 N HN -0.054 nan 8.380 nan 0.000 0.510 689 K N 1.714 122.043 120.400 -0.118 0.000 2.103 689 K HA -0.143 4.188 4.320 0.017 0.000 0.207 689 K C 1.734 178.223 176.600 -0.185 0.000 1.048 689 K CA 1.106 57.243 56.287 -0.249 0.000 0.930 689 K CB 0.244 32.358 32.500 -0.645 0.000 0.716 689 K HN 0.485 nan 8.250 nan 0.000 0.444 690 R N 1.103 121.482 120.500 -0.202 0.000 2.066 690 R HA -0.080 4.271 4.340 0.017 0.000 0.232 690 R C 2.273 178.595 176.300 0.036 0.000 1.131 690 R CA 1.201 57.213 56.100 -0.147 0.000 0.955 690 R CB -0.201 29.941 30.300 -0.263 0.000 0.851 690 R HN 0.104 nan 8.270 nan 0.000 0.432 691 I N 0.078 120.653 120.570 0.008 0.000 2.226 691 I HA -0.205 3.976 4.170 0.017 0.000 0.245 691 I C 2.453 178.567 176.117 -0.004 0.000 1.100 691 I CA 1.548 62.866 61.300 0.030 0.000 1.374 691 I CB -0.540 37.461 38.000 0.002 0.000 1.057 691 I HN 0.403 nan 8.210 nan 0.000 0.413 692 G N -0.367 108.442 108.800 0.016 0.000 2.459 692 G HA2 -0.364 3.606 3.960 0.017 0.000 0.217 692 G HA3 -0.364 3.606 3.960 0.017 0.000 0.217 692 G C 1.471 176.334 174.900 -0.062 0.000 1.183 692 G CA 1.421 46.468 45.100 -0.087 0.000 0.776 692 G HN 0.438 nan 8.290 nan 0.000 0.552 693 H N 0.032 119.116 119.070 0.024 0.000 2.265 693 H HA -0.105 4.461 4.556 0.017 0.000 0.295 693 H C 2.300 177.570 175.328 -0.096 0.000 1.084 693 H CA 2.191 58.267 56.048 0.047 0.000 1.261 693 H CB -0.444 29.165 29.762 -0.256 0.000 1.360 693 H HN 0.354 nan 8.280 nan 0.000 0.487 694 F N -0.573 119.301 119.950 -0.127 0.000 2.134 694 F HA -0.154 4.383 4.527 0.018 0.000 0.299 694 F C 2.478 177.811 175.800 -0.778 0.000 1.097 694 F CA 0.802 58.457 58.000 -0.575 0.000 1.264 694 F CB -0.474 38.152 39.000 -0.623 0.000 1.001 694 F HN 0.226 nan 8.300 nan 0.000 0.479 695 L N -0.120 120.937 121.223 -0.276 0.000 2.021 695 L HA -0.287 4.063 4.340 0.017 0.000 0.215 695 L C 2.199 178.897 176.870 -0.286 0.000 1.074 695 L CA 1.747 56.443 54.840 -0.240 0.000 0.760 695 L CB -1.149 40.709 42.059 -0.335 0.000 0.889 695 L HN 0.202 nan 8.230 nan 0.000 0.433 696 F N -1.105 118.504 119.950 -0.568 0.000 2.046 696 F HA -0.278 4.260 4.527 0.018 0.000 0.297 696 F C 1.975 177.412 175.800 -0.605 0.000 1.123 696 F CA 2.045 59.629 58.000 -0.695 0.000 1.199 696 F CB -0.706 37.613 39.000 -1.134 0.000 0.972 696 F HN 0.118 nan 8.300 nan 0.000 0.474 697 W N -0.361 120.797 121.300 -0.236 0.000 2.392 697 W HA -0.125 4.545 4.660 0.017 0.000 0.279 697 W C 2.376 178.875 176.519 -0.032 0.000 1.225 697 W CA 1.134 58.374 57.345 -0.176 0.000 1.233 697 W CB -0.630 28.763 29.460 -0.113 0.000 1.122 697 W HN 0.054 nan 8.180 nan 0.000 0.561 698 F N -0.638 119.340 119.950 0.046 0.000 2.187 698 F HA -0.139 4.398 4.527 0.018 0.000 0.295 698 F C 2.150 177.826 175.800 -0.206 0.000 1.091 698 F CA 0.397 58.381 58.000 -0.027 0.000 1.308 698 F CB -0.663 38.339 39.000 0.004 0.000 1.030 698 F HN -0.229 nan 8.300 nan 0.000 0.487 699 L N 0.073 121.247 121.223 -0.081 0.000 2.017 699 L HA -0.228 4.122 4.340 0.017 0.000 0.208 699 L C 2.566 179.236 176.870 -0.334 0.000 1.073 699 L CA 1.318 56.007 54.840 -0.253 0.000 0.745 699 L CB -0.633 41.313 42.059 -0.187 0.000 0.894 699 L HN 0.064 nan 8.230 nan 0.000 0.432 700 R N -0.462 119.778 120.500 -0.434 0.000 2.120 700 R HA -0.184 4.166 4.340 0.017 0.000 0.234 700 R C 2.574 178.771 176.300 -0.172 0.000 1.123 700 R CA 1.485 57.333 56.100 -0.421 0.000 0.975 700 R CB -0.151 29.690 30.300 -0.764 0.000 0.866 700 R HN 0.235 nan 8.270 nan 0.000 0.446 701 S N 0.230 115.887 115.700 -0.071 0.000 2.368 701 S HA -0.130 4.350 4.470 0.017 0.000 0.225 701 S C 1.581 176.121 174.600 -0.100 0.000 1.030 701 S CA 1.231 59.427 58.200 -0.007 0.000 0.999 701 S CB -0.047 63.183 63.200 0.051 0.000 0.844 701 S HN 0.352 nan 8.310 nan 0.000 0.459 702 E N 0.806 120.857 120.200 -0.247 0.000 2.107 702 E HA 0.042 4.402 4.350 0.017 0.000 0.191 702 E C 2.052 178.544 176.600 -0.180 0.000 0.982 702 E CA 0.740 56.949 56.400 -0.318 0.000 0.809 702 E CB -0.415 28.794 29.700 -0.818 0.000 0.756 702 E HN 0.601 nan 8.360 nan 0.000 0.459 703 I N 1.016 121.480 120.570 -0.175 0.000 2.454 703 I HA -0.201 3.980 4.170 0.017 0.000 0.254 703 I C 2.107 178.208 176.117 -0.027 0.000 1.156 703 I CA 1.000 62.251 61.300 -0.082 0.000 1.433 703 I CB -0.079 37.864 38.000 -0.095 0.000 1.082 703 I HN -0.033 nan 8.210 nan 0.000 0.432 704 A N -0.609 122.201 122.820 -0.017 0.000 2.195 704 A HA 0.040 4.371 4.320 0.017 0.000 0.210 704 A C 1.961 179.574 177.584 0.048 0.000 1.165 704 A CA 0.424 52.482 52.037 0.035 0.000 0.806 704 A CB 0.033 19.062 19.000 0.049 0.000 0.847 704 A HN 0.461 nan 8.150 nan 0.000 0.482 705 Q N -1.038 118.779 119.800 0.029 0.000 2.313 705 Q HA 0.130 4.480 4.340 0.017 0.000 0.263 705 Q C 0.466 176.498 176.000 0.053 0.000 0.820 705 Q CA 0.509 56.338 55.803 0.042 0.000 0.974 705 Q CB 0.568 29.321 28.738 0.025 0.000 1.156 705 Q HN 0.474 nan 8.270 nan 0.000 0.517 706 S N 1.170 116.900 115.700 0.050 0.000 2.423 706 S HA 0.273 4.754 4.470 0.017 0.000 0.317 706 S C 0.809 175.450 174.600 0.068 0.000 1.065 706 S CA -0.741 57.515 58.200 0.093 0.000 1.111 706 S CB 0.862 64.146 63.200 0.140 0.000 0.968 706 S HN 0.139 nan 8.310 nan 0.000 0.474 707 R N 2.835 123.360 120.500 0.042 0.000 2.105 707 R HA -0.142 4.209 4.340 0.017 0.000 0.239 707 R C 1.187 177.428 176.300 -0.099 0.000 1.135 707 R CA 1.977 58.098 56.100 0.034 0.000 0.967 707 R CB -0.880 29.516 30.300 0.160 0.000 0.861 707 R HN 0.808 nan 8.270 nan 0.000 0.442 708 H N -1.445 117.398 119.070 -0.377 0.000 2.421 708 H HA -0.100 4.467 4.556 0.018 0.000 0.298 708 H C 0.655 175.581 175.328 -0.670 0.000 1.087 708 H CA 1.483 57.080 56.048 -0.752 0.000 1.330 708 H CB 0.020 29.241 29.762 -0.902 0.000 1.388 708 H HN 0.288 nan 8.280 nan 0.000 0.526 709 Y N -0.287 120.059 120.300 0.077 0.000 2.672 709 Y HA 0.037 4.598 4.550 0.017 0.000 0.252 709 Y C 1.811 177.787 175.900 0.126 0.000 1.132 709 Y CA -0.384 57.776 58.100 0.101 0.000 1.228 709 Y CB 0.483 39.088 38.460 0.242 0.000 1.310 709 Y HN 0.206 nan 8.280 nan 0.000 0.549 710 Q N 0.430 120.290 119.800 0.100 0.000 2.181 710 Q HA -0.241 4.109 4.340 0.017 0.000 0.205 710 Q C 1.053 176.884 176.000 -0.281 0.000 0.980 710 Q CA 1.941 57.700 55.803 -0.074 0.000 0.862 710 Q CB -0.241 28.352 28.738 -0.242 0.000 0.905 710 Q HN 0.560 nan 8.270 nan 0.000 0.429 711 Q N 0.668 120.271 119.800 -0.327 0.000 2.049 711 Q HA -0.106 4.244 4.340 0.017 0.000 0.198 711 Q C 2.247 178.092 176.000 -0.260 0.000 0.971 711 Q CA 1.437 57.019 55.803 -0.369 0.000 0.833 711 Q CB -0.170 28.415 28.738 -0.254 0.000 0.896 711 Q HN 0.394 nan 8.270 nan 0.000 0.434 712 R N 0.394 120.758 120.500 -0.227 0.000 2.073 712 R HA -0.139 4.211 4.340 0.017 0.000 0.234 712 R C 1.928 178.114 176.300 -0.190 0.000 1.134 712 R CA 1.428 57.371 56.100 -0.262 0.000 0.952 712 R CB -0.234 29.982 30.300 -0.139 0.000 0.850 712 R HN 0.203 nan 8.270 nan 0.000 0.433 713 F N 0.541 120.451 119.950 -0.067 0.000 2.216 713 F HA -0.090 4.447 4.527 0.017 0.000 0.300 713 F C 2.540 178.278 175.800 -0.102 0.000 1.085 713 F CA 0.862 58.815 58.000 -0.079 0.000 1.326 713 F CB -0.168 38.782 39.000 -0.082 0.000 1.027 713 F HN 0.227 nan 8.300 nan 0.000 0.497 714 A N -0.350 122.491 122.820 0.036 0.000 1.930 714 A HA -0.096 4.235 4.320 0.017 0.000 0.217 714 A C 2.296 179.890 177.584 0.016 0.000 1.175 714 A CA 1.488 53.527 52.037 0.004 0.000 0.627 714 A CB -1.071 17.929 19.000 -0.000 0.000 0.815 714 A HN 0.164 nan 8.150 nan 0.000 0.443 715 V N 0.029 119.934 119.914 -0.015 0.000 2.358 715 V HA -0.246 3.885 4.120 0.017 0.000 0.246 715 V C 2.394 178.497 176.094 0.014 0.000 1.047 715 V CA 2.037 64.333 62.300 -0.007 0.000 1.035 715 V CB -0.569 31.217 31.823 -0.062 0.000 0.658 715 V HN 0.573 nan 8.190 nan 0.000 0.452 716 I N -0.821 119.759 120.570 0.016 0.000 2.252 716 I HA -0.237 3.944 4.170 0.017 0.000 0.245 716 I C 2.333 178.498 176.117 0.080 0.000 1.102 716 I CA 1.374 62.703 61.300 0.047 0.000 1.385 716 I CB -0.269 37.764 38.000 0.055 0.000 1.064 716 I HN 0.246 nan 8.210 nan 0.000 0.414 717 L N 0.632 121.890 121.223 0.059 0.000 2.046 717 L HA -0.250 4.101 4.340 0.017 0.000 0.208 717 L C 2.597 179.526 176.870 0.099 0.000 1.077 717 L CA 1.798 56.666 54.840 0.047 0.000 0.747 717 L CB -0.420 41.590 42.059 -0.082 0.000 0.896 717 L HN 0.391 nan 8.230 nan 0.000 0.432 718 E N -0.070 120.165 120.200 0.058 0.000 2.058 718 E HA -0.264 4.097 4.350 0.017 0.000 0.194 718 E C 2.059 178.704 176.600 0.075 0.000 0.997 718 E CA 1.354 57.782 56.400 0.047 0.000 0.801 718 E CB -0.013 29.710 29.700 0.038 0.000 0.746 718 E HN 0.560 nan 8.360 nan 0.000 0.450 719 A N 0.602 123.475 122.820 0.088 0.000 1.908 719 A HA -0.239 4.092 4.320 0.017 0.000 0.218 719 A C 2.098 179.748 177.584 0.109 0.000 1.181 719 A CA 1.743 53.833 52.037 0.088 0.000 0.627 719 A CB -1.102 17.934 19.000 0.060 0.000 0.818 719 A HN 0.616 nan 8.150 nan 0.000 0.445 720 Y N 0.425 120.753 120.300 0.046 0.000 2.165 720 Y HA -0.165 4.396 4.550 0.018 0.000 0.286 720 Y C 1.912 177.872 175.900 0.101 0.000 1.155 720 Y CA 1.877 60.015 58.100 0.064 0.000 1.164 720 Y CB -0.378 38.115 38.460 0.056 0.000 0.978 720 Y HN 0.213 nan 8.280 nan 0.000 0.513 721 L N -0.232 120.960 121.223 -0.052 0.000 2.201 721 L HA -0.158 4.193 4.340 0.017 0.000 0.212 721 L C 2.390 179.251 176.870 -0.015 0.000 1.105 721 L CA 1.166 55.959 54.840 -0.078 0.000 0.775 721 L CB -0.390 41.708 42.059 0.064 0.000 0.913 721 L HN 0.106 nan 8.230 nan 0.000 0.440 722 R N -0.511 120.010 120.500 0.035 0.000 2.316 722 R HA -0.017 4.333 4.340 0.017 0.000 0.202 722 R C 1.611 177.971 176.300 0.100 0.000 1.029 722 R CA 0.779 56.975 56.100 0.160 0.000 1.018 722 R CB 0.010 30.417 30.300 0.178 0.000 0.888 722 R HN 0.360 nan 8.270 nan 0.000 0.471 723 G N -1.009 107.765 108.800 -0.042 0.000 3.215 723 G HA2 -0.084 3.887 3.960 0.017 0.000 0.236 723 G HA3 -0.084 3.887 3.960 0.017 0.000 0.236 723 G C 1.204 176.010 174.900 -0.157 0.000 1.029 723 G CA -0.018 45.033 45.100 -0.081 0.000 0.909 723 G HN 0.421 nan 8.290 nan 0.000 0.543 724 C N -0.301 118.829 119.300 -0.284 0.000 2.432 724 C HA 0.539 5.010 4.460 0.017 0.000 0.280 724 C C 1.484 176.499 174.990 0.043 0.000 1.353 724 C CA 0.162 59.059 59.018 -0.201 0.000 1.766 724 C CB -1.084 26.390 27.740 -0.443 0.000 1.924 724 C HN 1.327 nan 8.230 nan 0.000 0.509 725 G N -0.387 108.418 108.800 0.008 0.000 2.525 725 G HA2 0.195 4.166 3.960 0.017 0.000 0.685 725 G HA3 0.195 4.166 3.960 0.017 0.000 0.685 725 G C 0.232 175.151 174.900 0.032 0.000 1.285 725 G CA 0.310 45.434 45.100 0.040 0.000 0.849 725 G HN 0.924 nan 8.290 nan 0.000 0.653 726 T N -1.632 112.929 114.554 0.013 0.000 2.915 726 T HA 0.241 4.601 4.350 0.017 0.000 0.269 726 T C 2.553 177.277 174.700 0.039 0.000 1.071 726 T CA 2.147 64.254 62.100 0.013 0.000 1.132 726 T CB -0.092 68.759 68.868 -0.027 0.000 0.878 726 T HN 1.965 nan 8.240 nan 0.000 0.479 727 A N 1.559 124.395 122.820 0.027 0.000 1.968 727 A HA 0.220 4.551 4.320 0.017 0.000 0.217 727 A C 2.462 180.012 177.584 -0.057 0.000 1.169 727 A CA 1.185 53.236 52.037 0.024 0.000 0.638 727 A CB -0.596 18.406 19.000 0.002 0.000 0.812 727 A HN 0.498 nan 8.150 nan 0.000 0.446 728 M N -0.912 118.627 119.600 -0.101 0.000 2.388 728 M HA 0.088 4.578 4.480 0.017 0.000 0.265 728 M C 1.981 178.140 176.300 -0.236 0.000 1.088 728 M CA 0.804 55.925 55.300 -0.298 0.000 1.134 728 M CB -0.579 31.889 32.600 -0.221 0.000 1.384 728 M HN 0.368 nan 8.290 nan 0.000 0.447 729 L N -0.602 120.637 121.223 0.026 0.000 2.056 729 L HA -0.239 4.112 4.340 0.017 0.000 0.207 729 L C 2.710 179.657 176.870 0.128 0.000 1.078 729 L CA 1.339 56.268 54.840 0.148 0.000 0.749 729 L CB -0.896 41.261 42.059 0.163 0.000 0.901 729 L HN 0.308 nan 8.230 nan 0.000 0.433 730 H N 0.444 119.508 119.070 -0.011 0.000 2.267 730 H HA -0.205 4.362 4.556 0.018 0.000 0.297 730 H C 1.799 177.105 175.328 -0.037 0.000 1.080 730 H CA 2.175 58.215 56.048 -0.013 0.000 1.278 730 H CB -0.313 29.433 29.762 -0.027 0.000 1.365 730 H HN 0.215 nan 8.280 nan 0.000 0.489 731 D N -0.392 119.797 120.400 -0.352 0.000 2.116 731 D HA -0.166 4.485 4.640 0.017 0.000 0.193 731 D C 2.319 178.458 176.300 -0.267 0.000 0.998 731 D CA 1.547 55.278 54.000 -0.448 0.000 0.836 731 D CB -0.621 39.900 40.800 -0.466 0.000 0.951 731 D HN 0.413 nan 8.370 nan 0.000 0.449 732 F N 0.543 120.364 119.950 -0.214 0.000 2.095 732 F HA -0.215 4.322 4.527 0.017 0.000 0.298 732 F C 2.675 178.376 175.800 -0.164 0.000 1.104 732 F CA 1.095 58.897 58.000 -0.331 0.000 1.232 732 F CB -0.522 38.085 39.000 -0.654 0.000 0.987 732 F HN -0.075 nan 8.300 nan 0.000 0.475 733 T N -0.538 114.088 114.554 0.119 0.000 2.737 733 T HA -0.246 4.115 4.350 0.017 0.000 0.269 733 T C 1.799 176.565 174.700 0.110 0.000 1.040 733 T CA 1.420 63.593 62.100 0.121 0.000 1.142 733 T CB -0.312 68.644 68.868 0.147 0.000 0.861 733 T HN 0.366 nan 8.240 nan 0.000 0.456 734 Q N 0.449 120.293 119.800 0.073 0.000 2.123 734 Q HA -0.058 4.292 4.340 0.017 0.000 0.199 734 Q C 2.579 178.640 176.000 0.102 0.000 0.966 734 Q CA 0.980 56.826 55.803 0.072 0.000 0.845 734 Q CB -0.149 28.594 28.738 0.008 0.000 0.907 734 Q HN 0.637 nan 8.270 nan 0.000 0.439 735 Q N -0.020 119.877 119.800 0.163 0.000 2.084 735 Q HA -0.131 4.220 4.340 0.017 0.000 0.202 735 Q C 2.222 178.398 176.000 0.294 0.000 0.978 735 Q CA 1.409 57.372 55.803 0.267 0.000 0.844 735 Q CB -0.005 29.028 28.738 0.492 0.000 0.898 735 Q HN 0.191 nan 8.270 nan 0.000 0.426 736 V N 0.962 121.047 119.914 0.285 0.000 2.358 736 V HA -0.273 3.858 4.120 0.017 0.000 0.246 736 V C 2.122 178.311 176.094 0.159 0.000 1.047 736 V CA 1.799 64.259 62.300 0.267 0.000 1.035 736 V CB -0.563 31.373 31.823 0.188 0.000 0.658 736 V HN 0.358 nan 8.190 nan 0.000 0.452 737 Q N -0.466 119.396 119.800 0.104 0.000 2.096 737 Q HA -0.177 4.173 4.340 0.017 0.000 0.204 737 