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 3l08_1_A DATA FIRST_RESID 144 DATA SEQUENCE SEESQAFQRQ LTALIGYDVT DVSNVHDDEL EFTRRGLVTP RMAEVASRDP DATA SEQUENCE KLYAMHPWVT SKPLPEYLWK KIANNCIFIV IHRSTTSQTI KVSPDDTPGA DATA SEQUENCE ILQSFFTKXX XXXXXXXXXX XXXXXDFVLR VCGRDEYLVG ETPIKNFQWV DATA SEQUENCE RHCLKNGEEI HVVLDTPPDP ALDEVRKEXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXVS LWDCDRKFRV KIRGIDIPVX XXXXXLTVFV EANIQHGQQV DATA SEQUENCE LCQRRTSPKP FTEEVLWNVW LEFSIKIKDL PKGALLNLQI YCGXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXVQLLYY VNLLLIDHRF LLRRGEYVLH MWQISXXXXX DATA SEQUENCE XGSFNADKLT SATNPDKENS MSISILLXXX XXXIALPKHQ 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 KVTLDIKSLX XXXXDVSSQV ISQLKQKLEN LQNXXLPESF RVPYDPGLKA DATA SEQUENCE GALAIEKCKV MASKKKPLWL EFKCADPTAL SNETIGIIFK HGDDLRQDML DATA SEQUENCE ILQILRIMES IWETESLDLC LLPYGCISTG DKIGMIEIVK DATTIAKIQQ DATA SEQUENCE SXXXXXGAFK DEVLNHWLKE KSPTEEKFQA AVERFVYSCA GYCVATFVLG DATA SEQUENCE IGDRHNDNIM ITETGNLFHI DFGHILGXXX XXXXXXXXRV PFVLTPDFLF DATA SEQUENCE VMGTSGKKTS PHFQKFQDIC VKAYLALRHH TNLLIILFSM MLMTGMPQLT DATA SEQUENCE SKEDIEYIRD ALTVGKNEED AKKYFLDQIE VCRDKGWTVQ FNWFLHL 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 0.000 174.617 174.600 0.028 0.000 1.055 144 S CA 0.000 58.215 58.200 0.024 0.000 1.107 144 S CB 0.000 63.216 63.200 0.027 0.000 0.593 145 E N 0.388 120.604 120.200 0.026 0.000 2.391 145 E HA 0.149 4.505 4.350 0.009 0.000 0.206 145 E C 1.277 177.901 176.600 0.040 0.000 0.851 145 E CA 0.352 56.769 56.400 0.029 0.000 1.059 145 E CB 0.051 29.762 29.700 0.019 0.000 1.065 145 E HN 0.578 nan 8.360 nan 0.000 0.512 146 E N 1.438 121.659 120.200 0.036 0.000 2.152 146 E HA -0.088 4.267 4.350 0.009 0.000 0.192 146 E C 1.881 178.541 176.600 0.100 0.000 0.983 146 E CA 1.422 57.849 56.400 0.044 0.000 0.818 146 E CB -0.082 29.619 29.700 0.003 0.000 0.758 146 E HN 0.094 nan 8.360 nan 0.000 0.467 147 S N -0.237 115.527 115.700 0.107 0.000 2.423 147 S HA -0.159 4.316 4.470 0.009 0.000 0.231 147 S C 1.817 176.521 174.600 0.174 0.000 1.014 147 S CA 0.661 58.978 58.200 0.195 0.000 0.965 147 S CB -0.268 63.013 63.200 0.135 0.000 0.785 147 S HN 0.168 nan 8.310 nan 0.000 0.495 148 Q N 2.002 121.863 119.800 0.101 0.000 1.990 148 Q HA 0.133 4.479 4.340 0.009 0.000 0.200 148 Q C 2.430 178.473 176.000 0.071 0.000 0.980 148 Q CA 1.684 57.525 55.803 0.063 0.000 0.832 148 Q CB -1.104 27.658 28.738 0.040 0.000 0.897 148 Q HN 0.727 nan 8.270 nan 0.000 0.427 149 A N -0.260 122.613 122.820 0.088 0.000 2.263 149 A HA -0.061 4.264 4.320 0.009 0.000 0.205 149 A C 1.308 178.991 177.584 0.166 0.000 1.226 149 A CA 0.509 52.601 52.037 0.092 0.000 0.810 149 A CB -0.555 18.489 19.000 0.074 0.000 0.784 149 A HN 0.352 nan 8.150 nan 0.000 0.486 150 F N -1.187 118.766 119.950 0.005 0.000 2.667 150 F HA 0.205 4.737 4.527 0.008 0.000 0.288 150 F C 1.793 177.597 175.800 0.007 0.000 1.086 150 F CA 0.835 58.838 58.000 0.006 0.000 1.297 150 F CB 0.001 39.003 39.000 0.002 0.000 1.059 150 F HN 0.240 nan 8.300 nan 0.000 0.624 151 Q N 0.949 120.629 119.800 -0.201 0.000 2.230 151 Q HA -0.031 4.315 4.340 0.009 0.000 0.202 151 Q C 2.035 177.930 176.000 -0.175 0.000 0.963 151 Q CA 1.635 57.273 55.803 -0.274 0.000 0.866 151 Q CB -0.150 28.518 28.738 -0.118 0.000 0.931 151 Q HN 0.401 nan 8.270 nan 0.000 0.452 152 R N -0.457 119.991 120.500 -0.086 0.000 2.115 152 R HA -0.096 4.250 4.340 0.009 0.000 0.226 152 R C 2.287 178.557 176.300 -0.049 0.000 1.100 152 R CA 1.311 57.381 56.100 -0.051 0.000 0.980 152 R CB -0.226 30.067 30.300 -0.012 0.000 0.875 152 R HN 0.433 nan 8.270 nan 0.000 0.445 153 Q N 1.289 121.061 119.800 -0.047 0.000 2.046 153 Q HA -0.140 4.205 4.340 0.009 0.000 0.200 153 Q C 2.135 178.092 176.000 -0.071 0.000 0.975 153 Q CA 1.281 57.073 55.803 -0.019 0.000 0.836 153 Q CB -0.022 28.754 28.738 0.064 0.000 0.896 153 Q HN 0.325 nan 8.270 nan 0.000 0.428 154 L N 0.244 121.347 121.223 -0.200 0.000 2.013 154 L HA -0.244 4.101 4.340 0.009 0.000 0.212 154 L C 2.568 179.383 176.870 -0.091 0.000 1.073 154 L CA 1.863 56.590 54.840 -0.189 0.000 0.753 154 L CB -0.904 40.953 42.059 -0.337 0.000 0.890 154 L HN 0.328 nan 8.230 nan 0.000 0.432 155 T N -0.131 114.370 114.554 -0.089 0.000 2.699 155 T HA -0.230 4.125 4.350 0.009 0.000 0.268 155 T C 1.937 176.624 174.700 -0.022 0.000 1.036 155 T CA 1.469 63.541 62.100 -0.047 0.000 1.147 155 T CB -0.288 68.545 68.868 -0.059 0.000 0.862 155 T HN 0.492 nan 8.240 nan 0.000 0.446 156 A N 0.737 123.546 122.820 -0.018 0.000 1.969 156 A HA 0.108 4.433 4.320 0.009 0.000 0.218 156 A C 2.293 179.891 177.584 0.023 0.000 1.169 156 A CA 0.958 52.999 52.037 0.006 0.000 0.635 156 A CB -0.626 18.382 19.000 0.012 0.000 0.810 156 A HN 0.468 nan 8.150 nan 0.000 0.445 157 L N -0.795 120.447 121.223 0.030 0.000 2.044 157 L HA -0.092 4.254 4.340 0.009 0.000 0.205 157 L C 2.453 179.328 176.870 0.009 0.000 1.075 157 L CA 1.048 55.938 54.840 0.083 0.000 0.747 157 L CB -0.453 41.680 42.059 0.123 0.000 0.903 157 L HN 0.345 nan 8.230 nan 0.000 0.435 158 I N -0.219 120.337 120.570 -0.023 0.000 2.179 158 I HA -0.180 3.995 4.170 0.009 0.000 0.242 158 I C 1.540 177.620 176.117 -0.062 0.000 1.088 158 I CA 1.321 62.574 61.300 -0.078 0.000 1.357 158 I CB -0.528 37.463 38.000 -0.015 0.000 1.051 158 I HN 0.503 nan 8.210 nan 0.000 0.409 159 G N -0.180 108.622 108.800 0.003 0.000 2.140 159 G HA2 -0.300 3.665 3.960 0.009 0.000 0.211 159 G HA3 -0.300 3.665 3.960 0.009 0.000 0.211 159 G C -0.180 174.798 174.900 0.130 0.000 1.013 159 G CA 0.049 45.172 45.100 0.038 0.000 0.705 159 G HN 0.414 nan 8.290 nan 0.000 0.508 160 Y N -0.686 119.591 120.300 -0.038 0.000 2.583 160 Y HA 0.458 5.014 4.550 0.009 0.000 0.330 160 Y C -1.858 174.020 175.900 -0.037 0.000 1.185 160 Y CA -0.918 57.165 58.100 -0.028 0.000 1.107 160 Y CB 1.538 39.986 38.460 -0.020 0.000 1.344 160 Y HN 0.081 nan 8.280 nan 0.000 0.463 161 D N 3.499 123.609 120.400 -0.484 0.000 2.396 161 D HA 0.255 4.900 4.640 0.009 0.000 0.225 161 D C 0.794 177.052 176.300 -0.070 0.000 1.121 161 D CA -0.061 53.794 54.000 -0.242 0.000 0.853 161 D CB 1.466 42.096 40.800 -0.284 0.000 1.043 161 D HN 0.514 nan 8.370 nan 0.000 0.500 162 V N 1.958 121.932 119.914 0.099 0.000 3.444 162 V HA -0.023 4.103 4.120 0.009 0.000 0.271 162 V C 1.494 177.619 176.094 0.053 0.000 1.188 162 V CA 1.562 63.944 62.300 0.137 0.000 1.168 162 V CB -1.156 30.712 31.823 0.076 0.000 0.810 162 V HN 0.621 nan 8.190 nan 0.000 0.500 163 T N -3.043 111.512 114.554 0.002 0.000 3.040 163 T HA 0.059 4.414 4.350 0.009 0.000 0.252 163 T C 0.800 175.491 174.700 -0.016 0.000 1.064 163 T CA 0.508 62.603 62.100 -0.009 0.000 1.110 163 T CB -0.332 68.521 68.868 -0.024 0.000 0.921 163 T HN 0.490 nan 8.240 nan 0.000 0.480 164 D N 2.794 123.161 120.400 -0.055 0.000 2.520 164 D HA 0.044 4.690 4.640 0.009 0.000 0.243 164 D C 0.853 177.148 176.300 -0.009 0.000 1.160 164 D CA 0.269 54.227 54.000 -0.070 0.000 0.877 164 D CB 0.864 41.555 40.800 -0.182 0.000 1.150 164 D HN 0.334 nan 8.370 nan 0.000 0.494 165 V N 1.567 121.479 119.914 -0.004 0.000 3.006 165 V HA 0.188 4.314 4.120 0.009 0.000 0.357 165 V C 1.236 177.338 176.094 0.014 0.000 1.377 165 V CA 0.260 62.570 62.300 0.016 0.000 1.198 165 V CB -0.367 31.468 31.823 0.020 0.000 1.216 165 V HN 0.495 nan 8.190 nan 0.000 0.520 166 S N -0.563 115.139 115.700 0.002 0.000 2.603 166 S HA 0.113 4.588 4.470 0.009 0.000 0.220 166 S C 1.094 175.701 174.600 0.011 0.000 0.967 166 S CA 0.950 59.148 58.200 -0.002 0.000 0.920 166 S CB -0.422 62.763 63.200 -0.026 0.000 0.773 166 S HN 0.603 nan 8.310 nan 0.000 0.529 167 N N 0.771 119.488 118.700 0.029 0.000 2.307 167 N HA 0.164 4.909 4.740 0.009 0.000 0.248 167 N C -0.697 174.835 175.510 0.036 0.000 1.322 167 N CA -0.027 53.046 53.050 0.038 0.000 0.861 167 N CB 1.535 40.047 38.487 0.041 0.000 1.303 167 N HN 0.367 nan 8.380 nan 0.000 0.498 168 V N -0.353 119.577 119.914 0.026 0.000 2.628 168 V HA 0.583 4.708 4.120 0.009 0.000 0.306 168 V C 0.541 176.651 176.094 0.027 0.000 1.045 168 V CA -0.558 61.721 62.300 -0.035 0.000 0.905 168 V CB 1.484 33.291 31.823 -0.026 0.000 0.997 168 V HN 0.314 nan 8.190 nan 0.000 0.436 169 H N 1.016 120.171 119.070 0.142 0.000 2.594 169 H HA 0.568 5.129 4.556 0.009 0.000 0.279 169 H C -0.098 175.351 175.328 0.201 0.000 1.042 169 H CA 0.068 56.222 56.048 0.177 0.000 1.177 169 H CB 0.006 29.936 29.762 0.281 0.000 1.524 169 H HN 0.848 nan 8.280 nan 0.000 0.537 170 D N -0.778 119.709 120.400 0.144 0.000 2.921 170 D HA 0.050 4.695 4.640 0.009 0.000 0.329 170 D C -0.388 175.991 176.300 0.132 0.000 1.293 170 D CA -0.513 53.612 54.000 0.207 0.000 0.964 170 D CB 0.088 41.078 40.800 0.317 0.000 1.435 170 D HN 0.092 nan 8.370 nan 0.000 0.548 171 D N -1.323 119.186 120.400 0.183 0.000 2.559 171 D HA 0.064 4.709 4.640 0.009 0.000 0.234 171 D C 0.681 177.015 176.300 0.057 0.000 1.226 171 D CA -0.244 53.840 54.000 0.140 0.000 0.830 171 D CB 0.298 41.208 40.800 0.183 0.000 1.028 171 D HN 0.562 nan 8.370 nan 0.000 0.492 172 E N 0.789 120.905 120.200 -0.141 0.000 2.031 172 E HA -0.142 4.214 4.350 0.009 0.000 0.193 172 E C 1.956 178.537 176.600 -0.031 0.000 0.994 172 E CA 0.748 56.866 56.400 -0.471 0.000 0.800 172 E CB 0.036 29.524 29.700 -0.353 0.000 0.752 172 E HN 0.278 nan 8.360 nan 0.000 0.447 173 L N 0.666 121.897 121.223 0.013 0.000 2.013 173 L HA -0.235 4.110 4.340 0.009 0.000 0.212 173 L C 2.723 179.596 176.870 0.004 0.000 1.073 173 L CA 1.601 56.403 54.840 -0.062 0.000 0.753 173 L CB -0.480 41.500 42.059 -0.131 0.000 0.890 173 L HN 0.194 nan 8.230 nan 0.000 0.432 174 E N 0.198 120.426 120.200 0.047 0.000 2.047 174 E HA -0.258 4.098 4.350 0.009 0.000 0.191 174 E C 1.980 178.646 176.600 0.111 0.000 0.987 174 E CA 1.316 57.759 56.400 0.072 0.000 0.799 174 E CB -0.352 29.403 29.700 0.091 0.000 0.752 174 E HN 0.331 nan 8.360 nan 0.000 0.449 175 F N 0.788 120.744 119.950 0.010 0.000 2.161 175 F HA -0.223 4.310 4.527 0.009 0.000 0.300 175 F C 2.096 177.915 175.800 0.033 0.000 1.089 175 F CA 2.072 60.098 58.000 0.044 0.000 1.282 175 F CB -0.614 38.438 39.000 0.086 0.000 1.010 175 F HN 0.023 nan 8.300 nan 0.000 0.485 176 T N 0.505 115.104 114.554 0.074 0.000 2.777 176 T HA -0.146 4.210 4.350 0.009 0.000 0.266 176 T C 2.026 176.693 174.700 -0.055 0.000 1.040 176 T CA 1.381 63.481 62.100 0.000 0.000 1.141 176 T CB -0.269 68.648 68.868 0.081 0.000 0.868 176 T HN 0.262 nan 8.240 nan 0.000 0.444 177 R N 0.883 121.363 120.500 -0.033 0.000 2.096 177 R HA -0.053 4.293 4.340 0.009 0.000 0.240 177 R C 2.756 179.021 176.300 -0.059 0.000 1.139 177 R CA 1.393 57.474 56.100 -0.032 0.000 0.952 177 R CB -0.212 30.080 30.300 -0.013 0.000 0.854 177 R HN 0.387 nan 8.270 nan 0.000 0.436 178 R N -0.519 119.923 120.500 -0.098 0.000 2.066 178 R HA -0.045 4.300 4.340 0.009 0.000 0.232 178 R C 2.482 178.673 176.300 -0.183 0.000 1.131 178 R CA 1.240 57.264 56.100 -0.127 0.000 0.955 178 R CB -0.547 29.669 30.300 -0.139 0.000 0.851 178 R HN 0.325 nan 8.270 nan 0.000 0.432 179 G N 1.376 109.992 108.800 -0.306 0.000 2.450 179 G HA2 -0.221 3.745 3.960 0.009 0.000 0.220 179 G HA3 -0.221 3.745 3.960 0.009 0.000 0.220 179 G C 1.374 176.202 174.900 -0.120 0.000 1.130 179 G CA 0.465 45.396 45.100 -0.281 0.000 0.760 179 G HN 0.151 nan 8.290 nan 0.000 0.557 180 L N 0.676 121.852 121.223 -0.079 0.000 2.552 180 L HA 0.030 4.375 4.340 0.009 0.000 0.227 180 L C 2.642 179.502 176.870 -0.017 0.000 1.146 180 L CA -0.213 54.612 54.840 -0.025 0.000 0.858 180 L CB -0.006 42.052 42.059 -0.002 0.000 0.969 180 L HN 0.091 nan 8.230 nan 0.000 0.451 181 V N -0.587 119.307 119.914 -0.034 0.000 2.358 181 V HA -0.253 3.872 4.120 0.009 0.000 0.246 181 V C 2.507 178.592 176.094 -0.015 0.000 1.047 181 V CA 2.173 64.460 62.300 -0.021 0.000 1.035 181 V CB -0.549 31.259 31.823 -0.025 0.000 0.658 181 V HN 0.444 nan 8.190 nan 0.000 0.452 182 T N 0.454 114.997 114.554 -0.019 0.000 2.674 182 T HA -0.107 4.248 4.350 0.009 0.000 0.265 182 T C 0.006 174.705 174.700 -0.000 0.000 1.039 182 T CA 2.118 64.212 62.100 -0.010 0.000 1.150 182 T CB -1.177 67.685 68.868 -0.010 0.000 0.864 182 T HN 0.434 nan 8.240 nan 0.000 0.427 183 P HA -0.065 nan 4.420 nan 0.000 0.215 183 P C 1.482 178.790 177.300 0.012 0.000 1.153 183 P CA 1.129 64.240 63.100 0.018 0.000 0.853 183 P CB -0.049 31.670 31.700 0.032 0.000 0.788 184 R N -0.286 120.220 120.500 0.010 0.000 2.080 184 R HA -0.099 4.246 4.340 0.009 0.000 0.236 184 R C 2.182 178.474 176.300 -0.014 0.000 1.137 184 R CA 2.055 58.157 56.100 0.004 0.000 0.943 184 R CB -0.814 29.489 30.300 0.005 0.000 0.846 184 R HN 0.088 nan 8.270 nan 0.000 0.431 185 M N 0.013 119.605 119.600 -0.014 0.000 2.229 185 M HA -0.047 4.438 4.480 0.009 0.000 0.264 185 M C 2.400 178.687 176.300 -0.022 0.000 1.063 185 M CA 1.453 56.740 55.300 -0.021 0.000 1.114 185 M CB -0.111 32.480 32.600 -0.016 0.000 1.387 185 M HN 0.408 nan 8.290 nan 0.000 0.420 186 A N 0.249 123.062 122.820 -0.012 0.000 1.877 186 A HA -0.217 4.108 4.320 0.009 0.000 0.216 186 A C 1.948 179.522 177.584 -0.017 0.000 1.186 186 A CA 2.178 54.210 52.037 -0.008 0.000 0.620 186 A CB -0.617 18.386 19.000 0.004 0.000 0.822 186 A HN 0.434 nan 8.150 nan 0.000 0.443 187 E N -0.177 120.011 120.200 -0.019 0.000 2.046 187 E HA -0.089 4.267 4.350 0.009 0.000 0.190 187 E C 1.861 178.418 176.600 -0.072 0.000 0.982 187 E CA 1.445 57.825 56.400 -0.033 0.000 0.800 187 E CB -0.502 29.184 29.700 -0.022 0.000 0.756 187 E HN 0.195 nan 8.360 nan 0.000 0.449 188 V N 1.191 121.055 119.914 -0.084 0.000 2.252 188 V HA -0.335 3.790 4.120 0.009 0.000 0.249 188 V C 2.427 178.459 176.094 -0.103 0.000 1.056 188 V CA 2.217 64.442 62.300 -0.125 0.000 1.022 188 V CB -1.119 30.644 31.823 -0.100 0.000 0.641 188 V HN 0.487 nan 8.190 nan 0.000 0.445 189 A N 0.190 122.971 122.820 -0.065 0.000 2.019 189 A HA -0.143 4.183 4.320 0.009 0.000 0.219 189 A C 2.158 179.716 177.584 -0.043 0.000 1.164 189 A CA 1.980 53.987 52.037 -0.049 0.000 0.644 189 A CB -0.453 18.527 19.000 -0.032 0.000 0.805 189 A HN 0.740 nan 8.150 nan 0.000 0.449 190 S N -0.653 115.021 115.700 -0.043 0.000 2.574 190 S HA 0.260 4.735 4.470 0.009 0.000 0.242 190 S C 0.410 174.990 174.600 -0.034 0.000 0.982 190 S CA -0.503 57.680 58.200 -0.028 0.000 0.977 190 S CB -0.301 62.891 63.200 -0.013 0.000 0.814 190 S HN 0.702 nan 8.310 nan 0.000 0.464 191 R N 0.535 120.995 120.500 -0.066 0.000 2.428 191 R HA 0.530 4.876 4.340 0.009 0.000 0.294 191 R C -1.225 175.052 176.300 -0.038 0.000 1.000 191 R CA -0.538 55.519 56.100 -0.072 0.000 0.960 191 R CB 0.360 30.546 30.300 -0.190 0.000 1.076 191 R HN 0.050 nan 8.270 nan 0.000 0.475 192 D N 3.465 123.874 120.400 0.015 0.000 2.383 192 D HA 0.114 4.759 4.640 0.009 0.000 0.252 192 D C -1.613 174.731 176.300 0.074 0.000 1.166 192 D CA -1.802 52.222 54.000 0.040 0.000 0.879 192 D CB 1.490 42.323 40.800 0.056 0.000 1.164 192 D HN 0.341 nan 8.370 nan 0.000 0.462 193 P HA -0.163 nan 4.420 nan 0.000 0.213 193 P C 0.784 178.135 177.300 0.084 0.000 1.170 193 P CA 1.534 64.675 63.100 0.068 0.000 0.898 193 P CB 0.207 31.922 31.700 0.024 0.000 0.787 194 K N -0.680 119.743 120.400 0.039 0.000 2.057 194 K HA -0.037 4.289 4.320 0.009 0.000 0.206 194 K C 2.132 178.742 176.600 0.016 0.000 1.050 194 K CA 1.105 57.394 56.287 0.003 0.000 0.935 194 K CB -0.679 31.811 32.500 -0.018 0.000 0.715 194 K HN 0.122 nan 8.250 nan 0.000 0.439 195 L N -0.281 120.980 121.223 0.062 0.000 2.217 195 L HA -0.143 4.202 4.340 0.009 0.000 0.211 195 L C 2.355 179.311 176.870 0.144 0.000 1.107 195 L CA 0.782 55.673 54.840 0.085 0.000 0.783 195 L CB -0.285 41.831 42.059 0.096 0.000 0.919 195 L HN 0.182 nan 8.230 nan 0.000 0.442 196 Y N 0.700 121.026 120.300 0.044 0.000 2.263 196 Y HA -0.151 4.404 4.550 0.009 0.000 0.292 196 Y C 2.468 178.425 175.900 0.095 0.000 1.130 196 Y CA 0.964 59.105 58.100 0.068 0.000 1.179 196 Y CB -0.151 38.333 38.460 0.040 0.000 0.998 196 Y HN 0.082 nan 8.280 nan 0.000 0.532 197 A N -0.156 122.689 122.820 0.042 0.000 1.930 197 A HA -0.153 4.172 4.320 0.009 0.000 0.217 197 A C 2.184 179.761 177.584 -0.012 0.000 1.175 197 A CA 1.985 54.003 52.037 -0.031 0.000 0.627 197 A CB -0.558 18.420 19.000 -0.036 0.000 0.815 197 A HN 0.543 nan 8.150 nan 0.000 0.443 198 M N -1.672 117.877 119.600 -0.085 0.000 2.516 198 M HA 0.079 4.564 4.480 0.009 0.000 0.259 198 M C 0.283 176.363 176.300 -0.367 0.000 1.146 198 M CA 0.581 55.745 55.300 -0.228 0.000 1.122 198 M CB -0.046 32.337 32.600 -0.361 0.000 1.341 198 M HN 0.790 nan 8.290 nan 0.000 0.478 199 H N -1.381 117.714 119.070 0.042 0.000 2.496 199 H HA -0.094 4.467 4.556 0.008 0.000 0.323 199 H C -2.689 172.732 175.328 0.155 0.000 1.054 199 H CA -0.808 55.270 56.048 0.051 0.000 1.095 199 H CB -2.498 27.233 29.762 -0.051 0.000 1.595 199 H HN 0.129 nan 8.280 nan 0.000 0.388 200 P HA -0.085 nan 4.420 nan 0.000 0.264 200 P C -0.148 177.356 177.300 0.341 0.000 1.193 200 P CA 0.118 63.386 63.100 0.280 0.000 0.763 200 P CB 0.414 32.280 31.700 0.276 0.000 0.810 201 W N 6.890 128.303 121.300 0.188 0.000 2.316 201 W HA 0.395 5.060 4.660 0.008 0.000 0.339 201 W C -1.005 175.544 176.519 0.051 0.000 1.002 201 W CA -0.791 56.637 57.345 0.138 0.000 1.465 201 W CB -0.102 29.463 29.460 0.176 0.000 1.300 201 W HN 0.150 nan 8.180 nan 0.000 0.378 202 V N 2.644 122.681 119.914 0.205 0.000 3.158 202 V HA 0.915 5.041 4.120 0.009 0.000 0.315 202 V C -0.584 175.501 176.094 -0.015 0.000 1.148 202 V CA -0.938 61.283 62.300 -0.132 0.000 1.042 202 V CB 1.457 33.048 31.823 -0.387 0.000 1.101 202 V HN 0.293 nan 8.190 nan 0.000 0.448 203 T N -0.746 113.751 114.554 -0.094 0.000 2.923 203 T HA 0.455 4.810 4.350 0.009 0.000 0.311 203 T C 0.312 174.982 174.700 -0.049 0.000 1.183 203 T CA 0.271 62.354 62.100 -0.028 0.000 1.020 203 T CB 2.005 70.855 68.868 -0.030 0.000 1.165 203 T HN 0.829 nan 8.240 nan 0.000 0.482 204 S N 1.950 117.642 115.700 -0.014 0.000 2.548 204 S HA 0.207 4.682 4.470 0.009 0.000 0.215 204 S C 0.735 175.328 174.600 -0.012 0.000 0.976 204 S CA -0.100 58.091 58.200 -0.015 0.000 0.908 204 S CB -0.008 63.193 63.200 0.002 0.000 0.781 204 S HN 0.563 nan 8.310 nan 0.000 0.519 205 K N 2.316 122.708 120.400 -0.014 0.000 2.397 205 K HA 0.117 4.442 4.320 0.009 0.000 0.265 205 K C -2.634 173.949 176.600 -0.027 0.000 0.982 205 K CA -1.022 55.255 56.287 -0.016 0.000 0.931 205 K CB -0.199 32.289 32.500 -0.020 0.000 0.943 205 K HN 0.038 nan 8.250 nan 0.000 0.501 206 P HA 0.019 nan 4.420 nan 0.000 0.274 206 P C -0.899 176.357 177.300 -0.073 0.000 1.237 206 P CA -0.589 62.515 63.100 0.006 0.000 0.793 206 P CB 0.419 32.151 31.700 0.054 0.000 0.977 207 L N 4.692 125.831 121.223 -0.141 0.000 2.418 207 L HA 0.293 4.638 4.340 0.009 0.000 0.274 207 L C -2.231 174.400 176.870 -0.399 0.000 1.135 207 L CA -1.904 52.683 54.840 -0.421 0.000 0.870 207 L CB -0.611 40.913 42.059 -0.890 0.000 1.154 207 L HN 0.274 nan 8.230 nan 0.000 0.462 208 P HA -0.031 nan 4.420 nan 0.000 0.266 208 P C 0.257 177.298 177.300 -0.433 0.000 1.186 208 P CA 0.186 62.951 63.100 -0.559 0.000 0.767 208 P CB 0.471 31.459 31.700 -1.187 0.000 0.820 209 E N 1.299 121.394 120.200 -0.175 0.000 2.085 209 E HA -0.238 4.117 4.350 0.009 0.000 0.194 209 E C 1.627 178.260 176.600 0.056 0.000 0.994 209 E CA 1.523 57.998 56.400 0.125 0.000 0.801 209 E CB -0.513 29.259 29.700 0.120 0.000 0.743 209 E HN 0.666 nan 8.360 nan 0.000 0.453 210 Y N -0.610 119.730 120.300 0.067 0.000 2.509 210 Y HA -0.005 4.550 4.550 0.009 0.000 0.293 210 Y C 1.881 177.768 175.900 -0.020 0.000 1.133 210 Y CA 0.356 58.461 58.100 0.008 0.000 1.283 210 Y CB -0.263 38.166 38.460 -0.051 0.000 1.001 210 Y HN -0.051 nan 8.280 nan 0.000 0.555 211 L N -1.378 119.669 121.223 -0.293 0.000 2.341 211 L HA -0.047 4.298 4.340 0.009 0.000 0.214 211 L C 1.794 178.537 176.870 -0.213 0.000 1.115 211 L CA 0.970 55.658 54.840 -0.253 0.000 0.820 211 L CB -0.689 41.108 42.059 -0.436 0.000 0.944 211 L HN 0.442 nan 8.230 nan 0.000 0.452 212 W N 1.088 122.314 121.300 -0.123 0.000 2.378 212 W HA -0.161 4.505 4.660 0.009 0.000 0.313 212 W C 2.000 178.495 176.519 -0.040 0.000 1.197 212 W CA 0.464 57.763 57.345 -0.076 0.000 1.304 212 W CB -0.056 29.359 29.460 -0.076 0.000 1.148 212 W HN -0.068 nan 8.180 nan 0.000 0.494 213 K N 0.742 121.280 120.400 0.229 0.000 2.732 213 K HA -0.130 4.195 4.320 0.009 0.000 0.206 213 K C 0.965 177.622 176.600 0.095 0.000 0.992 213 K CA 0.737 57.108 56.287 0.139 0.000 1.035 213 K CB -0.287 32.281 32.500 0.112 0.000 0.843 213 K HN 0.086 nan 8.250 nan 0.000 0.488 214 K N 0.668 121.118 120.400 0.084 0.000 2.533 214 K HA 0.169 4.494 4.320 0.009 0.000 0.202 214 K C -0.748 175.882 176.600 0.051 0.000 1.096 214 K CA -0.087 56.227 56.287 0.046 0.000 1.056 214 K CB 0.840 33.344 32.500 0.006 0.000 0.890 214 K HN -0.045 nan 8.250 nan 0.000 0.552 215 I N 2.093 122.718 120.570 0.091 0.000 2.382 215 I HA 0.326 4.501 4.170 0.009 0.000 0.285 215 I C -0.254 175.926 176.117 0.104 0.000 1.007 215 I CA -0.822 60.535 61.300 0.096 0.000 1.142 215 I CB 1.102 39.184 38.000 0.136 0.000 1.289 215 I HN -0.000 nan 8.210 nan 0.000 0.453 216 A N 6.079 128.954 122.820 0.092 0.000 2.310 216 A HA 0.389 4.715 4.320 0.009 0.000 0.300 216 A C 0.626 178.247 177.584 0.062 0.000 1.269 216 A CA -0.130 51.959 52.037 0.086 0.000 0.909 216 A CB -0.262 18.805 19.000 0.112 0.000 1.144 216 A HN 0.769 nan 8.150 nan 0.000 0.540 217 N N 1.660 120.390 118.700 0.049 0.000 2.696 217 N HA -0.170 4.575 4.740 0.009 0.000 0.256 217 N C -0.180 175.339 175.510 0.014 0.000 1.031 217 N CA 1.263 54.330 53.050 0.028 0.000 0.730 217 N CB -1.295 37.207 38.487 0.025 0.000 0.894 217 N HN 0.799 nan 8.380 nan 0.000 0.544 218 N N -1.491 117.233 118.700 0.040 0.000 2.702 218 N HA -0.221 4.524 4.740 0.009 0.000 0.255 218 N C -0.570 174.926 175.510 -0.024 0.000 0.983 218 N CA 1.353 54.430 53.050 0.045 0.000 0.768 218 N CB -0.983 37.528 38.487 0.040 0.000 0.918 218 N HN 0.659 nan 8.380 nan 0.000 0.540 219 C N 0.621 119.876 119.300 -0.075 0.000 2.481 219 C HA 0.710 5.175 4.460 0.009 0.000 0.324 219 C C -0.373 174.432 174.990 -0.309 0.000 1.170 219 C CA -0.962 57.914 59.018 -0.237 0.000 1.361 219 C CB 0.418 27.956 27.740 -0.336 0.000 1.977 219 C HN 0.334 nan 8.230 nan 0.000 0.459 220 I N 5.619 125.991 120.570 -0.329 0.000 2.406 220 I HA 0.429 4.604 4.170 0.009 0.000 0.290 220 I C -0.794 175.130 176.117 -0.321 0.000 0.999 220 I CA -0.302 60.854 61.300 -0.240 0.000 1.124 220 I CB 1.414 39.350 38.000 -0.108 0.000 1.289 220 I HN 0.486 nan 8.210 nan 0.000 0.441 221 F N 6.531 126.464 119.950 -0.028 0.000 2.411 221 F HA 0.478 5.010 4.527 0.009 0.000 0.350 221 F C 0.291 176.055 175.800 -0.060 0.000 1.114 221 F CA -0.364 57.614 58.000 -0.036 0.000 1.135 221 F CB 0.775 39.752 39.000 -0.038 0.000 1.120 221 F HN 0.162 nan 8.300 nan 0.000 0.495 222 I N 4.369 124.997 120.570 0.097 0.000 2.411 222 I HA 0.245 4.420 4.170 0.009 0.000 0.284 222 I C -0.955 175.173 176.117 0.019 0.000 1.012 222 I CA -0.853 60.460 61.300 0.022 0.000 1.119 222 I CB 1.605 39.603 38.000 -0.003 0.000 1.261 222 I HN 0.186 nan 8.210 nan 0.000 0.448 223 V N 7.429 127.315 119.914 -0.046 0.000 2.356 223 V HA 0.262 4.388 4.120 0.009 0.000 0.258 223 V C 0.493 176.664 176.094 0.129 0.000 1.065 223 V CA -0.132 62.161 62.300 -0.012 0.000 0.935 223 V CB 0.329 32.078 31.823 -0.124 0.000 1.061 223 V HN 0.487 nan 8.190 nan 0.000 0.484 224 I N 5.536 126.147 120.570 0.069 0.000 2.352 224 I HA 0.300 4.475 4.170 0.009 0.000 0.290 224 I C 0.409 176.579 176.117 0.088 0.000 1.036 224 I CA -0.187 61.139 61.300 0.044 0.000 1.336 224 I CB 0.338 38.180 38.000 -0.263 0.000 1.407 224 I HN 0.574 nan 8.210 nan 0.000 0.497 225 H N 5.580 124.648 119.070 -0.005 0.000 2.467 225 H HA 0.419 4.980 4.556 0.009 0.000 0.326 225 H C 0.714 176.037 175.328 -0.008 0.000 1.094 225 H CA -0.537 55.525 56.048 0.023 0.000 1.253 225 H CB 1.486 31.274 29.762 0.043 0.000 1.439 225 H HN 0.756 nan 8.280 nan 0.000 0.479 226 R N 1.974 122.537 120.500 0.106 0.000 2.005 226 R HA 0.122 4.468 4.340 0.009 0.000 0.213 226 R C 1.480 177.824 176.300 0.074 0.000 1.308 226 R CA 1.361 57.498 56.100 0.062 0.000 1.022 226 R CB -0.729 29.598 30.300 0.046 0.000 0.883 226 R HN 0.520 nan 8.270 nan 0.000 0.470 227 S N -1.774 113.965 115.700 0.066 0.000 3.429 227 S HA 0.097 4.572 4.470 0.009 0.000 0.237 227 S C 1.730 176.367 174.600 0.061 0.000 1.037 227 S CA 0.894 59.130 58.200 0.061 0.000 0.806 227 S CB 0.665 63.894 63.200 0.048 0.000 0.882 227 S HN 0.572 nan 8.310 nan 0.000 0.556 228 T N 2.288 116.870 114.554 0.046 0.000 2.978 228 T HA 0.193 4.548 4.350 0.009 0.000 0.248 228 T C 0.982 175.699 174.700 0.028 0.000 1.018 228 T CA 0.721 62.844 62.100 0.039 0.000 1.026 228 T CB 0.309 69.192 68.868 0.025 0.000 1.032 228 T HN 0.621 nan 8.240 nan 0.000 0.485 229 T N 1.247 115.810 114.554 0.016 0.000 2.891 229 T HA 0.666 5.021 4.350 0.009 0.000 0.294 229 T C -0.209 174.453 174.700 -0.064 0.000 1.065 229 T CA -0.507 61.583 62.100 -0.016 0.000 0.936 229 T CB 1.209 70.068 68.868 -0.015 0.000 1.415 229 T HN 0.319 nan 8.240 nan 0.000 0.572 230 S N -0.400 115.237 115.700 -0.104 0.000 2.604 230 S HA 0.403 4.879 4.470 0.009 0.000 0.296 230 S C -1.895 172.645 174.600 -0.101 0.000 1.097 230 S CA -1.044 57.025 58.200 -0.218 0.000 0.883 230 S CB 1.507 64.372 63.200 -0.558 0.000 1.081 230 S HN 0.720 nan 8.310 nan 0.000 0.448 231 Q N 1.794 121.583 119.800 -0.018 0.000 2.325 231 Q HA 0.517 4.862 4.340 0.009 0.000 0.270 231 Q C -0.918 175.117 176.000 0.058 0.000 1.020 231 Q CA -0.193 55.634 55.803 0.039 0.000 0.785 231 Q CB 2.264 31.063 28.738 0.102 0.000 1.259 231 Q HN 0.871 nan 8.270 nan 0.000 0.452 232 T N 4.089 118.666 114.554 0.039 0.000 2.832 232 T HA 0.546 4.901 4.350 0.009 0.000 0.296 232 T C 0.435 175.217 174.700 0.137 0.000 0.968 232 T CA -0.012 62.132 62.100 0.073 0.000 1.107 232 T CB 0.332 69.222 68.868 0.038 0.000 0.916 232 T HN 0.371 nan 8.240 nan 0.000 0.517 233 I N 2.476 123.149 120.570 0.172 0.000 2.608 233 I HA 0.362 4.537 4.170 0.009 0.000 0.295 233 I C 0.067 176.242 176.117 0.096 0.000 1.049 233 I CA -1.126 60.260 61.300 0.143 0.000 1.063 233 I CB 2.357 40.431 38.000 0.123 0.000 1.248 233 I HN 0.342 nan 8.210 nan 0.000 0.424 234 K N 4.137 124.544 120.400 0.012 0.000 2.312 234 K HA 0.530 4.855 4.320 0.009 0.000 0.287 234 K C -1.019 175.498 176.600 -0.138 0.000 1.062 234 K CA -0.280 55.892 56.287 -0.192 0.000 0.934 234 K CB 1.441 33.861 32.500 -0.133 0.000 1.027 234 K HN 0.249 nan 8.250 nan 0.000 0.478 235 V N 1.570 121.367 119.914 -0.196 0.000 2.823 235 V HA 0.227 4.352 4.120 0.009 0.000 0.312 235 V C -0.390 175.638 176.094 -0.111 0.000 1.072 235 V CA -0.811 61.426 62.300 -0.105 0.000 0.937 235 V CB 2.183 33.965 31.823 -0.069 0.000 1.013 235 V HN 0.733 nan 8.190 nan 0.000 0.430 236 S N 3.526 119.195 115.700 -0.053 0.000 2.480 236 S HA 0.421 4.896 4.470 0.009 0.000 0.286 236 S C -1.713 172.886 174.600 -0.002 0.000 1.180 236 S CA -1.447 56.736 58.200 -0.027 0.000 1.075 236 S CB 1.586 64.785 63.200 -0.003 0.000 0.996 236 S HN 0.582 nan 8.310 nan 0.000 0.487 237 P HA -0.077 nan 4.420 nan 0.000 0.220 237 P C 0.201 177.524 177.300 0.039 0.000 1.144 237 P CA 1.066 64.172 63.100 0.010 0.000 0.800 237 P CB 0.127 31.838 31.700 0.018 0.000 0.772 238 D N -1.390 119.045 120.400 0.058 0.000 2.349 238 D HA -0.019 4.626 4.640 0.009 0.000 0.215 238 D C 0.217 176.552 176.300 0.058 0.000 1.016 238 D CA 0.527 54.566 54.000 0.064 0.000 0.870 238 D CB -0.373 40.469 40.800 0.070 0.000 0.917 238 D HN 0.356 nan 8.370 nan 0.000 0.524 239 D N -0.111 120.320 120.400 0.052 0.000 2.193 239 D HA 0.148 4.793 4.640 0.009 0.000 0.249 239 D C 0.426 176.771 176.300 0.075 0.000 1.034 239 D CA -0.579 53.453 54.000 0.054 0.000 0.902 239 D CB 0.797 41.621 40.800 0.040 0.000 1.182 239 D HN -0.127 nan 8.370 nan 0.000 0.436 240 T N -1.767 112.836 114.554 0.082 0.000 2.828 240 T HA 0.281 4.637 4.350 0.009 0.000 0.290 240 T C -1.756 172.997 174.700 0.088 0.000 1.019 240 T CA -1.289 60.877 62.100 0.111 0.000 1.031 240 T CB 1.047 69.976 68.868 0.102 0.000 1.001 240 T HN 0.130 nan 8.240 nan 0.000 0.531 241 P HA 0.056 nan 4.420 nan 0.000 0.218 241 P C 1.828 179.159 177.300 0.052 0.000 1.149 241 P CA 1.084 64.202 63.100 0.029 0.000 0.817 241 P CB -0.425 31.271 31.700 -0.006 0.000 0.785 242 G N 0.586 109.429 108.800 0.071 0.000 2.459 242 G HA2 -0.302 3.664 3.960 0.009 0.000 0.217 242 G HA3 -0.302 3.664 3.960 0.009 0.000 0.217 242 G C 1.683 176.629 174.900 0.076 0.000 1.183 242 G CA 1.194 46.337 45.100 0.071 0.000 0.776 242 G HN 0.308 nan 8.290 nan 0.000 0.552 243 A N 1.263 124.124 122.820 0.069 0.000 1.859 243 A HA -0.117 4.209 4.320 0.009 0.000 0.217 243 A C 2.369 180.003 177.584 0.082 0.000 1.198 243 A CA 1.930 54.008 52.037 0.068 0.000 0.629 243 A CB -0.490 18.545 19.000 0.057 0.000 0.830 243 A HN 0.288 nan 8.150 nan 0.000 0.446 244 I N -0.065 120.546 120.570 0.069 0.000 2.145 