Q C 2.363 178.366 176.000 0.006 0.000 0.982 737 Q CA 1.937 57.774 55.803 0.057 0.000 0.850 737 Q CB -0.319 28.452 28.738 0.055 0.000 0.901 737 Q HN 0.546 nan 8.270 nan 0.000 0.422 738 V N 1.839 121.718 119.914 -0.058 0.000 2.237 738 V HA -0.236 3.895 4.120 0.017 0.000 0.245 738 V C 2.212 178.226 176.094 -0.134 0.000 1.046 738 V CA 1.724 63.901 62.300 -0.205 0.000 1.007 738 V CB -0.717 30.729 31.823 -0.630 0.000 0.638 738 V HN 0.546 nan 8.190 nan 0.000 0.445 739 I N -0.400 120.170 120.570 0.001 0.000 2.830 739 I HA -0.133 4.047 4.170 0.017 0.000 0.263 739 I C 2.033 178.199 176.117 0.081 0.000 1.230 739 I CA 1.555 62.931 61.300 0.126 0.000 1.480 739 I CB -1.106 37.115 38.000 0.369 0.000 1.095 739 I HN 0.443 nan 8.210 nan 0.000 0.455 740 E N 0.999 121.242 120.200 0.072 0.000 2.017 740 E HA -0.197 4.164 4.350 0.017 0.000 0.193 740 E C 2.289 178.883 176.600 -0.010 0.000 0.997 740 E CA 1.975 58.406 56.400 0.053 0.000 0.804 740 E CB -0.096 29.639 29.700 0.059 0.000 0.757 740 E HN 0.506 nan 8.360 nan 0.000 0.448 741 M N 0.125 119.700 119.600 -0.041 0.000 2.086 741 M HA -0.192 4.299 4.480 0.017 0.000 0.261 741 M C 2.276 178.495 176.300 -0.134 0.000 1.067 741 M CA 1.381 56.641 55.300 -0.066 0.000 1.116 741 M CB -0.220 32.346 32.600 -0.056 0.000 1.348 741 M HN 0.134 nan 8.290 nan 0.000 0.407 742 L N -0.494 120.577 121.223 -0.254 0.000 2.093 742 L HA -0.214 4.136 4.340 0.017 0.000 0.208 742 L C 2.527 179.125 176.870 -0.454 0.000 1.085 742 L CA 1.259 55.816 54.840 -0.472 0.000 0.755 742 L CB -0.597 40.896 42.059 -0.943 0.000 0.904 742 L HN 0.389 nan 8.230 nan 0.000 0.435 743 Q N -0.297 119.326 119.800 -0.295 0.000 2.123 743 Q HA -0.199 4.151 4.340 0.017 0.000 0.199 743 Q C 2.179 178.157 176.000 -0.037 0.000 0.966 743 Q CA 1.028 56.788 55.803 -0.071 0.000 0.845 743 Q CB -0.013 28.780 28.738 0.093 0.000 0.907 743 Q HN 0.360 nan 8.270 nan 0.000 0.439 744 K N 0.298 120.670 120.400 -0.046 0.000 2.020 744 K HA -0.196 4.135 4.320 0.017 0.000 0.212 744 K C 2.010 178.586 176.600 -0.040 0.000 1.050 744 K CA 1.656 57.924 56.287 -0.031 0.000 0.929 744 K CB -0.097 32.386 32.500 -0.028 0.000 0.714 744 K HN 0.051 nan 8.250 nan 0.000 0.443 745 V N 0.743 120.618 119.914 -0.064 0.000 2.343 745 V HA -0.237 3.893 4.120 0.017 0.000 0.247 745 V C 2.185 178.260 176.094 -0.032 0.000 1.051 745 V CA 2.183 64.452 62.300 -0.051 0.000 1.036 745 V CB -0.679 31.102 31.823 -0.070 0.000 0.654 745 V HN 0.448 nan 8.190 nan 0.000 0.451 746 T N 0.779 115.311 114.554 -0.037 0.000 2.665 746 T HA -0.201 4.159 4.350 0.017 0.000 0.268 746 T C 1.854 176.569 174.700 0.024 0.000 1.035 746 T CA 1.834 63.949 62.100 0.026 0.000 1.151 746 T CB -0.339 68.580 68.868 0.084 0.000 0.862 746 T HN 0.329 nan 8.240 nan 0.000 0.438 747 L N 0.600 121.818 121.223 -0.009 0.000 2.109 747 L HA -0.057 4.294 4.340 0.017 0.000 0.207 747 L C 2.423 179.270 176.870 -0.039 0.000 1.086 747 L CA 1.053 55.859 54.840 -0.055 0.000 0.760 747 L CB -0.600 41.406 42.059 -0.089 0.000 0.910 747 L HN 0.124 nan 8.230 nan 0.000 0.437 748 D N 0.278 120.664 120.400 -0.024 0.000 2.182 748 D HA -0.173 4.478 4.640 0.017 0.000 0.201 748 D C 2.035 178.331 176.300 -0.006 0.000 0.986 748 D CA 1.295 55.285 54.000 -0.016 0.000 0.847 748 D CB -0.021 40.771 40.800 -0.013 0.000 0.942 748 D HN 0.214 nan 8.370 nan 0.000 0.467 749 I N 0.214 120.786 120.570 0.003 0.000 2.584 749 I HA -0.067 4.113 4.170 0.017 0.000 0.255 749 I C 2.115 178.245 176.117 0.021 0.000 1.145 749 I CA 0.687 61.997 61.300 0.016 0.000 1.462 749 I CB 0.028 38.046 38.000 0.029 0.000 1.102 749 I HN -0.159 nan 8.210 nan 0.000 0.433 750 K N 0.260 120.672 120.400 0.019 0.000 2.063 750 K HA -0.166 4.165 4.320 0.017 0.000 0.208 750 K C 2.204 178.810 176.600 0.011 0.000 1.048 750 K CA 1.775 58.076 56.287 0.024 0.000 0.928 750 K CB -0.020 32.487 32.500 0.012 0.000 0.713 750 K HN 0.290 nan 8.250 nan 0.000 0.442 751 S N 1.206 116.904 115.700 -0.003 0.000 2.383 751 S HA -0.151 4.330 4.470 0.017 0.000 0.229 751 S C 1.864 176.464 174.600 0.001 0.000 1.030 751 S CA 1.080 59.277 58.200 -0.005 0.000 1.002 751 S CB -0.241 62.953 63.200 -0.010 0.000 0.829 751 S HN 0.209 nan 8.310 nan 0.000 0.467 752 L N 1.530 122.756 121.223 0.004 0.000 2.156 752 L HA 0.029 4.380 4.340 0.017 0.000 0.208 752 L C 0.814 177.688 176.870 0.006 0.000 1.095 752 L CA 0.706 55.549 54.840 0.005 0.000 0.770 752 L CB -0.178 41.886 42.059 0.008 0.000 0.914 752 L HN 0.305 nan 8.230 nan 0.000 0.439 753 S N -1.487 114.219 115.700 0.009 0.000 2.707 753 S HA 0.629 5.110 4.470 0.017 0.000 0.312 753 S C 0.439 175.038 174.600 -0.002 0.000 1.116 753 S CA -0.410 57.793 58.200 0.005 0.000 1.078 753 S CB 1.838 65.046 63.200 0.014 0.000 0.997 753 S HN 0.116 nan 8.310 nan 0.000 0.477 754 A N 3.215 126.025 122.820 -0.016 0.000 1.821 754 A HA 0.044 4.375 4.320 0.017 0.000 0.215 754 A C 1.863 179.424 177.584 -0.037 0.000 1.216 754 A CA 1.279 53.303 52.037 -0.022 0.000 0.615 754 A CB -0.417 18.565 19.000 -0.030 0.000 0.862 754 A HN 0.792 nan 8.150 nan 0.000 0.450 755 E N -2.084 118.064 120.200 -0.087 0.000 3.155 755 E HA 0.091 4.452 4.350 0.017 0.000 0.208 755 E C 0.086 176.492 176.600 -0.323 0.000 1.060 755 E CA -0.099 56.205 56.400 -0.161 0.000 1.522 755 E CB -0.427 29.174 29.700 -0.165 0.000 1.433 755 E HN 0.312 nan 8.360 nan 0.000 0.709 756 K N 1.976 122.193 120.400 -0.305 0.000 2.392 756 K HA -0.175 4.156 4.320 0.017 0.000 0.259 756 K C 0.133 176.626 176.600 -0.177 0.000 1.141 756 K CA 0.316 56.428 56.287 -0.291 0.000 1.208 756 K CB -0.490 31.941 32.500 -0.116 0.000 0.786 756 K HN 0.119 nan 8.250 nan 0.000 0.498 757 Y N 0.807 121.129 120.300 0.035 0.000 2.497 757 Y HA -0.090 4.470 4.550 0.017 0.000 0.292 757 Y C 0.929 176.851 175.900 0.036 0.000 1.137 757 Y CA 0.509 58.634 58.100 0.042 0.000 1.285 757 Y CB -0.085 38.407 38.460 0.052 0.000 0.991 757 Y HN 0.605 nan 8.280 nan 0.000 0.556 758 D N 0.678 121.168 120.400 0.151 0.000 2.455 758 D HA 0.015 4.665 4.640 0.017 0.000 0.241 758 D C -0.494 175.848 176.300 0.069 0.000 1.138 758 D CA 0.214 54.272 54.000 0.096 0.000 0.877 758 D CB 0.999 41.839 40.800 0.067 0.000 1.187 758 D HN -0.173 nan 8.370 nan 0.000 0.451 759 V N 4.138 124.087 119.914 0.060 0.000 2.372 759 V HA 0.120 4.251 4.120 0.017 0.000 0.261 759 V C 0.840 176.953 176.094 0.031 0.000 1.055 759 V CA -0.570 61.757 62.300 0.044 0.000 0.930 759 V CB 0.346 32.193 31.823 0.039 0.000 1.031 759 V HN 0.595 nan 8.190 nan 0.000 0.479 760 S N 3.685 119.401 115.700 0.027 0.000 2.584 760 S HA 0.182 4.662 4.470 0.017 0.000 0.273 760 S C 1.592 176.202 174.600 0.017 0.000 1.311 760 S CA 0.088 58.300 58.200 0.020 0.000 1.034 760 S CB 1.576 64.785 63.200 0.016 0.000 0.939 760 S HN 1.004 nan 8.310 nan 0.000 0.513 761 S N 2.276 117.984 115.700 0.013 0.000 2.399 761 S HA -0.234 4.246 4.470 0.017 0.000 0.231 761 S C 1.839 176.446 174.600 0.011 0.000 1.022 761 S CA 1.379 59.586 58.200 0.011 0.000 0.983 761 S CB -0.852 62.354 63.200 0.009 0.000 0.803 761 S HN 0.899 nan 8.310 nan 0.000 0.480 762 Q N 0.268 120.075 119.800 0.010 0.000 2.119 762 Q HA -0.042 4.309 4.340 0.017 0.000 0.201 762 Q C 2.166 178.173 176.000 0.011 0.000 0.972 762 Q CA 1.641 57.450 55.803 0.009 0.000 0.847 762 Q CB -0.272 28.471 28.738 0.008 0.000 0.903 762 Q HN 0.494 nan 8.270 nan 0.000 0.433 763 V N 0.189 120.111 119.914 0.013 0.000 2.591 763 V HA -0.129 4.001 4.120 0.017 0.000 0.249 763 V C 1.957 178.063 176.094 0.019 0.000 1.053 763 V CA 1.083 63.392 62.300 0.016 0.000 1.068 763 V CB -0.200 31.634 31.823 0.019 0.000 0.689 763 V HN 0.418 nan 8.190 nan 0.000 0.462 764 I N 0.317 120.898 120.570 0.019 0.000 2.361 764 I HA -0.181 3.999 4.170 0.017 0.000 0.251 764 I C 2.681 178.808 176.117 0.016 0.000 1.133 764 I CA 1.865 63.177 61.300 0.020 0.000 1.413 764 I CB -0.362 37.648 38.000 0.016 0.000 1.073 764 I HN 0.407 nan 8.210 nan 0.000 0.424 765 S N 0.054 115.762 115.700 0.013 0.000 2.428 765 S HA -0.189 4.291 4.470 0.017 0.000 0.230 765 S C 1.971 176.576 174.600 0.009 0.000 1.014 765 S CA 1.197 59.403 58.200 0.010 0.000 0.957 765 S CB -0.033 63.172 63.200 0.008 0.000 0.784 765 S HN 0.392 nan 8.310 nan 0.000 0.499 766 Q N 0.706 120.512 119.800 0.010 0.000 2.123 766 Q HA 0.188 4.538 4.340 0.017 0.000 0.199 766 Q C 2.139 178.144 176.000 0.009 0.000 0.966 766 Q CA 1.048 56.856 55.803 0.008 0.000 0.845 766 Q CB -0.340 28.402 28.738 0.008 0.000 0.907 766 Q HN 0.472 nan 8.270 nan 0.000 0.439 767 L N 0.456 121.687 121.223 0.013 0.000 2.042 767 L HA -0.262 4.088 4.340 0.017 0.000 0.210 767 L C 1.563 178.440 176.870 0.010 0.000 1.076 767 L CA 1.407 56.256 54.840 0.015 0.000 0.749 767 L CB -0.140 41.935 42.059 0.027 0.000 0.893 767 L HN 0.236 nan 8.230 nan 0.000 0.432 768 K N -0.420 119.986 120.400 0.011 0.000 2.097 768 K HA -0.209 4.122 4.320 0.017 0.000 0.205 768 K C 1.860 178.462 176.600 0.004 0.000 1.050 768 K CA 1.157 57.448 56.287 0.007 0.000 0.938 768 K CB -0.482 32.023 32.500 0.009 0.000 0.718 768 K HN 0.458 nan 8.250 nan 0.000 0.442 769 Q N 1.263 121.066 119.800 0.005 0.000 2.020 769 Q HA -0.130 4.220 4.340 0.017 0.000 0.202 769 Q C 1.931 177.932 176.000 0.002 0.000 0.982 769 Q CA 1.684 57.490 55.803 0.004 0.000 0.838 769 Q CB 0.074 28.814 28.738 0.004 0.000 0.899 769 Q HN 0.234 nan 8.270 nan 0.000 0.423 770 K N -0.126 120.274 120.400 0.000 0.000 2.147 770 K HA -0.113 4.217 4.320 0.017 0.000 0.205 770 K C 2.016 178.612 176.600 -0.007 0.000 1.049 770 K CA 0.921 57.205 56.287 -0.004 0.000 0.936 770 K CB 0.036 32.532 32.500 -0.007 0.000 0.722 770 K HN 0.215 nan 8.250 nan 0.000 0.446 771 L N 0.456 121.674 121.223 -0.008 0.000 2.095 771 L HA -0.109 4.241 4.340 0.017 0.000 0.204 771 L C 2.173 179.041 176.870 -0.004 0.000 1.080 771 L CA 1.022 55.854 54.840 -0.013 0.000 0.759 771 L CB -0.308 41.738 42.059 -0.022 0.000 0.914 771 L HN 0.166 nan 8.230 nan 0.000 0.439 772 E N 0.351 120.551 120.200 -0.000 0.000 2.065 772 E HA -0.304 4.057 4.350 0.017 0.000 0.201 772 E C 1.953 178.559 176.600 0.010 0.000 1.016 772 E CA 1.677 58.080 56.400 0.006 0.000 0.818 772 E CB -0.227 29.477 29.700 0.006 0.000 0.749 772 E HN 0.426 nan 8.360 nan 0.000 0.453 773 N N 0.333 119.037 118.700 0.007 0.000 2.036 773 N HA -0.201 4.550 4.740 0.017 0.000 0.195 773 N C 2.015 177.533 175.510 0.013 0.000 1.037 773 N CA 1.085 54.140 53.050 0.009 0.000 0.855 773 N CB -0.072 38.418 38.487 0.005 0.000 1.033 773 N HN 0.096 nan 8.380 nan 0.000 0.423 774 L N 0.691 121.921 121.223 0.011 0.000 2.093 774 L HA -0.158 4.192 4.340 0.017 0.000 0.208 774 L C 2.607 179.498 176.870 0.035 0.000 1.085 774 L CA 0.899 55.750 54.840 0.018 0.000 0.755 774 L CB -0.377 41.688 42.059 0.011 0.000 0.904 774 L HN 0.247 nan 8.230 nan 0.000 0.435 775 Q N 0.699 120.520 119.800 0.036 0.000 2.226 775 Q HA -0.131 4.220 4.340 0.017 0.000 0.204 775 Q C 0.255 176.281 176.000 0.044 0.000 0.975 775 Q CA 1.080 56.913 55.803 0.049 0.000 0.866 775 Q CB 0.040 28.802 28.738 0.039 0.000 0.915 775 Q HN 0.424 nan 8.270 nan 0.000 0.440 776 N N -0.175 118.545 118.700 0.032 0.000 2.500 776 N HA 0.170 4.921 4.740 0.017 0.000 0.236 776 N C -1.045 174.482 175.510 0.028 0.000 1.022 776 N CA 0.181 53.248 53.050 0.029 0.000 0.935 776 N CB 1.118 39.618 38.487 0.022 0.000 1.147 776 N HN 0.089 nan 8.380 nan 0.000 0.512 777 S N 0.817 116.537 115.700 0.033 0.000 3.593 777 S HA -0.202 4.278 4.470 0.017 0.000 0.301 777 S C 0.668 175.287 174.600 0.031 0.000 1.209 777 S CA 1.294 59.512 58.200 0.030 0.000 0.878 777 S CB -1.032 62.182 63.200 0.023 0.000 1.000 777 S HN 0.805 nan 8.310 nan 0.000 0.578 778 Q N -1.269 118.553 119.800 0.037 0.000 2.486 778 Q HA 0.451 4.802 4.340 0.017 0.000 0.204 778 Q C -0.269 175.758 176.000 0.045 0.000 0.736 778 Q CA 0.075 55.899 55.803 0.035 0.000 0.933 778 Q CB 0.321 29.073 28.738 0.025 0.000 1.308 778 Q HN 0.460 nan 8.270 nan 0.000 0.469 779 L N 3.551 124.808 121.223 0.057 0.000 2.281 779 L HA 0.430 4.781 4.340 0.017 0.000 0.285 779 L C -2.423 174.512 176.870 0.109 0.000 1.074 779 L CA -1.932 52.954 54.840 0.077 0.000 0.817 779 L CB 0.485 42.604 42.059 0.101 0.000 1.168 779 L HN -0.088 nan 8.230 nan 0.000 0.434 780 P HA -0.044 nan 4.420 nan 0.000 0.263 780 P C 0.335 177.736 177.300 0.169 0.000 1.168 780 P CA 0.138 63.321 63.100 0.138 0.000 0.759 780 P CB 0.463 32.254 31.700 0.151 0.000 0.782 781 E N 0.876 121.153 120.200 0.128 0.000 2.147 781 E HA -0.145 4.215 4.350 0.017 0.000 0.199 781 E C 0.564 177.233 176.600 0.115 0.000 1.005 781 E CA 1.677 58.144 56.400 0.111 0.000 0.810 781 E CB -0.163 29.584 29.700 0.079 0.000 0.736 781 E HN 0.620 nan 8.360 nan 0.000 0.460 782 S N -0.585 115.183 115.700 0.113 0.000 2.543 782 S HA 0.523 5.004 4.470 0.017 0.000 0.273 782 S C -0.778 173.868 174.600 0.077 0.000 1.152 782 S CA -1.129 57.093 58.200 0.038 0.000 0.910 782 S CB 0.767 63.942 63.200 -0.041 0.000 1.105 782 S HN 0.156 nan 8.310 nan 0.000 0.465 783 F N 0.112 120.000 119.950 -0.102 0.000 2.588 783 F HA 0.770 5.307 4.527 0.017 0.000 0.314 783 F C -0.265 175.423 175.800 -0.187 0.000 1.069 783 F CA -1.269 56.651 58.000 -0.133 0.000 0.931 783 F CB 1.347 40.287 39.000 -0.100 0.000 1.260 783 F HN 0.692 nan 8.300 nan 0.000 0.465 784 R N 1.478 121.928 120.500 -0.083 0.000 2.441 784 R HA 0.533 4.883 4.340 0.017 0.000 0.284 784 R C -1.126 175.086 176.300 -0.148 0.000 1.070 784 R CA -0.800 55.169 56.100 -0.219 0.000 1.047 784 R CB 1.651 31.829 30.300 -0.203 0.000 1.016 784 R HN 0.683 nan 8.270 nan 0.000 0.477 785 V N 7.200 126.901 119.914 -0.355 0.000 2.405 785 V HA 0.062 4.192 4.120 0.017 0.000 0.264 785 V C -1.556 174.277 176.094 -0.434 0.000 1.048 785 V CA -1.227 60.807 62.300 -0.443 0.000 0.966 785 V CB 1.190 32.611 31.823 -0.669 0.000 1.015 785 V HN 0.723 nan 8.190 nan 0.000 0.477 786 P HA -0.188 nan 4.420 nan 0.000 0.216 786 P C 1.291 178.483 177.300 -0.179 0.000 1.153 786 P