244 I HA -0.293 3.883 4.170 0.009 0.000 0.244 244 I C 2.545 178.732 176.117 0.117 0.000 1.075 244 I CA 1.485 62.825 61.300 0.067 0.000 1.332 244 I CB -1.631 36.381 38.000 0.020 0.000 1.033 244 I HN 0.322 nan 8.210 nan 0.000 0.410 245 L N -0.157 121.144 121.223 0.130 0.000 2.046 245 L HA -0.251 4.095 4.340 0.009 0.000 0.208 245 L C 2.687 179.799 176.870 0.404 0.000 1.077 245 L CA 1.468 56.454 54.840 0.242 0.000 0.747 245 L CB -0.542 41.669 42.059 0.254 0.000 0.896 245 L HN 0.356 nan 8.230 nan 0.000 0.432 246 Q N -0.879 119.076 119.800 0.258 0.000 2.224 246 Q HA -0.191 4.155 4.340 0.009 0.000 0.203 246 Q C 2.052 178.179 176.000 0.212 0.000 0.970 246 Q CA 1.374 57.311 55.803 0.224 0.000 0.865 246 Q CB 0.089 28.894 28.738 0.113 0.000 0.922 246 Q HN 0.285 nan 8.270 nan 0.000 0.445 247 S N -1.033 114.778 115.700 0.186 0.000 2.631 247 S HA 0.022 4.497 4.470 0.009 0.000 0.217 247 S C 0.753 175.456 174.600 0.171 0.000 0.958 247 S CA -0.172 58.112 58.200 0.140 0.000 0.920 247 S CB -0.063 63.197 63.200 0.100 0.000 0.776 247 S HN 0.550 nan 8.310 nan 0.000 0.517 248 F N -0.364 119.618 119.950 0.053 0.000 2.667 248 F HA 0.391 4.923 4.527 0.009 0.000 0.288 248 F C 0.953 176.692 175.800 -0.102 0.000 1.086 248 F CA -0.119 57.852 58.000 -0.048 0.000 1.297 248 F CB 0.041 38.972 39.000 -0.116 0.000 1.059 248 F HN 0.210 nan 8.300 nan 0.000 0.624 249 F N 1.166 121.165 119.950 0.083 0.000 2.365 249 F HA -0.106 4.427 4.527 0.009 0.000 0.300 249 F C 2.313 178.050 175.800 -0.106 0.000 1.090 249 F CA 1.720 59.704 58.000 -0.026 0.000 1.408 249 F CB -0.825 38.206 39.000 0.052 0.000 1.060 249 F HN -0.101 nan 8.300 nan 0.000 0.534 250 T N -0.671 113.928 114.554 0.076 0.000 2.746 250 T HA -0.195 4.160 4.350 0.009 0.000 0.267 250 T C 1.162 175.809 174.700 -0.088 0.000 1.039 250 T CA 1.154 63.258 62.100 0.007 0.000 1.142 250 T CB -0.088 68.789 68.868 0.015 0.000 0.866 250 T HN 0.107 nan 8.240 nan 0.000 0.444 270 F N 0.315 120.305 119.950 0.066 0.000 2.639 270 F HA 0.749 5.281 4.527 0.008 0.000 0.339 270 F C -0.408 175.413 175.800 0.035 0.000 1.071 270 F CA -1.179 56.866 58.000 0.075 0.000 0.994 270 F CB 2.319 41.414 39.000 0.157 0.000 1.341 270 F HN -0.083 nan 8.300 nan 0.000 0.498 271 V N 2.260 122.297 119.914 0.205 0.000 2.891 271 V HA 0.442 4.568 4.120 0.009 0.000 0.304 271 V C -1.452 174.697 176.094 0.092 0.000 1.171 271 V CA -0.816 61.537 62.300 0.089 0.000 0.943 271 V CB 2.125 33.933 31.823 -0.026 0.000 1.037 271 V HN 0.601 nan 8.190 nan 0.000 0.427 272 L N 6.311 127.560 121.223 0.042 0.000 2.361 272 L HA 0.565 4.910 4.340 0.009 0.000 0.278 272 L C 0.362 177.260 176.870 0.046 0.000 1.113 272 L CA 0.132 54.973 54.840 0.001 0.000 0.849 272 L CB 0.552 42.565 42.059 -0.076 0.000 1.155 272 L HN 0.620 nan 8.230 nan 0.000 0.452 273 R N 3.084 123.599 120.500 0.025 0.000 2.437 273 R HA 0.472 4.817 4.340 0.009 0.000 0.310 273 R C -0.894 175.287 176.300 -0.198 0.000 0.955 273 R CA -0.766 55.280 56.100 -0.089 0.000 0.851 273 R CB 1.617 31.873 30.300 -0.072 0.000 1.161 273 R HN 0.369 nan 8.270 nan 0.000 0.446 274 V N 4.405 124.123 119.914 -0.327 0.000 2.644 274 V HA -0.123 4.002 4.120 0.009 0.000 0.305 274 V C 0.349 176.266 176.094 -0.295 0.000 1.053 274 V CA 0.032 62.116 62.300 -0.360 0.000 1.186 274 V CB 0.108 31.450 31.823 -0.803 0.000 0.895 274 V HN 0.838 nan 8.190 nan 0.000 0.490 275 C N 5.277 124.469 119.300 -0.179 0.000 2.657 275 C HA 0.468 4.933 4.460 0.009 0.000 0.404 275 C C 1.452 176.339 174.990 -0.172 0.000 1.369 275 C CA 0.465 59.376 59.018 -0.179 0.000 1.665 275 C CB -1.109 26.503 27.740 -0.214 0.000 2.453 275 C HN 1.410 nan 8.230 nan 0.000 0.599 276 G N 3.861 112.556 108.800 -0.176 0.000 2.160 276 G HA2 -0.197 3.768 3.960 0.009 0.000 0.244 276 G HA3 -0.197 3.768 3.960 0.009 0.000 0.244 276 G C -0.188 174.593 174.900 -0.198 0.000 1.022 276 G CA -0.075 44.934 45.100 -0.153 0.000 0.741 276 G HN 0.805 nan 8.290 nan 0.000 0.508 277 R N -1.004 119.330 120.500 -0.277 0.000 2.680 277 R HA 0.328 4.673 4.340 0.009 0.000 0.269 277 R C -1.575 174.492 176.300 -0.389 0.000 1.026 277 R CA -0.956 54.939 56.100 -0.342 0.000 0.889 277 R CB 1.104 31.110 30.300 -0.490 0.000 1.241 277 R HN 0.072 nan 8.270 nan 0.000 0.463 278 D N 1.870 122.066 120.400 -0.341 0.000 2.713 278 D HA 0.087 4.732 4.640 0.009 0.000 0.229 278 D C -1.009 175.049 176.300 -0.404 0.000 1.136 278 D CA 0.222 54.004 54.000 -0.363 0.000 1.010 278 D CB 0.260 40.953 40.800 -0.178 0.000 1.084 278 D HN 0.281 nan 8.370 nan 0.000 0.495 279 E N 1.550 121.353 120.200 -0.662 0.000 2.274 279 E HA 0.281 4.636 4.350 0.009 0.000 0.269 279 E C -1.693 174.516 176.600 -0.652 0.000 0.891 279 E CA -0.631 55.447 56.400 -0.536 0.000 0.784 279 E CB 0.665 30.082 29.700 -0.471 0.000 1.225 279 E HN 0.172 nan 8.360 nan 0.000 0.412 280 Y N 3.385 123.556 120.300 -0.215 0.000 2.352 280 Y HA 0.421 4.976 4.550 0.009 0.000 0.339 280 Y C -0.060 175.769 175.900 -0.117 0.000 0.992 280 Y CA -1.031 56.963 58.100 -0.177 0.000 1.100 280 Y CB 1.435 39.783 38.460 -0.187 0.000 1.192 280 Y HN 0.338 nan 8.280 nan 0.000 0.458 281 L N 5.404 126.569 121.223 -0.096 0.000 2.315 281 L HA 0.509 4.854 4.340 0.009 0.000 0.278 281 L C -0.573 176.128 176.870 -0.281 0.000 1.088 281 L CA -0.448 54.080 54.840 -0.519 0.000 0.899 281 L CB 0.163 41.810 42.059 -0.686 0.000 1.277 281 L HN 0.417 nan 8.230 nan 0.000 0.431 282 V N 2.408 122.372 119.914 0.083 0.000 3.147 282 V HA 0.985 5.110 4.120 0.009 0.000 0.306 282 V C -0.098 176.204 176.094 0.347 0.000 1.209 282 V CA 0.437 62.840 62.300 0.171 0.000 1.023 282 V CB 2.134 34.004 31.823 0.079 0.000 1.059 282 V HN 0.843 nan 8.190 nan 0.000 0.435 283 G N 3.680 112.614 108.800 0.222 0.000 2.479 283 G HA2 0.006 3.971 3.960 0.009 0.000 0.686 283 G HA3 0.006 3.971 3.960 0.009 0.000 0.686 283 G C -0.848 174.154 174.900 0.170 0.000 1.295 283 G CA -0.266 44.941 45.100 0.178 0.000 0.922 283 G HN 0.871 nan 8.290 nan 0.000 0.582 284 E N 1.052 121.316 120.200 0.106 0.000 2.148 284 E HA 0.395 4.750 4.350 0.009 0.000 0.308 284 E C 0.076 176.719 176.600 0.072 0.000 1.278 284 E CA 0.328 56.779 56.400 0.086 0.000 1.368 284 E CB 0.133 29.867 29.700 0.057 0.000 1.229 284 E HN 0.506 nan 8.360 nan 0.000 0.494 285 T N 1.807 116.431 114.554 0.117 0.000 2.921 285 T HA 0.339 4.694 4.350 0.009 0.000 0.297 285 T C -2.692 172.115 174.700 0.180 0.000 1.013 285 T CA -1.698 60.431 62.100 0.048 0.000 0.990 285 T CB 2.161 70.897 68.868 -0.220 0.000 1.023 285 T HN -0.042 nan 8.240 nan 0.000 0.447 286 P HA 0.130 nan 4.420 nan 0.000 0.264 286 P C 0.983 178.431 177.300 0.246 0.000 1.193 286 P CA -0.293 62.888 63.100 0.134 0.000 0.763 286 P CB 0.370 32.110 31.700 0.066 0.000 0.810 287 I N 4.558 125.273 120.570 0.243 0.000 2.381 287 I HA -0.322 3.854 4.170 0.009 0.000 0.255 287 I C 1.891 178.142 176.117 0.223 0.000 1.140 287 I CA 1.853 63.305 61.300 0.253 0.000 1.404 287 I CB -0.332 37.706 38.000 0.064 0.000 1.075 287 I HN 0.352 nan 8.210 nan 0.000 0.433 288 K N -0.830 119.628 120.400 0.097 0.000 2.217 288 K HA -0.048 4.277 4.320 0.009 0.000 0.202 288 K C 1.220 177.804 176.600 -0.026 0.000 1.051 288 K CA 1.416 57.689 56.287 -0.022 0.000 0.952 288 K CB -0.384 32.054 32.500 -0.102 0.000 0.736 288 K HN 0.221 nan 8.250 nan 0.000 0.453 289 N N 0.174 118.880 118.700 0.010 0.000 2.314 289 N HA 0.140 4.885 4.740 0.009 0.000 0.200 289 N C -1.157 174.237 175.510 -0.194 0.000 1.135 289 N CA 0.017 53.005 53.050 -0.102 0.000 0.835 289 N CB 0.078 38.484 38.487 -0.134 0.000 0.989 289 N HN 0.082 nan 8.380 nan 0.000 0.478 290 F N 0.925 120.848 119.950 -0.045 0.000 2.411 290 F HA 0.237 4.770 4.527 0.009 0.000 0.350 290 F C 1.757 177.488 175.800 -0.113 0.000 1.114 290 F CA -0.632 57.351 58.000 -0.029 0.000 1.135 290 F CB 1.398 40.423 39.000 0.042 0.000 1.120 290 F HN -0.141 nan 8.300 nan 0.000 0.495 291 Q N 3.387 123.111 119.800 -0.128 0.000 2.096 291 Q HA -0.266 4.079 4.340 0.009 0.000 0.204 291 Q C 2.225 178.123 176.000 -0.170 0.000 0.982 291 Q CA 1.509 57.066 55.803 -0.409 0.000 0.850 291 Q CB -0.437 27.518 28.738 -1.306 0.000 0.901 291 Q HN 0.882 nan 8.270 nan 0.000 0.422 292 W N 0.920 122.130 121.300 -0.150 0.000 2.335 292 W HA -0.204 4.462 4.660 0.009 0.000 0.311 292 W C 1.759 178.296 176.519 0.030 0.000 1.213 292 W CA 1.428 58.759 57.345 -0.025 0.000 1.274 292 W CB 0.052 29.528 29.460 0.026 0.000 1.148 292 W HN -0.047 nan 8.180 nan 0.000 0.498 293 V N 1.550 121.502 119.914 0.063 0.000 2.407 293 V HA -0.295 3.830 4.120 0.009 0.000 0.248 293 V C 2.476 178.477 176.094 -0.155 0.000 1.055 293 V CA 2.030 64.293 62.300 -0.062 0.000 1.049 293 V CB -0.829 31.014 31.823 0.034 0.000 0.662 293 V HN 0.177 nan 8.190 nan 0.000 0.455 294 R N -0.708 119.709 120.500 -0.138 0.000 2.148 294 R HA -0.133 4.212 4.340 0.009 0.000 0.223 294 R C 2.275 178.466 176.300 -0.181 0.000 1.088 294 R CA 1.478 57.476 56.100 -0.170 0.000 0.985 294 R CB -0.471 29.729 30.300 -0.166 0.000 0.880 294 R HN 0.698 nan 8.270 nan 0.000 0.451 295 H N 0.390 119.265 119.070 -0.325 0.000 2.326 295 H HA -0.083 4.478 4.556 0.009 0.000 0.301 295 H C 1.995 177.084 175.328 -0.398 0.000 1.081 295 H CA 1.959 57.786 56.048 -0.368 0.000 1.334 295 H CB -0.276 29.192 29.762 -0.490 0.000 1.385 295 H HN 0.093 nan 8.280 nan 0.000 0.504 296 C N 0.586 119.499 119.300 -0.645 0.000 2.413 296 C HA -0.128 4.337 4.460 0.009 0.000 0.277 296 C C 2.973 177.753 174.990 -0.351 0.000 1.228 296 C CA 1.064 59.753 59.018 -0.549 0.000 1.731 296 C CB -1.268 26.226 27.740 -0.410 0.000 2.042 296 C HN 0.579 nan 8.230 nan 0.000 0.468 297 L N 0.932 121.999 121.223 -0.261 0.000 1.997 297 L HA -0.274 4.072 4.340 0.009 0.000 0.216 297 L C 2.707 179.477 176.870 -0.167 0.000 1.074 297 L CA 2.130 56.863 54.840 -0.179 0.000 0.763 297 L CB -0.824 41.133 42.059 -0.170 0.000 0.890 297 L HN 0.438 nan 8.230 nan 0.000 0.434 298 K N 0.207 120.495 120.400 -0.187 0.000 2.044 298 K HA -0.215 4.110 4.320 0.009 0.000 0.210 298 K C 1.603 178.105 176.600 -0.162 0.000 1.049 298 K CA 2.067 58.274 56.287 -0.133 0.000 0.927 298 K CB -0.019 32.412 32.500 -0.116 0.000 0.713 298 K HN 0.282 nan 8.250 nan 0.000 0.443 299 N N -0.491 118.051 118.700 -0.264 0.000 2.398 299 N HA 0.054 4.799 4.740 0.009 0.000 0.188 299 N C 0.342 175.757 175.510 -0.158 0.000 1.122 299 N CA 0.988 53.902 53.050 -0.226 0.000 0.866 299 N CB 0.749 39.035 38.487 -0.335 0.000 0.970 299 N HN 0.451 nan 8.380 nan 0.000 0.462 300 G N 1.049 109.761 108.800 -0.148 0.000 2.246 300 G HA2 -0.310 3.655 3.960 0.009 0.000 0.273 300 G HA3 -0.310 3.655 3.960 0.009 0.000 0.273 300 G C -0.100 174.749 174.900 -0.086 0.000 1.055 300 G CA 0.358 45.402 45.100 -0.093 0.000 0.851 300 G HN 0.469 nan 8.290 nan 0.000 0.500 301 E N -0.411 119.709 120.200 -0.134 0.000 2.280 301 E HA 0.525 4.880 4.350 0.009 0.000 0.261 301 E C 0.243 176.817 176.600 -0.044 0.000 1.088 301 E CA -0.730 55.615 56.400 -0.092 0.000 0.915 301 E CB 0.713 30.313 29.700 -0.167 0.000 1.141 301 E HN 0.449 nan 8.360 nan 0.000 0.433 302 E N 1.509 121.736 120.200 0.046 0.000 2.197 302 E HA 0.249 4.604 4.350 0.009 0.000 0.281 302 E C -0.648 175.996 176.600 0.074 0.000 0.995 302 E CA -0.352 56.081 56.400 0.055 0.000 0.808 302 E CB 1.330 31.114 29.700 0.140 0.000 1.093 302 E HN 0.392 nan 8.360 nan 0.000 0.394 303 I N 4.486 125.034 120.570 -0.038 0.000 2.329 303 I HA 0.066 4.242 4.170 0.009 0.000 0.295 303 I C 0.019 176.111 176.117 -0.041 0.000 1.109 303 I CA -0.031 61.285 61.300 0.027 0.000 1.297 303 I CB -0.121 37.887 38.000 0.014 0.000 1.433 303 I HN 0.335 nan 8.210 nan 0.000 0.509 304 H N 6.201 125.379 119.070 0.180 0.000 2.504 304 H HA 0.514 5.076 4.556 0.010 0.000 0.322 304 H C -0.467 174.889 175.328 0.047 0.000 1.055 304 H CA -0.519 55.606 56.048 0.128 0.000 1.231 304 H CB 2.153 31.948 29.762 0.056 0.000 1.417 304 H HN 0.420 nan 8.280 nan 0.000 0.472 305 V N 1.323 121.307 119.914 0.117 0.000 2.823 305 V HA 0.608 4.733 4.120 0.009 0.000 0.312 305 V C -0.044 176.055 176.094 0.007 0.000 1.072 305 V CA -0.981 61.326 62.300 0.011 0.000 0.937 305 V CB 1.669 33.479 31.823 -0.021 0.000 1.013 305 V HN 0.459 nan 8.190 nan 0.000 0.430 306 V N 3.771 123.659 119.914 -0.042 0.000 2.732 306 V HA 0.733 4.859 4.120 0.009 0.000 0.310 306 V C -0.339 175.747 176.094 -0.014 0.000 1.053 306 V CA -0.789 61.506 62.300 -0.008 0.000 0.957 306 V CB 1.636 33.448 31.823 -0.017 0.000 1.018 306 V HN 1.130 nan 8.190 nan 0.000 0.452 307 L N 4.703 125.914 121.223 -0.020 0.000 2.328 307 L HA 0.556 4.901 4.340 0.009 0.000 0.280 307 L C -0.235 176.732 176.870 0.162 0.000 1.111 307 L CA 0.632 55.471 54.840 -0.002 0.000 0.909 307 L CB -0.346 41.614 42.059 -0.166 0.000 1.277 307 L HN 0.947 nan 8.230 nan 0.000 0.433 308 D N 1.300 121.809 120.400 0.182 0.000 2.506 308 D HA 0.488 5.133 4.640 0.009 0.000 0.254 308 D C -0.531 175.860 176.300 0.151 0.000 1.089 308 D CA -0.190 53.919 54.000 0.182 0.000 1.050 308 D CB 1.780 42.654 40.800 0.125 0.000 1.221 308 D HN 0.465 nan 8.370 nan 0.000 0.589 309 T N -1.161 113.403 114.554 0.016 0.000 2.882 309 T HA 0.625 4.980 4.350 0.009 0.000 0.287 309 T C -2.462 172.164 174.700 -0.123 0.000 0.992 309 T CA -1.644 60.366 62.100 -0.149 0.000 1.076 309 T CB 1.133 69.875 68.868 -0.211 0.000 0.961 309 T HN 0.070 nan 8.240 nan 0.000 0.490 310 P HA 0.214 nan 4.420 nan 0.000 0.262 310 P C -2.353 174.836 177.300 -0.185 0.000 1.182 310 P CA -0.787 62.184 63.100 -0.216 0.000 0.761 310 P CB -0.644 30.946 31.700 -0.183 0.000 0.795 311 P HA 0.030 nan 4.420 nan 0.000 0.268 311 P C -0.381 176.858 177.300 -0.103 0.000 1.204 311 P CA 0.161 63.182 63.100 -0.131 0.000 0.768 311 P CB 0.245 31.866 31.700 -0.133 0.000 0.842 312 D N 4.339 124.696 120.400 -0.072 0.000 2.363 312 D HA 0.041 4.687 4.640 0.009 0.000 0.263 312 D C -1.441 174.835 176.300 -0.041 0.000 1.258 312 D CA -1.840 52.125 54.000 -0.059 0.000 0.907 312 D CB 0.389 41.157 40.800 -0.053 0.000 1.107 312 D HN 0.150 nan 8.370 nan 0.000 0.495 313 P HA -0.098 nan 4.420 nan 0.000 0.223 313 P C 0.837 178.138 177.300 0.002 0.000 1.144 313 P CA 0.870 63.969 63.100 -0.001 0.000 0.783 313 P CB 0.185 31.886 31.700 0.002 0.000 0.771 314 A N -0.596 122.214 122.820 -0.018 0.000 2.070 314 A HA -0.115 4.210 4.320 0.009 0.000 0.220 314 A C 1.955 179.524 177.584 -0.024 0.000 1.159 314 A CA 1.013 53.037 52.037 -0.022 0.000 0.656 314 A CB -1.425 17.556 19.000 -0.032 0.000 0.800 314 A HN 0.183 nan 8.150 nan 0.000 0.453 315 L N -0.553 120.655 121.223 -0.024 0.000 2.551 315 L HA -0.047 4.299 4.340 0.009 0.000 0.228 315 L C 0.501 177.365 176.870 -0.010 0.000 1.153 315 L CA 0.512 55.334 54.840 -0.030 0.000 0.851 315 L CB -0.201 41.834 42.059 -0.040 0.000 0.959 315 L HN 0.238 nan 8.230 nan 0.000 0.451 316 D N 0.094 120.507 120.400 0.023 0.000 2.427 316 D HA 0.018 4.664 4.640 0.009 0.000 0.224 316 D C 0.527 176.852 176.300 0.041 0.000 1.157 316 D CA 0.085 54.132 54.000 0.078 0.000 0.828 316 D CB 0.237 41.154 40.800 0.196 0.000 0.974 316 D HN 0.330 nan 8.370 nan 0.000 0.498 317 E N 1.017 121.216 120.200 -0.001 0.000 2.384 317 E HA 0.112 4.467 4.350 0.009 0.000 0.266 317 E C -0.523 176.056 176.600 -0.036 0.000 1.012 317 E CA -0.145 56.240 56.400 -0.025 0.000 0.901 317 E CB 0.927 30.604 29.700 -0.040 0.000 0.967 317 E HN -0.209 nan 8.360 nan 0.000 0.435 318 V N 5.542 125.429 119.914 -0.046 0.000 2.439 318 V HA 0.236 4.361 4.120 0.009 0.000 0.282 318 V C 0.633 176.683 176.094 -0.073 0.000 1.039 318 V CA -0.557 61.710 62.300 -0.054 0.000 0.913 318 V CB 1.246 33.036 31.823 -0.054 0.000 0.983 318 V HN 0.726 nan 8.190 nan 0.000 0.460 319 R N 3.671 124.108 120.500 -0.105 0.000 2.679 319 R HA 0.124 4.470 4.340 0.009 0.000 0.268 319 R C 0.091 176.330 176.300 -0.102 0.000 1.044 319 R CA -0.259 55.745 56.100 -0.160 0.000 1.105 319 R CB 0.398 30.492 30.300 -0.343 0.000 0.989 319 R HN 0.657 nan 8.270 nan 0.000 0.447 320 K N 2.444 122.787 120.400 -0.096 0.000 2.436 320 K HA -0.069 4.256 4.320 0.009 0.000 0.275 320 K C 0.113 176.691 176.600 -0.036 0.000 0.999 320 K CA 0.038 56.291 56.287 -0.058 0.000 0.980 320 K CB 0.560 33.028 32.500 -0.053 0.000 0.919 320 K HN 0.504 nan 8.250 nan 0.000 0.484 353 S N 2.010 117.695 115.700 -0.025 0.000 2.592 353 S HA 0.449 4.925 4.470 0.009 0.000 0.271 353 S C 0.737 175.319 174.600 -0.030 0.000 1.326 353 S CA -0.115 58.047 58.200 -0.062 0.000 1.024 353 S CB 1.153 64.318 63.200 -0.059 0.000 0.921 353 S HN 0.772 nan 8.310 nan 0.000 0.527 354 L N 3.565 124.731 121.223 -0.096 0.000 2.217 354 L HA 0.220 4.565 4.340 0.009 0.000 0.211 354 L C 1.029 178.004 176.870 0.174 0.000 1.107 354 L CA 1.177 56.016 54.840 -0.001 0.000 0.783 354 L CB -0.200 41.826 42.059 -0.056 0.000 0.919 354 L HN 0.768 nan 8.230 nan 0.000 0.442 355 W N -0.158 121.149 121.300 0.012 0.000 3.434 355 W HA 0.131 4.796 4.660 0.009 0.000 0.297 355 W C 0.962 177.485 176.519 0.006 0.000 1.295 355 W CA -0.160 57.188 57.345 0.006 0.000 1.731 355 W CB -0.539 28.915 29.460 -0.010 0.000 1.070 355 W HN 0.271 nan 8.180 nan 0.000 0.726 356 D N -1.753 118.765 120.400 0.197 0.000 2.469 356 D HA 0.057 4.702 4.640 0.009 0.000 0.240 356 D C 0.186 176.539 176.300 0.089 0.000 1.087 356 D CA 0.385 54.457 54.000 0.119 0.000 0.876 356 D CB -0.083 40.767 40.800 0.083 0.000 1.160 356 D HN -0.234 nan 8.370 nan 0.000 0.497 357 C N 2.301 121.658 119.300 0.095 0.000 2.540 357 C HA 0.172 4.638 4.460 0.009 0.000 0.377 357 C C 1.406 176.444 174.990 0.080 0.000 1.274 357 C CA -0.640 58.424 59.018 0.077 0.000 1.718 357 C CB -0.165 27.622 27.740 0.079 0.000 2.391 357 C HN 0.161 nan 8.230 nan 0.000 0.565 358 D N 1.301 121.735 120.400 0.057 0.000 2.349 358 D HA 0.039 4.684 4.640 0.009 0.000 0.214 358 D C 0.986 177.313 176.300 0.046 0.000 1.063 358 D CA 0.086 54.116 54.000 0.050 0.000 0.847 358 D CB 0.235 41.055 40.800 0.034 0.000 0.933 358 D HN 0.585 nan 8.370 nan 0.000 0.513 359 R N 0.899 121.427 120.500 0.046 0.000 2.641 359 R HA 0.156 4.502 4.340 0.009 0.000 0.269 359 R C 0.544 176.887 176.300 0.071 0.000 1.074 359 R CA -0.320 55.802 56.100 0.036 0.000 1.133 359 R CB 0.780 31.087 30.300 0.011 0.000 1.029 359 R HN -0.147 nan 8.270 nan 0.000 0.488 360 K N 2.503 122.943 120.400 0.067 0.000 2.401 360 K HA -0.010 4.316 4.320 0.009 0.000 0.278 360 K C 0.076 176.779 176.600 0.171 0.000 1.018 360 K CA 0.078 56.440 56.287 0.125 0.000 0.981 360 K CB 0.215 32.776 32.500 0.102 0.000 0.933 360 K HN 0.398 nan 8.250 nan 0.000 0.477 361 F N 3.785 123.809 119.950 0.122 0.000 2.553 361 F HA 0.020 4.552 4.527 0.009 0.000 0.356 361 F C 0.709 176.684 175.800 0.293 0.000 1.142 361 F CA 0.269 58.364 58.000 0.158 0.000 1.322 361 F CB 0.587 39.644 39.000 0.095 0.000 1.126 361 F HN 0.570 nan 8.300 nan 0.000 0.599 362 R N 4.481 124.563 120.500 -0.697 0.000 2.710 362 R HA 0.793 5.138 4.340 0.009 0.000 0.270 362 R C -2.450 173.611 176.300 -0.399 0.000 1.021 362 R CA -1.151 54.770 56.100 -0.298 0.000 0.889 362 R CB 1.710 31.981 30.300 -0.049 0.000 1.243 362 R HN 0.648 nan 8.270 nan 0.000 0.464 363 V N 1.257 121.208 119.914 0.062 0.000 2.808 363 V HA 0.472 4.597 4.120 0.009 0.000 0.308 363 V C -1.283 174.804 176.094 -0.011 0.000 1.099 363 V CA -0.854 61.502 62.300 0.094 0.000 0.920 363 V CB 2.185 34.118 31.823 0.183 0.000 1.014 363 V HN 0.858 nan 8.190 nan 0.000 0.425 364 K N 6.684 126.843 120.400 -0.403 0.000 2.234 364 K HA 0.503 4.828 4.320 0.009 0.000 0.277 364 K C -0.772 175.598 176.600 -0.383 0.000 1.038 364 K CA -0.718 55.094 56.287 -0.792 0.000 0.888 364 K CB 0.908 32.411 32.500 -1.661 0.000 1.091 364 K HN 0.642 nan 8.250 nan 0.000 0.467 365 I N 6.426 126.831 120.570 -0.275 0.000 2.291 365 I HA 0.125 4.300 4.170 0.009 0.000 0.292 365 I C 1.390 177.459 176.117 -0.080 0.000 1.064 365 I CA 0.002 61.210 61.300 -0.154 0.000 1.269 365 I CB 0.601 38.489 38.000 -0.186 0.000 1.418 365 I HN 0.736 nan 8.210 nan 0.000 0.485 366 R N 4.055 124.516 120.500 -0.065 0.000 2.078 366 R HA 0.174 4.519 4.340 0.009 0.000 0.224 366 R C 1.001 177.361 176.300 0.100 0.000 1.149 366 R CA 1.023 57.112 56.100 -0.019 0.000 0.916 366 R CB -0.031 30.242 30.300 -0.045 0.000 0.821 366 R HN 0.759 nan 8.270 nan 0.000 0.434 367 G N -0.116 108.749 108.800 0.109 0.000 2.606 367 G HA2 0.502 4.468 3.960 0.009 0.000 0.300 367 G HA3 0.502 4.468 3.960 0.009 0.000 0.300 367 G C -1.523 173.466 174.900 0.149 0.000 1.360 367 G CA -0.786 44.424 45.100 0.183 0.000 0.783 367 G HN 0.302 nan 8.290 nan 0.000 0.484 368 I N -1.823 118.840 120.570 0.155 0.000 2.545 368 I HA 0.808 4.983 4.170 0.009 0.000 0.292 368 I C -1.948 174.191 176.117 0.037 0.000 1.040 368 I CA -0.926 60.425 61.300 0.085 0.000 1.068 368 I CB 2.601 40.685 38.000 0.140 0.000 1.251 368 I HN 0.233 nan 8.210 nan 0.000 0.424 369 D N 5.911 126.301 120.400 -0.017 0.000 2.619 369 D HA 0.695 5.340 4.640 0.009 0.000 0.241 369 D C -1.119 175.157 176.300 -0.041 0.000 1.087 369 D CA -0.213 53.775 54.000 -0.020 0.000 0.851 369 D CB 3.133 43.915 40.800 -0.028 0.000 1.474 369 D HN 0.703 nan 8.370 nan 0.000 0.478 370 I N 2.367 122.922 120.570 -0.026 0.000 2.571 370 I HA 0.284 4.460 4.170 0.009 0.000 0.289 370 I C -2.069 174.030 176.117 -0.031 0.000 1.115 370 I CA -2.483 58.793 61.300 -0.039 0.000 1.045 370 I CB 2.523 40.499 38.000 -0.040 0.000 1.238 370 I HN 0.202 nan 8.210 nan 0.000 0.424 371 P HA -0.089 nan 4.420 nan 0.000 0.215 371 P C 0.059 177.339 177.300 -0.032 0.000 1.157 371 P CA 1.071 64.156 63.100 -0.026 0.000 0.874 371 P CB 0.185 31.872 31.700 -0.022 0.000 0.790 380 T N -0.343 114.335 114.554 0.207 0.000 2.940 380 T HA 0.896 5.252 4.350 0.009 0.000 0.288 380 T C -0.422 174.401 174.700 0.206 0.000 1.033 380 T CA -0.602 61.625 62.100 0.212 0.000 1.033 380 T CB 2.105 71.078 68.868 0.176 0.000 1.079 380 T HN 0.673 nan 8.240 nan 0.000 0.496 381 V N -0.371 119.667 119.914 0.207 0.000 3.130 381 V HA 1.001 5.126 4.120 0.009 0.000 0.310 381 V C -1.175 175.182 176.094 0.439 0.000 1.158 381 V CA -1.537 60.851 62.300 0.146 0.000 1.029 381 V CB 1.442 33.110 31.823 -0.259 0.000 1.057 381 V HN 1.226 nan 8.190 nan 0.000 0.436 382 F N -0.409 119.641 119.950 0.166 0.000 2.662 382 F HA 0.933 5.465 4.527 0.009 0.000 0.312 382 F C -1.201 174.569 175.800 -0.050 0.000 1.113 382 F CA -1.375 56.690 58.000 0.108 0.000 0.951 382 F CB 1.321 40.360 39.000 0.064 0.000 1.344 382 F HN 0.442 nan 8.300 nan 0.000 0.462 383 V N 1.293 121.056 119.914 -0.252 0.000 2.472 383 V HA 0.435 4.561 4.120 0.009 0.000 0.290 383 V C -0.574 175.513 176.094 -0.012 0.000 1.037 383 V CA -0.549 61.599 62.300 -0.254 0.000 0.908 383 V CB 1.457 33.030 31.823 -0.417 0.000 0.985 383 V HN 0.872 nan 8.190 nan 0.000 0.454 384 E N 2.958 123.198 120.200 0.067 0.000 2.187 384 E HA 0.708 5.063 4.350 0.009 0.000 0.268 384 E C -0.804 175.884 176.600 0.147 0.000 0.896 384 E CA -0.766 55.752 56.400 0.197 0.000 0.766 384 E CB 1.711 31.639 29.700 0.381 0.000 1.142 384 E HN 0.814 nan 8.360 nan 0.000 0.408 385 A N 5.243 128.172 122.820 0.182 0.000 2.267 385 A HA 0.407 4.733 4.320 0.009 0.000 0.315 385 A C -0.870 176.928 177.584 0.356 0.000 1.297 385 A CA -0.825 51.380 52.037 0.279 0.000 0.865 385 A CB 0.498 19.751 19.000 0.421 0.000 1.165 385 A HN 0.678 nan 8.150 nan 0.000 0.513 386 N N 2.528 121.342 118.700 0.190 0.000 2.400 386 N HA 0.366 5.111 4.740 0.009 0.000 0.288 386 N C -0.894 174.588 175.510 -0.048 0.000 1.024 386 N CA -0.260 52.853 53.050 0.105 0.000 0.894 386 N CB 1.939 40.468 38.487 0.069 0.000 1.173 386 N HN 0.560 nan 8.380 nan 0.000 0.487 387 I N 2.522 122.993 120.570 -0.166 0.000 2.281 387 I HA 0.111 4.287 4.170 0.009 0.000 0.293 387 I C 0.441 176.476 176.117 -0.138 0.000 1.085 387 I CA -0.137 60.999 61.300 -0.273 0.000 1.257 387 I CB 0.305 38.020 38.000 -0.474 0.000 1.430 387 I HN 0.248 nan 8.210 nan 0.000 0.489 388 Q N 4.824 124.562 119.800 -0.103 0.000 2.215 388 Q HA 0.437 4.782 4.340 0.009 0.000 0.256 388 Q C -0.517 175.471 176.000 -0.020 0.000 0.972 388 Q CA -0.686 55.085 55.803 -0.055 0.000 0.889 388 Q CB 2.584 31.285 28.738 -0.061 0.000 1.281 388 Q HN 0.488 nan 8.270 nan 0.000 0.456 389 H N -0.189 118.806 119.070 -0.125 0.000 3.275 389 H HA 0.216 4.777 4.556 0.009 0.000 0.326 389 H C -0.362 174.847 175.328 -0.198 0.000 1.096 389 H CA 0.507 56.454 56.048 -0.168 0.000 1.579 389 H CB 0.866 30.538 29.762 -0.149 0.000 1.834 389 H HN 0.946 nan 8.280 nan 0.000 0.510 390 G N 5.270 113.826 108.800 -0.408 0.000 2.351 390 G HA2 -0.279 3.687 3.960 0.009 0.000 0.297 390 G HA3 -0.279 3.687 3.960 0.009 0.000 0.297 390 G C 0.529 175.308 174.900 -0.202 0.000 1.054 390 G CA 0.837 45.728 45.100 -0.348 0.000 1.123 390 G HN 0.766 nan 8.290 nan 0.000 0.512 391 Q N -2.654 117.067 119.800 -0.132 0.000 2.258 391 Q HA -0.216 4.129 4.340 0.009 0.000 0.167 391 Q C 0.804 176.780 176.000 -0.040 0.000 0.586 391 Q CA 2.292 58.054 55.803 -0.068 0.000 1.398 391 Q CB -1.176 27.534 28.738 -0.047 0.000 1.415 391 Q HN 0.924 nan 8.270 nan 0.000 0.903 392 Q N 0.813 120.592 119.800 -0.034 0.000 2.294 392 Q HA 0.390 4.735 4.340 0.009 0.000 0.257 392 Q C -0.283 175.721 176.000 0.006 0.000 0.955 392 Q CA -0.266 55.539 55.803 0.004 0.000 0.936 392 Q CB 1.345 30.113 28.738 0.049 0.000 1.188 392 Q HN -0.032 nan 8.270 nan 0.000 0.420 393 V N 6.041 125.956 119.914 0.003 0.000 2.387 393 V HA -0.024 4.102 4.120 0.009 0.000 0.260 393 V C 1.348 177.446 176.094 0.006 0.000 1.054 393 V CA 0.320 62.622 62.300 0.003 0.000 0.967 393 V CB 0.060 31.890 31.823 0.012 0.000 1.036 393 V HN 0.833 nan 8.190 nan 0.000 0.481 394 L N 3.486 124.704 121.223 -0.007 0.000 2.027 394 L HA 0.025 4.370 4.340 0.009 0.000 0.206 394 L C 1.043 177.916 176.870 0.004 0.000 1.074 394 L CA 1.266 56.097 54.840 -0.015 0.000 0.745 394 L CB -0.050 41.980 42.059 -0.049 0.000 0.898 394 L HN 0.677 nan 8.230 nan 0.000 0.433 395 C N -1.144 118.166 119.300 0.017 0.000 3.170 395 C HA 0.506 4.972 4.460 0.009 0.000 0.319 395 C C -1.328 173.793 174.990 0.218 0.000 1.260 395 C CA -0.573 58.518 59.018 0.122 0.000 1.374 395 C CB 1.855 29.705 27.740 0.183 0.000 1.739 395 C HN 0.460 nan 8.230 nan 0.000 0.479 396 Q N 4.025 123.998 119.800 0.289 0.000 2.315 396 Q HA 0.709 5.054 4.340 0.009 0.000 0.273 396 Q C -1.593 174.526 176.000 0.198 0.000 1.053 396 Q CA -0.585 55.396 55.803 0.297 0.000 0.817 396 Q CB 1.660 30.491 28.738 0.154 0.000 1.326 396 Q HN 0.794 nan 8.270 nan 0.000 0.423 397 R N 2.581 123.160 120.500 0.133 0.000 2.621 397 R HA 0.568 4.914 4.340 0.009 0.000 0.284 397 R C -0.939 175.335 176.300 -0.042 0.000 0.998 397 R CA -0.652 55.381 56.100 -0.111 0.000 0.895 397 R CB 2.219 32.211 30.300 -0.513 0.000 1.195 397 R HN 0.745 nan 8.270 nan 0.000 0.450 398 R N -0.069 120.398 120.500 -0.056 0.000 2.856 398 R HA 0.511 4.856 4.340 0.009 0.000 0.258 398 R C 0.333 176.572 176.300 -0.100 0.000 1.066 398 R CA -0.716 55.377 56.100 -0.011 0.000 1.045 398 R CB 1.541 31.832 30.300 -0.014 0.000 1.178 398 R HN 0.710 nan 8.270 nan 0.000 0.499 399 T N -1.947 112.537 114.554 -0.118 0.000 2.884 399 T HA 0.301 4.656 4.350 0.009 0.000 0.277 399 T C 0.382 175.040 174.700 -0.071 0.000 0.976 399 T CA -0.928 61.029 62.100 -0.238 0.000 0.956 399 T CB 1.176 69.574 68.868 -0.783 0.000 1.113 399 T HN 0.576 nan 8.240 nan 0.000 0.554 400 S N 0.614 116.362 115.700 0.080 0.000 2.565 400 S HA 0.458 4.933 4.470 0.009 0.000 0.274 400 S C -2.803 172.030 174.600 0.387 0.000 1.309 400 S CA -1.259 57.050 58.200 0.181 0.000 1.043 400 S CB -0.033 63.290 63.200 0.204 0.000 0.939 400 S HN 0.589 nan 8.310 nan 0.000 0.504 401 P HA 0.298 nan 4.420 nan 0.000 0.271 401 P C -0.672 176.795 177.300 0.278 0.000 1.216 401 P CA -0.230 63.054 63.100 0.306 0.000 0.771 401 P CB 0.367 32.156 31.700 0.148 0.000 0.864 402 K N 3.733 124.304 120.400 0.285 0.000 2.422 402 K HA 0.413 4.738 4.320 0.009 0.000 0.251 402 K C -2.749 173.900 176.600 0.081 0.000 0.933 402 K CA -2.410 53.917 56.287 0.067 0.000 0.798 402 K CB 1.700 34.054 32.500 -0.242 0.000 1.238 402 K HN 0.170 nan 8.250 nan 0.000 0.428 403 P HA -0.117 nan 4.420 nan 0.000 0.256 403 P C -0.613 176.780 177.300 0.154 0.000 1.173 403 P CA 0.168 63.322 63.100 0.091 0.000 0.768 403 P CB -0.010 31.710 31.700 0.034 0.000 0.758 404 F N 5.857 125.822 119.950 0.025 0.000 2.519 404 F HA 0.216 4.748 4.527 0.009 0.000 0.375 404 F C 0.579 176.381 175.800 0.003 0.000 1.084 404 F CA -0.077 57.940 58.000 0.029 0.000 1.147 404 F CB -0.658 38.385 39.000 0.072 0.000 1.088 404 F HN 0.247 nan 8.300 nan 0.000 0.555 405 T N 1.508 116.129 114.554 0.112 0.000 2.831 405 T HA 0.370 4.725 4.350 0.009 0.000 0.287 405 T C 0.662 175.290 174.700 -0.119 0.000 1.070 405 T CA -0.719 61.305 62.100 -0.127 0.000 1.010 405 T CB 1.354 70.184 68.868 -0.064 0.000 1.264 405 T HN 0.325 nan 8.240 nan 0.000 0.532 406 E N 0.199 120.317 120.200 -0.137 0.000 2.333 406 E HA 0.017 4.372 4.350 0.009 0.000 0.198 406 E C 0.455 177.040 176.600 -0.024 0.000 1.007 406 E CA 0.938 57.286 56.400 -0.088 0.000 0.845 406 E CB 0.088 29.738 29.700 -0.084 0.000 0.766 406 E HN 0.699 nan 8.360 nan 0.000 0.507 407 E N 0.095 120.282 120.200 -0.021 