CA 1.569 64.516 63.100 -0.255 0.000 0.858 786 P CB -0.024 31.174 31.700 -0.835 0.000 0.789 787 Y N -2.147 118.095 120.300 -0.097 0.000 2.583 787 Y HA 0.253 4.814 4.550 0.017 0.000 0.293 787 Y C 0.242 176.235 175.900 0.155 0.000 1.157 787 Y CA 0.003 58.156 58.100 0.089 0.000 1.315 787 Y CB -0.707 37.798 38.460 0.075 0.000 1.021 787 Y HN -0.145 nan 8.280 nan 0.000 0.536 788 D N 0.925 121.209 120.400 -0.194 0.000 2.823 788 D HA 0.192 4.842 4.640 0.017 0.000 0.255 788 D C -2.395 173.729 176.300 -0.293 0.000 1.257 788 D CA -2.104 51.839 54.000 -0.094 0.000 0.803 788 D CB 1.029 41.806 40.800 -0.037 0.000 1.384 788 D HN -0.030 nan 8.370 nan 0.000 0.541 789 P HA 0.006 nan 4.420 nan 0.000 0.228 789 P C 1.429 178.499 177.300 -0.384 0.000 1.151 789 P CA 0.482 63.207 63.100 -0.625 0.000 0.770 789 P CB 0.316 31.357 31.700 -1.098 0.000 0.786 790 G N 0.669 109.330 108.800 -0.232 0.000 2.418 790 G HA2 -0.132 3.838 3.960 0.017 0.000 0.217 790 G HA3 -0.132 3.838 3.960 0.017 0.000 0.217 790 G C 0.750 175.520 174.900 -0.217 0.000 1.158 790 G CA 0.138 45.133 45.100 -0.174 0.000 0.771 790 G HN 0.239 nan 8.290 nan 0.000 0.545 791 L N 0.994 122.085 121.223 -0.221 0.000 2.410 791 L HA 0.225 4.576 4.340 0.017 0.000 0.273 791 L C 0.198 176.880 176.870 -0.313 0.000 1.152 791 L CA -0.004 54.692 54.840 -0.240 0.000 0.855 791 L CB 0.936 42.864 42.059 -0.219 0.000 1.129 791 L HN 0.015 nan 8.230 nan 0.000 0.463 792 K N 3.405 123.626 120.400 -0.299 0.000 2.293 792 K HA 0.534 4.864 4.320 0.017 0.000 0.267 792 K C -0.412 175.930 176.600 -0.430 0.000 1.010 792 K CA -0.485 55.584 56.287 -0.363 0.000 0.875 792 K CB 1.866 34.210 32.500 -0.260 0.000 1.106 792 K HN 0.666 nan 8.250 nan 0.000 0.450 793 A N 2.428 124.797 122.820 -0.751 0.000 2.322 793 A HA 0.599 4.930 4.320 0.017 0.000 0.269 793 A C 0.688 177.944 177.584 -0.546 0.000 1.094 793 A CA 0.110 51.673 52.037 -0.789 0.000 0.807 793 A CB 0.885 18.971 19.000 -1.523 0.000 1.047 793 A HN 0.855 nan 8.150 nan 0.000 0.487 794 G N -0.179 108.543 108.800 -0.131 0.000 2.542 794 G HA2 0.536 4.506 3.960 0.017 0.000 0.208 794 G HA3 0.536 4.506 3.960 0.017 0.000 0.208 794 G C 0.303 175.353 174.900 0.249 0.000 1.976 794 G CA 0.522 45.646 45.100 0.041 0.000 0.722 794 G HN 1.460 nan 8.290 nan 0.000 0.798 795 A N -0.288 122.672 122.820 0.234 0.000 2.337 795 A HA 0.736 5.067 4.320 0.017 0.000 0.329 795 A C -0.250 177.431 177.584 0.162 0.000 1.146 795 A CA -0.546 51.618 52.037 0.212 0.000 0.800 795 A CB 0.826 19.893 19.000 0.111 0.000 1.220 795 A HN 0.444 nan 8.150 nan 0.000 0.472 796 L N 1.166 122.399 121.223 0.018 0.000 2.543 796 L HA 0.192 4.542 4.340 0.017 0.000 0.285 796 L C 1.004 177.807 176.870 -0.112 0.000 1.236 796 L CA 0.206 54.890 54.840 -0.260 0.000 0.871 796 L CB 0.662 42.579 42.059 -0.236 0.000 1.121 796 L HN 0.788 nan 8.230 nan 0.000 0.501 797 A N 4.949 127.693 122.820 -0.125 0.000 2.736 797 A HA 0.347 4.678 4.320 0.017 0.000 0.335 797 A C 1.180 178.744 177.584 -0.033 0.000 1.446 797 A CA -0.523 51.494 52.037 -0.034 0.000 1.028 797 A CB -0.221 18.786 19.000 0.011 0.000 1.154 797 A HN 0.754 nan 8.150 nan 0.000 0.507 798 I N 0.803 121.355 120.570 -0.030 0.000 2.208 798 I HA -0.267 3.914 4.170 0.017 0.000 0.245 798 I C 2.105 178.225 176.117 0.006 0.000 1.097 798 I CA 1.646 62.933 61.300 -0.021 0.000 1.363 798 I CB -0.662 37.330 38.000 -0.013 0.000 1.051 798 I HN 0.636 nan 8.210 nan 0.000 0.413 799 E N 1.624 121.831 120.200 0.013 0.000 2.070 799 E HA -0.244 4.116 4.350 0.017 0.000 0.197 799 E C 2.029 178.650 176.600 0.035 0.000 1.004 799 E CA 1.495 57.908 56.400 0.022 0.000 0.805 799 E CB -0.352 29.361 29.700 0.022 0.000 0.744 799 E HN 0.437 nan 8.360 nan 0.000 0.451 800 K N -0.206 120.228 120.400 0.056 0.000 2.432 800 K HA 0.085 4.415 4.320 0.017 0.000 0.196 800 K C 0.136 176.827 176.600 0.151 0.000 1.038 800 K CA 0.100 56.447 56.287 0.099 0.000 0.986 800 K CB 0.028 32.616 32.500 0.147 0.000 0.782 800 K HN 0.102 nan 8.250 nan 0.000 0.485 801 C N 2.190 121.564 119.300 0.123 0.000 2.657 801 C HA 0.216 4.686 4.460 0.017 0.000 0.404 801 C C 0.008 175.071 174.990 0.122 0.000 1.291 801 C CA -0.460 58.657 59.018 0.165 0.000 2.218 801 C CB -0.359 27.426 27.740 0.075 0.000 2.687 801 C HN 0.457 nan 8.230 nan 0.000 0.634 802 K N 0.517 121.012 120.400 0.158 0.000 2.583 802 K HA 0.507 4.838 4.320 0.017 0.000 0.260 802 K C -1.550 175.127 176.600 0.128 0.000 0.931 802 K CA -0.736 55.605 56.287 0.090 0.000 0.849 802 K CB 0.041 32.541 32.500 0.001 0.000 1.347 802 K HN 0.224 nan 8.250 nan 0.000 0.425 803 V N 3.495 123.465 119.914 0.093 0.000 2.872 803 V HA 0.074 4.205 4.120 0.017 0.000 0.307 803 V C 0.451 176.600 176.094 0.093 0.000 1.072 803 V CA 0.196 62.556 62.300 0.101 0.000 1.148 803 V CB 0.487 32.354 31.823 0.074 0.000 0.954 803 V HN 0.753 nan 8.190 nan 0.000 0.490 804 M N 2.514 122.184 119.600 0.116 0.000 2.654 804 M HA 0.532 5.023 4.480 0.017 0.000 0.310 804 M C 0.766 177.119 176.300 0.088 0.000 1.211 804 M CA -0.580 54.782 55.300 0.103 0.000 0.947 804 M CB 1.848 34.544 32.600 0.160 0.000 1.647 804 M HN 0.682 nan 8.290 nan 0.000 0.481 805 A N 1.024 123.886 122.820 0.071 0.000 2.359 805 A HA 0.273 4.604 4.320 0.017 0.000 0.240 805 A C 0.102 177.754 177.584 0.115 0.000 1.306 805 A CA -0.080 52.004 52.037 0.079 0.000 0.898 805 A CB -0.636 18.394 19.000 0.051 0.000 0.956 805 A HN 0.708 nan 8.150 nan 0.000 0.497 806 S N -0.612 115.162 115.700 0.122 0.000 2.758 806 S HA 0.381 4.861 4.470 0.017 0.000 0.292 806 S C 0.770 175.465 174.600 0.159 0.000 1.131 806 S CA -0.659 57.628 58.200 0.146 0.000 0.997 806 S CB 1.133 64.406 63.200 0.122 0.000 1.111 806 S HN 0.366 nan 8.310 nan 0.000 0.552 807 K N 0.638 121.142 120.400 0.174 0.000 2.031 807 K HA 0.036 4.367 4.320 0.017 0.000 0.205 807 K C 0.371 177.036 176.600 0.109 0.000 1.049 807 K CA 0.788 57.160 56.287 0.141 0.000 0.939 807 K CB -0.217 32.376 32.500 0.155 0.000 0.717 807 K HN 0.352 nan 8.250 nan 0.000 0.438 808 K N 1.666 122.138 120.400 0.120 0.000 2.234 808 K HA 0.071 4.401 4.320 0.017 0.000 0.251 808 K C -0.001 176.675 176.600 0.127 0.000 1.011 808 K CA 0.114 56.479 56.287 0.130 0.000 0.889 808 K CB 0.228 32.809 32.500 0.135 0.000 1.011 808 K HN -0.104 nan 8.250 nan 0.000 0.505 809 K N 1.411 121.891 120.400 0.133 0.000 2.842 809 K HA 0.296 4.627 4.320 0.017 0.000 0.176 809 K C -2.656 174.029 176.600 0.142 0.000 1.080 809 K CA -1.758 54.601 56.287 0.121 0.000 0.954 809 K CB 1.007 33.563 32.500 0.094 0.000 1.203 809 K HN 0.360 nan 8.250 nan 0.000 0.611 810 P HA 0.165 nan 4.420 nan 0.000 0.275 810 P C -0.462 176.965 177.300 0.212 0.000 1.227 810 P CA -0.653 62.562 63.100 0.192 0.000 0.781 810 P CB 0.579 32.389 31.700 0.184 0.000 0.906 811 L N 3.714 125.084 121.223 0.245 0.000 2.278 811 L HA 0.260 4.610 4.340 0.017 0.000 0.287 811 L C 0.001 177.071 176.870 0.333 0.000 1.072 811 L CA -0.079 54.915 54.840 0.257 0.000 0.819 811 L CB -0.337 41.855 42.059 0.221 0.000 1.176 811 L HN 0.455 nan 8.230 nan 0.000 0.435 812 W N 7.023 128.400 121.300 0.127 0.000 2.345 812 W HA 0.461 5.131 4.660 0.017 0.000 0.308 812 W C -1.567 175.023 176.519 0.120 0.000 1.273 812 W CA -0.594 56.826 57.345 0.125 0.000 1.243 812 W CB 0.701 30.214 29.460 0.088 0.000 1.260 812 W HN 0.353 nan 8.180 nan 0.000 0.509 813 L N 5.676 126.983 121.223 0.141 0.000 2.370 813 L HA 0.499 4.850 4.340 0.017 0.000 0.266 813 L C -0.268 176.626 176.870 0.040 0.000 1.002 813 L CA -0.905 54.012 54.840 0.128 0.000 0.818 813 L CB 2.585 44.769 42.059 0.209 0.000 1.325 813 L HN 0.301 nan 8.230 nan 0.000 0.418 814 E N 1.396 121.575 120.200 -0.034 0.000 2.340 814 E HA 0.625 4.985 4.350 0.017 0.000 0.273 814 E C -1.823 174.687 176.600 -0.149 0.000 0.891 814 E CA -0.609 55.816 56.400 0.042 0.000 0.757 814 E CB 3.063 32.847 29.700 0.140 0.000 1.231 814 E HN 0.231 nan 8.360 nan 0.000 0.439 815 F N 1.014 121.016 119.950 0.086 0.000 2.578 815 F HA 0.356 4.893 4.527 0.018 0.000 0.311 815 F C 0.095 175.912 175.800 0.028 0.000 1.094 815 F CA -0.988 57.054 58.000 0.069 0.000 0.923 815 F CB 1.678 40.712 39.000 0.055 0.000 1.230 815 F HN 0.088 nan 8.300 nan 0.000 0.450 816 K N 1.241 121.756 120.400 0.191 0.000 2.436 816 K HA 0.180 4.510 4.320 0.017 0.000 0.275 816 K C -0.306 176.341 176.600 0.077 0.000 0.999 816 K CA -0.225 56.127 56.287 0.109 0.000 0.980 816 K CB 0.596 33.143 32.500 0.078 0.000 0.919 816 K HN 0.674 nan 8.250 nan 0.000 0.484 817 C N 2.555 121.867 119.300 0.021 0.000 2.593 817 C HA 0.332 4.803 4.460 0.017 0.000 0.409 817 C C 1.553 176.513 174.990 -0.050 0.000 1.304 817 C CA -0.325 58.666 59.018 -0.044 0.000 2.007 817 C CB -0.581 27.130 27.740 -0.048 0.000 2.614 817 C HN 0.884 nan 8.230 nan 0.000 0.585 818 A N 3.449 126.213 122.820 -0.093 0.000 2.235 818 A HA 0.113 4.444 4.320 0.017 0.000 0.208 818 A C 0.766 178.310 177.584 -0.068 0.000 1.172 818 A CA 0.656 52.650 52.037 -0.073 0.000 0.786 818 A CB -0.321 18.619 19.000 -0.099 0.000 0.804 818 A HN 0.921 nan 8.150 nan 0.000 0.479 819 D N 0.096 120.448 120.400 -0.080 0.000 2.359 819 D HA 0.271 4.922 4.640 0.017 0.000 0.230 819 D C -1.597 174.664 176.300 -0.064 0.000 1.118 819 D CA -1.892 52.058 54.000 -0.083 0.000 0.844 819 D CB 1.557 42.288 40.800 -0.115 0.000 1.059 819 D HN 0.059 nan 8.370 nan 0.000 0.493 820 P HA -0.083 nan 4.420 nan 0.000 0.223 820 P C 0.957 178.229 177.300 -0.046 0.000 1.151 820 P CA 0.855 63.933 63.100 -0.036 0.000 0.787 820 P CB 0.008 31.694 31.700 -0.023 0.000 0.788 821 T N -3.495 111.018 114.554 -0.070 0.000 3.169 821 T HA 0.422 4.783 4.350 0.017 0.000 0.250 821 T C 0.908 175.536 174.700 -0.119 0.000 1.111 821 T CA -0.301 61.742 62.100 -0.094 0.000 1.010 821 T CB -0.655 68.144 68.868 -0.115 0.000 0.984 821 T HN 0.094 nan 8.240 nan 0.000 0.537 822 A N 1.409 124.172 122.820 -0.096 0.000 2.520 822 A HA 0.522 4.852 4.320 0.017 0.000 0.245 822 A C 1.182 178.715 177.584 -0.084 0.000 1.072 822 A CA -0.537 51.447 52.037 -0.089 0.000 0.761 822 A CB -0.044 18.918 19.000 -0.062 0.000 1.004 822 A HN 0.345 nan 8.150 nan 0.000 0.499 823 L N 2.785 123.947 121.223 -0.101 0.000 2.005 823 L HA -0.017 4.334 4.340 0.017 0.000 0.207 823 L C 1.923 178.749 176.870 -0.074 0.000 1.072 823 L CA 1.881 56.642 54.840 -0.131 0.000 0.744 823 L CB -1.298 40.632 42.059 -0.214 0.000 0.895 823 L HN 0.647 nan 8.230 nan 0.000 0.433 824 S N -0.690 114.986 115.700 -0.040 0.000 2.661 824 S HA 0.176 4.656 4.470 0.017 0.000 0.265 824 S C 0.802 175.400 174.600 -0.004 0.000 1.225 824 S CA -0.278 57.916 58.200 -0.011 0.000 0.986 824 S CB 0.398 63.606 63.200 0.014 0.000 1.008 824 S HN 0.405 nan 8.310 nan 0.000 0.565 825 N N -0.382 118.325 118.700 0.012 0.000 2.159 825 N HA 0.180 4.931 4.740 0.017 0.000 0.217 825 N C -0.568 174.964 175.510 0.035 0.000 1.223 825 N CA -0.191 52.870 53.050 0.018 0.000 0.896 825 N CB 0.560 39.057 38.487 0.018 0.000 1.064 825 N HN 0.532 nan 8.380 nan 0.000 0.518 826 E N 1.363 121.589 120.200 0.043 0.000 2.458 826 E HA -0.018 4.342 4.350 0.017 0.000 0.264 826 E C 0.266 176.907 176.600 0.069 0.000 1.097 826 E CA 0.530 56.968 56.400 0.063 0.000 0.973 826 E CB 0.481 30.223 29.700 0.070 0.000 0.963 826 E HN 0.198 nan 8.360 nan 0.000 0.451 827 T N -1.193 113.416 114.554 0.092 0.000 2.934 827 T HA 0.518 4.878 4.350 0.017 0.000 0.283 827 T C 0.209 174.979 174.700 0.115 0.000 1.005 827 T CA -0.803 61.362 62.100 0.109 0.000 1.041 827 T CB 0.624 69.570 68.868 0.128 0.000 1.042 827 T HN 0.257 nan 8.240 nan 0.000 0.505 828 I N 1.934 122.589 120.570 0.142 0.000 2.312 828 I HA 0.461 4.642 4.170 0.017 0.000 0.291 828 I C 1.013 177.261 176.117 0.217 0.000 1.031 828 I CA -0.317 61.067 61.300 0.141 0.000 1.293 828 I CB 0.696 38.734 38.000 0.064 0.000 1.403 828 I HN 0.907 nan 8.210 nan 0.000 0.484 829 G N 7.571 116.438 108.800 0.112 0.000 2.356 829 G HA2 0.782 4.752 3.960 0.017 0.000 0.322 829 G HA3 0.782 4.752 3.960 0.017 0.000 0.322 829 G C -0.671 174.222 174.900 -0.011 0.000 1.125 829 G CA -0.422 44.662 45.100 -0.026 0.000 0.885 829 G HN 0.506 nan 8.290 nan 0.000 0.467 830 I N 2.001 122.574 120.570 0.005 0.000 2.571 830 I HA 0.295 4.476 4.170 0.017 0.000 0.289 830 I C -0.642 175.466 176.117 -0.016 0.000 1.115 830 I CA -0.672 60.668 61.300 0.066 0.000 1.045 830 I CB 2.470 40.649 38.000 0.299 0.000 1.238 830 I HN 0.234 nan 8.210 nan 0.000 0.424 831 I N 5.320 125.826 120.570 -0.107 0.000 2.342 831 I HA 0.273 4.454 4.170 0.017 0.000 0.291 831 I C -0.807 175.312 176.117 0.003 0.000 1.010 831 I CA -0.151 61.148 61.300 -0.001 0.000 1.308 831 I CB 0.849 38.834 38.000 -0.025 0.000 1.400 831 I HN 0.355 nan 8.210 nan 0.000 0.488 832 F N 6.499 126.510 119.950 0.100 0.000 2.411 832 F HA 0.440 4.978 4.527 0.018 0.000 0.352 832 F C 0.026 175.894 175.800 0.114 0.000 1.123 832 F CA -0.466 57.598 58.000 0.107 0.000 1.044 832 F CB 1.327 40.395 39.000 0.113 0.000 1.135 832 F HN 0.343 nan 8.300 nan 0.000 0.461 833 K N 2.184 122.741 120.400 0.261 0.000 2.542 833 K HA 0.475 4.805 4.320 0.017 0.000 0.259 833 K C -2.002 174.731 176.600 0.221 0.000 0.932 833 K CA -0.899 55.525 56.287 0.228 0.000 0.820 833 K CB 1.497 34.094 32.500 0.162 0.000 1.345 833 K HN 0.623 nan 8.250 nan 0.000 0.432 834 H N 0.301 119.451 119.070 0.133 0.000 2.533 834 H HA 0.681 5.248 4.556 0.018 0.000 0.343 834 H C 0.800 176.184 175.328 0.093 0.000 1.160 834 H CA 0.905 57.019 56.048 0.110 0.000 1.218 834 H CB 1.931 31.754 29.762 0.102 0.000 1.566 834 H HN 0.947 nan 8.280 nan 0.000 0.522 835 G N 3.194 111.678 108.800 -0.527 0.000 2.541 835 G HA2 -0.179 3.791 3.960 0.017 0.000 0.201 835 G HA3 -0.179 3.791 3.960 0.017 0.000 0.201 835 G C -0.517 174.299 174.900 -0.139 0.000 1.026 835 G CA 0.059 45.024 45.100 -0.224 0.000 0.687 835 G HN 0.639 nan 8.290 nan 0.000 0.492 836 D N 1.019 121.367 120.400 -0.087 0.000 2.252 836 D HA 0.489 5.140 4.640 0.017 0.000 0.245 836 D C -1.201 175.084 176.300 -0.026 0.000 1.009 836 D CA -0.392 53.595 54.000 -0.021 0.000 0.870 836 D CB 1.739 42.556 40.800 0.030 0.000 1.251 836 D HN 0.064 nan 8.370 nan 0.000 0.460 837 D N 1.897 122.296 120.400 -0.002 0.000 2.359 837 D HA 0.028 4.678 4.640 0.017 0.000 0.250 837 D C 0.764 177.080 176.300 0.026 0.000 1.264 837 D CA -0.333 53.668 54.000 0.002 0.000 0.911 837 D CB 0.729 41.526 40.800 -0.005 0.000 1.056 837 D HN 0.062 nan 8.370 nan 0.000 0.499 838 L N 4.100 125.340 121.223 0.028 0.000 2.552 838 L HA 0.100 4.450 4.340 0.017 0.000 0.227 838 L C 2.223 179.114 176.870 0.034 0.000 1.146 838 L CA 0.735 55.604 54.840 0.047 0.000 0.858 838 L CB -0.428 41.659 42.059 0.047 0.000 0.969 838 L HN 0.344 nan 8.230 nan 0.000 0.451 839 R N -1.083 119.421 120.500 0.007 0.000 2.092 839 R HA -0.160 4.191 4.340 0.017 0.000 0.231 839 R C 2.107 178.389 176.300 -0.031 0.000 1.119 839 R CA 1.157 57.240 56.100 -0.028 0.000 0.970 839 R CB -0.070 30.200 30.300 -0.051 0.000 0.864 839 R HN 0.435 nan 8.270 nan 0.000 0.440 840 Q N 0.372 120.171 119.800 -0.002 0.000 2.050 840 Q HA -0.184 4.166 4.340 0.017 0.000 0.202 840 Q C 1.504 177.533 176.000 0.049 0.000 0.980 840 Q CA 2.032 57.843 55.803 0.014 0.000 0.840 840 Q CB -0.068 28.698 28.738 0.047 0.000 0.898 840 Q HN 0.310 nan 8.270 nan 0.000 0.424 841 D N -0.011 120.457 120.400 0.113 0.000 2.106 841 D HA -0.215 4.435 4.640 0.017 0.000 0.191 841 D C 1.784 178.129 176.300 0.075 0.000 0.997 841 D CA 1.561 55.675 54.000 0.191 0.000 0.834 841 D CB -0.039 40.886 40.800 0.210 0.000 0.956 841 D HN 0.172 nan 8.370 nan 0.000 0.448 842 M N -0.266 119.345 119.600 0.018 0.000 2.088 842 M HA -0.214 4.276 4.480 0.017 0.000 0.256 842 M C 1.884 178.117 176.300 -0.112 0.000 1.071 842 M CA 1.049 56.317 55.300 -0.054 0.000 1.097 842 M CB -0.319 32.227 32.600 -0.091 0.000 1.315 842 M HN 0.119 nan 8.290 nan 0.000 0.406 843 L N 0.177 121.334 121.223 -0.111 0.000 2.012 843 L HA -0.202 4.148 4.340 0.017 0.000 0.210 843 L C 2.391 179.182 176.870 -0.130 0.000 1.073 843 L CA 1.755 56.519 54.840 -0.127 0.000 0.748 843 L CB -1.234 40.760 42.059 -0.109 0.000 0.891 843 L HN 0.295 nan 8.230 nan 0.000 0.431 844 I N -1.089 119.396 120.570 -0.140 0.000 2.226 844 I HA -0.249 3.931 4.170 0.017 0.000 0.245 844 I C 2.415 178.363 176.117 -0.282 0.000 1.100 844 I CA 0.963 62.113 61.300 -0.250 0.000 1.374 844 I CB -1.043 36.696 38.000 -0.436 0.000 1.057 844 I HN 0.183 nan 8.210 nan 0.000 0.413 845 L N 0.142 121.235 121.223 -0.217 0.000 2.093 845 L HA -0.182 4.168 4.340 0.017 0.000 0.208 845 L C 2.503 179.282 176.870 -0.152 0.000 1.085 845 L CA 1.596 56.326 54.840 -0.183 0.000 0.755 845 L CB -1.413 40.551 42.059 -0.157 0.000 0.904 845 L HN 0.274 nan 8.230 nan 0.000 0.435 846 Q N -0.399 119.315 119.800 -0.144 0.000 2.123 846 Q HA -0.074 4.277 4.340 0.017 0.000 0.199 846 Q C 2.166 178.079 176.000 -0.145 0.000 0.966 846 Q CA 1.274 56.996 55.803 -0.135 0.000 0.845 846 Q CB -0.076 28.571 28.738 -0.151 0.000 0.907 846 Q HN 0.431 nan 8.270 nan 0.000 0.439 847 I N -0.108 120.374 120.570 -0.146 0.000 2.226 847 I HA -0.259 3.922 4.170 0.017 0.000 0.245 847 I C 1.678 177.675 176.117 -0.200 0.000 1.100 847 I CA 0.716 61.928 61.300 -0.147 0.000 1.374 847 I CB -0.504 37.434 38.000 -0.104 0.000 1.057 847 I HN 0.250 nan 8.210 nan 0.000 0.413 848 L N 0.721 121.823 121.223 -0.202 0.000 2.079 848 L HA -0.190 4.161 4.340 0.017 0.000 0.210 848 L C 2.668 179.413 176.870 -0.208 0.000 1.081 848 L CA 1.782 56.491 54.840 -0.218 0.000 0.752 848 L CB -0.857 41.097 42.059 -0.176 0.000 0.896 848 L HN 0.149 nan 8.230 nan 0.000 0.433 849 R N -0.956 119.451 120.500 -0.155 0.000 2.075 849 R HA -0.060 4.291 4.340 0.017 0.000 0.232 849 R C 2.295 178.480 176.300 -0.193 0.000 1.126 849 R CA 1.232 57.271 56.100 -0.101 0.000 0.963 849 R CB -0.336 29.954 30.300 -0.017 0.000 0.858 849 R HN 0.314 nan 8.270 nan 0.000 0.435 850 I N 0.590 121.004 120.570 -0.260 0.000 2.286 850 I HA -0.312 3.869 4.170 0.017 0.000 0.248 850 I C 2.403 178.260 176.117 -0.433 0.000 1.115 850 I CA 1.421 62.496 61.300 -0.376 0.000 1.392 850 I CB -0.162 37.655 38.000 -0.305 0.000 1.065 850 I HN 0.226 nan 8.210 nan 0.000 0.418 851 M N -0.268 119.050 119.600 -0.470 0.000 2.229 851 M HA -0.189 4.302 4.480 0.017 0.000 0.264 851 M C 2.118 177.887 176.300 -0.884 0.000 1.063 851 M CA 1.640 56.470 55.300 -0.784 0.000 1.114 851 M CB -0.278 31.817 32.600 -0.841 0.000 1.387 851 M HN 0.199 nan 8.290 nan 0.000 0.420 852 E N -0.172 119.769 120.200 -0.432 0.000 2.072 852 E HA -0.144 4.217 4.350 0.017 0.000 0.190 852 E C 2.083 178.625 176.600 -0.098 0.000 0.982 852 E CA 1.548 57.880 56.400 -0.113 0.000 0.803 852 E CB -0.038 29.656 29.700 -0.009 0.000 0.755 852 E HN 0.500 nan 8.360 nan 0.000 0.453 853 S N 0.981 116.544 115.700 -0.228 0.000 2.383 853 S HA -0.174 4.306 4.470 0.017 0.000 0.229 853 S C 2.025 176.491 174.600 -0.223 0.000 1.030 853 S CA 0.875 58.922 58.200 -0.254 0.000 1.002 853 S CB -0.426 62.452 63.200 -0.537 0.000 0.829 853 S HN 0.177 nan 8.310 nan 0.000 0.467 854 I N -0.359 120.001 120.570 -0.350 0.000 2.252 854 I HA -0.079 4.102 4.170 0.017 0.000 0.245 854 I C 2.279 178.367 176.117 -0.049 0.000 1.102 854 I CA 1.024 62.115 61.300 -0.350 0.000 1.385 854 I CB -0.329 37.331 38.000 -0.567 0.000 1.064 854 I HN 0.362 nan 8.210 nan 0.000 0.414 855 W N 1.168 122.434 121.300 -0.056 0.000 2.465 855 W HA -0.124 4.547 4.660 0.017 0.000 0.268 855 W C 2.462 179.007 176.519 0.043 0.000 1.242 855 W CA 0.995 58.332 57.345 -0.012 0.000 1.248 855 W CB -0.766 28.663 29.460 -0.053 0.000 1.118 855 W HN 0.331 nan 8.180 nan 0.000 0.587 856 E N 0.381 120.722 120.200 0.235 0.000 2.107 856 E HA -0.171 4.190 4.350 0.017 0.000 0.191 856 E C 2.109 178.795 176.600 0.144 0.000 0.982 856 E CA 2.027 58.557 56.400 0.216 0.000 0.809 856 E CB -0.196 29.584 29.700 0.133 0.000 0.756 856 E HN 0.087 nan 8.360 nan 0.000 0.459 857 T N -1.190 113.426 114.554 0.104 0.000 3.025 857 T HA -0.108 4.253 4.350 0.017 0.000 0.270 857 T C 0.863 175.638 174.700 0.125 0.000 1.126 857 T CA 1.130 63.289 62.100 0.097 0.000 1.105 857 T CB -0.132 68.800 68.868 0.107 0.000 0.884 857 T HN 0.252 nan 8.240 nan 0.000 0.522 858 E N 0.672 120.974 120.200 0.170 0.000 2.887 858 E HA 0.302 4.663 4.350 0.017 0.000 0.206 858 E C 0.001 176.700 176.600 0.166 0.000 0.983 858 E CA -0.136 56.360 56.400 0.160 0.000 1.141 858 E CB 0.487 30.303 29.700 0.193 0.000 1.061 858 E HN 0.439 nan 8.360 nan 0.000 0.468 859 S N 0.388 116.205 115.700 0.195 0.000 3.521 859 S HA -0.212 4.269 4.470 0.017 0.000 0.328 859 S C 0.276 175.095 174.600 0.366 0.000 1.165 859 S CA 0.579 58.945 58.200 0.277 0.000 0.941 859 S CB -1.664 61.634 63.200 0.164 0.000 0.951 859 S HN 0.375 nan 8.310 nan 0.000 0.539 860 L N 1.604 122.971 121.223 0.241 0.000 2.325 860 L HA 0.596 4.946 4.340 0.017 0.000 0.279 860 L C 0.157 176.931 176.870 -0.160 0.000 1.054 860 L CA -0.367 54.480 54.840 0.011 0.000 0.804 860 L CB 0.971 42.964 42.059 -0.109 0.000 1.200 860 L HN 0.091 nan 8.230 nan 0.000 0.436 861 D N 3.159 123.251 120.400 -0.514 0.000 2.505 861 D HA 0.222 4.873 4.640 0.017 0.000 0.250 861 D C 0.015 176.052 176.300 -0.438 0.000 1.164 861 D CA -0.401 53.208 54.000 -0.652 0.000 0.870 861 D CB 1.518 41.574 40.800 -1.240 0.000 1.160 861 D HN 0.231 nan 8.370 nan 0.000 0.549 862 L N 2.691 123.764 121.223 -0.250 0.000 2.607 862 L HA 0.138 4.489 4.340 0.017 0.000 0.228 862 L C 0.725 177.546 176.870 -0.082 0.000 1.123 862 L CA 0.143 54.868 54.840 -0.192 0.000 0.890 862 L CB -1.241 40.608 42.059 -0.350 0.000 1.103 862 L HN 0.657 nan 8.230 nan 0.000 0.468 863 C N 0.276 119.518 119.300 -0.097 0.000 4.235 863 C HA -0.193 4.277 4.460 0.017 0.000 0.301 863 C C 1.347 176.387 174.990 0.083 0.000 1.409 863 C CA -0.552 58.447 59.018 -0.031 0.000 2.024 863 C CB -3.420 24.301 27.740 -0.032 0.000 1.286 863 C HN 0.311 nan 8.230 nan 0.000 0.746 864 L N -0.524 120.735 121.223 0.060 0.000 2.479 864 L HA 0.286 4.637 4.340 0.017 0.000 0.270 864 L C 0.767 177.761 176.870 0.207 0.000 1.236 864 L CA 0.251 55.153 54.840 0.104 0.000 0.823 864 L CB 0.206 42.199 42.059 -0.111 0.000 1.098 864 L HN 0.409 nan 8.230 nan 0.000 0.500 865 L N 2.954 124.402 121.223 0.374 0.000 2.529 865 L HA 0.299 4.649 4.340 0.017 0.000 0.246 865 L C -2.174 174.838 176.870 0.238 0.000 1.394 865 L CA -1.355 53.591 54.840 0.177 0.000 0.906 865 L CB 1.152 43.146 42.059 -0.107 0.000 1.170 865 L HN 0.329 nan 8.230 nan 0.000 0.501 866 P HA 0.101 nan 4.420 nan 0.000 0.260 866 P C -0.793 176.491 177.300 -0.026 0.000 1.651 866 P CA -0.109 63.012 63.100 0.035 0.000 1.139 866 P CB -0.534 31.165 31.700 -0.001 0.000 1.756 867 Y N 0.503 120.862 120.300 0.098 0.000 2.426 867 Y HA 0.480 5.040 4.550 0.018 0.000 0.344 867 Y C 1.052 176.927 175.900 -0.042 0.000 1.256 867 Y CA -1.201 56.895 58.100 -0.006 0.000 1.451 867 Y CB -0.387 38.059 38.460 -0.024 0.000 1.342 867 Y HN 0.319 nan 8.280 nan 0.000 0.600 868 G N 0.117 108.909 108.800 -0.014 0.000 2.491 868 G HA2 0.324 4.294 3.960 0.017 0.000 0.238 868 G HA3 0.324 4.294 3.960 0.017 0.000 0.238 868 G C -1.191 173.631 174.900 -0.129 0.000 1.277 868 G CA 0.017 45.015 45.100 -0.170 0.000 0.851 868 G HN 1.173 nan 8.290 nan 0.000 0.573 869 C N 3.413 122.719 119.300 0.009 0.000 3.135 869 C HA 0.516 4.987 4.460 0.017 0.000 0.428 869 C C -1.325 173.726 174.990 0.103 0.000 0.972 869 C CA -0.981 58.069 59.018 0.054 0.000 1.218 869 C CB -0.168 27.637 27.740 0.107 0.000 1.595 869 C HN 0.642 nan 8.230 nan 0.000 0.576 870 I N 4.887 125.496 120.570 0.065 0.000 2.534 870 I HA 0.312 4.493 4.170 0.017 0.000 0.288 870 I C 0.338 176.478 176.117 0.039 0.000 1.077 870 I CA 0.012 61.361 61.300 0.082 0.000 1.051 870 I CB 1.926 39.922 38.000 -0.006 0.000 1.234 870 I HN 0.721 nan 8.210 nan 0.000 0.425 871 S N 3.163 118.910 115.700 0.078 0.000 2.528 871 S HA 0.278 4.759 4.470 0.017 0.000 0.277 871 S C 1.123 175.795 174.600 0.121 0.000 1.297 871 S CA -0.006 58.238 58.200 0.073 0.000 1.052 871 S CB 0.481 63.712 63.200 0.052 0.000 0.917 871 S HN 0.802 nan 8.310 nan 0.000 0.492 872 T N 2.105 116.738 114.554 0.131 0.000 3.026 872 T HA 0.465 4.825 4.350 0.017 0.000 0.245 872 T C 0.868 175.678 174.700 0.182 0.000 1.004 872 T CA 0.266 62.494 62.100 0.214 0.000 1.069 872 T CB 0.031 69.035 68.868 0.227 0.000 1.005 872 T HN 0.699 nan 8.240 nan 0.000 0.472 873 G N 0.465 109.352 108.800 0.145 0.000 2.911 873 G HA2 0.491 4.462 3.960 0.017 0.000 0.299 873 G HA3 0.491 4.462 3.960 0.017 0.000 0.299 873 G C -1.908 173.052 174.900 0.100 0.000 1.283 873 G CA -0.672 44.503 45.100 0.124 0.000 0.805 873 G HN 0.096 nan 8.290 nan 0.000 0.548 874 D N 0.855 121.318 120.400 0.104 0.000 2.363 874 D HA 0.215 4.866 4.640 0.017 0.000 0.263 874 D C 0.622 176.959 176.300 0.061 0.000 1.258 874 D CA 0.300 54.350 54.000 0.083 0.000 0.907 874 D CB 0.177 41.035 40.800 0.097 0.000 1.107 874 D HN 0.421 nan 8.370 nan 0.000 0.495 875 K N 1.777 122.174 120.400 -0.006 0.000 3.016 875 K HA -0.236 4.095 4.320 0.017 0.000 0.262 875 K C -0.252 176.280 176.600 -0.113 0.000 1.043 875 K CA 0.523 56.742 56.287 -0.114 0.000 0.761 875 K CB -1.627 30.713 32.500 -0.266 0.000 1.230 875 K HN 0.575 nan 8.250 nan 0.000 0.485 876 I N -1.340 119.256 120.570 0.044 0.000 2.752 876 I HA 0.597 4.778 4.170 0.017 0.000 0.295 876 I C 0.039 176.232 176.117 0.126 0.000 1.219 876 I CA -0.130 61.250 61.300 0.133 0.000 1.030 876 I CB 2.118 40.274 38.000 0.260 0.000 1.259 876 I HN 0.201 nan 8.210 nan 0.000 0.423 877 G N 6.040 114.909 108.800 0.115 0.000 2.325 877 G HA2 0.394 4.364 3.960 0.017 0.000 0.295 877 G HA3 0.394 4.364 3.960 0.017 0.000 0.295 877 G C -1.771 173.038 174.900 -0.152 0.000 1.274 877 G CA -0.804 44.309 45.100 0.021 0.000 0.857 877 G HN 0.662 nan 8.290 nan 0.000 0.499 878 M N -0.633 118.795 119.600 -0.285 0.000 2.598 878 M HA 0.891 5.382 4.480 0.017 0.000 0.317 878 M C -0.944 175.234 176.300 -0.203 0.000 1.179 878 M CA -0.828 54.191 55.300 -0.468 0.000 0.936 878 M CB 2.395 34.581 32.600 -0.690 0.000 1.713 878 M HN 0.337 nan 8.290 nan 0.000 0.460 879 I N 0.458 120.906 120.570 -0.203 0.000 2.571 879 I HA 0.257 4.437 4.170 0.017 0.000 0.289 879 I C -0.549 175.387 176.117 -0.302 0.000 1.115 879 I CA -0.568 60.632 61.300 -0.166 0.000 1.045 879 I CB 2.234 40.184 38.000 -0.083 0.000 1.238 879 I HN 0.829 nan 8.210 nan 0.000 0.424 880 E N 6.375 126.227 120.200 -0.580 0.000 2.480 880 E HA 0.115 4.475 4.350 0.017 0.000 0.258 880 E C -0.625 175.784 176.600 -0.318 0.000 0.984 880 E CA -0.102 55.928 56.400 -0.616 0.000 0.930 880 E CB 0.706 29.928 29.700 -0.797 0.000 0.936 880 E HN 0.442 nan 8.360 nan 0.000 0.466 881 I N 5.280 125.682 120.570 -0.279 0.000 2.452 881 I HA -0.011 4.169 4.170 0.017 0.000 0.287 881 I C -0.100 175.927 176.117 -0.148 0.000 1.079 881 I CA -0.351 60.744 61.300 -0.341 0.000 1.387 881 I CB 0.979 38.559 38.000 -0.700 0.000 1.404 881 I HN 0.306 nan 8.210 nan 0.000 0.522 882 V N 7.930 127.804 119.914 -0.067 0.000 2.498 882 V HA 0.161 4.292 4.120 0.017 0.000 0.279 882 V C 0.500 176.664 176.094 0.117 0.000 1.048 882 V CA -0.771 61.533 62.300 0.006 0.000 0.967 882 V CB 1.050 32.846 31.823 -0.046 0.000 0.988 882 V HN 0.528 nan 8.190 nan 0.000 0.473 883 K N 2.905 123.372 120.400 0.113 0.000 2.258 883 K HA 0.139 4.470 4.320 0.017 0.000 0.264 883 K C 0.430 177.148 176.600 0.196 0.000 1.007 883 K CA -0.057 56.330 56.287 0.165 0.000 0.941 883 K CB 0.105 32.683 32.500 0.130 0.000 0.966 883 K HN 0.774 nan 8.250 nan 0.000 0.480 884 D N -0.694 119.838 120.400 0.220 0.000 2.708 884 D HA -0.214 4.436 4.640 0.017 0.000 0.236 884 D C -0.659 175.822 176.300 0.301 0.000 1.146 884 D CA 1.087 55.223 54.000 0.227 0.000 0.662 884 D CB -0.887 40.016 40.800 0.172 0.000 1.059 884 D HN 0.561 nan 8.370 nan 0.000 0.428 885 A N 0.356 123.369 122.820 0.321 0.000 2.365 885 A HA 