0.000 2.274 407 E HA 0.314 4.669 4.350 0.009 0.000 0.269 407 E C -1.687 174.886 176.600 -0.045 0.000 0.891 407 E CA -0.527 55.863 56.400 -0.017 0.000 0.784 407 E CB 1.447 31.127 29.700 -0.033 0.000 1.225 407 E HN -0.155 nan 8.360 nan 0.000 0.412 408 V N 5.785 125.665 119.914 -0.057 0.000 2.407 408 V HA 0.427 4.553 4.120 0.009 0.000 0.291 408 V C -0.073 175.846 176.094 -0.291 0.000 1.018 408 V CA -0.719 61.438 62.300 -0.239 0.000 0.842 408 V CB 1.110 32.739 31.823 -0.322 0.000 0.996 408 V HN 0.630 nan 8.190 nan 0.000 0.426 409 L N 3.251 124.279 121.223 -0.325 0.000 2.344 409 L HA 0.548 4.893 4.340 0.009 0.000 0.272 409 L C 0.320 177.011 176.870 -0.298 0.000 1.035 409 L CA -0.380 54.352 54.840 -0.180 0.000 0.807 409 L CB 2.180 44.181 42.059 -0.098 0.000 1.237 409 L HN 0.661 nan 8.230 nan 0.000 0.442 410 W N -0.057 121.224 121.300 -0.032 0.000 4.545 410 W HA 0.065 4.730 4.660 0.009 0.000 0.198 410 W C 0.673 177.158 176.519 -0.057 0.000 1.012 410 W CA 0.075 57.401 57.345 -0.033 0.000 1.903 410 W CB 0.253 29.694 29.460 -0.032 0.000 0.746 410 W HN 0.739 nan 8.180 nan 0.000 0.948 411 N N 1.091 119.884 118.700 0.155 0.000 2.725 411 N HA -0.187 4.558 4.740 0.009 0.000 0.251 411 N C -0.928 174.556 175.510 -0.044 0.000 1.031 411 N CA 0.958 54.006 53.050 -0.003 0.000 0.720 411 N CB -1.129 37.354 38.487 -0.006 0.000 0.930 411 N HN -0.057 nan 8.380 nan 0.000 0.543 412 V N -2.798 117.083 119.914 -0.055 0.000 2.628 412 V HA 0.758 4.883 4.120 0.009 0.000 0.306 412 V C 0.276 176.267 176.094 -0.172 0.000 1.045 412 V CA -1.118 61.152 62.300 -0.050 0.000 0.905 412 V CB 1.202 33.050 31.823 0.041 0.000 0.997 412 V HN 0.248 nan 8.190 nan 0.000 0.436 413 W N 3.781 125.065 121.300 -0.027 0.000 2.358 413 W HA 0.639 5.304 4.660 0.009 0.000 0.307 413 W C -0.126 176.328 176.519 -0.109 0.000 1.203 413 W CA -0.465 56.843 57.345 -0.062 0.000 1.279 413 W CB 1.118 30.544 29.460 -0.056 0.000 1.264 413 W HN 0.489 nan 8.180 nan 0.000 0.474 414 L N 3.964 125.228 121.223 0.067 0.000 2.261 414 L HA 0.260 4.606 4.340 0.009 0.000 0.289 414 L C 0.355 177.121 176.870 -0.174 0.000 1.059 414 L CA -0.374 54.382 54.840 -0.141 0.000 0.816 414 L CB 0.626 42.517 42.059 -0.280 0.000 1.191 414 L HN 0.402 nan 8.230 nan 0.000 0.431 415 E N 3.309 123.414 120.200 -0.158 0.000 2.146 415 E HA 0.359 4.715 4.350 0.009 0.000 0.282 415 E C -0.903 175.614 176.600 -0.137 0.000 0.989 415 E CA -0.642 55.711 56.400 -0.077 0.000 0.799 415 E CB 0.930 30.615 29.700 -0.024 0.000 1.088 415 E HN 0.251 nan 8.360 nan 0.000 0.397 416 F N 0.930 120.960 119.950 0.133 0.000 2.362 416 F HA 0.061 4.593 4.527 0.009 0.000 0.311 416 F C 1.981 177.844 175.800 0.105 0.000 1.161 416 F CA -0.177 57.912 58.000 0.149 0.000 1.085 416 F CB 1.026 40.178 39.000 0.253 0.000 1.311 416 F HN 0.500 nan 8.300 nan 0.000 0.524 417 S N 0.122 115.994 115.700 0.287 0.000 2.501 417 S HA 0.119 4.594 4.470 0.009 0.000 0.220 417 S C 0.545 175.233 174.600 0.146 0.000 0.997 417 S CA -0.076 58.219 58.200 0.158 0.000 0.919 417 S CB -0.357 62.907 63.200 0.107 0.000 0.778 417 S HN 0.488 nan 8.310 nan 0.000 0.523 418 I N 2.428 123.110 120.570 0.187 0.000 2.441 418 I HA 0.211 4.386 4.170 0.009 0.000 0.287 418 I C -0.256 175.944 176.117 0.137 0.000 1.049 418 I CA -0.644 60.721 61.300 0.109 0.000 1.381 418 I CB 0.834 38.851 38.000 0.029 0.000 1.409 418 I HN 0.123 nan 8.210 nan 0.000 0.523 419 K N 6.878 127.331 120.400 0.089 0.000 2.270 419 K HA 0.194 4.519 4.320 0.009 0.000 0.276 419 K C 1.038 177.708 176.600 0.116 0.000 1.023 419 K CA -0.317 56.030 56.287 0.100 0.000 0.955 419 K CB 1.344 33.882 32.500 0.063 0.000 0.975 419 K HN 0.606 nan 8.250 nan 0.000 0.471 420 I N 2.732 123.396 120.570 0.155 0.000 2.315 420 I HA -0.366 3.809 4.170 0.009 0.000 0.251 420 I C 2.136 178.340 176.117 0.146 0.000 1.125 420 I CA 1.639 63.044 61.300 0.174 0.000 1.392 420 I CB -0.275 37.837 38.000 0.185 0.000 1.065 420 I HN 0.637 nan 8.210 nan 0.000 0.424 421 K N -0.240 120.250 120.400 0.151 0.000 2.366 421 K HA -0.075 4.250 4.320 0.009 0.000 0.198 421 K C 1.026 177.740 176.600 0.190 0.000 1.044 421 K CA 1.090 57.513 56.287 0.226 0.000 0.973 421 K CB -0.046 32.589 32.500 0.225 0.000 0.767 421 K HN 0.187 nan 8.250 nan 0.000 0.475 422 D N 1.079 121.533 120.400 0.089 0.000 2.349 422 D HA 0.073 4.719 4.640 0.009 0.000 0.215 422 D C 0.162 176.476 176.300 0.023 0.000 1.016 422 D CA 0.160 54.179 54.000 0.031 0.000 0.870 422 D CB 0.160 40.953 40.800 -0.011 0.000 0.917 422 D HN 0.209 nan 8.370 nan 0.000 0.524 423 L N 2.739 123.983 121.223 0.034 0.000 2.513 423 L HA 0.118 4.463 4.340 0.009 0.000 0.272 423 L C -2.080 174.819 176.870 0.049 0.000 1.187 423 L CA -1.261 53.568 54.840 -0.019 0.000 0.895 423 L CB 0.138 42.158 42.059 -0.065 0.000 1.147 423 L HN -0.258 nan 8.230 nan 0.000 0.483 424 P HA 0.132 nan 4.420 nan 0.000 0.284 424 P C -0.868 176.501 177.300 0.116 0.000 1.253 424 P CA -0.839 62.292 63.100 0.052 0.000 0.800 424 P CB 0.763 32.352 31.700 -0.185 0.000 0.961 425 K N 2.308 122.814 120.400 0.176 0.000 2.430 425 K HA 0.283 4.608 4.320 0.009 0.000 0.280 425 K C 1.117 177.832 176.600 0.191 0.000 1.063 425 K CA 1.344 57.723 56.287 0.152 0.000 1.071 425 K CB -1.263 31.317 32.500 0.134 0.000 0.899 425 K HN 0.750 nan 8.250 nan 0.000 0.473 426 G N 2.085 110.963 108.800 0.130 0.000 2.184 426 G HA2 -0.169 3.796 3.960 0.009 0.000 0.206 426 G HA3 -0.169 3.796 3.960 0.009 0.000 0.206 426 G C 0.128 174.967 174.900 -0.102 0.000 0.995 426 G CA -0.144 44.916 45.100 -0.066 0.000 0.651 426 G HN 0.929 nan 8.290 nan 0.000 0.511 427 A N 0.398 123.230 122.820 0.020 0.000 2.440 427 A HA 0.697 5.022 4.320 0.009 0.000 0.251 427 A C 0.431 177.936 177.584 -0.132 0.000 1.089 427 A CA 0.243 52.265 52.037 -0.026 0.000 0.779 427 A CB 0.355 19.321 19.000 -0.057 0.000 1.022 427 A HN 0.818 nan 8.150 nan 0.000 0.492 428 L N 2.308 123.446 121.223 -0.143 0.000 2.317 428 L HA 0.335 4.681 4.340 0.009 0.000 0.281 428 L C -0.369 176.408 176.870 -0.154 0.000 1.024 428 L CA -0.973 53.782 54.840 -0.143 0.000 0.810 428 L CB 1.612 43.602 42.059 -0.115 0.000 1.240 428 L HN 0.667 nan 8.230 nan 0.000 0.427 429 L N 4.658 125.795 121.223 -0.143 0.000 2.342 429 L HA 0.202 4.547 4.340 0.009 0.000 0.285 429 L C 0.153 176.998 176.870 -0.041 0.000 1.095 429 L CA 0.412 55.185 54.840 -0.111 0.000 0.843 429 L CB 0.052 42.070 42.059 -0.068 0.000 1.201 429 L HN 0.554 nan 8.230 nan 0.000 0.445 430 N N 6.590 125.280 118.700 -0.017 0.000 2.500 430 N HA 0.206 4.951 4.740 0.009 0.000 0.236 430 N C -1.285 174.263 175.510 0.063 0.000 1.022 430 N CA -0.487 52.581 53.050 0.029 0.000 0.935 430 N CB 0.491 38.988 38.487 0.017 0.000 1.147 430 N HN 0.625 nan 8.380 nan 0.000 0.512 431 L N 2.991 124.254 121.223 0.067 0.000 2.265 431 L HA 0.349 4.694 4.340 0.009 0.000 0.288 431 L C 0.179 177.081 176.870 0.053 0.000 1.058 431 L CA -0.380 54.492 54.840 0.053 0.000 0.809 431 L CB 1.273 43.343 42.059 0.020 0.000 1.179 431 L HN 0.383 nan 8.230 nan 0.000 0.429 432 Q N 3.950 123.754 119.800 0.007 0.000 2.397 432 Q HA 0.610 4.955 4.340 0.009 0.000 0.275 432 Q C -1.144 174.710 176.000 -0.243 0.000 1.090 432 Q CA -0.751 54.992 55.803 -0.100 0.000 0.809 432 Q CB 3.474 32.112 28.738 -0.167 0.000 1.362 432 Q HN 0.540 nan 8.270 nan 0.000 0.431 433 I N 2.210 122.584 120.570 -0.326 0.000 2.378 433 I HA 0.357 4.532 4.170 0.009 0.000 0.291 433 I C -1.193 174.574 176.117 -0.584 0.000 0.992 433 I CA -0.639 60.453 61.300 -0.347 0.000 1.154 433 I CB 0.798 38.732 38.000 -0.111 0.000 1.315 433 I HN 0.508 nan 8.210 nan 0.000 0.448 434 Y N 4.891 124.841 120.300 -0.583 0.000 2.446 434 Y HA 0.546 5.102 4.550 0.009 0.000 0.338 434 Y C 0.279 175.938 175.900 -0.401 0.000 1.055 434 Y CA -0.728 57.041 58.100 -0.551 0.000 1.101 434 Y CB 1.745 39.691 38.460 -0.857 0.000 1.221 434 Y HN 0.607 nan 8.280 nan 0.000 0.460 435 C N -0.014 119.280 119.300 -0.010 0.000 2.614 435 C HA 1.049 5.515 4.460 0.009 0.000 0.320 435 C C 0.303 175.382 174.990 0.147 0.000 1.200 435 C CA -0.550 58.496 59.018 0.046 0.000 1.700 435 C CB 0.938 28.698 27.740 0.033 0.000 2.275 435 C HN 1.047 nan 8.230 nan 0.000 0.492 459 Q N 2.851 122.779 119.800 0.214 0.000 2.327 459 Q HA 0.584 4.929 4.340 0.009 0.000 0.265 459 Q C -1.880 174.200 176.000 0.134 0.000 0.993 459 Q CA -0.876 55.033 55.803 0.175 0.000 0.885 459 Q CB 2.516 31.303 28.738 0.082 0.000 1.379 459 Q HN 0.743 nan 8.270 nan 0.000 0.408 460 L N 4.798 126.045 121.223 0.039 0.000 2.410 460 L HA 0.170 4.515 4.340 0.009 0.000 0.273 460 L C -0.491 176.240 176.870 -0.232 0.000 1.144 460 L CA 0.896 55.544 54.840 -0.319 0.000 0.863 460 L CB 0.425 42.303 42.059 -0.302 0.000 1.140 460 L HN 0.935 nan 8.230 nan 0.000 0.463 461 L N 4.801 125.846 121.223 -0.295 0.000 2.433 461 L HA 0.234 4.579 4.340 0.009 0.000 0.200 461 L C -0.427 176.090 176.870 -0.589 0.000 1.059 461 L CA 0.028 54.632 54.840 -0.393 0.000 0.835 461 L CB 0.143 42.017 42.059 -0.309 0.000 1.076 461 L HN 0.497 nan 8.230 nan 0.000 0.481 462 Y N -1.625 118.631 120.300 -0.073 0.000 2.581 462 Y HA 0.505 5.061 4.550 0.009 0.000 0.345 462 Y C -0.787 175.141 175.900 0.045 0.000 1.036 462 Y CA -1.317 56.772 58.100 -0.017 0.000 1.042 462 Y CB 1.635 40.051 38.460 -0.073 0.000 1.289 462 Y HN -0.025 nan 8.280 nan 0.000 0.471 463 Y N -1.357 119.040 120.300 0.161 0.000 2.638 463 Y HA 0.881 5.436 4.550 0.009 0.000 0.335 463 Y C -1.970 174.039 175.900 0.182 0.000 1.155 463 Y CA -1.504 56.654 58.100 0.096 0.000 1.046 463 Y CB 1.578 40.068 38.460 0.050 0.000 1.303 463 Y HN 0.621 nan 8.280 nan 0.000 0.460 464 V N 1.629 121.690 119.914 0.245 0.000 3.236 464 V HA 0.500 4.625 4.120 0.009 0.000 0.287 464 V C -2.099 174.101 176.094 0.177 0.000 1.491 464 V CA -0.840 61.578 62.300 0.197 0.000 1.037 464 V CB 2.529 34.374 31.823 0.038 0.000 1.160 464 V HN 1.014 nan 8.190 nan 0.000 0.453 465 N N 2.952 121.748 118.700 0.160 0.000 2.240 465 N HA 0.737 5.482 4.740 0.009 0.000 0.302 465 N C -1.810 173.716 175.510 0.027 0.000 1.106 465 N CA -0.402 52.697 53.050 0.081 0.000 0.778 465 N CB 2.632 41.167 38.487 0.080 0.000 1.431 465 N HN 0.562 nan 8.380 nan 0.000 0.479 466 L N 1.492 122.689 121.223 -0.043 0.000 2.438 466 L HA 0.491 4.836 4.340 0.009 0.000 0.270 466 L C -1.273 175.533 176.870 -0.106 0.000 0.972 466 L CA -0.482 54.297 54.840 -0.103 0.000 0.831 466 L CB 1.510 43.427 42.059 -0.237 0.000 1.273 466 L HN 0.444 nan 8.230 nan 0.000 0.405 467 L N 5.908 127.082 121.223 -0.082 0.000 2.418 467 L HA 0.150 4.495 4.340 0.009 0.000 0.274 467 L C 1.220 178.046 176.870 -0.073 0.000 1.135 467 L CA 0.082 54.861 54.840 -0.101 0.000 0.870 467 L CB 0.579 42.575 42.059 -0.103 0.000 1.154 467 L HN 0.736 nan 8.230 nan 0.000 0.462 468 L N 4.723 125.888 121.223 -0.097 0.000 2.395 468 L HA 0.098 4.443 4.340 0.009 0.000 0.218 468 L C 0.465 177.324 176.870 -0.019 0.000 1.130 468 L CA 0.831 55.621 54.840 -0.084 0.000 0.826 468 L CB 0.025 41.958 42.059 -0.209 0.000 0.941 468 L HN 0.528 nan 8.230 nan 0.000 0.451 469 I N 0.142 120.715 120.570 0.005 0.000 2.466 469 I HA 0.157 4.332 4.170 0.009 0.000 0.289 469 I C -0.652 175.523 176.117 0.097 0.000 1.026 469 I CA -0.903 60.417 61.300 0.034 0.000 1.078 469 I CB 1.909 39.923 38.000 0.022 0.000 1.249 469 I HN -0.015 nan 8.210 nan 0.000 0.429 470 D N 4.766 125.188 120.400 0.038 0.000 2.478 470 D HA 0.047 4.692 4.640 0.009 0.000 0.274 470 D C 1.184 177.412 176.300 -0.119 0.000 1.234 470 D CA -0.035 54.011 54.000 0.077 0.000 1.069 470 D CB 0.292 41.076 40.800 -0.027 0.000 1.113 470 D HN 0.597 nan 8.370 nan 0.000 0.571 471 H N -0.950 118.023 119.070 -0.163 0.000 2.561 471 H HA 0.102 4.664 4.556 0.009 0.000 0.278 471 H C 0.693 175.810 175.328 -0.352 0.000 1.014 471 H CA 0.499 56.300 56.048 -0.410 0.000 1.211 471 H CB -0.212 29.403 29.762 -0.246 0.000 1.365 471 H HN 0.336 nan 8.280 nan 0.000 0.594 472 R N -0.541 119.678 120.500 -0.469 0.000 2.468 472 R HA 0.156 4.501 4.340 0.009 0.000 0.280 472 R C -0.399 176.019 176.300 0.197 0.000 0.963 472 R CA -0.238 55.769 56.100 -0.156 0.000 1.083 472 R CB 0.176 30.286 30.300 -0.316 0.000 1.200 472 R HN 0.118 nan 8.270 nan 0.000 0.541 473 F N -0.473 119.357 119.950 -0.200 0.000 2.884 473 F HA -0.268 4.264 4.527 0.009 0.000 0.294 473 F C -0.130 175.605 175.800 -0.108 0.000 0.723 473 F CA 0.063 57.987 58.000 -0.126 0.000 1.294 473 F CB -1.515 37.410 39.000 -0.125 0.000 1.551 473 F HN 0.039 nan 8.300 nan 0.000 0.363 474 L N 1.347 122.574 121.223 0.007 0.000 2.305 474 L HA 0.412 4.757 4.340 0.009 0.000 0.281 474 L C 0.468 177.346 176.870 0.013 0.000 1.085 474 L CA -0.979 53.860 54.840 -0.002 0.000 0.813 474 L CB 0.926 42.962 42.059 -0.037 0.000 1.157 474 L HN 0.023 nan 8.230 nan 0.000 0.436 475 L N 3.398 124.643 121.223 0.037 0.000 2.483 475 L HA 0.109 4.454 4.340 0.009 0.000 0.276 475 L C 0.354 177.273 176.870 0.081 0.000 1.213 475 L CA 0.253 55.132 54.840 0.064 0.000 0.843 475 L CB 0.265 42.376 42.059 0.087 0.000 1.107 475 L HN 0.436 nan 8.230 nan 0.000 0.487 476 R N 3.813 124.371 120.500 0.097 0.000 2.389 476 R HA 0.432 4.778 4.340 0.009 0.000 0.295 476 R C -0.840 175.563 176.300 0.171 0.000 1.075 476 R CA 0.280 56.449 56.100 0.116 0.000 1.005 476 R CB 0.239 30.564 30.300 0.040 0.000 0.987 476 R HN 0.638 nan 8.270 nan 0.000 0.452 477 R N 1.763 122.393 120.500 0.217 0.000 2.574 477 R HA 0.672 5.017 4.340 0.009 0.000 0.288 477 R C -0.453 175.997 176.300 0.249 0.000 1.004 477 R CA -0.293 55.931 56.100 0.206 0.000 0.895 477 R CB 2.230 32.608 30.300 0.131 0.000 1.191 477 R HN 0.856 nan 8.270 nan 0.000 0.444 478 G N 1.568 110.502 108.800 0.223 0.000 2.342 478 G HA2 -0.140 3.826 3.960 0.009 0.000 0.220 478 G HA3 -0.140 3.826 3.960 0.009 0.000 0.220 478 G C -1.405 173.535 174.900 0.066 0.000 1.243 478 G CA -0.930 44.229 45.100 0.098 0.000 1.083 478 G HN 0.397 nan 8.290 nan 0.000 0.500 479 E N 0.111 120.204 120.200 -0.177 0.000 2.197 479 E HA 0.611 4.967 4.350 0.009 0.000 0.281 479 E C -1.266 175.065 176.600 -0.449 0.000 0.995 479 E CA -0.046 56.249 56.400 -0.175 0.000 0.808 479 E CB 1.416 31.034 29.700 -0.137 0.000 1.093 479 E HN 0.399 nan 8.360 nan 0.000 0.394 480 Y N 0.087 120.351 120.300 -0.060 0.000 2.421 480 Y HA 0.296 4.851 4.550 0.009 0.000 0.339 480 Y C -0.299 175.537 175.900 -0.107 0.000 0.996 480 Y CA -0.902 57.143 58.100 -0.091 0.000 1.046 480 Y CB 1.920 40.297 38.460 -0.138 0.000 1.226 480 Y HN 0.097 nan 8.280 nan 0.000 0.445 481 V N 5.453 125.370 119.914 0.005 0.000 2.326 481 V HA 0.412 4.538 4.120 0.009 0.000 0.281 481 V C -0.540 175.455 176.094 -0.164 0.000 1.015 481 V CA -0.751 61.489 62.300 -0.100 0.000 0.823 481 V CB 1.021 32.761 31.823 -0.138 0.000 1.009 481 V HN 0.571 nan 8.190 nan 0.000 0.436 482 L N 4.814 125.923 121.223 -0.190 0.000 2.296 482 L HA 0.565 4.911 4.340 0.009 0.000 0.286 482 L C -0.014 176.661 176.870 -0.324 0.000 1.023 482 L CA -0.639 54.093 54.840 -0.179 0.000 0.812 482 L CB 1.052 43.051 42.059 -0.100 0.000 1.223 482 L HN 0.570 nan 8.230 nan 0.000 0.421 483 H N 4.798 123.777 119.070 -0.150 0.000 2.690 483 H HA 0.380 4.941 4.556 0.009 0.000 0.314 483 H C -0.252 174.822 175.328 -0.422 0.000 1.069 483 H CA -0.014 55.877 56.048 -0.262 0.000 1.436 483 H CB 1.215 30.816 29.762 -0.269 0.000 1.462 483 H HN 0.488 nan 8.280 nan 0.000 0.511 484 M N 2.114 121.529 119.600 -0.308 0.000 2.573 484 M HA 0.254 4.739 4.480 0.009 0.000 0.309 484 M C -0.482 175.530 176.300 -0.480 0.000 1.202 484 M CA -0.719 54.358 55.300 -0.372 0.000 0.975 484 M CB 1.494 33.987 32.600 -0.178 0.000 1.600 484 M HN 0.410 nan 8.290 nan 0.000 0.479 485 W N 0.681 121.777 121.300 -0.341 0.000 2.381 485 W HA 0.449 5.115 4.660 0.009 0.000 0.329 485 W C 0.087 176.515 176.519 -0.152 0.000 1.157 485 W CA -0.266 56.867 57.345 -0.353 0.000 1.240 485 W CB 0.499 29.561 29.460 -0.665 0.000 1.199 485 W HN 0.488 nan 8.180 nan 0.000 0.579 486 Q N 2.192 122.124 119.800 0.220 0.000 2.222 486 Q HA 0.352 4.698 4.340 0.009 0.000 0.252 486 Q C -0.421 175.639 176.000 0.100 0.000 0.926 486 Q CA -0.731 55.105 55.803 0.056 0.000 0.899 486 Q CB 0.958 29.735 28.738 0.066 0.000 1.250 486 Q HN 0.295 nan 8.270 nan 0.000 0.441 487 I N 2.270 122.826 120.570 -0.023 0.000 2.612 487 I HA 0.119 4.295 4.170 0.009 0.000 0.295 487 I C 0.783 176.907 176.117 0.011 0.000 1.011 487 I CA 0.200 61.528 61.300 0.047 0.000 1.326 487 I CB 1.214 39.204 38.000 -0.015 0.000 1.427 487 I HN 0.767 nan 8.210 nan 0.000 0.537 496 S N -0.228 115.295 115.700 -0.295 0.000 2.586 496 S HA 0.668 5.143 4.470 0.009 0.000 0.274 496 S C -0.170 174.221 174.600 -0.348 0.000 1.281 496 S CA -0.548 57.505 58.200 -0.245 0.000 1.035 496 S CB 1.157 64.295 63.200 -0.104 0.000 0.962 496 S HN 0.114 nan 8.310 nan 0.000 0.512 497 F N 1.699 121.618 119.950 -0.052 0.000 2.894 497 F HA 0.351 4.883 4.527 0.009 0.000 0.310 497 F C 0.960 176.735 175.800 -0.042 0.000 1.204 497 F CA -0.764 57.205 58.000 -0.052 0.000 1.290 497 F CB -0.415 38.558 39.000 -0.045 0.000 1.317 497 F HN 0.545 nan 8.300 nan 0.000 0.545 498 N N 1.139 119.853 118.700 0.023 0.000 2.488 498 N HA 0.227 4.973 4.740 0.009 0.000 0.274 498 N C 0.972 176.485 175.510 0.005 0.000 1.111 498 N CA 0.181 53.226 53.050 -0.008 0.000 0.974 498 N CB 1.640 40.072 38.487 -0.091 0.000 1.089 498 N HN 0.338 nan 8.380 nan 0.000 0.465 499 A N 3.183 126.035 122.820 0.053 0.000 2.066 499 A HA -0.085 4.240 4.320 0.009 0.000 0.218 499 A C 1.401 179.032 177.584 0.078 0.000 1.157 499 A CA 0.962 53.061 52.037 0.104 0.000 0.670 499 A CB -0.094 18.899 19.000 -0.012 0.000 0.804 499 A HN 0.717 nan 8.150 nan 0.000 0.453 500 D N 0.350 120.698 120.400 -0.088 0.000 2.178 500 D HA -0.108 4.537 4.640 0.009 0.000 0.201 500 D C 1.581 177.765 176.300 -0.193 0.000 0.980 500 D CA 1.023 54.821 54.000 -0.337 0.000 0.842 500 D CB -0.200 40.069 40.800 -0.886 0.000 0.948 500 D HN 0.482 nan 8.370 nan 0.000 0.472 501 K N 0.116 120.388 120.400 -0.213 0.000 2.515 501 K HA -0.003 4.322 4.320 0.009 0.000 0.196 501 K C 1.675 178.215 176.600 -0.100 0.000 1.038 501 K CA 0.376 56.440 56.287 -0.372 0.000 0.967 501 K CB 0.185 32.384 32.500 -0.501 0.000 0.780 501 K HN 0.242 nan 8.250 nan 0.000 0.483 502 L N -0.126 121.098 121.223 0.001 0.000 2.590 502 L HA 0.054 4.400 4.340 0.009 0.000 0.227 502 L C 1.250 178.150 176.870 0.050 0.000 1.099 502 L CA -0.143 54.723 54.840 0.044 0.000 0.872 502 L CB 0.118 42.237 42.059 0.100 0.000 1.088 502 L HN -0.027 nan 8.230 nan 0.000 0.479 503 T N -0.110 114.437 114.554 -0.012 0.000 2.946 503 T HA -0.031 4.324 4.350 0.009 0.000 0.311 503 T C 1.319 176.008 174.700 -0.017 0.000 1.063 503 T CA 0.530 62.529 62.100 -0.169 0.000 1.139 503 T CB 0.824 69.312 68.868 -0.633 0.000 0.994 503 T HN 0.374 nan 8.240 nan 0.000 0.547 504 S N 3.008 118.695 115.700 -0.021 0.000 2.548 504 S HA 0.375 4.851 4.470 0.009 0.000 0.215 504 S C 0.942 175.620 174.600 0.130 0.000 0.976 504 S CA -0.051 58.172 58.200 0.039 0.000 0.908 504 S CB 0.017 63.187 63.200 -0.051 0.000 0.781 504 S HN 0.938 nan 8.310 nan 0.000 0.519 505 A N 2.658 125.546 122.820 0.114 0.000 2.445 505 A HA 0.521 4.846 4.320 0.009 0.000 0.242 505 A C 0.742 178.540 177.584 0.357 0.000 1.075 505 A CA -0.044 52.106 52.037 0.188 0.000 0.777 505 A CB -0.076 18.999 19.000 0.125 0.000 1.013 505 A HN 0.574 nan 8.150 nan 0.000 0.493 506 T N 0.565 115.250 114.554 0.217 0.000 2.922 506 T HA 0.330 4.686 4.350 0.009 0.000 0.285 506 T C 0.240 174.772 174.700 -0.280 0.000 1.005 506 T CA -0.920 61.198 62.100 0.030 0.000 1.061 506 T CB 0.636 69.542 68.868 0.064 0.000 1.007 506 T HN 0.619 nan 8.240 nan 0.000 0.502 507 N N 2.557 120.642 118.700 -1.024 0.000 2.411 507 N HA 0.070 4.815 4.740 0.009 0.000 0.261 507 N C -1.698 173.494 175.510 -0.529 0.000 1.248 507 N CA -1.694 50.548 53.050 -1.347 0.000 0.885 507 N CB 1.050 38.719 38.487 -1.363 0.000 1.062 507 N HN 0.373 nan 8.380 nan 0.000 0.471 508 P HA -0.003 nan 4.420 nan 0.000 0.224 508 P C -0.035 177.138 177.300 -0.211 0.000 1.157 508 P CA 0.592 63.592 63.100 -0.167 0.000 0.799 508 P CB 0.193 31.875 31.700 -0.030 0.000 0.809 509 D N 0.525 120.785 120.400 -0.233 0.000 2.662 509 D HA -0.015 4.631 4.640 0.009 0.000 0.228 509 D C 1.052 177.177 176.300 -0.292 0.000 1.093 509 D CA 0.146 54.026 54.000 -0.199 0.000 1.075 509 D CB -0.386 40.333 40.800 -0.135 0.000 1.122 509 D HN -0.004 nan 8.370 nan 0.000 0.475 510 K N 0.491 120.655 120.400 -0.393 0.000 2.152 510 K HA -0.202 4.123 4.320 0.009 0.000 0.206 510 K C 1.669 178.071 176.600 -0.330 0.000 1.048 510 K CA 0.911 56.820 56.287 -0.631 0.000 0.933 510 K CB 0.224 32.382 32.500 -0.570 0.000 0.721 510 K HN 0.433 nan 8.250 nan 0.000 0.447 511 E N 0.742 120.827 120.200 -0.193 0.000 2.031 511 E HA -0.200 4.155 4.350 0.009 0.000 0.193 511 E C 1.281 177.834 176.600 -0.079 0.000 0.994 511 E CA 1.490 57.825 56.400 -0.108 0.000 0.800 511 E CB 0.183 29.836 29.700 -0.077 0.000 0.752 511 E HN 0.274 nan 8.360 nan 0.000 0.447 512 N N 0.133 118.786 118.700 -0.079 0.000 2.415 512 N HA -0.025 4.720 4.740 0.009 0.000 0.174 512 N C 0.267 175.753 175.510 -0.040 0.000 1.048 512 N CA 0.639 53.663 53.050 -0.043 0.000 0.895 512 N CB 0.244 38.717 38.487 -0.023 0.000 1.036 512 N HN 0.084 nan 8.380 nan 0.000 0.449 513 S N 0.773 116.427 115.700 -0.076 0.000 2.572 513 S HA 0.210 4.685 4.470 0.009 0.000 0.279 513 S C 0.442 175.002 174.600 -0.066 0.000 1.341 513 S CA -0.736 57.420 58.200 -0.073 0.000 1.043 513 S CB 0.811 63.921 63.200 -0.151 0.000 0.887 513 S HN 0.187 nan 8.310 nan 0.000 0.516 514 M N 3.266 122.747 119.600 -0.198 0.000 2.245 514 M HA 0.390 4.875 4.480 0.009 0.000 0.344 514 M C -0.092 176.066 176.300 -0.235 0.000 1.170 514 M CA 0.489 55.586 55.300 -0.339 0.000 1.135 514 M CB 0.442 32.476 32.600 -0.943 0.000 1.574 514 M HN 0.972 nan 8.290 nan 0.000 0.452 515 S N 5.167 120.746 115.700 -0.201 0.000 2.595 515 S HA 0.813 5.289 4.470 0.009 0.000 0.281 515 S C -0.940 173.549 174.600 -0.186 0.000 1.117 515 S CA -1.066 56.985 58.200 -0.248 0.000 0.873 515 S CB 1.304 64.250 63.200 -0.423 0.000 1.108 515 S HN 0.951 nan 8.310 nan 0.000 0.477 516 I N 1.094 121.558 120.570 -0.177 0.000 2.608 516 I HA 0.591 4.766 4.170 0.009 0.000 0.295 516 I C -1.076 174.988 176.117 -0.089 0.000 1.049 516 I CA -0.424 60.817 61.300 -0.098 0.000 1.063 516 I CB 2.265 40.217 38.000 -0.080 0.000 1.248 516 I HN 0.789 nan 8.210 nan 0.000 0.424 517 S N 7.658 123.329 115.700 -0.049 0.000 2.451 517 S HA 0.694 5.169 4.470 0.009 0.000 0.301 517 S C -0.568 174.012 174.600 -0.034 0.000 1.116 517 S CA -0.551 57.625 58.200 -0.041 0.000 1.093 517 S CB 1.152 64.327 63.200 -0.040 0.000 1.017 517 S HN 0.516 nan 8.310 nan 0.000 0.482 518 I N 0.479 121.040 120.570 -0.015 0.000 2.969 518 I HA 0.816 4.992 4.170 0.009 0.000 0.307 518 I C -1.727 174.393 176.117 0.005 0.000 1.149 518 I CA -1.355 59.928 61.300 -0.027 0.000 1.008 518 I CB 1.845 39.842 38.000 -0.005 0.000 1.232 518 I HN 0.488 nan 8.210 nan 0.000 0.435 519 L N 4.491 125.674 121.223 -0.067 0.000 2.385 519 L HA 0.714 5.059 4.340 0.009 0.000 0.273 519 L C -1.568 175.339 176.870 0.061 0.000 0.990 519 L CA -0.249 54.585 54.840 -0.010 0.000 0.821 519 L CB 1.675 43.674 42.059 -0.099 0.000 1.279 519 L HN 0.685 nan 8.230 nan 0.000 0.412 528 A N 5.281 128.082 122.820 -0.033 0.000 2.386 528 A HA 0.863 5.189 4.320 0.009 0.000 0.311 528 A C -1.081 176.436 177.584 -0.112 0.000 1.068 528 A CA -0.636 51.377 52.037 -0.040 0.000 0.743 528 A CB 1.901 20.873 19.000 -0.046 0.000 1.258 528 A HN 0.718 nan 8.150 nan 0.000 0.429 529 L N 3.528 124.714 121.223 -0.061 0.000 2.410 529 L HA 0.419 4.765 4.340 0.009 0.000 0.273 529 L C -2.114 174.544 176.870 -0.354 0.000 1.144 529 L CA -0.823 53.904 54.840 -0.188 0.000 0.863 529 L CB 0.250 42.353 42.059 0.073 0.000 1.140 529 L HN 0.452 nan 8.230 nan 0.000 0.463 530 P HA 0.225 nan 4.420 nan 0.000 0.282 530 P C -1.452 175.454 177.300 -0.656 0.000 1.286 530 P CA -0.363 62.233 63.100 -0.839 0.000 0.777 530 P CB 0.463 31.364 31.700 -1.332 0.000 1.184 531 K N -0.501 119.631 120.400 -0.448 0.000 2.318 531 K HA 0.444 4.769 4.320 0.009 0.000 0.249 531 K C -0.692 175.883 176.600 -0.042 0.000 0.942 531 K CA -0.671 55.513 56.287 -0.172 0.000 0.808 531 K CB 1.085 33.501 32.500 -0.139 0.000 1.189 531 K HN 0.491 nan 8.250 nan 0.000 0.428 532 H N 1.014 120.265 119.070 0.302 0.000 2.487 532 H HA 0.264 4.826 4.556 0.009 0.000 0.333 532 H C -0.290 175.174 175.328 0.227 0.000 1.114 532 H CA -0.117 56.144 56.048 0.355 0.000 1.310 532 H CB 1.075 31.132 29.762 0.493 0.000 1.462 532 H HN 0.341 nan 8.280 nan 0.000 0.516 545 A N 2.437 125.267 122.820 0.017 0.000 2.520 545 A HA 0.065 4.390 4.320 0.009 0.000 0.245 545 A C 0.359 177.966 177.584 0.040 0.000 1.072 545 A CA 0.144 52.200 52.037 0.031 0.000 0.761 545 A CB 0.251 19.280 19.000 0.047 0.000 1.004 545 A HN 0.749 nan 8.150 nan 0.000 0.499 546 E N 2.595 122.806 120.200 0.018 0.000 2.481 546 E HA 0.055 4.410 4.350 0.009 0.000 0.263 546 E C -0.157 176.441 176.600 -0.002 0.000 0.992 546 E CA 0.136 56.538 56.400 0.002 0.000 0.938 546 E CB 0.233 29.930 29.700 -0.006 0.000 0.933 546 E HN 0.628 nan 8.360 nan 0.000 0.453 547 M N 5.403 124.968 119.600 -0.057 0.000 2.238 547 M HA 0.124 4.609 4.480 0.009 0.000 0.350 547 M C -1.986 174.265 176.300 -0.082 0.000 1.321 547 M CA -1.545 53.676 55.300 -0.131 0.000 1.097 547 M CB 0.356 32.758 32.600 -0.330 0.000 1.713 547 M HN 0.311 nan 8.290 nan 0.000 0.455 548 P HA -0.076 nan 4.420 nan 0.000 0.261 548 P C 0.392 177.657 177.300 -0.059 0.000 1.183 548 P CA 0.389 63.474 63.100 -0.025 0.000 0.761 548 P CB 0.213 31.920 31.700 0.012 0.000 0.785 549 N N 3.207 121.880 118.700 -0.044 0.000 2.069 549 N HA -0.302 4.443 4.740 0.009 0.000 0.196 549 N C 1.190 176.667 175.510 -0.055 0.000 1.024 549 N CA 1.446 54.467 53.050 -0.049 0.000 0.869 549 N CB 0.101 38.569 38.487 -0.031 0.000 1.035 549 N HN 0.415 nan 8.380 nan 0.000 0.434 550 Q N 0.474 120.252 119.800 -0.038 0.000 2.226 550 Q HA -0.083 4.263 4.340 0.009 0.000 0.204 550 Q C 2.294 178.268 176.000 -0.044 0.000 0.975 550 Q CA 0.777 56.561 55.803 -0.031 0.000 0.866 550 Q CB -0.335 28.395 28.738 -0.012 0.000 0.915 550 Q HN 0.569 nan 8.270 nan 0.000 0.440 551 L N -0.024 121.159 121.223 -0.067 0.000 2.131 551 L HA -0.046 4.300 4.340 0.009 0.000 0.206 551 L C 2.723 179.485 176.870 -0.180 0.000 1.087 551 L CA 0.806 55.585 54.840 -0.101 0.000 0.767 551 L CB -0.385 41.596 42.059 -0.129 0.000 0.917 551 L HN 0.157 nan 8.230 nan 0.000 0.441 552 R N 0.829 121.208 120.500 -0.201 0.000 2.081 552 R HA -0.174 4.172 4.340 0.009 0.000 0.235 552 R C 2.276 178.502 176.300 -0.123 0.000 1.131 552 R CA 1.400 57.387 56.100 -0.188 0.000 0.960 552 R CB 0.027 30.237 30.300 -0.150 0.000 0.856 552 R HN 0.248 nan 8.270 nan 0.000 0.436 553 K N 0.223 120.572 120.400 -0.086 0.000 2.032 553 K HA -0.251 4.074 4.320 0.009 0.000 0.209 553 K C 2.243 178.810 176.600 -0.056 0.000 1.048 553 K CA 1.985 58.236 56.287 -0.060 0.000 0.927 553 K CB -0.161 32.314 32.500 -0.041 0.000 0.712 553 K HN 0.303 nan 8.250 nan 0.000 0.441 554 Q N 0.867 120.637 119.800 -0.050 0.000 2.050 554 Q HA -0.200 4.146 4.340 0.009 0.000 0.202 554 Q C 2.192 178.168 176.000 -0.040 0.000 0.980 554 Q CA 1.271 57.055 55.803 -0.031 0.000 0.840 554 Q CB -0.071 28.661 28.738 -0.009 0.000 0.898 554 Q HN 0.174 nan 8.270 nan 0.000 0.424 555 L N 1.270 122.452 121.223 -0.068 0.000 1.989 555 L HA -0.206 4.140 4.340 0.009 0.000 0.211 555 L C 1.962 178.768 176.870 -0.107 0.000 1.071 555 L CA 2.114 56.905 54.840 -0.081 0.000 0.749 555 L CB -0.462 41.517 42.059 -0.134 0.000 0.890 555 L HN 0.268 nan 8.230 nan 0.000 0.431 556 E N -0.681 119.441 120.200 -0.131 0.000 2.085 556 E HA -0.262 4.093 4.350 0.009 0.000 0.194 556 E C 2.180 178.734 176.600 -0.075 0.000 0.994 556 E CA 1.218 57.540 56.400 -0.130 0.000 0.801 556 E CB -0.384 29.251 29.700 -0.109 0.000 0.743 556 E HN 0.653 nan 8.360 nan 0.000 0.453 557 A N 1.262 124.050 122.820 -0.054 0.000 1.873 557 A HA -0.246 4.080 4.320 0.009 0.000 0.218 557 A C 2.215 179.783 177.584 -0.027 0.000 1.193 557 A CA 1.572 53.589 52.037 -0.034 0.000 0.629 557 A CB -0.792 18.192 19.000 -0.025 0.000 0.826 557 A HN 0.174 nan 8.150 nan 0.000 0.447 558 I N -0.215 120.339 120.570 -0.026 0.000 2.127 558 I HA -0.281 3.894 4.170 0.009 0.000 0.241 558 I C 2.198 178.306 176.117 -0.014 0.000 1.075 558 I CA 1.640 62.931 61.300 -0.014 0.000 1.334 558 I CB -0.386 37.611 38.000 -0.006 0.000 1.040 558 I HN 0.309 nan 8.210 nan 0.000 0.405 559 I N 0.760 121.310 120.570 -0.033 0.000 2.700 559 I HA -0.235 3.940 4.170 0.009 0.000 0.261 559 I C 2.406 178.518 176.117 -0.008 0.000 1.219 559 I CA 1.005 62.291 61.300 -0.024 0.000 1.463 559 I CB -0.465 37.491 38.000 -0.074 0.000 1.092 559 I HN 0.208 nan 8.210 nan 0.000 0.452 560 A N 0.367 123.177 122.820 -0.017 0.000 2.195 560 A HA 0.047 4.372 4.320 0.009 0.000 0.210 560 A C 1.453 179.033 177.584 -0.007 0.000 1.165 560 A CA 0.547 52.578 52.037 -0.011 0.000 0.806 560 A CB -0.653 18.337 19.000 -0.018 0.000 0.847 560 A HN 0.453 nan 8.150 nan 0.000 0.482 