0.787 5.117 4.320 0.017 0.000 0.318 885 A C 0.419 178.152 177.584 0.249 0.000 1.091 885 A CA 0.037 52.281 52.037 0.345 0.000 0.763 885 A CB 2.097 21.363 19.000 0.443 0.000 1.248 885 A HN 0.200 nan 8.150 nan 0.000 0.442 886 T N -1.337 113.298 114.554 0.135 0.000 2.900 886 T HA 0.652 5.013 4.350 0.017 0.000 0.303 886 T C -0.034 174.575 174.700 -0.152 0.000 1.142 886 T CA -0.456 61.644 62.100 -0.001 0.000 1.007 886 T CB 1.227 70.090 68.868 -0.008 0.000 1.156 886 T HN 0.532 nan 8.240 nan 0.000 0.490 887 T N 2.145 116.606 114.554 -0.154 0.000 2.900 887 T HA 0.211 4.571 4.350 0.017 0.000 0.307 887 T C 1.476 176.042 174.700 -0.222 0.000 1.065 887 T CA -0.263 61.717 62.100 -0.200 0.000 1.105 887 T CB 0.260 69.033 68.868 -0.158 0.000 0.979 887 T HN 0.538 nan 8.240 nan 0.000 0.544 888 I N 2.507 122.965 120.570 -0.187 0.000 2.252 888 I HA -0.088 4.092 4.170 0.017 0.000 0.245 888 I C 2.476 178.545 176.117 -0.081 0.000 1.102 888 I CA 1.304 62.536 61.300 -0.114 0.000 1.385 888 I CB -0.810 37.219 38.000 0.048 0.000 1.064 888 I HN 0.831 nan 8.210 nan 0.000 0.414 889 A N -0.090 122.675 122.820 -0.092 0.000 1.884 889 A HA -0.345 3.986 4.320 0.017 0.000 0.219 889 A C 2.356 179.914 177.584 -0.043 0.000 1.197 889 A CA 2.338 54.351 52.037 -0.039 0.000 0.637 889 A CB -0.699 18.243 19.000 -0.096 0.000 0.827 889 A HN 0.288 nan 8.150 nan 0.000 0.450 890 K N -0.366 119.983 120.400 -0.085 0.000 2.026 890 K HA -0.016 4.314 4.320 0.017 0.000 0.208 890 K C 1.704 178.249 176.600 -0.092 0.000 1.048 890 K CA 1.553 57.794 56.287 -0.077 0.000 0.929 890 K CB -0.445 32.007 32.500 -0.079 0.000 0.713 890 K HN 0.552 nan 8.250 nan 0.000 0.439 891 I N 0.891 121.353 120.570 -0.179 0.000 2.315 891 I HA -0.342 3.839 4.170 0.017 0.000 0.251 891 I C 2.200 178.267 176.117 -0.082 0.000 1.125 891 I CA 1.203 62.365 61.300 -0.231 0.000 1.392 891 I CB -0.176 37.516 38.000 -0.513 0.000 1.065 891 I HN 0.299 nan 8.210 nan 0.000 0.424 892 Q N 0.161 119.934 119.800 -0.046 0.000 2.187 892 Q HA -0.144 4.207 4.340 0.017 0.000 0.199 892 Q C 1.882 177.833 176.000 -0.082 0.000 0.957 892 Q CA 1.096 56.888 55.803 -0.018 0.000 0.857 892 Q CB -0.067 28.719 28.738 0.080 0.000 0.929 892 Q HN 0.632 nan 8.270 nan 0.000 0.453 893 Q N -0.045 119.707 119.800 -0.079 0.000 2.403 893 Q HA 0.013 4.364 4.340 0.017 0.000 0.203 893 Q C 1.872 177.833 176.000 -0.064 0.000 0.932 893 Q CA 0.578 56.322 55.803 -0.098 0.000 0.945 893 Q CB 0.272 28.966 28.738 -0.074 0.000 1.045 893 Q HN 0.196 nan 8.270 nan 0.000 0.511 894 S N -0.024 115.654 115.700 -0.036 0.000 2.406 894 S HA -0.113 4.367 4.470 0.017 0.000 0.224 894 S C 2.081 176.674 174.600 -0.012 0.000 1.030 894 S CA 1.324 59.520 58.200 -0.006 0.000 0.958 894 S CB -0.207 63.018 63.200 0.040 0.000 0.811 894 S HN 0.442 nan 8.310 nan 0.000 0.489 895 T N 0.831 115.374 114.554 -0.018 0.000 2.701 895 T HA 0.011 4.371 4.350 0.017 0.000 0.263 895 T C 1.824 176.492 174.700 -0.054 0.000 1.040 895 T CA 1.732 63.818 62.100 -0.023 0.000 1.147 895 T CB -0.770 68.088 68.868 -0.016 0.000 0.865 895 T HN 0.450 nan 8.240 nan 0.000 0.426 896 V N -1.495 118.367 119.914 -0.088 0.000 2.996 896 V HA 0.600 4.731 4.120 0.017 0.000 0.235 896 V C 1.632 177.654 176.094 -0.119 0.000 1.205 896 V CA -0.049 62.185 62.300 -0.110 0.000 1.225 896 V CB -1.391 30.343 31.823 -0.150 0.000 0.995 896 V HN 0.773 nan 8.190 nan 0.000 0.484 897 G N 2.189 110.904 108.800 -0.142 0.000 2.415 897 G HA2 -0.243 3.727 3.960 0.017 0.000 0.283 897 G HA3 -0.243 3.727 3.960 0.017 0.000 0.283 897 G C -0.367 174.431 174.900 -0.169 0.000 1.014 897 G CA 0.766 45.782 45.100 -0.141 0.000 1.323 897 G HN 0.682 nan 8.290 nan 0.000 0.502 898 N N -0.891 117.654 118.700 -0.259 0.000 3.100 898 N HA 0.566 5.316 4.740 0.017 0.000 0.344 898 N C 0.149 175.448 175.510 -0.352 0.000 1.413 898 N CA -0.833 52.052 53.050 -0.276 0.000 0.752 898 N CB 1.174 39.475 38.487 -0.310 0.000 1.519 898 N HN 0.050 nan 8.380 nan 0.000 0.620 899 T N 0.337 114.699 114.554 -0.321 0.000 3.843 899 T HA 0.277 4.638 4.350 0.017 0.000 0.227 899 T C 0.802 175.187 174.700 -0.525 0.000 1.043 899 T CA 0.592 62.500 62.100 -0.320 0.000 1.012 899 T CB -1.031 67.755 68.868 -0.137 0.000 1.279 899 T HN 0.802 nan 8.240 nan 0.000 0.730 900 G N 1.191 109.339 108.800 -1.087 0.000 2.176 900 G HA2 -0.156 3.815 3.960 0.017 0.000 0.253 900 G HA3 -0.156 3.815 3.960 0.017 0.000 0.253 900 G C 0.448 174.795 174.900 -0.921 0.000 0.979 900 G CA -0.130 44.174 45.100 -1.327 0.000 0.641 900 G HN 0.962 nan 8.290 nan 0.000 0.530 901 A N -0.708 121.670 122.820 -0.737 0.000 2.521 901 A HA 0.639 4.970 4.320 0.017 0.000 0.237 901 A C -0.024 176.885 177.584 -1.125 0.000 1.087 901 A CA 0.947 52.589 52.037 -0.658 0.000 0.777 901 A CB 0.190 18.924 19.000 -0.442 0.000 1.035 901 A HN 1.109 nan 8.150 nan 0.000 0.510 902 F N -1.029 118.580 119.950 -0.568 0.000 2.678 902 F HA 0.455 4.993 4.527 0.018 0.000 0.308 902 F C -0.006 175.381 175.800 -0.688 0.000 1.118 902 F CA -0.637 56.857 58.000 -0.843 0.000 0.959 902 F CB 2.374 40.306 39.000 -1.781 0.000 1.305 902 F HN 0.451 nan 8.300 nan 0.000 0.443 903 K N 1.100 121.343 120.400 -0.262 0.000 2.397 903 K HA 0.308 4.639 4.320 0.017 0.000 0.253 903 K C -0.811 175.814 176.600 0.043 0.000 0.932 903 K CA -0.784 55.433 56.287 -0.116 0.000 0.795 903 K CB 2.144 34.591 32.500 -0.089 0.000 1.159 903 K HN 0.487 nan 8.250 nan 0.000 0.424 904 D N 1.819 122.252 120.400 0.055 0.000 2.224 904 D HA -0.110 4.540 4.640 0.017 0.000 0.205 904 D C 0.633 176.771 176.300 -0.269 0.000 0.965 904 D CA 1.356 55.402 54.000 0.077 0.000 0.852 904 D CB 0.410 41.234 40.800 0.040 0.000 0.947 904 D HN 0.547 nan 8.370 nan 0.000 0.494 905 E N -0.544 119.360 120.200 -0.494 0.000 2.431 905 E HA 0.082 4.443 4.350 0.017 0.000 0.200 905 E C 1.829 178.171 176.600 -0.430 0.000 0.995 905 E CA -0.035 55.782 56.400 -0.971 0.000 0.915 905 E CB 0.167 29.244 29.700 -1.038 0.000 0.930 905 E HN -0.017 nan 8.360 nan 0.000 0.496 906 V N 1.383 121.228 119.914 -0.115 0.000 2.594 906 V HA -0.207 3.924 4.120 0.017 0.000 0.253 906 V C 2.085 178.273 176.094 0.156 0.000 1.069 906 V CA 1.346 63.696 62.300 0.083 0.000 1.082 906 V CB -0.322 31.553 31.823 0.087 0.000 0.680 906 V HN 0.354 nan 8.190 nan 0.000 0.469 907 L N 0.003 121.300 121.223 0.124 0.000 2.044 907 L HA -0.163 4.188 4.340 0.017 0.000 0.205 907 L C 2.494 179.500 176.870 0.227 0.000 1.075 907 L CA 1.728 56.665 54.840 0.161 0.000 0.747 907 L CB -0.498 41.632 42.059 0.119 0.000 0.903 907 L HN 0.449 nan 8.230 nan 0.000 0.435 908 N N -0.685 118.133 118.700 0.196 0.000 2.166 908 N HA -0.245 4.506 4.740 0.017 0.000 0.186 908 N C 1.678 177.361 175.510 0.288 0.000 1.019 908 N CA 1.416 54.628 53.050 0.269 0.000 0.856 908 N CB -0.040 38.674 38.487 0.378 0.000 0.993 908 N HN 0.530 nan 8.380 nan 0.000 0.426 909 H N -2.126 117.089 119.070 0.241 0.000 2.395 909 H HA -0.107 4.460 4.556 0.018 0.000 0.299 909 H C 1.564 176.999 175.328 0.178 0.000 1.070 909 H CA 1.049 57.189 56.048 0.154 0.000 1.356 909 H CB -0.051 29.776 29.762 0.107 0.000 1.401 909 H HN 0.362 nan 8.280 nan 0.000 0.524 910 W N 1.338 122.752 121.300 0.190 0.000 2.363 910 W HA -0.143 4.527 4.660 0.018 0.000 0.296 910 W C 1.619 178.223 176.519 0.142 0.000 1.212 910 W CA 1.184 58.607 57.345 0.131 0.000 1.260 910 W CB -0.265 29.258 29.460 0.105 0.000 1.131 910 W HN 0.072 nan 8.180 nan 0.000 0.530 911 L N 0.578 122.035 121.223 0.390 0.000 2.027 911 L HA -0.216 4.135 4.340 0.017 0.000 0.206 911 L C 2.529 179.560 176.870 0.268 0.000 1.074 911 L CA 1.713 56.739 54.840 0.310 0.000 0.745 911 L CB -0.999 41.315 42.059 0.425 0.000 0.898 911 L HN -0.136 nan 8.230 nan 0.000 0.433 912 K N 0.613 121.151 120.400 0.229 0.000 2.103 912 K HA -0.241 4.089 4.320 0.017 0.000 0.207 912 K C 1.963 178.523 176.600 -0.067 0.000 1.048 912 K CA 1.538 57.774 56.287 -0.084 0.000 0.930 912 K CB -0.237 32.032 32.500 -0.385 0.000 0.716 912 K HN 0.236 nan 8.250 nan 0.000 0.444 913 E N 0.062 120.213 120.200 -0.082 0.000 2.085 913 E HA -0.201 4.159 4.350 0.017 0.000 0.194 913 E C 1.042 177.529 176.600 -0.189 0.000 0.994 913 E CA 1.122 57.438 56.400 -0.139 0.000 0.801 913 E CB 0.125 29.726 29.700 -0.165 0.000 0.743 913 E HN 0.141 nan 8.360 nan 0.000 0.453 914 K N 0.305 120.537 120.400 -0.279 0.000 2.426 914 K HA 0.080 4.411 4.320 0.017 0.000 0.193 914 K C 0.289 176.815 176.600 -0.123 0.000 1.028 914 K CA 0.151 56.261 56.287 -0.295 0.000 1.047 914 K CB 0.716 32.876 32.500 -0.566 0.000 0.821 914 K HN -0.055 nan 8.250 nan 0.000 0.513 915 S N 2.376 118.055 115.700 -0.035 0.000 2.448 915 S HA 0.248 4.728 4.470 0.017 0.000 0.320 915 S C -2.070 172.541 174.600 0.018 0.000 1.071 915 S CA -1.255 56.967 58.200 0.038 0.000 1.113 915 S CB 1.666 64.968 63.200 0.170 0.000 0.972 915 S HN -0.094 nan 8.310 nan 0.000 0.465 916 P HA -0.071 nan 4.420 nan 0.000 0.218 916 P C 0.669 177.975 177.300 0.009 0.000 1.146 916 P CA 1.205 64.305 63.100 -0.001 0.000 0.813 916 P CB -0.032 31.669 31.700 0.001 0.000 0.778 917 T N -5.059 109.513 114.554 0.031 0.000 2.907 917 T HA 0.316 4.676 4.350 0.017 0.000 0.292 917 T C 0.849 175.596 174.700 0.077 0.000 1.043 917 T CA -0.852 61.271 62.100 0.038 0.000 1.003 917 T CB 1.952 70.842 68.868 0.037 0.000 1.084 917 T HN -0.211 nan 8.240 nan 0.000 0.483 918 E N 0.514 120.753 120.200 0.066 0.000 2.209 918 E HA -0.193 4.168 4.350 0.017 0.000 0.196 918 E C 1.641 178.345 176.600 0.173 0.000 0.993 918 E CA 1.126 57.599 56.400 0.120 0.000 0.819 918 E CB 0.062 29.803 29.700 0.068 0.000 0.745 918 E HN 0.889 nan 8.360 nan 0.000 0.477 919 E N 1.176 121.441 120.200 0.108 0.000 2.012 919 E HA -0.228 4.132 4.350 0.017 0.000 0.197 919 E C 1.820 178.476 176.600 0.094 0.000 1.007 919 E CA 1.453 57.906 56.400 0.089 0.000 0.816 919 E CB 0.081 29.815 29.700 0.057 0.000 0.762 919 E HN 0.085 nan 8.360 nan 0.000 0.451 920 K N -0.241 120.212 120.400 0.088 0.000 2.147 920 K HA -0.160 4.170 4.320 0.017 0.000 0.205 920 K C 1.978 178.634 176.600 0.095 0.000 1.049 920 K CA 1.324 57.655 56.287 0.073 0.000 0.936 920 K CB -0.345 32.191 32.500 0.061 0.000 0.722 920 K HN 0.174 nan 8.250 nan 0.000 0.446 921 F N 2.165 122.121 119.950 0.010 0.000 2.134 921 F HA -0.229 4.309 4.527 0.018 0.000 0.299 921 F C 2.166 177.975 175.800 0.015 0.000 1.097 921 F CA 1.497 59.503 58.000 0.010 0.000 1.264 921 F CB 0.015 39.020 39.000 0.009 0.000 1.001 921 F HN -0.014 nan 8.300 nan 0.000 0.479 922 Q N 0.360 120.168 119.800 0.013 0.000 2.167 922 Q HA -0.068 4.283 4.340 0.017 0.000 0.202 922 Q C 2.485 178.426 176.000 -0.098 0.000 0.970 922 Q CA 1.247 57.003 55.803 -0.080 0.000 0.855 922 Q CB -0.894 27.890 28.738 0.078 0.000 0.911 922 Q HN 0.548 nan 8.270 nan 0.000 0.438 923 A N 0.874 123.670 122.820 -0.040 0.000 1.972 923 A HA -0.056 4.275 4.320 0.017 0.000 0.219 923 A C 2.280 179.830 177.584 -0.056 0.000 1.169 923 A CA 1.682 53.705 52.037 -0.023 0.000 0.635 923 A CB -0.462 18.540 19.000 0.004 0.000 0.810 923 A HN 0.347 nan 8.150 nan 0.000 0.446 924 A N -0.544 122.201 122.820 -0.124 0.000 1.872 924 A HA 0.042 4.373 4.320 0.017 0.000 0.214 924 A C 2.144 179.617 177.584 -0.186 0.000 1.187 924 A CA 1.633 53.592 52.037 -0.130 0.000 0.614 924 A CB -0.861 18.052 19.000 -0.146 0.000 0.826 924 A HN 0.406 nan 8.150 nan 0.000 0.442 925 V N 0.185 119.843 119.914 -0.425 0.000 2.626 925 V HA -0.223 3.908 4.120 0.017 0.000 0.252 925 V C 2.425 178.396 176.094 -0.205 0.000 1.067 925 V CA 2.272 64.328 62.300 -0.407 0.000 1.081 925 V CB -0.740 30.692 31.823 -0.652 0.000 0.686 925 V HN 0.748 nan 8.190 nan 0.000 0.468 926 E N 1.057 121.174 120.200 -0.138 0.000 2.001 926 E HA -0.252 4.109 4.350 0.017 0.000 0.195 926 E C 2.395 179.088 176.600 0.155 0.000 1.002 926 E CA 1.715 58.122 56.400 0.012 0.000 0.819 926 E CB -0.340 29.402 29.700 0.070 0.000 0.769 926 E HN 0.384 nan 8.360 nan 0.000 0.454 927 R N -0.947 119.641 120.500 0.146 0.000 2.133 927 R HA -0.214 4.136 4.340 0.017 0.000 0.247 927 R C 2.318 178.717 176.300 0.165 0.000 1.151 927 R CA 1.826 58.023 56.100 0.161 0.000 0.971 927 R CB -0.592 29.767 30.300 0.098 0.000 0.866 927 R HN 0.337 nan 8.270 nan 0.000 0.447 928 F N 0.044 119.994 119.950 -0.000 0.000 2.134 928 F HA -0.172 4.365 4.527 0.018 0.000 0.299 928 F C 1.870 177.663 175.800 -0.013 0.000 1.097 928 F CA 1.340 59.323 58.000 -0.028 0.000 1.264 928 F CB -0.162 38.783 39.000 -0.092 0.000 1.001 928 F HN -0.181 nan 8.300 nan 0.000 0.479 929 V N -0.411 119.547 119.914 0.074 0.000 2.295 929 V HA -0.333 3.798 4.120 0.017 0.000 0.246 929 V C 2.058 178.095 176.094 -0.096 0.000 1.049 929 V CA 2.189 64.483 62.300 -0.009 0.000 1.024 929 V CB -1.063 30.730 31.823 -0.050 0.000 0.648 929 V HN 0.374 nan 8.190 nan 0.000 0.447 930 Y N 1.329 121.591 120.300 -0.063 0.000 2.114 930 Y HA -0.257 4.304 4.550 0.017 0.000 0.284 930 Y C 2.975 178.796 175.900 -0.133 0.000 1.143 930 Y CA 2.023 60.047 58.100 -0.127 0.000 1.135 930 Y CB -0.607 37.771 38.460 -0.136 0.000 0.980 930 Y HN 0.395 nan 8.280 nan 0.000 0.499 931 S N -1.260 114.485 115.700 0.076 0.000 2.356 931 S HA -0.272 4.209 4.470 0.017 0.000 0.223 931 S C 2.164 176.802 174.600 0.063 0.000 1.032 931 S CA 1.082 59.340 58.200 0.097 0.000 1.005 931 S CB -1.396 61.885 63.200 0.134 0.000 0.867 931 S HN 0.600 nan 8.310 nan 0.000 0.449 932 C N 2.226 121.405 119.300 -0.201 0.000 2.401 932 C HA -0.009 4.461 4.460 0.017 0.000 0.276 932 C C 3.153 178.180 174.990 0.061 0.000 1.233 932 C CA 1.138 60.033 59.018 -0.205 0.000 1.753 932 C CB -1.839 25.576 27.740 -0.542 0.000 2.029 932 C HN 0.719 nan 8.230 nan 0.000 0.478 933 A N 0.062 122.882 122.820 -0.000 0.000 1.897 933 A HA 0.151 4.481 4.320 0.017 0.000 0.215 933 A C 2.472 179.909 177.584 -0.244 0.000 1.181 933 A CA 1.989 53.900 52.037 -0.211 0.000 0.620 933 A CB -1.500 17.248 19.000 -0.420 0.000 0.821 933 A HN 0.664 nan 8.150 nan 0.000 0.443 934 G N -1.226 107.446 108.800 -0.214 0.000 2.491 934 G HA2 -0.290 3.680 3.960 0.017 0.000 0.218 934 G HA3 -0.290 3.680 3.960 0.017 0.000 0.218 934 G C 1.480 176.295 174.900 -0.143 0.000 1.180 934 G CA 1.401 46.352 45.100 -0.248 0.000 0.774 934 G HN 0.564 nan 8.290 nan 0.000 0.562 935 Y N -0.092 120.190 120.300 -0.031 0.000 2.314 935 Y HA -0.050 4.511 4.550 0.018 0.000 0.293 935 Y C 3.118 178.942 175.900 -0.127 0.000 1.129 935 Y CA 0.608 58.658 58.100 -0.082 0.000 1.201 935 Y CB -0.296 38.101 38.460 -0.105 0.000 0.999 935 Y HN 0.231 nan 8.280 nan 0.000 0.541 936 C N -1.191 118.092 119.300 -0.028 0.000 2.429 936 C HA -0.122 4.348 4.460 0.017 0.000 0.277 936 C C 2.681 177.516 174.990 -0.258 0.000 1.262 936 C CA 0.834 59.628 59.018 -0.373 0.000 1.733 936 C CB -1.015 26.342 27.740 -0.638 0.000 2.010 936 C HN 0.338 nan 8.230 nan 0.000 0.483 937 V N 1.234 121.100 119.914 -0.079 0.000 2.239 937 V HA -0.121 4.009 4.120 0.017 0.000 0.242 937 V C 2.745 178.991 176.094 0.253 0.000 1.038 937 V CA 2.093 64.445 62.300 0.086 0.000 1.002 937 V CB -1.500 30.298 31.823 -0.042 0.000 0.641 937 V HN 0.532 nan 8.190 nan 0.000 0.449 938 A N -0.562 122.381 122.820 0.205 0.000 1.896 938 A HA -0.361 3.969 4.320 0.017 0.000 0.220 938 A C 2.416 180.076 177.584 0.125 0.000 1.206 938 A CA 3.100 55.211 52.037 0.124 0.000 0.647 938 A CB -1.276 17.729 19.000 0.009 0.000 0.828 938 A HN 0.471 nan 8.150 nan 0.000 0.455 939 T N -2.139 112.496 114.554 0.136 0.000 2.951 939 T HA -0.017 4.344 4.350 0.017 0.000 0.268 939 T C 1.456 176.346 174.700 0.317 0.000 1.073 939 T CA 1.267 63.474 62.100 0.179 0.000 1.134 939 T CB -0.354 68.583 68.868 0.114 0.000 0.884 939 T HN 0.457 nan 8.240 nan 0.000 0.479 940 F N 1.078 121.175 119.950 0.244 0.000 2.163 940 F HA 0.044 4.581 4.527 0.017 0.000 0.297 940 F C 2.057 178.079 175.800 0.370 0.000 1.094 940 F CA 0.689 58.902 58.000 0.355 0.000 1.290 940 F CB -0.508 38.739 39.000 0.413 0.000 1.017 940 F HN -0.071 nan 8.300 nan 0.000 0.483 941 V N 0.788 120.846 119.914 0.241 0.000 2.427 941 V HA -0.266 3.864 4.120 0.017 0.000 0.248 941 V C 2.278 178.387 176.094 0.024 0.000 1.051 941 V CA 1.818 64.159 62.300 0.068 0.000 1.048 941 V CB -0.584 31.322 31.823 0.139 0.000 0.666 941 V HN 0.360 nan 8.190 nan 0.000 0.456 942 L N -0.063 121.220 121.223 0.100 0.000 2.558 942 L HA 0.299 4.650 4.340 0.017 0.000 0.225 942 L C 1.646 178.615 176.870 0.165 0.000 1.128 942 L CA 0.833 55.764 54.840 0.151 0.000 0.868 942 L CB -0.320 41.824 42.059 0.141 0.000 1.006 942 L HN 0.541 nan 8.230 nan 0.000 0.454 943 G N 1.672 110.519 108.800 0.078 0.000 2.149 943 G HA2 -0.276 3.694 3.960 0.017 0.000 0.235 943 G HA3 -0.276 3.694 3.960 0.017 0.000 0.235 943 G C 0.505 175.365 174.900 -0.067 0.000 1.018 943 G CA 0.402 45.341 45.100 -0.268 0.000 0.728 943 G HN 0.549 nan 8.290 nan 0.000 0.508 944 I N -3.196 117.444 120.570 0.115 0.000 3.707 944 I HA 0.577 4.758 4.170 0.017 0.000 0.330 944 I C 1.495 177.797 176.117 0.309 0.000 1.572 944 I CA 0.126 61.542 61.300 0.194 0.000 1.104 944 I CB 0.312 38.456 38.000 0.238 0.000 1.240 944 I HN 0.018 nan 8.210 nan 0.000 0.475 945 G N 0.461 109.457 108.800 0.327 0.000 2.453 945 G HA2 -0.139 3.831 3.960 0.017 0.000 0.215 945 G HA3 -0.139 3.831 3.960 0.017 0.000 0.215 945 G C 0.523 175.648 174.900 0.374 0.000 1.147 945 G CA 0.197 45.569 45.100 0.453 0.000 0.802 945 G HN 0.392 nan 8.290 nan 0.000 0.535 946 D N 1.430 121.973 120.400 0.238 0.000 2.398 946 D HA 0.118 4.768 4.640 0.017 0.000 0.250 946 D C 0.118 176.490 176.300 0.120 0.000 1.287 946 D CA 0.086 54.174 54.000 0.147 0.000 0.992 946 D CB 0.050 40.910 40.800 0.101 0.000 1.071 946 D HN 0.036 nan 8.370 nan 0.000 0.514 947 R N 2.157 122.712 120.500 0.092 0.000 2.803 947 R HA 0.284 4.635 4.340 0.017 0.000 0.276 947 R C -0.156 176.122 176.300 -0.037 0.000 0.978 947 R CA -0.983 55.124 56.100 0.011 0.000 0.939 947 R CB 0.876 31.132 30.300 -0.074 0.000 1.179 947 R HN 0.437 nan 8.270 nan 0.000 0.472 948 H N 1.172 120.112 119.070 -0.217 0.000 2.629 948 H HA 0.113 4.680 4.556 0.017 0.000 0.357 948 H C 1.024 176.168 175.328 -0.307 0.000 1.121 948 H CA 0.218 56.056 56.048 -0.350 0.000 1.406 948 H CB 0.748 30.048 29.762 -0.770 0.000 1.456 948 H HN 0.399 nan 8.280 nan 0.000 0.579 949 N N 2.002 120.220 118.700 -0.804 0.000 2.182 949 N HA -0.213 4.538 4.740 0.017 0.000 0.192 949 N C 1.089 176.330 175.510 -0.448 0.000 1.007 949 N CA 1.459 54.174 53.050 -0.559 0.000 0.873 949 N CB -0.155 38.024 38.487 -0.513 0.000 0.998 949 N HN 0.677 nan 8.380 nan 0.000 0.436 950 D N 0.019 120.097 120.400 -0.536 0.000 2.218 950 D HA -0.030 4.621 4.640 0.017 0.000 0.204 950 D C 0.233 176.376 176.300 -0.261 0.000 0.976 950 D CA 0.782 54.595 54.000 -0.312 0.000 0.853 950 D CB -0.263 40.384 40.800 -0.255 0.000 0.939 950 D HN 0.405 nan 8.370 nan 0.000 0.481 951 N N -0.854 117.672 118.700 -0.290 0.000 2.279 951 N HA 0.235 4.985 4.740 0.017 0.000 0.226 951 N C -0.496 174.792 175.510 -0.371 0.000 1.126 951 N CA -0.105 52.772 53.050 -0.289 0.000 0.846 951 N CB 1.095 39.437 38.487 -0.242 0.000 1.050 951 N HN 0.111 nan 8.380 nan 0.000 0.502 952 I N 0.865 121.217 120.570 -0.364 0.000 2.498 952 I HA 0.396 4.576 4.170 0.017 0.000 0.290 952 I C -0.471 175.422 176.117 -0.372 0.000 1.032 952 I CA -0.592 60.475 61.300 -0.388 0.000 1.073 952 I CB 1.786 39.625 38.000 -0.268 0.000 1.251 952 I HN -0.142 nan 8.210 nan 0.000 0.426 953 M N 5.960 125.218 119.600 -0.570 0.000 2.761 953 M HA 0.632 5.122 4.480 0.017 0.000 0.305 953 M C -1.006 175.062 176.300 -0.387 0.000 1.235 953 M CA -0.858 54.087 55.300 -0.592 0.000 0.850 953 M CB 3.305 35.308 32.600 -0.996 0.000 1.744 953 M HN 0.461 nan 8.290 nan 0.000 0.480 954 I N 0.676 121.168 120.570 -0.129 0.000 2.722 954 I HA 0.407 4.588 4.170 0.017 0.000 0.295 954 I C -0.361 175.943 176.117 0.311 0.000 1.161 954 I CA -0.356 61.018 61.300 0.123 0.000 1.032 954 I CB 2.495 40.529 38.000 0.058 0.000 1.244 954 I HN 0.858 nan 8.210 nan 0.000 0.421 955 T N 1.257 116.061 114.554 0.416 0.000 2.849 955 T HA 0.285 4.645 4.350 0.017 0.000 0.284 955 T C 0.797 175.768 174.700 0.453 0.000 1.004 955 T CA -0.416 61.922 62.100 0.397 0.000 1.021 955 T CB 1.362 70.392 68.868 0.270 0.000 1.013 955 T HN 0.699 nan 8.240 nan 0.000 0.527 956 E N -0.234 120.190 120.200 0.373 0.000 2.333 956 E HA -0.083 4.277 4.350 0.017 0.000 0.198 956 E C 1.416 178.091 176.600 0.124 0.000 1.007 956 E CA 0.882 57.394 56.400 0.186 0.000 0.845 956 E CB 0.014 29.739 29.700 0.041 0.000 0.766 956 E HN 0.732 nan 8.360 nan 0.000 0.507 957 T N -1.768 112.880 114.554 0.157 0.000 3.174 957 T HA 0.303 4.663 4.350 0.017 0.000 0.269 957 T C 0.754 175.527 174.700 0.122 0.000 1.017 957 T CA 0.603 62.765 62.100 0.104 0.000 0.899 957 T CB 0.281 69.194 68.868 0.075 0.000 1.077 957 T HN 0.324 nan 8.240 nan 0.000 0.552 958 G N 1.680 110.598 108.800 0.198 0.000 2.179 958 G HA2 -0.186 3.784 3.960 0.017 0.000 0.220 958 G HA3 -0.186 3.784 3.960 0.017 0.000 0.220 958 G C 0.023 175.083 174.900 0.267 0.000 0.990 958 G CA -0.386 44.848 45.100 0.222 0.000 0.646 958 G HN 0.497 nan 8.290 nan 0.000 0.517 959 N N 1.011 119.857 118.700 0.242 0.000 2.439 959 N HA 0.346 5.096 4.740 0.017 0.000 0.243 959 N C 0.396 176.092 175.510 0.310 0.000 1.088 959 N CA -0.168 53.023 53.050 0.236 0.000 0.940 959 N CB 0.661 39.260 38.487 0.186 0.000 1.180 959 N HN 0.495 nan 8.380 nan 0.000 0.505 960 L N 4.846 126.172 121.223 0.173 0.000 2.453 960 L HA 0.236 4.587 4.340 0.017 0.000 0.272 960 L C -0.645 176.299 176.870 0.124 0.000 1.182 960 L CA -0.040 54.827 54.840 0.045 0.000 0.858 960 L CB -0.036 41.870 42.059 -0.254 0.000 1.120 960 L HN 0.428 nan 8.230 nan 0.000 0.474 961 F N 1.500 121.288 119.950 -0.269 0.000 2.596 961 F HA 0.446 4.983 4.527 0.017 0.000 0.311 961 F C -0.656 174.931 175.800 -0.355 0.000 1.116 961 F CA -1.070 56.565 58.000 -0.608 0.000 0.957 961 F CB 0.726 39.656 39.000 -0.116 0.000 1.250 961 F HN 0.349 nan 8.300 nan 0.000 0.444 962 H N 3.451 122.159 119.070 -0.603 0.000 2.629 962 H HA 0.613 5.180 4.556 0.018 0.000 0.357 962 H C -0.074 175.185 175.328 -0.115 0.000 1.121 962 H CA -0.130 55.811 56.048 -0.179 0.000 1.406 962 H CB 1.988 31.891 29.762 0.234 0.000 1.456 962 H HN 0.773 nan 8.280 nan 0.000 0.579 963 I N -1.821 118.582 120.570 -0.278 0.000 3.294 963 I HA 0.306 4.486 4.170 0.017 0.000 0.311 963 I C -0.191 175.527 176.117 -0.666 0.000 1.111 963 I CA -1.075 60.018 61.300 -0.344 0.000 0.976 963 I CB 1.673 39.517 38.000 -0.259 0.000 1.260 963 I HN 0.456 nan 8.210 nan 0.000 0.474 964 D N 1.144 121.291 120.400 -0.422 0.000 2.803 964 D HA -0.223 4.428 4.640 0.017 0.000 0.233 964 D C -0.101 176.070 176.300 -0.215 0.000 1.182 964 D CA 0.818 54.675 54.000 -0.238 0.000 0.726 964 D CB -0.776 39.947 40.800 -0.128 0.000 0.987 964 D HN 0.560 nan 8.370 nan 0.000 0.412 965 F N -0.749 119.294 119.950 0.156 0.000 2.725 965 F HA 0.238 4.776 4.527 0.018 0.000 0.303 965 F C 2.238 178.105 175.800 0.112 0.000 1.167 965 F CA 0.134 58.213 58.000 0.132 0.000 1.403 965 F CB 0.365 39.443 39.000 0.131 0.000 1.077 965 F HN 0.229 nan 8.300 nan 0.000 0.537 966 G N 0.337 109.266 108.800 0.215 0.000 2.778 966 G HA2 0.232 4.203 3.960 0.017 0.000 0.287 966 G HA3 0.232 4.203 3.960 0.017 0.000 0.287 966 G C -0.422 174.614 174.900 0.227 0.000 0.747 966 G CA 0.414 45.623 45.100 0.182 0.000 1.961 966 G HN 0.473 nan 8.290 nan 0.000 0.539 982 R N 0.329 120.855 120.500 0.044 0.000 2.888 982 R HA 0.803 5.154 4.340 0.017 0.000 0.266 982 R C -1.190 175.111 176.300 0.002 0.000 1.020 982 R CA -0.978 55.145 56.100 0.037 0.000 0.963 982 R CB 1.737 32.064 30.300 0.046 0.000 1.197 982 R HN 0.233 nan 8.270 nan 0.000 0.481 983 V N 1.996 121.907 119.914 -0.004 0.000 2.733 983 V HA 0.281 4.411 4.120 0.017 0.000 0.306 983 V C -1.780 174.285 176.094 -0.048 0.000 1.084 983 V CA -1.937 60.318 62.300 -0.076 0.000 0.905 983 V CB 2.782 34.551 31.823 -0.089 0.000 1.010 983 V HN 0.688 nan 8.190 nan 0.000 0.424 984 P HA 0.027 nan 4.420 nan 0.000 0.219 984 P C -0.160 177.281 177.300 0.236 0.000 1.150 984 P CA 1.251 64.380 63.100 0.049 0.000 0.814 984 P CB 0.068 31.647 31.700 -0.202 0.000 0.787 985 F N -4.608 115.411 119.950 0.114 0.000 2.817 985 F HA 0.463 5.000 4.527 0.017 0.000 0.317 985 F C -1.236 174.634 175.800 0.116 0.000 1.168 985 F CA -1.707 56.399 58.000 0.177 0.000 0.911 985 F CB 0.445 39.581 39.000 0.226 0.000 1.337 985 F HN -0.495 nan 8.300 nan 0.000 0.464 986 V N 2.611 122.807 119.914 0.471 0.000 2.299 986 V HA 0.364 4.494 4.120 0.017 0.000 0.255 986 V C -0.646 175.662 176.094 0.357 0.000 1.100 986 V CA -0.099 62.336 62.300 0.225 0.000 0.938 986 V CB 0.418 32.316 31.823 0.126 0.000 1.139 986 V HN 0.616 nan 8.190 nan 0.000 0.490 987 L N 6.674 128.008 121.223 0.186 0.000 2.384 987 L HA 0.563 4.913 4.340 0.017 0.000 0.261 987 L C 0.572 177.291 176.870 -0.253 0.000 1.024 987 L CA 0.232 55.167 54.840 0.158 0.000 0.899 987 L CB 1.248 43.520 42.059 0.356 0.000 1.243 987 L HN 0.680 nan 8.230 nan 0.000 0.449 988 T N 1.323 115.483 114.554 -0.657 0.000 2.902 988 T HA 0.488 4.848 4.350 0.017 0.000 0.280 988 T C -2.019 172.241 174.700 -0.734 0.000 0.992 988 T CA -1.822 59.729 62.100 -0.915 0.000 1.015 988 T CB 1.038 69.147 68.868 -1.265 0.000 1.044 988 T HN 0.286 nan 8.240 nan 0.000 0.520 989 P HA -0.052 nan 4.420 nan 0.000 0.222 989 P C 1.060 178.313 177.300 -0.078 0.000 1.147 989 P CA 0.771 63.617 63.100 -0.423 0.000 0.790 989 P CB -0.042 31.392 31.700 -0.444 0.000 0.780 990 D N -1.056 119.324 120.400 -0.035 0.000 2.144 990 D HA -0.175 4.475 4.640 0.017 0.000 0.200 990 D C 1.624 178.132 176.300 0.347 0.000 0.978 990 D CA 1.157 55.295 54.000 0.230 0.000 0.833 990 D CB -1.344 39.663 40.800 0.344 0.000 0.961 990 D HN 0.082 nan 8.370 nan 0.000 0.470 991 F N 1.005 121.003 119.950 0.081 0.000 2.146 991 F HA 0.080 4.617 4.527 0.017 0.000 0.298 991 F C 2.500 178.384 175.800 0.139 0.000 1.096 991 F CA 0.092 58.232 58.000 0.233 0.000 1.275 991 F CB -1.114 38.045 39.000 0.265 0.000 1.008 991 F HN -0.023 nan 8.300 nan 0.000 0.480 992 L N -1.512 119.838 121.223 0.212 0.000 2.131 992 L HA -0.249 4.101 4.340 0.017 0.000 0.210 992 L C 2.466 179.385 176.870 0.081 0.000 1.092 992 L CA 1.210 56.084 54.840 0.057 0.000 0.759 992 L CB -0.726 41.280 42.059 -0.088 0.000 0.903 992 L HN 0.060 nan 8.230 nan 0.000 0.435 993 F N -0.152 119.801 119.950 0.004 0.000 2.259 993 F HA -0.113 4.424 4.527 0.017 0.000 0.298 993 F C 2.181 177.980 175.800 -0.000 0.000 1.088 993 F CA 0.938 58.936 58.000 -0.003 0.000 1.358 993 F CB -0.017 38.984 39.000 0.002 0.000 1.040 993 F HN -0.273 nan 8.300 nan 0.000 0.505 994 V N 0.727 120.685 119.914 0.073 0.000 2.490 994 V HA -0.320 3.810 4.120 0.017 0.000 0.250 994 V C 2.109 178.150 176.094 -0.087 0.000 1.061 994 V CA 1.946 64.182 62.300 -0.106 0.000 1.064 994 V CB -0.666 30.883 31.823 -0.457 0.000 0.670 994 V HN 0.367 nan 8.190 nan 0.000 0.461 995 M N -0.099 119.510 119.600 0.016 0.000 2.628 995 M HA 0.222 4.712 4.480 0.017 0.000 0.232 995 M C 1.391 177.741 176.300 0.083 0.000 1.128 995 M CA 0.841 56.209 55.300 0.115 0.000 1.040 995 M CB -0.151 32.557 32.600 0.181 0.000 1.608 995 M HN 0.487 nan 8.290 nan 0.000 0.507 996 G N 1.602 110.346 108.800 -0.094 0.000 2.246 996 G HA2 -0.208 3.763 3.960 0.017 0.000 0.273 996 G HA3 -0.208 3.763 3.960 0.017 0.000 0.273 996 G C -0.090 174.725 174.900 -0.142 0.000 1.055 996 G CA 0.416 45.416 45.100 -0.166 0.000 0.851 996 G HN 0.431 nan 8.290 nan 0.000 0.500 997 T N -0.395 114.066 114.554 -0.156 0.000 2.894 997 T HA 0.745 5.106 4.350 0.017 0.000 0.309 997 T C -0.328 174.315 174.700 -0.095 0.000 1.208 997 T CA 0.204 62.218 62.100 -0.143 0.000 1.016 997 T CB 2.009 70.736 68.868 -0.234 0.000 1.192 997 T HN 1.073 nan 8.240 nan 0.000 0.491 998 S N 0.266 115.917 115.700 -0.081 0.000 2.547 998 S HA 0.652 5.133 4.470 