561 T N 0.053 114.604 114.554 -0.005 0.000 2.680 561 T HA 0.262 4.617 4.350 0.009 0.000 0.314 561 T C 0.051 174.752 174.700 0.001 0.000 1.045 561 T CA -0.018 62.080 62.100 -0.004 0.000 1.025 561 T CB 0.240 69.108 68.868 -0.001 0.000 1.000 561 T HN 0.480 nan 8.240 nan 0.000 0.535 562 D N 0.230 120.628 120.400 -0.004 0.000 2.340 562 D HA 0.225 4.870 4.640 0.009 0.000 0.251 562 D C -2.091 174.214 176.300 0.010 0.000 1.080 562 D CA -2.078 51.920 54.000 -0.002 0.000 0.971 562 D CB 0.942 41.732 40.800 -0.017 0.000 1.137 562 D HN 0.178 nan 8.370 nan 0.000 0.475 563 P HA -0.088 nan 4.420 nan 0.000 0.216 563 P C 1.347 178.652 177.300 0.009 0.000 1.150 563 P CA 1.026 64.143 63.100 0.029 0.000 0.843 563 P CB 0.151 31.870 31.700 0.032 0.000 0.787 564 L N -1.681 119.539 121.223 -0.005 0.000 2.627 564 L HA 0.052 4.398 4.340 0.009 0.000 0.233 564 L C 1.050 177.909 176.870 -0.017 0.000 1.144 564 L CA -0.027 54.799 54.840 -0.022 0.000 0.892 564 L CB -0.819 41.229 42.059 -0.018 0.000 1.039 564 L HN 0.069 nan 8.230 nan 0.000 0.442 565 N N 1.758 120.454 118.700 -0.007 0.000 2.411 565 N HA 0.184 4.930 4.740 0.009 0.000 0.259 565 N C -2.385 173.125 175.510 0.001 0.000 1.103 565 N CA -1.393 51.655 53.050 -0.004 0.000 0.954 565 N CB 1.307 39.793 38.487 -0.002 0.000 1.085 565 N HN -0.114 nan 8.380 nan 0.000 0.485 566 P HA 0.154 nan 4.420 nan 0.000 0.276 566 P C -0.662 176.643 177.300 0.008 0.000 1.230 566 P CA -0.037 63.066 63.100 0.004 0.000 0.776 566 P CB 0.842 32.547 31.700 0.008 0.000 0.888 567 L N 2.585 123.814 121.223 0.009 0.000 2.292 567 L HA 0.356 4.701 4.340 0.009 0.000 0.284 567 L C 1.248 178.123 176.870 0.009 0.000 1.065 567 L CA -0.488 54.359 54.840 0.011 0.000 0.806 567 L CB 0.851 42.919 42.059 0.015 0.000 1.175 567 L HN 0.417 nan 8.230 nan 0.000 0.431 568 T N -0.434 114.125 114.554 0.009 0.000 2.849 568 T HA 0.354 4.709 4.350 0.009 0.000 0.284 568 T C 1.257 175.959 174.700 0.004 0.000 1.004 568 T CA -0.179 61.924 62.100 0.006 0.000 1.021 568 T CB 1.601 70.473 68.868 0.006 0.000 1.013 568 T HN 0.634 nan 8.240 nan 0.000 0.527 569 A N 0.724 123.543 122.820 -0.002 0.000 1.978 569 A HA -0.109 4.216 4.320 0.009 0.000 0.220 569 A C 2.229 179.813 177.584 -0.001 0.000 1.170 569 A CA 1.698 53.730 52.037 -0.009 0.000 0.636 569 A CB -0.957 18.034 19.000 -0.016 0.000 0.810 569 A HN 0.977 nan 8.150 nan 0.000 0.448 570 E N -0.170 120.033 120.200 0.004 0.000 2.077 570 E HA -0.183 4.172 4.350 0.009 0.000 0.193 570 E C 1.341 177.957 176.600 0.028 0.000 0.989 570 E CA 1.143 57.551 56.400 0.012 0.000 0.800 570 E CB -0.231 29.475 29.700 0.011 0.000 0.746 570 E HN 0.571 nan 8.360 nan 0.000 0.452 571 D N 0.991 121.406 120.400 0.026 0.000 2.097 571 D HA -0.125 4.520 4.640 0.009 0.000 0.195 571 D C 1.808 178.137 176.300 0.048 0.000 0.989 571 D CA 1.115 55.136 54.000 0.036 0.000 0.827 571 D CB -0.071 40.744 40.800 0.025 0.000 0.966 571 D HN 0.132 nan 8.370 nan 0.000 0.456 572 K N 0.757 121.178 120.400 0.035 0.000 2.057 572 K HA -0.100 4.225 4.320 0.009 0.000 0.207 572 K C 2.116 178.763 176.600 0.079 0.000 1.049 572 K CA 0.814 57.125 56.287 0.040 0.000 0.931 572 K CB -0.075 32.424 32.500 -0.002 0.000 0.714 572 K HN 0.184 nan 8.250 nan 0.000 0.440 573 E N 0.746 120.980 120.200 0.057 0.000 2.160 573 E HA -0.206 4.149 4.350 0.009 0.000 0.195 573 E C 1.942 178.614 176.600 0.121 0.000 0.991 573 E CA 0.842 57.289 56.400 0.078 0.000 0.810 573 E CB -0.010 29.701 29.700 0.019 0.000 0.742 573 E HN 0.113 nan 8.360 nan 0.000 0.466 574 L N 0.380 121.676 121.223 0.121 0.000 2.068 574 L HA -0.086 4.260 4.340 0.009 0.000 0.204 574 L C 2.026 179.036 176.870 0.232 0.000 1.076 574 L CA 1.252 56.210 54.840 0.196 0.000 0.753 574 L CB -0.164 42.013 42.059 0.196 0.000 0.910 574 L HN 0.087 nan 8.230 nan 0.000 0.439 575 L N -1.563 119.755 121.223 0.159 0.000 2.079 575 L HA -0.280 4.065 4.340 0.009 0.000 0.210 575 L C 2.416 179.341 176.870 0.091 0.000 1.081 575 L CA 1.741 56.647 54.840 0.109 0.000 0.752 575 L CB -0.712 41.384 42.059 0.062 0.000 0.896 575 L HN 0.563 nan 8.230 nan 0.000 0.433 576 W N 0.091 121.353 121.300 -0.063 0.000 2.443 576 W HA -0.169 4.496 4.660 0.009 0.000 0.296 576 W C 2.532 178.984 176.519 -0.110 0.000 1.202 576 W CA 1.412 58.686 57.345 -0.118 0.000 1.312 576 W CB -0.362 29.024 29.460 -0.123 0.000 1.120 576 W HN 0.291 nan 8.180 nan 0.000 0.536 577 H N -0.536 118.400 119.070 -0.223 0.000 2.352 577 H HA -0.182 4.380 4.556 0.009 0.000 0.299 577 H C 0.384 175.352 175.328 -0.601 0.000 1.097 577 H CA 1.615 57.379 56.048 -0.475 0.000 1.311 577 H CB -0.695 28.752 29.762 -0.525 0.000 1.377 577 H HN 0.021 nan 8.280 nan 0.000 0.504 578 F N 1.621 121.444 119.950 -0.212 0.000 2.986 578 F HA 0.201 4.733 4.527 0.009 0.000 0.297 578 F C 1.772 177.431 175.800 -0.236 0.000 1.210 578 F CA -0.576 57.289 58.000 -0.224 0.000 1.346 578 F CB 0.202 39.140 39.000 -0.103 0.000 1.007 578 F HN 0.137 nan 8.300 nan 0.000 0.512 579 R N -1.094 119.220 120.500 -0.310 0.000 2.096 579 R HA -0.200 4.146 4.340 0.009 0.000 0.235 579 R C 1.032 177.115 176.300 -0.360 0.000 1.127 579 R CA 1.677 57.516 56.100 -0.436 0.000 0.968 579 R CB -0.945 28.858 30.300 -0.828 0.000 0.861 579 R HN 0.347 nan 8.270 nan 0.000 0.440 580 Y N 1.187 121.393 120.300 -0.157 0.000 2.293 580 Y HA -0.130 4.426 4.550 0.009 0.000 0.291 580 Y C 2.540 178.437 175.900 -0.006 0.000 1.137 580 Y CA 1.352 59.403 58.100 -0.081 0.000 1.202 580 Y CB -0.037 38.372 38.460 -0.085 0.000 0.990 580 Y HN 0.207 nan 8.280 nan 0.000 0.537 581 E N 0.031 120.319 120.200 0.148 0.000 2.072 581 E HA -0.124 4.232 4.350 0.009 0.000 0.190 581 E C 2.153 178.857 176.600 0.173 0.000 0.982 581 E CA 1.533 58.015 56.400 0.137 0.000 0.803 581 E CB -0.256 29.490 29.700 0.077 0.000 0.755 581 E HN 0.151 nan 8.360 nan 0.000 0.453 582 S N 0.165 115.917 115.700 0.087 0.000 2.419 582 S HA -0.142 4.334 4.470 0.009 0.000 0.235 582 S C 1.611 176.309 174.600 0.163 0.000 1.019 582 S CA 0.936 59.180 58.200 0.074 0.000 0.982 582 S CB -0.297 62.867 63.200 -0.060 0.000 0.789 582 S HN 0.252 nan 8.310 nan 0.000 0.490 583 L N 1.313 122.599 121.223 0.104 0.000 2.376 583 L HA 0.107 4.452 4.340 0.009 0.000 0.219 583 L C 1.529 178.612 176.870 0.355 0.000 1.133 583 L CA 1.372 56.325 54.840 0.189 0.000 0.816 583 L CB -0.284 41.819 42.059 0.073 0.000 0.933 583 L HN 0.090 nan 8.230 nan 0.000 0.449 584 K N -1.214 119.334 120.400 0.246 0.000 2.487 584 K HA 0.091 4.416 4.320 0.009 0.000 0.192 584 K C -0.301 176.219 176.600 -0.133 0.000 1.027 584 K CA 0.262 56.587 56.287 0.064 0.000 1.054 584 K CB -0.011 32.475 32.500 -0.023 0.000 0.824 584 K HN 0.361 nan 8.250 nan 0.000 0.510 585 H N -0.070 119.115 119.070 0.191 0.000 2.866 585 H HA 0.122 4.683 4.556 0.009 0.000 0.287 585 H C -2.212 173.235 175.328 0.199 0.000 1.106 585 H CA -2.054 54.081 56.048 0.144 0.000 1.396 585 H CB 1.674 31.500 29.762 0.106 0.000 1.469 585 H HN -0.133 nan 8.280 nan 0.000 0.500 586 P HA -0.191 nan 4.420 nan 0.000 0.217 586 P C 1.306 178.677 177.300 0.118 0.000 1.148 586 P CA 1.493 64.540 63.100 -0.089 0.000 0.834 586 P CB 0.391 32.005 31.700 -0.144 0.000 0.783 587 K N -1.207 119.294 120.400 0.168 0.000 2.366 587 K HA 0.100 4.426 4.320 0.009 0.000 0.198 587 K C 1.856 178.579 176.600 0.205 0.000 1.044 587 K CA 0.824 57.210 56.287 0.165 0.000 0.973 587 K CB -0.205 32.359 32.500 0.106 0.000 0.767 587 K HN 0.061 nan 8.250 nan 0.000 0.475 588 A N 0.124 123.107 122.820 0.272 0.000 2.169 588 A HA -0.062 4.263 4.320 0.009 0.000 0.212 588 A C 1.288 178.988 177.584 0.192 0.000 1.153 588 A CA 0.547 52.697 52.037 0.190 0.000 0.756 588 A CB -0.324 18.755 19.000 0.131 0.000 0.813 588 A HN 0.169 nan 8.150 nan 0.000 0.471 589 Y N 0.660 120.975 120.300 0.024 0.000 2.097 589 Y HA -0.114 4.441 4.550 0.009 0.000 0.282 589 Y C -0.226 175.693 175.900 0.031 0.000 1.152 589 Y CA 1.930 59.991 58.100 -0.064 0.000 1.136 589 Y CB -1.797 36.692 38.460 0.048 0.000 0.975 589 Y HN 0.275 nan 8.280 nan 0.000 0.498 590 P HA -0.174 nan 4.420 nan 0.000 0.216 590 P C 1.205 178.749 177.300 0.406 0.000 1.153 590 P CA 2.288 65.590 63.100 0.337 0.000 0.858 590 P CB -0.015 31.840 31.700 0.259 0.000 0.789 591 K N -1.231 119.292 120.400 0.205 0.000 2.167 591 K HA -0.048 4.277 4.320 0.009 0.000 0.203 591 K C 1.955 178.589 176.600 0.057 0.000 1.052 591 K CA 0.650 57.014 56.287 0.129 0.000 0.956 591 K CB -0.709 31.837 32.500 0.076 0.000 0.735 591 K HN 0.039 nan 8.250 nan 0.000 0.451 592 L N 0.320 121.492 121.223 -0.085 0.000 2.056 592 L HA -0.059 4.287 4.340 0.009 0.000 0.207 592 L C 1.567 178.311 176.870 -0.210 0.000 1.078 592 L CA 1.694 56.377 54.840 -0.262 0.000 0.749 592 L CB -0.282 41.410 42.059 -0.612 0.000 0.901 592 L HN 0.066 nan 8.230 nan 0.000 0.433 593 F N -1.258 118.817 119.950 0.208 0.000 2.661 593 F HA 0.021 4.554 4.527 0.009 0.000 0.298 593 F C 2.172 178.228 175.800 0.427 0.000 1.137 593 F CA 0.519 58.731 58.000 0.353 0.000 1.454 593 F CB -0.317 38.972 39.000 0.482 0.000 1.103 593 F HN -0.003 nan 8.300 nan 0.000 0.577 594 S N -1.109 114.832 115.700 0.402 0.000 2.603 594 S HA -0.037 4.438 4.470 0.009 0.000 0.220 594 S C 1.600 176.253 174.600 0.089 0.000 0.967 594 S CA 0.460 58.770 58.200 0.183 0.000 0.920 594 S CB -0.107 63.140 63.200 0.079 0.000 0.773 594 S HN 0.146 nan 8.310 nan 0.000 0.529 595 S N 1.009 116.742 115.700 0.054 0.000 2.572 595 S HA 0.253 4.728 4.470 0.009 0.000 0.228 595 S C 0.236 174.704 174.600 -0.221 0.000 0.963 595 S CA -0.197 57.983 58.200 -0.034 0.000 0.939 595 S CB 0.423 63.644 63.200 0.035 0.000 0.804 595 S HN 0.147 nan 8.310 nan 0.000 0.480 596 V N 2.587 122.310 119.914 -0.317 0.000 2.481 596 V HA 0.250 4.376 4.120 0.009 0.000 0.286 596 V C 0.135 175.727 176.094 -0.837 0.000 1.042 596 V CA -0.622 61.187 62.300 -0.818 0.000 0.928 596 V CB 1.453 32.600 31.823 -1.126 0.000 0.986 596 V HN 0.186 nan 8.190 nan 0.000 0.462 597 K N 4.791 124.679 120.400 -0.853 0.000 2.150 597 K HA 0.110 4.436 4.320 0.009 0.000 0.261 597 K C 0.170 176.461 176.600 -0.515 0.000 1.127 597 K CA 0.094 56.054 56.287 -0.545 0.000 0.989 597 K CB 0.177 32.399 32.500 -0.463 0.000 1.475 597 K HN 0.691 nan 8.250 nan 0.000 0.391 598 W N 0.833 121.967 121.300 -0.276 0.000 2.468 598 W HA -0.069 4.597 4.660 0.009 0.000 0.262 598 W C 1.910 178.230 176.519 -0.331 0.000 1.241 598 W CA 0.322 57.455 57.345 -0.354 0.000 1.232 598 W CB 0.099 29.221 29.460 -0.563 0.000 1.124 598 W HN 0.628 nan 8.180 nan 0.000 0.597 599 G N -0.309 108.439 108.800 -0.086 0.000 2.848 599 G HA2 -0.035 3.930 3.960 0.009 0.000 0.208 599 G HA3 -0.035 3.930 3.960 0.009 0.000 0.208 599 G C 0.415 175.252 174.900 -0.105 0.000 1.152 599 G CA -0.131 44.915 45.100 -0.091 0.000 0.789 599 G HN 0.198 nan 8.290 nan 0.000 0.531 600 Q N 0.021 119.728 119.800 -0.154 0.000 2.339 600 Q HA 0.202 4.548 4.340 0.009 0.000 0.268 600 Q C 0.481 176.374 176.000 -0.177 0.000 1.027 600 Q CA -0.665 55.042 55.803 -0.160 0.000 0.759 600 Q CB 1.802 30.423 28.738 -0.194 0.000 1.244 600 Q HN 0.075 nan 8.270 nan 0.000 0.464 601 Q N 2.652 122.361 119.800 -0.152 0.000 2.248 601 Q HA -0.232 4.113 4.340 0.009 0.000 0.208 601 Q C 0.567 176.402 176.000 -0.274 0.000 0.984 601 Q CA 1.877 57.559 55.803 -0.202 0.000 0.875 601 Q CB 0.411 28.976 28.738 -0.289 0.000 0.910 601 Q HN 0.706 nan 8.270 nan 0.000 0.433 602 E N -0.397 119.662 120.200 -0.236 0.000 2.112 602 E HA -0.101 4.254 4.350 0.009 0.000 0.190 602 E C 2.049 178.555 176.600 -0.158 0.000 0.979 602 E CA 0.485 56.768 56.400 -0.196 0.000 0.814 602 E CB 0.136 29.750 29.700 -0.143 0.000 0.762 602 E HN 0.303 nan 8.360 nan 0.000 0.460 603 I N 0.907 121.352 120.570 -0.207 0.000 2.202 603 I HA -0.194 3.982 4.170 0.009 0.000 0.242 603 I C 2.477 178.406 176.117 -0.314 0.000 1.091 603 I CA 0.909 62.047 61.300 -0.268 0.000 1.368 603 I CB -1.144 36.548 38.000 -0.513 0.000 1.058 603 I HN -0.029 nan 8.210 nan 0.000 0.410 604 V N 1.601 121.288 119.914 -0.379 0.000 2.380 604 V HA -0.312 3.814 4.120 0.009 0.000 0.251 604 V C 2.816 178.591 176.094 -0.530 0.000 1.063 604 V CA 1.925 63.959 62.300 -0.444 0.000 1.055 604 V CB -1.247 30.405 31.823 -0.285 0.000 0.657 604 V HN 0.476 nan 8.190 nan 0.000 0.455 605 A N -0.448 122.153 122.820 -0.365 0.000 1.873 605 A HA -0.215 4.111 4.320 0.009 0.000 0.215 605 A C 2.299 179.829 177.584 -0.090 0.000 1.186 605 A CA 1.851 53.725 52.037 -0.272 0.000 0.616 605 A CB -0.427 18.516 19.000 -0.094 0.000 0.823 605 A HN 0.533 nan 8.150 nan 0.000 0.442 606 K N -0.698 119.694 120.400 -0.014 0.000 2.103 606 K HA -0.109 4.217 4.320 0.009 0.000 0.207 606 K C 2.065 178.732 176.600 0.111 0.000 1.048 606 K CA 1.753 58.090 56.287 0.083 0.000 0.930 606 K CB -0.403 32.201 32.500 0.173 0.000 0.716 606 K HN 0.507 nan 8.250 nan 0.000 0.444 607 T N 0.554 115.189 114.554 0.134 0.000 2.746 607 T HA -0.162 4.194 4.350 0.009 0.000 0.267 607 T C 1.652 176.526 174.700 0.290 0.000 1.039 607 T CA 1.243 63.465 62.100 0.202 0.000 1.142 607 T CB -0.412 68.496 68.868 0.067 0.000 0.866 607 T HN 0.319 nan 8.240 nan 0.000 0.444 608 Y N 1.661 121.953 120.300 -0.014 0.000 2.274 608 Y HA -0.164 4.392 4.550 0.009 0.000 0.290 608 Y C 2.933 178.853 175.900 0.033 0.000 1.145 608 Y CA 0.427 58.519 58.100 -0.014 0.000 1.203 608 Y CB -0.250 38.148 38.460 -0.104 0.000 0.984 608 Y HN 0.329 nan 8.280 nan 0.000 0.533 609 Q N 0.091 120.014 119.800 0.206 0.000 2.224 609 Q HA -0.171 4.175 4.340 0.009 0.000 0.203 609 Q C 2.255 178.338 176.000 0.138 0.000 0.970 609 Q CA 0.945 56.842 55.803 0.158 0.000 0.865 609 Q CB -0.050 28.772 28.738 0.141 0.000 0.922 609 Q HN 0.573 nan 8.270 nan 0.000 0.445 610 L N 0.351 121.629 121.223 0.091 0.000 1.988 610 L HA -0.177 4.168 4.340 0.009 0.000 0.207 610 L C 2.191 179.116 176.870 0.091 0.000 1.071 610 L CA 1.055 55.913 54.840 0.030 0.000 0.744 610 L CB -0.354 41.671 42.059 -0.057 0.000 0.893 610 L HN 0.285 nan 8.230 nan 0.000 0.433 611 L N -0.391 120.889 121.223 0.094 0.000 2.447 611 L HA -0.196 4.150 4.340 0.009 0.000 0.225 611 L C 2.550 179.459 176.870 0.065 0.000 1.148 611 L CA 0.719 55.589 54.840 0.050 0.000 0.808 611 L CB -0.658 41.366 42.059 -0.058 0.000 0.928 611 L HN 0.277 nan 8.230 nan 0.000 0.448 612 A N -0.239 122.635 122.820 0.089 0.000 2.021 612 A HA -0.030 4.295 4.320 0.009 0.000 0.216 612 A C 1.779 179.428 177.584 0.109 0.000 1.163 612 A CA 0.432 52.524 52.037 0.093 0.000 0.676 612 A CB -0.115 18.946 19.000 0.103 0.000 0.818 612 A HN 0.285 nan 8.150 nan 0.000 0.453 613 R N 0.379 120.959 120.500 0.133 0.000 4.394 