0.017 0.000 0.281 998 S C 0.505 175.058 174.600 -0.079 0.000 1.118 998 S CA -0.792 57.396 58.200 -0.020 0.000 0.947 998 S CB 1.521 64.759 63.200 0.062 0.000 1.053 998 S HN 1.291 nan 8.310 nan 0.000 0.482 999 G N 2.927 111.676 108.800 -0.086 0.000 2.741 999 G HA2 -0.059 3.911 3.960 0.017 0.000 0.341 999 G HA3 -0.059 3.911 3.960 0.017 0.000 0.341 999 G C 0.123 174.960 174.900 -0.104 0.000 0.174 999 G CA 0.241 45.279 45.100 -0.104 0.000 1.200 999 G HN 0.987 nan 8.290 nan 0.000 0.461 1000 K N -0.092 120.219 120.400 -0.149 0.000 3.466 1000 K HA -0.152 4.179 4.320 0.017 0.000 0.276 1000 K C 0.405 176.943 176.600 -0.102 0.000 1.128 1000 K CA 1.683 57.898 56.287 -0.119 0.000 0.829 1000 K CB -1.719 30.738 32.500 -0.072 0.000 1.334 1000 K HN 1.265 nan 8.250 nan 0.000 0.461 1001 K N -1.781 118.530 120.400 -0.149 0.000 2.428 1001 K HA 0.594 4.924 4.320 0.017 0.000 0.279 1001 K C -0.805 175.720 176.600 -0.125 0.000 1.041 1001 K CA -0.794 55.434 56.287 -0.097 0.000 0.887 1001 K CB 1.471 33.931 32.500 -0.068 0.000 1.535 1001 K HN -0.053 nan 8.250 nan 0.000 0.417 1002 T N 0.489 115.028 114.554 -0.025 0.000 2.949 1002 T HA 0.632 4.993 4.350 0.017 0.000 0.287 1002 T C -0.960 173.777 174.700 0.062 0.000 1.034 1002 T CA -0.648 61.499 62.100 0.078 0.000 1.018 1002 T CB 1.313 70.257 68.868 0.128 0.000 1.135 1002 T HN 0.754 nan 8.240 nan 0.000 0.532 1003 S N -0.469 115.322 115.700 0.152 0.000 2.567 1003 S HA 0.443 4.923 4.470 0.017 0.000 0.270 1003 S C -2.778 171.870 174.600 0.080 0.000 1.152 1003 S CA -1.259 56.989 58.200 0.080 0.000 0.835 1003 S CB 1.290 64.521 63.200 0.053 0.000 1.115 1003 S HN 0.305 nan 8.310 nan 0.000 0.459 1004 P HA -0.180 nan 4.420 nan 0.000 0.216 1004 P C 1.151 178.400 177.300 -0.084 0.000 1.157 1004 P CA 1.651 64.686 63.100 -0.108 0.000 0.880 1004 P CB -0.141 31.413 31.700 -0.244 0.000 0.791 1005 H N -2.796 116.314 119.070 0.066 0.000 2.428 1005 H HA -0.031 4.536 4.556 0.017 0.000 0.296 1005 H C 1.877 177.293 175.328 0.145 0.000 1.062 1005 H CA 0.909 57.001 56.048 0.072 0.000 1.350 1005 H CB -0.952 28.846 29.762 0.060 0.000 1.403 1005 H HN 0.189 nan 8.280 nan 0.000 0.533 1006 F N 1.659 121.689 119.950 0.134 0.000 2.367 1006 F HA -0.043 4.494 4.527 0.018 0.000 0.298 1006 F C 2.342 178.246 175.800 0.173 0.000 1.094 1006 F CA 0.667 58.750 58.000 0.139 0.000 1.409 1006 F CB 0.090 39.124 39.000 0.056 0.000 1.064 1006 F HN -0.031 nan 8.300 nan 0.000 0.528 1007 Q N 0.330 120.165 119.800 0.057 0.000 2.046 1007 Q HA -0.225 4.125 4.340 0.017 0.000 0.200 1007 Q C 2.162 178.098 176.000 -0.106 0.000 0.975 1007 Q CA 1.939 57.705 55.803 -0.061 0.000 0.836 1007 Q CB -0.183 28.560 28.738 0.008 0.000 0.896 1007 Q HN 0.213 nan 8.270 nan 0.000 0.428 1008 K N 0.562 120.935 120.400 -0.045 0.000 2.001 1008 K HA -0.228 4.102 4.320 0.017 0.000 0.214 1008 K C 1.659 178.174 176.600 -0.141 0.000 1.050 1008 K CA 1.812 58.052 56.287 -0.079 0.000 0.934 1008 K CB -0.715 31.774 32.500 -0.018 0.000 0.718 1008 K HN 0.225 nan 8.250 nan 0.000 0.443 1009 F N 1.400 121.213 119.950 -0.228 0.000 2.120 1009 F HA -0.279 4.259 4.527 0.018 0.000 0.300 1009 F C 2.048 177.664 175.800 -0.306 0.000 1.095 1009 F CA 2.003 59.850 58.000 -0.256 0.000 1.249 1009 F CB -0.341 38.566 39.000 -0.156 0.000 0.995 1009 F HN 0.223 nan 8.300 nan 0.000 0.480 1010 Q N -0.201 119.356 119.800 -0.405 0.000 2.050 1010 Q HA -0.239 4.112 4.340 0.017 0.000 0.202 1010 Q C 1.977 177.750 176.000 -0.378 0.000 0.980 1010 Q CA 1.827 57.352 55.803 -0.463 0.000 0.840 1010 Q CB -0.406 28.095 28.738 -0.395 0.000 0.898 1010 Q HN 0.619 nan 8.270 nan 0.000 0.424 1011 D N 0.322 120.550 120.400 -0.287 0.000 2.194 1011 D HA -0.120 4.531 4.640 0.017 0.000 0.204 1011 D C 1.637 177.786 176.300 -0.253 0.000 0.964 1011 D CA 0.853 54.727 54.000 -0.211 0.000 0.846 1011 D CB -0.146 40.569 40.800 -0.141 0.000 0.962 1011 D HN 0.254 nan 8.370 nan 0.000 0.490 1012 I N 0.117 120.492 120.570 -0.326 0.000 2.226 1012 I HA -0.273 3.907 4.170 0.017 0.000 0.245 1012 I C 2.380 178.226 176.117 -0.452 0.000 1.100 1012 I CA 0.702 61.784 61.300 -0.363 0.000 1.374 1012 I CB -0.256 37.495 38.000 -0.415 0.000 1.057 1012 I HN 0.176 nan 8.210 nan 0.000 0.413 1013 C N -0.027 118.931 119.300 -0.571 0.000 2.413 1013 C HA -0.121 4.350 4.460 0.017 0.000 0.277 1013 C C 2.882 177.564 174.990 -0.513 0.000 1.265 1013 C CA 0.573 59.225 59.018 -0.609 0.000 1.752 1013 C CB -0.714 26.639 27.740 -0.645 0.000 1.998 1013 C HN 0.356 nan 8.230 nan 0.000 0.489 1014 V N 0.618 120.326 119.914 -0.342 0.000 2.323 1014 V HA -0.177 3.953 4.120 0.017 0.000 0.244 1014 V C 2.426 178.422 176.094 -0.163 0.000 1.041 1014 V CA 1.739 63.922 62.300 -0.196 0.000 1.025 1014 V CB -0.533 31.229 31.823 -0.102 0.000 0.656 1014 V HN 0.542 nan 8.190 nan 0.000 0.451 1015 K N 0.237 120.523 120.400 -0.190 0.000 2.063 1015 K HA -0.154 4.177 4.320 0.017 0.000 0.208 1015 K C 2.229 178.722 176.600 -0.179 0.000 1.048 1015 K CA 1.592 57.787 56.287 -0.154 0.000 0.928 1015 K CB -0.352 32.057 32.500 -0.152 0.000 0.713 1015 K HN 0.487 nan 8.250 nan 0.000 0.442 1016 A N 0.434 123.067 122.820 -0.312 0.000 1.898 1016 A HA -0.151 4.179 4.320 0.017 0.000 0.214 1016 A C 1.992 179.591 177.584 0.026 0.000 1.183 1016 A CA 0.898 52.681 52.037 -0.424 0.000 0.622 1016 A CB -0.678 17.768 19.000 -0.923 0.000 0.824 1016 A HN 0.333 nan 8.150 nan 0.000 0.444 1017 Y N 1.700 121.825 120.300 -0.291 0.000 2.014 1017 Y HA -0.261 4.300 4.550 0.018 0.000 0.270 1017 Y C 2.063 177.880 175.900 -0.139 0.000 1.145 1017 Y CA 2.185 60.120 58.100 -0.275 0.000 1.106 1017 Y CB -0.846 37.248 38.460 -0.611 0.000 0.968 1017 Y HN 0.310 nan 8.280 nan 0.000 0.484 1018 L N -0.090 120.963 121.223 -0.283 0.000 2.353 1018 L HA 0.111 4.462 4.340 0.017 0.000 0.220 1018 L C 2.223 178.787 176.870 -0.509 0.000 1.133 1018 L CA 1.797 56.366 54.840 -0.452 0.000 0.798 1018 L CB -1.626 40.253 42.059 -0.300 0.000 0.922 1018 L HN 0.160 nan 8.230 nan 0.000 0.445 1019 A N 0.843 123.553 122.820 -0.183 0.000 1.898 1019 A HA -0.030 4.301 4.320 0.017 0.000 0.216 1019 A C 2.282 179.914 177.584 0.080 0.000 1.181 1019 A CA 1.804 53.864 52.037 0.038 0.000 0.620 1019 A CB -0.828 18.363 19.000 0.319 0.000 0.819 1019 A HN 0.497 nan 8.150 nan 0.000 0.442 1020 L N -1.066 120.208 121.223 0.086 0.000 2.042 1020 L HA -0.223 4.127 4.340 0.017 0.000 0.210 1020 L C 2.782 179.599 176.870 -0.089 0.000 1.076 1020 L CA 1.716 56.545 54.840 -0.017 0.000 0.749 1020 L CB -0.623 41.426 42.059 -0.017 0.000 0.893 1020 L HN 0.365 nan 8.230 nan 0.000 0.432 1021 R N -0.756 119.578 120.500 -0.277 0.000 2.200 1021 R HA -0.161 4.189 4.340 0.017 0.000 0.234 1021 R C 2.065 178.244 176.300 -0.200 0.000 1.127 1021 R CA 1.135 57.049 56.100 -0.310 0.000 0.989 1021 R CB -0.377 29.634 30.300 -0.481 0.000 0.869 1021 R HN 0.554 nan 8.270 nan 0.000 0.459 1022 H N -1.586 117.405 119.070 -0.131 0.000 2.491 1022 H HA -0.024 4.542 4.556 0.017 0.000 0.290 1022 H C 0.668 175.775 175.328 -0.368 0.000 1.050 1022 H CA 0.543 56.454 56.048 -0.229 0.000 1.309 1022 H CB 0.236 29.848 29.762 -0.250 0.000 1.392 1022 H HN 0.265 nan 8.280 nan 0.000 0.554 1023 H N -0.430 118.655 119.070 0.024 0.000 2.490 1023 H HA 0.120 4.687 4.556 0.018 0.000 0.285 1023 H C 1.091 176.395 175.328 -0.040 0.000 1.127 1023 H CA -0.022 56.018 56.048 -0.014 0.000 0.993 1023 H CB 0.569 30.309 29.762 -0.037 0.000 1.653 1023 H HN 0.265 nan 8.280 nan 0.000 0.557 1024 T N 1.188 115.748 114.554 0.009 0.000 2.665 1024 T HA -0.173 4.187 4.350 0.017 0.000 0.268 1024 T C 1.913 176.613 174.700 -0.000 0.000 1.035 1024 T CA 1.547 63.634 62.100 -0.022 0.000 1.151 1024 T CB 0.137 68.972 68.868 -0.056 0.000 0.862 1024 T HN 0.446 nan 8.240 nan 0.000 0.438 1025 N N 1.092 119.799 118.700 0.011 0.000 2.120 1025 N HA 0.001 4.752 4.740 0.017 0.000 0.188 1025 N C 1.784 177.317 175.510 0.038 0.000 1.024 1025 N CA 0.601 53.664 53.050 0.023 0.000 0.852 1025 N CB -0.693 37.807 38.487 0.022 0.000 1.003 1025 N HN 0.282 nan 8.380 nan 0.000 0.424 1026 L N 0.554 121.808 121.223 0.052 0.000 2.017 1026 L HA -0.113 4.237 4.340 0.017 0.000 0.208 1026 L C 1.816 178.720 176.870 0.056 0.000 1.073 1026 L CA 1.262 56.133 54.840 0.053 0.000 0.745 1026 L CB -0.309 41.793 42.059 0.072 0.000 0.894 1026 L HN 0.172 nan 8.230 nan 0.000 0.432 1027 L N -0.440 120.808 121.223 0.042 0.000 2.093 1027 L HA -0.254 4.096 4.340 0.017 0.000 0.208 1027 L C 2.504 179.414 176.870 0.068 0.000 1.085 1027 L CA 1.178 56.037 54.840 0.032 0.000 0.755 1027 L CB -0.337 41.712 42.059 -0.017 0.000 0.904 1027 L HN 0.252 nan 8.230 nan 0.000 0.435 1028 I N -0.741 119.857 120.570 0.048 0.000 2.286 1028 I HA -0.287 3.894 4.170 0.017 0.000 0.248 1028 I C 2.357 178.552 176.117 0.130 0.000 1.115 1028 I CA 0.954 62.299 61.300 0.075 0.000 1.392 1028 I CB -0.035 37.983 38.000 0.032 0.000 1.065 1028 I HN 0.233 nan 8.210 nan 0.000 0.418 1029 I N 0.524 121.151 120.570 0.094 0.000 2.406 1029 I HA -0.166 4.014 4.170 0.017 0.000 0.249 1029 I C 2.338 178.515 176.117 0.100 0.000 1.122 1029 I CA 1.432 62.784 61.300 0.085 0.000 1.431 1029 I CB -0.422 37.613 38.000 0.059 0.000 1.087 1029 I HN 0.173 nan 8.210 nan 0.000 0.424 1030 L N -0.700 120.589 121.223 0.111 0.000 2.017 1030 L HA -0.267 4.084 4.340 0.017 0.000 0.208 1030 L C 2.599 179.543 176.870 0.124 0.000 1.073 1030 L CA 1.449 56.355 54.840 0.110 0.000 0.745 1030 L CB -1.013 41.107 42.059 0.102 0.000 0.894 1030 L HN 0.117 nan 8.230 nan 0.000 0.432 1031 F N 0.790 120.745 119.950 0.009 0.000 2.069 1031 F HA -0.308 4.229 4.527 0.017 0.000 0.298 1031 F C 2.972 178.780 175.800 0.014 0.000 1.113 1031 F CA 1.898 59.903 58.000 0.010 0.000 1.214 1031 F CB -0.371 38.641 39.000 0.020 0.000 0.978 1031 F HN 0.033 nan 8.300 nan 0.000 0.474 1032 S N 0.169 115.947 115.700 0.130 0.000 2.359 1032 S HA -0.261 4.220 4.470 0.017 0.000 0.224 1032 S C 2.120 176.695 174.600 -0.041 0.000 1.035 1032 S CA 1.826 60.036 58.200 0.017 0.000 1.018 1032 S CB -0.391 62.850 63.200 0.068 0.000 0.876 1032 S HN 0.510 nan 8.310 nan 0.000 0.448 1033 M N 0.385 119.997 119.600 0.020 0.000 2.175 1033 M HA -0.036 4.455 4.480 0.017 0.000 0.264 1033 M C 2.431 178.754 176.300 0.039 0.000 1.063 1033 M CA 1.630 56.989 55.300 0.098 0.000 1.119 1033 M CB -0.411 32.285 32.600 0.158 0.000 1.377 1033 M HN 0.493 nan 8.290 nan 0.000 0.415 1034 M N 0.919 120.489 119.600 -0.050 0.000 2.073 1034 M HA -0.249 4.241 4.480 0.017 0.000 0.258 1034 M C 1.900 178.099 176.300 -0.168 0.000 1.070 1034 M CA 1.871 57.099 55.300 -0.119 0.000 1.103 1034 M CB -0.160 32.339 32.600 -0.168 0.000 1.321 1034 M HN 0.257 nan 8.290 nan 0.000 0.405 1035 L N -0.517 120.549 121.223 -0.261 0.000 2.201 1035 L HA -0.193 4.157 4.340 0.017 0.000 0.212 1035 L C 2.383 179.177 176.870 -0.126 0.000 1.105 1035 L CA 1.061 55.751 54.840 -0.250 0.000 0.775 1035 L CB -0.589 41.261 42.059 -0.348 0.000 0.913 1035 L HN 0.492 nan 8.230 nan 0.000 0.440 1036 M N -1.034 118.533 119.600 -0.055 0.000 2.476 1036 M HA -0.029 4.461 4.480 0.017 0.000 0.262 1036 M C 1.918 178.228 176.300 0.017 0.000 1.111 1036 M CA 1.421 56.733 55.300 0.020 0.000 1.127 1036 M CB -0.075 32.603 32.600 0.131 0.000 1.376 1036 M HN 0.330 nan 8.290 nan 0.000 0.465 1037 T N -4.338 110.202 114.554 -0.022 0.000 3.010 1037 T HA 0.263 4.623 4.350 0.017 0.000 0.257 1037 T C 1.459 176.096 174.700 -0.106 0.000 1.020 1037 T CA 0.505 62.544 62.100 -0.101 0.000 0.938 1037 T CB 0.304 69.081 68.868 -0.151 0.000 1.049 1037 T HN 0.335 nan 8.240 nan 0.000 0.522 1038 G N 1.322 110.065 108.800 -0.094 0.000 2.748 1038 G HA2 0.407 4.377 3.960 0.017 0.000 0.204 1038 G HA3 0.407 4.377 3.960 0.017 0.000 0.204 1038 G C 0.631 175.480 174.900 -0.086 0.000 1.095 1038 G CA -0.273 44.770 45.100 -0.095 0.000 0.775 1038 G HN 0.423 nan 8.290 nan 0.000 0.531 1039 M N -0.003 119.542 119.600 -0.092 0.000 2.861 1039 M HA 0.512 5.002 4.480 0.017 0.000 0.294 1039 M C -2.625 173.625 176.300 -0.084 0.000 1.185 1039 M CA -1.854 53.388 55.300 -0.096 0.000 0.809 1039 M CB -0.056 32.479 32.600 -0.109 0.000 1.722 1039 M HN -0.280 nan 8.290 nan 0.000 0.496 1040 P HA 0.086 nan 4.420 nan 0.000 0.317 1040 P C -0.520 176.763 177.300 -0.030 0.000 1.316 1040 P CA -0.267 62.798 63.100 -0.058 0.000 0.744 1040 P CB 0.124 31.786 31.700 -0.063 0.000 1.521 1041 Q N 0.647 120.452 119.800 0.008 0.000 2.337 1041 Q HA 0.110 4.460 4.340 0.017 0.000 0.255 1041 Q C -0.515 175.533 176.000 0.080 0.000 1.205 1041 Q CA 0.226 56.078 55.803 0.082 0.000 0.902 1041 Q CB -1.321 27.486 28.738 0.115 0.000 1.433 1041 Q HN 0.222 nan 8.270 nan 0.000 0.471 1042 L N 0.537 121.765 121.223 0.008 0.000 2.387 1042 L HA 0.723 5.073 4.340 0.017 0.000 0.266 1042 L C -0.229 176.460 176.870 -0.301 0.000 1.059 1042 L CA -0.617 54.169 54.840 -0.091 0.000 0.801 1042 L CB 0.293 42.287 42.059 -0.108 0.000 1.223 1042 L HN 0.239 nan 8.230 nan 0.000 0.456 1043 T N -0.300 114.079 114.554 -0.290 0.000 2.749 1043 T HA 0.283 4.644 4.350 0.017 0.000 0.287 1043 T C 1.162 175.643 174.700 -0.366 0.000 0.970 1043 T CA -0.399 61.430 62.100 -0.452 0.000 0.980 1043 T CB 1.126 69.875 68.868 -0.198 0.000 0.924 1043 T HN 0.640 nan 8.240 nan 0.000 0.456 1044 S N 1.896 117.296 115.700 -0.500 0.000 2.507 1044 S HA -0.029 4.451 4.470 0.017 0.000 0.235 1044 S C 1.561 176.080 174.600 -0.135 0.000 0.988 1044 S CA 0.926 58.960 58.200 -0.276 0.000 0.944 1044 S CB -0.024 63.024 63.200 -0.254 0.000 0.762 1044 S HN 0.599 nan 8.310 nan 0.000 0.526 1045 K N 0.805 121.135 120.400 -0.117 0.000 2.312 1045 K HA 0.210 4.540 4.320 0.017 0.000 0.230 1045 K C 1.991 178.579 176.600 -0.019 0.000 1.048 1045 K CA 0.168 56.429 56.287 -0.043 0.000 0.938 1045 K CB -0.272 32.216 32.500 -0.021 0.000 1.139 1045 K HN 0.061 nan 8.250 nan 0.000 0.461 1046 E N 1.614 121.804 120.200 -0.017 0.000 2.048 1046 E HA -0.254 4.106 4.350 0.017 0.000 0.202 1046 E C 1.667 178.311 176.600 0.072 0.000 1.021 1046 E CA 1.724 58.142 56.400 0.029 0.000 0.825 1046 E CB -0.242 29.475 29.700 0.027 0.000 0.756 1046 E HN 0.302 nan 8.360 nan 0.000 0.454 1047 D N 0.521 120.949 120.400 0.047 0.000 2.117 1047 D HA -0.116 4.535 4.640 0.017 0.000 0.198 1047 D C 2.109 178.549 176.300 0.233 0.000 0.982 1047 D CA 0.752 54.816 54.000 0.106 0.000 0.828 1047 D CB -0.072 40.741 40.800 0.021 0.000 0.967 1047 D HN 0.152 nan 8.370 nan 0.000 0.464 1048 I N 1.017 121.684 120.570 0.163 0.000 2.286 1048 I HA -0.193 3.987 4.170 0.017 0.000 0.248 1048 I C 2.251 178.526 176.117 0.264 0.000 1.115 1048 I CA 0.965 62.431 61.300 0.277 0.000 1.392 1048 I CB -0.882 37.189 38.000 0.119 0.000 1.065 1048 I HN -0.024 nan 8.210 nan 0.000 0.418 1049 E N 0.395 120.680 120.200 0.142 0.000 2.333 1049 E HA -0.263 4.098 4.350 0.017 0.000 0.198 1049 E C 2.057 178.675 176.600 0.031 0.000 1.007 1049 E CA 0.664 57.103 56.400 0.065 0.000 0.845 1049 E CB -0.347 29.378 29.700 0.042 0.000 0.766 1049 E HN 0.496 nan 8.360 nan 0.000 0.507 1050 Y N 0.429 120.742 120.300 0.022 0.000 2.151 1050 Y HA -0.265 4.296 4.550 0.018 0.000 0.284 1050 Y C 1.905 177.686 175.900 -0.199 0.000 1.166 1050 Y CA 1.945 60.015 58.100 -0.050 0.000 1.163 1050 Y CB -0.168 38.297 38.460 0.010 0.000 0.974 1050 Y HN 0.156 nan 8.280 nan 0.000 0.511 1051 I N -0.586 119.726 120.570 -0.429 0.000 2.500 1051 I HA -0.165 4.015 4.170 0.017 0.000 0.252 1051 I C 2.553 178.428 176.117 -0.404 0.000 1.142 1051 I CA 0.840 61.767 61.300 -0.622 0.000 1.451 1051 I CB -0.270 37.188 38.000 -0.904 0.000 1.093 1051 I HN 0.141 nan 8.210 nan 0.000 0.430 1052 R N 1.015 121.359 120.500 -0.261 0.000 2.097 1052 R HA -0.236 4.115 4.340 0.017 0.000 0.236 1052 R C 1.982 178.151 176.300 -0.218 0.000 1.135 1052 R CA 2.608 58.602 56.100 -0.177 0.000 0.934 1052 R CB -0.355 29.880 30.300 -0.109 0.000 0.846 1052 R HN 0.420 nan 8.270 nan 0.000 0.431 1053 D N -0.489 119.750 120.400 -0.267 0.000 2.117 1053 D HA -0.141 4.510 4.640 0.017 0.000 0.197 1053 D C 1.684 177.809 176.300 -0.292 0.000 0.987 1053 D CA 1.504 55.350 54.000 -0.256 0.000 0.829 1053 D CB -0.128 40.541 40.800 -0.218 0.000 0.961 1053 D HN 0.385 nan 8.370 nan 0.000 0.460 1054 A N 0.609 123.132 122.820 -0.495 0.000 1.969 1054 A HA -0.057 4.274 4.320 0.017 0.000 0.218 1054 A C 2.201 179.822 177.584 0.062 0.000 1.169 1054 A CA 0.686 52.469 52.037 -0.424 0.000 0.635 1054 A CB -0.449 17.945 19.000 -1.010 0.000 0.810 1054 A HN 0.185 nan 8.150 nan 0.000 0.445 1055 L N -0.929 120.265 121.223 -0.050 0.000 2.592 1055 L HA 0.066 4.417 4.340 0.017 0.000 0.227 1055 L C 1.127 177.981 176.870 -0.025 0.000 1.127 1055 L CA 0.489 55.348 54.840 0.032 0.000 0.884 1055 L CB -0.089 41.916 42.059 -0.091 0.000 1.065 1055 L HN 0.392 nan 8.230 nan 0.000 0.457 1056 T N 0.366 114.867 114.554 -0.088 0.000 3.626 1056 T HA -0.169 4.192 4.350 0.017 0.000 0.393 1056 T C 0.290 174.911 174.700 -0.131 0.000 0.765 1056 T CA -0.176 61.813 62.100 -0.185 0.000 2.006 1056 T CB -1.153 67.550 68.868 -0.274 0.000 1.739 1056 T HN 0.031 nan 8.240 nan 0.000 0.720 1057 V N 1.747 121.589 119.914 -0.120 0.000 2.901 1057 V HA 0.376 4.506 4.120 0.017 0.000 0.307 1057 V C 1.990 178.038 176.094 -0.077 0.000 1.084 1057 V CA 1.099 63.343 62.300 -0.093 0.000 1.184 1057 V CB 0.593 32.368 31.823 -0.081 0.000 0.941 1057 V HN 1.579 nan 8.190 nan 0.000 0.493 1058 G N 2.895 111.658 108.800 -0.061 0.000 2.221 1058 G HA2 -0.201 3.770 3.960 0.017 0.000 0.265 1058 G HA3 -0.201 3.770 3.960 0.017 0.000 0.265 1058 G C -0.056 174.818 174.900 -0.043 0.000 1.041 1058 G CA 0.097 45.169 45.100 -0.046 0.000 0.807 1058 G HN 0.535 nan 8.290 nan 0.000 0.502 1059 K N 0.136 120.507 120.400 -0.049 0.000 2.316 1059 K HA 0.400 4.731 4.320 0.017 0.000 0.251 1059 K C 0.430 177.014 176.600 -0.026 0.000 0.934 1059 K CA -0.860 55.406 56.287 -0.035 0.000 0.802 1059 K CB 1.526 34.001 32.500 -0.042 0.000 1.171 1059 K HN 0.434 nan 8.250 nan 0.000 0.426 1060 N N -0.059 118.635 118.700 -0.010 0.000 2.371 1060 N HA -0.029 4.722 4.740 0.017 0.000 0.243 1060 N C 0.538 176.049 175.510 0.002 0.000 1.287 1060 N CA 0.167 53.215 53.050 -0.003 0.000 0.911 1060 N CB 0.578 39.067 38.487 0.004 0.000 1.142 1060 N HN 0.491 nan 8.380 nan 0.000 0.451 1061 E N -0.647 119.554 120.200 0.003 0.000 2.265 1061 E HA -0.162 4.198 4.350 0.017 0.000 0.196 1061 E C 0.787 177.404 176.600 0.029 0.000 0.996 1061 E CA 0.852 57.252 56.400 -0.000 0.000 0.832 1061 E CB 0.066 29.767 29.700 0.001 0.000 0.756 1061 E HN 0.620 nan 8.360 nan 0.000 0.491 1062 E N 0.672 120.892 120.200 0.034 0.000 2.122 1062 E HA -0.118 4.242 4.350 0.017 0.000 0.190 1062 E C 1.508 178.150 176.600 0.071 0.000 0.977 1062 E CA 0.564 56.992 56.400 0.047 0.000 0.820 1062 E CB 0.064 29.785 29.700 0.035 0.000 0.770 1062 E HN 0.268 nan 8.360 nan 0.000 0.462 1063 D N 1.210 121.649 120.400 0.066 0.000 2.097 1063 D HA -0.122 4.528 4.640 0.017 0.000 0.195 1063 D C 1.908 178.299 176.300 0.151 0.000 0.989 1063 D CA 1.321 55.374 54.000 0.088 0.000 0.827 1063 D CB -0.222 40.610 40.800 0.053 0.000 0.966 1063 D HN 0.099 nan 8.370 nan 0.000 0.456 1064 A N 1.620 124.528 122.820 0.147 0.000 1.851 1064 A HA -0.244 4.086 4.320 0.017 0.000 0.216 1064 A C 2.079 179.903 177.584 0.400 0.000 1.195 1064 A CA 2.204 54.410 52.037 0.282 0.000 0.622 1064 A CB -0.705 18.391 19.000 0.160 0.000 0.831 1064 A HN 0.211 nan 8.150 nan 0.000 0.444 1065 K N 0.103 120.657 120.400 0.257 0.000 2.077 1065 K HA -0.332 3.999 4.320 0.017 0.000 0.213 1065 K C 2.095 178.814 176.600 0.198 0.000 1.051 1065 K CA 2.405 58.817 56.287 0.208 0.000 0.929 1065 K CB -0.242 32.322 32.500 0.106 0.000 0.715 1065 K HN 0.411 nan 8.250 nan 0.000 0.451 1066 K N 0.001 120.506 120.400 0.175 0.000 1.985 1066 K HA -0.229 4.102 4.320 0.017 0.000 0.210 1066 K C 2.185 178.880 176.600 0.157 0.000 1.047 1066 K CA 1.756 58.126 56.287 0.139 0.000 0.932 1066 K CB -0.762 31.809 32.500 0.118 0.000 0.716 1066 K HN 0.322 nan 8.250 nan 0.000 0.439 1067 Y N -0.125 120.225 120.300 0.083 0.000 2.102 1067 Y HA -0.314 4.248 4.550 0.019 0.000 0.280 1067 Y C 1.922 177.801 175.900 -0.035 0.000 1.178 1067 Y CA 2.321 60.454 58.100 0.055 0.000 1.146 1067 Y CB -0.439 38.100 38.460 0.131 0.000 0.968 1067 Y HN 0.216 nan 8.280 nan 0.000 0.504 1068 F N -0.094 119.816 119.950 -0.066 0.000 2.234 1068 F HA -0.159 4.378 4.527 0.017 0.000 0.299 1068 F C 1.862 177.504 175.800 -0.263 0.000 1.087 1068 F CA 1.331 59.106 58.000 -0.376 0.000 1.340 1068 F CB -0.229 38.449 39.000 -0.537 0.000 1.031 1068 F HN 0.040 nan 8.300 nan 0.000 0.500 1069 L N -0.516 120.708 121.223 0.002 0.000 2.156 1069 L HA -0.171 4.179 4.340 0.017 0.000 0.208 1069 L C 1.879 178.692 176.870 -0.094 0.000 1.095 1069 L CA 0.919 55.754 54.840 -0.009 0.000 0.770 1069 L CB -0.630 41.455 42.059 0.044 0.000 0.914 1069 L HN -0.029 nan 8.230 nan 0.000 0.439 1070 D N -0.490 119.821 120.400 -0.148 0.000 2.178 1070 D HA -0.169 4.481 4.640 0.017 0.000 0.201 1070 D C 2.335 178.453 176.300 -0.303 0.000 0.980 1070 D CA 0.884 54.776 54.000 -0.180 0.000 0.842 1070 D CB 0.026 40.729 40.800 -0.161 0.000 0.948 1070 D HN 0.259 nan 8.370 nan 0.000 0.472 1071 Q N 0.014 119.505 119.800 -0.515 0.000 2.123 1071 Q HA -0.009 4.342 4.340 0.017 0.000 0.199 1071 Q C 2.576 178.269 176.000 -0.511 0.000 0.966 1071 Q CA 0.389 55.800 55.803 -0.653 0.000 0.845 1071 Q CB -0.197 27.897 28.738 -1.074 0.000 0.907 1071 Q HN 0.418 nan 8.270 nan 0.000 0.439 1072 I N 1.284 121.686 120.570 -0.280 0.000 2.264 1072 I HA -0.257 3.924 4.170 0.017 0.000 0.248 1072 I C 2.110 178.213 176.117 -0.024 0.000 1.111 1072 I CA 1.143 62.463 61.300 0.033 0.000 1.382 1072 I CB -0.101 38.049 38.000 0.250 0.000 1.060 1072 I HN 0.145 nan 8.210 nan 0.000 0.418 1073 E N 0.089 120.245 120.200 -0.074 0.000 2.158 1073 E HA -0.082 4.278 4.350 0.017 0.000 0.191 1073 E C 2.427 178.945 176.600 -0.137 0.000 0.982 1073 E CA 0.776 57.136 56.400 -0.066 0.000 0.823 1073 E CB -0.106 29.570 29.700 -0.041 0.000 0.766 1073 E HN 0.314 nan 8.360 nan 0.000 0.468 1074 V N 0.876 120.665 119.914 -0.209 0.000 2.407 1074 V HA -0.276 3.855 4.120 0.017 0.000 0.248 1074 V C 2.422 178.376 176.094 -0.233 0.000 1.055 1074 V CA 1.455 63.629 62.300 -0.211 0.000 1.049 1074 V CB -0.501 31.178 31.823 -0.240 0.000 0.662 1074 V HN 0.324 nan 8.190 nan 0.000 0.455 1075 C N -0.512 118.599 119.300 -0.315 0.000 2.422 1075 C HA -0.092 4.378 4.460 0.017 0.000 0.279 1075 C C 2.829 177.680 174.990 -0.231 0.000 1.305 1075 C CA 0.591 59.424 59.018 -0.309 0.000 1.757 1075 C CB -1.197 26.311 27.740 -0.388 0.000 1.962 1075 C HN 0.493 nan 8.230 nan 0.000 0.499 1076 R N 0.974 121.367 120.500 -0.178 0.000 2.055 1076 R HA -0.067 4.283 4.340 0.017 0.000 0.228 1076 R C 1.794 178.003 176.300 -0.151 0.000 1.143 1076 R CA 1.263 57.263 56.100 -0.166 0.000 0.945 1076 R CB -0.845 29.378 30.300 -0.128 0.000 0.841 1076 R HN 0.564 nan 8.270 nan 0.000 0.429 1077 D N 1.215 121.543 120.400 -0.121 0.000 2.192 1077 D HA -0.216 4.434 4.640 0.017 0.000 0.189 1077 D C 1.771 178.015 176.300 -0.094 0.000 1.007 1077 D CA 1.719 55.663 54.000 -0.094 0.000 0.859 1077 D CB -0.077 40.674 40.800 -0.082 0.000 0.936 1077 D HN 0.033 nan 8.370 nan 0.000 0.447 1078 K N 0.165 120.496 120.400 -0.115 0.000 2.217 1078 K HA 0.078 4.409 4.320 0.017 0.000 0.202 1078 K C 1.494 178.023 176.600 -0.117 0.000 1.051 1078 K CA 0.732 56.963 56.287 -0.093 0.000 0.952 1078 K CB -0.527 31.913 32.500 -0.099 0.000 0.736 1078 K HN 0.276 nan 8.250 nan 0.000 0.453 1079 G N 0.486 109.154 108.800 -0.220 0.000 2.690 1079 G HA2 -0.359 3.611 3.960 0.017 0.000 0.334 1079 G HA3 -0.359 3.611 3.960 0.017 0.000 0.334 1079 G C 0.875 175.513 174.900 -0.437 0.000 1.250 1079 G CA 0.799 45.668 45.100 -0.385 0.000 0.994 1079 G HN 0.481 nan 8.290 nan 0.000 0.549 1080 W N 1.391 122.641 121.300 -0.084 0.000 2.905 1080 W HA 0.251 4.922 4.660 0.018 0.000 0.251 1080 W C 2.911 179.465 176.519 0.059 0.000 1.305 1080 W CA 0.711 58.008 57.345 -0.080 0.000 1.465 1080 W CB -0.294 29.154 29.460 -0.020 0.000 1.122 1080 W HN 0.522 nan 8.180 nan 0.000 0.659 1081 T N 0.950 115.649 114.554 0.242 0.000 2.564 1081 T HA -0.324 4.037 4.350 0.017 0.000 0.264 1081 T C 1.772 176.649 174.700 0.295 0.000 1.100 1081 T CA 2.277 64.542 62.100 0.274 0.000 1.171 1081 T CB -0.939 68.012 68.868 0.139 0.000 0.863 1081 T HN -0.057 nan 8.240 nan 0.000 0.430 1082 V N 1.367 121.384 119.914 0.171 0.000 2.307 1082 V HA -0.151 3.980 4.120 0.017 0.000 0.245 1082 V C 2.836 179.077 176.094 0.244 0.000 1.045 1082 V CA 1.534 63.931 62.300 0.162 0.000 1.024 1082 V CB -0.627 31.250 31.823 0.092 0.000 0.651 1082 V HN 0.420 nan 8.190 nan 0.000 0.449 1083 Q N -0.674 119.274 119.800 0.247 0.000 2.112 1083 Q HA -0.248 4.103 4.340 0.017 0.000 0.206 1083 Q C 2.147 178.556 176.000 0.681 0.000 0.987 1083 Q CA 2.207 58.221 55.803 0.351 0.000 0.858 1083 Q CB -0.598 28.164 28.738 0.039 0.000 0.905 1083 Q HN 0.740 nan 8.270 nan 0.000 0.420 1084 F N 1.657 121.931 119.950 0.540 0.000 2.259 1084 F HA -0.050 4.487 4.527 0.017 0.000 0.298 1084 F C 1.620 177.668 175.800 0.413 0.000 1.088 1084 F CA 0.921 59.278 58.000 0.594 0.000 1.358 1084 F CB -0.264 38.970 39.000 0.390 0.000 1.040 1084 F HN 0.011 nan 8.300 nan 0.000 0.505 1085 N N -0.067 118.587 118.700 -0.076 0.000 2.364 1085 N HA -0.222 4.528 4.740 0.017 0.000 0.183 1085 N C 1.494 176.868 175.510 -0.227 0.000 1.022 1085 N CA 1.229 54.074 53.050 -0.343 0.000 0.883 1085 N CB -0.721 37.703 38.487 -0.105 0.000 0.965 1085 N HN 0.627 nan 8.380 nan 0.000 0.438 1086 W N 0.408 121.592 121.300 -0.194 0.000 2.381 1086 W HA -0.044 4.626 4.660 0.017 0.000 0.301 1086 W C 1.489 177.753 176.519 -0.426 0.000 1.205 1086 W CA 1.028 58.164 57.345 -0.348 0.000 1.285 1086 W CB -0.512 28.471 29.460 -0.795 0.000 1.133 1086 W HN -0.067 nan 8.180 nan 0.000 0.521 1087 F N -0.220 119.733 119.950 0.005 0.000 2.407 1087 F HA -0.101 4.437 4.527 0.018 0.000 0.299 1087 F C 2.274 177.896 175.800 -0.296 0.000 1.097 1087 F CA 0.926 58.852 58.000 -0.122 0.000 1.422 1087 F CB -0.871 38.179 39.000 0.084 0.000 1.067 1087 F HN -0.136 nan 8.300 nan 0.000 0.539 1088 L N -0.722 120.314 121.223 -0.311 0.000 2.109 1088 L HA -0.202 4.148 4.340 0.017 0.000 0.207 1088 L C 2.656 179.318 176.870 -0.347 0.000 1.086 1088 L CA 1.355 55.949 54.840 -0.411 0.000 0.760 1088 L CB -0.421 41.209 42.059 -0.714 0.000 0.910 1088 L HN 0.177 nan 8.230 nan 0.000 0.437 1089 H N -0.023 118.830 119.070 -0.360 0.000 2.326 1089 H HA -0.092 4.475 4.556 0.017 0.000 0.301 1089 H C 2.343 177.408 175.328 -0.439 0.000 1.081 1089 H CA 1.197 57.020 56.048 -0.375 0.000 1.334 1089 H CB -0.261 29.257 29.762 -0.407 0.000 1.385 1089 H HN 0.305 nan 8.280 nan 0.000 0.504 1090 L N 1.223 122.127 121.223 -0.531 0.000 2.357 1090 L HA -0.116 4.235 4.340 0.017 0.000 0.220 1090 L C 1.683 178.410 176.870 -0.239 0.000 1.123 1090 L CA 1.000 55.542 54.840 -0.496 0.000 0.782 1090 L CB -0.380 41.278 42.059 -0.668 0.000 0.910 1090 L HN 0.154 nan 8.230 nan 0.000 0.442 1091 V N -2.761 117.047 119.914 -0.178 0.000 3.063 1091 V HA 0.419 4.550 4.120 0.017 0.000 0.379 1091 V C 0.120 176.171 176.094 -0.072 0.000 1.310 1091 V CA -0.183 62.058 62.300 -0.099 0.000 1.333 1091 V CB -0.063 31.717 31.823 -0.072 0.000 1.331 1091 V HN 0.167 nan 8.190 nan 0.000 0.527 1092 L N -0.449 120.734 121.223 -0.066 0.000 3.020 1092 L HA 0.830 5.180 4.340 0.017 0.000 0.273 1092 L C -0.129 176.735 176.870 -0.010 0.000 1.018 1092 L CA -0.015 54.825 54.840 0.001 0.000 0.950 1092 L CB 1.926 44.030 42.059 0.074 0.000 1.510 1092 L HN 0.414 nan 8.230 nan 0.000 0.404 1093 G N 0.000 108.792 108.800 -0.013 0.000 5.446 1093 G HA2 0.000 3.970 3.960 0.017 0.000 0.244 1093 G HA3 0.000 3.970 3.960 0.017 0.000 0.244 1093 G CA 0.000 nan 45.100 nan 0.000 0.502 1093 G HN 0.000 nan 8.290 nan 0.000 0.925