613 R HA 0.157 4.502 4.340 0.009 0.000 0.257 613 R C -0.026 176.375 176.300 0.168 0.000 1.727 613 R CA -0.152 56.035 56.100 0.145 0.000 1.497 613 R CB -0.201 30.206 30.300 0.178 0.000 1.406 613 R HN 0.231 nan 8.270 nan 0.000 0.745 614 R N 1.322 121.921 120.500 0.166 0.000 3.235 614 R HA 0.050 4.396 4.340 0.009 0.000 0.232 614 R C 0.020 176.450 176.300 0.217 0.000 1.475 614 R CA 0.125 56.361 56.100 0.227 0.000 1.405 614 R CB 0.233 30.658 30.300 0.209 0.000 1.266 614 R HN 0.417 nan 8.270 nan 0.000 0.650 615 E N 0.462 120.781 120.200 0.199 0.000 2.354 615 E HA -0.035 4.320 4.350 0.009 0.000 0.203 615 E C 1.548 178.220 176.600 0.120 0.000 0.841 615 E CA 0.241 56.723 56.400 0.137 0.000 1.046 615 E CB 0.391 30.150 29.700 0.097 0.000 1.040 615 E HN 0.204 nan 8.360 nan 0.000 0.504 616 V N 2.087 122.088 119.914 0.145 0.000 2.343 616 V HA -0.239 3.886 4.120 0.009 0.000 0.247 616 V C 1.991 178.134 176.094 0.082 0.000 1.051 616 V CA 1.754 64.112 62.300 0.096 0.000 1.036 616 V CB -0.578 31.311 31.823 0.111 0.000 0.654 616 V HN 0.511 nan 8.190 nan 0.000 0.451 617 W N 1.332 122.624 121.300 -0.013 0.000 2.354 617 W HA -0.192 4.474 4.660 0.009 0.000 0.315 617 W C 2.123 178.606 176.519 -0.061 0.000 1.206 617 W CA 2.064 59.345 57.345 -0.107 0.000 1.290 617 W CB -0.344 29.096 29.460 -0.033 0.000 1.152 617 W HN 0.329 nan 8.180 nan 0.000 0.489 618 D N 0.044 120.519 120.400 0.125 0.000 2.218 618 D HA -0.181 4.464 4.640 0.009 0.000 0.204 618 D C 1.986 178.232 176.300 -0.090 0.000 0.976 618 D CA 1.487 55.499 54.000 0.020 0.000 0.853 618 D CB -0.401 40.469 40.800 0.117 0.000 0.939 618 D HN 0.435 nan 8.370 nan 0.000 0.481 619 Q N 0.042 119.794 119.800 -0.079 0.000 2.356 619 Q HA 0.072 4.417 4.340 0.009 0.000 0.205 619 Q C 0.444 176.357 176.000 -0.145 0.000 0.901 619 Q CA -0.157 55.594 55.803 -0.087 0.000 0.938 619 Q CB 0.524 29.237 28.738 -0.043 0.000 1.081 619 Q HN 0.122 nan 8.270 nan 0.000 0.517 620 S N 0.366 115.924 115.700 -0.236 0.000 2.572 620 S HA 0.436 4.911 4.470 0.009 0.000 0.279 620 S C 0.243 174.673 174.600 -0.284 0.000 1.341 620 S CA -0.664 57.367 58.200 -0.281 0.000 1.043 620 S CB 1.208 64.157 63.200 -0.418 0.000 0.887 620 S HN 0.233 nan 8.310 nan 0.000 0.516 621 A N 2.939 125.630 122.820 -0.215 0.000 2.492 621 A HA 0.400 4.726 4.320 0.009 0.000 0.254 621 A C 0.278 177.730 177.584 -0.220 0.000 1.091 621 A CA -0.650 51.281 52.037 -0.177 0.000 0.768 621 A CB -0.329 18.598 19.000 -0.122 0.000 1.028 621 A HN 1.163 nan 8.150 nan 0.000 0.498 622 L N 2.431 123.534 121.223 -0.200 0.000 2.667 622 L HA 0.054 4.399 4.340 0.009 0.000 0.278 622 L C -0.256 176.512 176.870 -0.169 0.000 1.217 622 L CA 0.834 55.549 54.840 -0.208 0.000 0.935 622 L CB -0.040 41.937 42.059 -0.136 0.000 1.193 622 L HN 0.643 nan 8.230 nan 0.000 0.493 623 D N 4.098 124.378 120.400 -0.200 0.000 2.454 623 D HA 0.179 4.825 4.640 0.009 0.000 0.247 623 D C 0.896 177.119 176.300 -0.128 0.000 1.129 623 D CA -0.386 53.533 54.000 -0.135 0.000 0.877 623 D CB 1.411 42.136 40.800 -0.126 0.000 1.082 623 D HN 0.394 nan 8.370 nan 0.000 0.537 624 V N 3.687 123.516 119.914 -0.141 0.000 2.343 624 V HA -0.109 4.016 4.120 0.009 0.000 0.247 624 V C 2.478 178.456 176.094 -0.193 0.000 1.051 624 V CA 2.225 64.381 62.300 -0.240 0.000 1.036 624 V CB -0.580 30.970 31.823 -0.455 0.000 0.654 624 V HN 0.675 nan 8.190 nan 0.000 0.451 625 G N -0.026 108.708 108.800 -0.110 0.000 2.446 625 G HA2 -0.272 3.693 3.960 0.009 0.000 0.217 625 G HA3 -0.272 3.693 3.960 0.009 0.000 0.217 625 G C 1.592 176.478 174.900 -0.023 0.000 1.168 625 G CA 1.225 46.294 45.100 -0.052 0.000 0.771 625 G HN 0.448 nan 8.290 nan 0.000 0.551 626 L N 0.920 122.138 121.223 -0.009 0.000 2.046 626 L HA -0.006 4.339 4.340 0.009 0.000 0.208 626 L C 2.877 179.788 176.870 0.068 0.000 1.077 626 L CA 2.617 57.485 54.840 0.046 0.000 0.747 626 L CB -0.943 41.150 42.059 0.057 0.000 0.896 626 L HN 0.184 nan 8.230 nan 0.000 0.432 627 T N -0.394 114.176 114.554 0.026 0.000 2.788 627 T HA -0.143 4.212 4.350 0.009 0.000 0.268 627 T C 1.918 176.600 174.700 -0.030 0.000 1.044 627 T CA 1.561 63.680 62.100 0.031 0.000 1.139 627 T CB -0.166 68.676 68.868 -0.044 0.000 0.867 627 T HN 0.216 nan 8.240 nan 0.000 0.454 628 M N 1.349 120.916 119.600 -0.055 0.000 2.175 628 M HA -0.032 4.454 4.480 0.009 0.000 0.264 628 M C 2.291 178.583 176.300 -0.014 0.000 1.063 628 M CA 1.357 56.633 55.300 -0.041 0.000 1.119 628 M CB -1.061 31.509 32.600 -0.050 0.000 1.377 628 M HN 0.388 nan 8.290 nan 0.000 0.415 629 Q N 0.023 119.819 119.800 -0.006 0.000 2.226 629 Q HA -0.081 4.265 4.340 0.009 0.000 0.204 629 Q C 1.910 177.869 176.000 -0.069 0.000 0.975 629 Q CA 0.953 56.772 55.803 0.027 0.000 0.866 629 Q CB -0.230 28.548 28.738 0.068 0.000 0.915 629 Q HN 0.495 nan 8.270 nan 0.000 0.440 630 L N 0.113 121.194 121.223 -0.237 0.000 2.554 630 L HA -0.008 4.337 4.340 0.009 0.000 0.226 630 L C 1.543 178.248 176.870 -0.276 0.000 1.137 630 L CA 0.331 54.822 54.840 -0.581 0.000 0.863 630 L CB 0.102 41.903 42.059 -0.430 0.000 0.985 630 L HN 0.220 nan 8.230 nan 0.000 0.451 631 L N -0.683 120.496 121.223 -0.073 0.000 2.693 631 L HA 0.114 4.459 4.340 0.009 0.000 0.235 631 L C 0.604 177.536 176.870 0.102 0.000 1.127 631 L CA -0.409 54.449 54.840 0.030 0.000 0.914 631 L CB -0.102 41.981 42.059 0.040 0.000 1.193 631 L HN 0.275 nan 8.230 nan 0.000 0.502 632 D N -0.856 119.550 120.400 0.010 0.000 2.469 632 D HA -0.037 4.609 4.640 0.009 0.000 0.278 632 D C 1.497 177.433 176.300 -0.607 0.000 1.231 632 D CA -0.204 53.562 54.000 -0.391 0.000 1.075 632 D CB 0.243 40.855 40.800 -0.313 0.000 1.121 632 D HN 0.133 nan 8.370 nan 0.000 0.571 633 C N -1.669 116.979 119.300 -1.087 0.000 2.437 633 C HA 0.094 4.559 4.460 0.009 0.000 0.283 633 C C 1.311 176.094 174.990 -0.345 0.000 1.424 633 C CA -0.003 58.602 59.018 -0.687 0.000 1.782 633 C CB -1.881 25.526 27.740 -0.555 0.000 1.833 633 C HN 0.497 nan 8.230 nan 0.000 0.532 634 N N -0.292 118.198 118.700 -0.350 0.000 2.383 634 N HA 0.240 4.985 4.740 0.009 0.000 0.192 634 N C -0.736 174.239 175.510 -0.892 0.000 1.141 634 N CA 0.351 53.072 53.050 -0.548 0.000 0.851 634 N CB -0.046 38.066 38.487 -0.625 0.000 0.976 634 N HN 0.559 nan 8.380 nan 0.000 0.465 635 F N -0.877 118.955 119.950 -0.195 0.000 2.553 635 F HA 0.374 4.906 4.527 0.009 0.000 0.335 635 F C 0.641 176.244 175.800 -0.329 0.000 1.148 635 F CA -0.810 57.051 58.000 -0.232 0.000 0.963 635 F CB 1.920 40.837 39.000 -0.137 0.000 1.217 635 F HN -0.175 nan 8.300 nan 0.000 0.441 636 S N 0.277 115.712 115.700 -0.443 0.000 2.523 636 S HA -0.011 4.465 4.470 0.009 0.000 0.217 636 S C -0.029 174.314 174.600 -0.428 0.000 0.996 636 S CA -0.239 57.631 58.200 -0.550 0.000 0.921 636 S CB -0.148 62.449 63.200 -1.005 0.000 0.829 636 S HN 0.702 nan 8.310 nan 0.000 0.495 637 D N 1.661 121.818 120.400 -0.406 0.000 2.351 637 D HA 0.121 4.766 4.640 0.009 0.000 0.251 637 D C 0.893 177.138 176.300 -0.091 0.000 1.137 637 D CA 0.138 54.000 54.000 -0.230 0.000 0.879 637 D CB 0.762 41.305 40.800 -0.429 0.000 1.181 637 D HN 0.094 nan 8.370 nan 0.000 0.448 638 E N 2.063 122.264 120.200 0.002 0.000 2.285 638 E HA -0.107 4.248 4.350 0.009 0.000 0.194 638 E C 0.977 177.551 176.600 -0.044 0.000 0.997 638 E CA 0.293 56.698 56.400 0.007 0.000 0.845 638 E CB 0.192 29.932 29.700 0.067 0.000 0.782 638 E HN 0.464 nan 8.360 nan 0.000 0.491 639 N N 0.453 119.098 118.700 -0.091 0.000 2.173 639 N HA -0.091 4.654 4.740 0.009 0.000 0.184 639 N C 2.015 177.387 175.510 -0.230 0.000 1.025 639 N CA 0.638 53.568 53.050 -0.199 0.000 0.852 639 N CB -0.402 37.824 38.487 -0.435 0.000 0.998 639 N HN -0.036 nan 8.380 nan 0.000 0.427 640 V N 2.174 121.938 119.914 -0.251 0.000 2.219 640 V HA -0.267 3.858 4.120 0.009 0.000 0.248 640 V C 2.316 178.227 176.094 -0.304 0.000 1.053 640 V CA 1.761 63.824 62.300 -0.396 0.000 1.009 640 V CB -0.475 31.140 31.823 -0.347 0.000 0.636 640 V HN 0.301 nan 8.190 nan 0.000 0.445 641 R N 0.010 120.394 120.500 -0.195 0.000 2.127 641 R HA -0.137 4.208 4.340 0.009 0.000 0.238 641 R C 2.304 178.543 176.300 -0.102 0.000 1.134 641 R CA 1.374 57.391 56.100 -0.138 0.000 0.975 641 R CB -0.568 29.692 30.300 -0.067 0.000 0.865 641 R HN 0.577 nan 8.270 nan 0.000 0.447 642 A N 1.706 124.470 122.820 -0.094 0.000 1.968 642 A HA -0.092 4.234 4.320 0.009 0.000 0.217 642 A C 2.147 179.708 177.584 -0.039 0.000 1.169 642 A CA 1.072 53.078 52.037 -0.053 0.000 0.638 642 A CB -0.518 18.457 19.000 -0.041 0.000 0.812 642 A HN 0.485 nan 8.150 nan 0.000 0.446 643 I N -3.586 116.936 120.570 -0.079 0.000 3.111 643 I HA 0.124 4.300 4.170 0.009 0.000 0.272 643 I C 2.046 178.267 176.117 0.173 0.000 1.268 643 I CA 1.028 62.335 61.300 0.012 0.000 1.467 643 I CB -0.147 37.722 38.000 -0.218 0.000 1.087 643 I HN 0.144 nan 8.210 nan 0.000 0.467 644 A N 1.548 124.392 122.820 0.039 0.000 1.855 644 A HA -0.000 4.325 4.320 0.009 0.000 0.213 644 A C 2.316 179.892 177.584 -0.014 0.000 1.195 644 A CA 1.629 53.715 52.037 0.082 0.000 0.610 644 A CB -0.994 17.986 19.000 -0.034 0.000 0.837 644 A HN 0.294 nan 8.150 nan 0.000 0.444 645 V N 0.695 120.555 119.914 -0.090 0.000 2.490 645 V HA -0.304 3.822 4.120 0.009 0.000 0.250 645 V C 2.708 178.684 176.094 -0.196 0.000 1.061 645 V CA 2.189 64.350 62.300 -0.232 0.000 1.064 645 V CB -0.862 30.861 31.823 -0.167 0.000 0.670 645 V HN 0.732 nan 8.190 nan 0.000 0.461 646 Q N 0.060 119.840 119.800 -0.034 0.000 2.096 646 Q HA -0.261 4.084 4.340 0.009 0.000 0.204 646 Q C 2.258 178.259 176.000 0.001 0.000 0.982 646 Q CA 1.483 57.300 55.803 0.024 0.000 0.850 646 Q CB -0.055 28.744 28.738 0.102 0.000 0.901 646 Q HN 0.415 nan 8.270 nan 0.000 0.422 647 K N 0.537 120.943 120.400 0.010 0.000 2.283 647 K HA -0.040 4.285 4.320 0.009 0.000 0.202 647 K C 2.060 178.593 176.600 -0.111 0.000 1.048 647 K CA 0.566 56.806 56.287 -0.077 0.000 0.948 647 K CB -0.159 32.271 32.500 -0.116 0.000 0.742 647 K HN 0.331 nan 8.250 nan 0.000 0.458 648 L N 0.177 121.287 121.223 -0.188 0.000 2.291 648 L HA -0.091 4.254 4.340 0.009 0.000 0.214 648 L C 1.845 178.681 176.870 -0.056 0.000 1.120 648 L CA 0.627 55.315 54.840 -0.254 0.000 0.799 648 L CB -0.234 41.422 42.059 -0.672 0.000 0.925 648 L HN 0.054 nan 8.230 nan 0.000 0.446 649 E N 0.170 120.374 120.200 0.008 0.000 2.209 649 E HA -0.197 4.158 4.350 0.009 0.000 0.196 649 E C 2.200 178.901 176.600 0.168 0.000 0.993 649 E CA 1.410 57.949 56.400 0.230 0.000 0.819 649 E CB 0.011 29.813 29.700 0.171 0.000 0.745 649 E HN 0.469 nan 8.360 nan 0.000 0.477 650 S N -0.322 115.427 115.700 0.082 0.000 2.561 650 S HA 0.023 4.498 4.470 0.009 0.000 0.225 650 S C 0.771 175.421 174.600 0.083 0.000 0.977 650 S CA -0.172 58.064 58.200 0.060 0.000 0.926 650 S CB -0.250 62.953 63.200 0.005 0.000 0.769 650 S HN 0.084 nan 8.310 nan 0.000 0.533 651 L N 3.029 124.327 121.223 0.126 0.000 2.490 651 L HA 0.129 4.474 4.340 0.009 0.000 0.274 651 L C 0.820 177.785 176.870 0.159 0.000 1.201 651 L CA -0.142 54.792 54.840 0.158 0.000 0.869 651 L CB 0.244 42.443 42.059 0.235 0.000 1.123 651 L HN 0.509 nan 8.230 nan 0.000 0.484 652 E N 1.828 122.112 120.200 0.141 0.000 2.319 652 E HA 0.077 4.433 4.350 0.009 0.000 0.268 652 E C -0.213 176.480 176.600 0.156 0.000 1.050 652 E CA -0.866 55.612 56.400 0.130 0.000 0.878 652 E CB 1.004 30.769 29.700 0.108 0.000 1.066 652 E HN 0.471 nan 8.360 nan 0.000 0.406 653 D N 1.708 122.190 120.400 0.137 0.000 2.191 653 D HA -0.243 4.402 4.640 0.009 0.000 0.195 653 D C 1.247 177.644 176.300 0.162 0.000 1.003 653 D CA 1.882 55.959 54.000 0.128 0.000 0.867 653 D CB -0.264 40.602 40.800 0.109 0.000 0.926 653 D HN 0.674 nan 8.370 nan 0.000 0.450 654 D N 0.008 120.544 120.400 0.225 0.000 2.178 654 D HA -0.128 4.517 4.640 0.009 0.000 0.201 654 D C 1.383 177.885 176.300 0.336 0.000 0.980 654 D CA 0.944 55.136 54.000 0.321 0.000 0.842 654 D CB 0.084 41.091 40.800 0.344 0.000 0.948 654 D HN -0.004 nan 8.370 nan 0.000 0.472 655 D N -0.966 119.608 120.400 0.290 0.000 2.213 655 D HA -0.040 4.606 4.640 0.009 0.000 0.205 655 D C 2.227 178.726 176.300 0.332 0.000 0.961 655 D CA 0.260 54.454 54.000 0.324 0.000 0.853 655 D CB 0.094 41.056 40.800 0.269 0.000 0.967 655 D HN 0.102 nan 8.370 nan 0.000 0.496 656 V N 1.253 121.333 119.914 0.277 0.000 2.332 656 V HA -0.231 3.895 4.120 0.009 0.000 0.248 656 V C 2.650 178.852 176.094 0.181 0.000 1.055 656 V CA 1.152 63.614 62.300 0.270 0.000 1.038 656 V CB -0.458 31.483 31.823 0.195 0.000 0.651 656 V HN 0.205 nan 8.190 nan 0.000 0.450 657 L N -0.863 120.412 121.223 0.087 0.000 2.079 657 L HA -0.252 4.093 4.340 0.009 0.000 0.210 657 L C 2.466 179.259 176.870 -0.129 0.000 1.081 657 L CA 1.843 56.655 54.840 -0.046 0.000 0.752 657 L CB -0.734 41.247 42.059 -0.131 0.000 0.896 657 L HN 0.415 nan 8.230 nan 0.000 0.433 658 H N -2.165 116.823 119.070 -0.137 0.000 2.421 658 H HA -0.139 4.423 4.556 0.009 0.000 0.298 658 H C 0.942 175.960 175.328 -0.518 0.000 1.087 658 H CA 1.705 57.513 56.048 -0.400 0.000 1.330 658 H CB 0.135 29.510 29.762 -0.646 0.000 1.388 658 H HN 0.344 nan 8.280 nan 0.000 0.526 659 Y N -1.566 118.819 120.300 0.142 0.000 2.557 659 Y HA 0.080 4.635 4.550 0.009 0.000 0.247 659 Y C 1.436 177.388 175.900 0.087 0.000 1.164 659 Y CA -0.485 57.670 58.100 0.092 0.000 1.218 659 Y CB 0.556 39.075 38.460 0.097 0.000 1.210 659 Y HN 0.084 nan 8.280 nan 0.000 0.529 660 L N 0.377 121.721 121.223 0.202 0.000 1.970 660 L HA -0.226 4.119 4.340 0.009 0.000 0.212 660 L C 2.236 179.212 176.870 0.176 0.000 1.071 660 L CA 1.703 56.683 54.840 0.233 0.000 0.751 660 L CB -0.890 41.337 42.059 0.281 0.000 0.889 660 L HN 0.323 nan 8.230 nan 0.000 0.432 661 L N -0.339 120.892 121.223 0.012 0.000 2.013 661 L HA -0.279 4.067 4.340 0.009 0.000 0.212 661 L C 2.478 179.238 176.870 -0.184 0.000 1.073 661 L CA 1.980 56.590 54.840 -0.384 0.000 0.753 661 L CB -0.943 40.722 42.059 -0.657 0.000 0.890 661 L HN 0.509 nan 8.230 nan 0.000 0.432 662 Q N -1.109 118.660 119.800 -0.053 0.000 2.245 662 Q HA -0.093 4.252 4.340 0.009 0.000 0.201 662 Q C 2.322 178.347 176.000 0.041 0.000 0.955 662 Q CA 1.124 56.925 55.803 -0.004 0.000 0.870 662 Q CB -0.028 28.746 28.738 0.059 0.000 0.945 662 Q HN 0.543 nan 8.270 nan 0.000 0.461 663 L N -0.009 121.269 121.223 0.092 0.000 2.056 663 L HA -0.143 4.202 4.340 0.009 0.000 0.207 663 L C 2.368 179.296 176.870 0.096 0.000 1.078 663 L CA 0.705 55.617 54.840 0.119 0.000 0.749 663 L CB -0.401 41.776 42.059 0.197 0.000 0.901 663 L HN 0.046 nan 8.230 nan 0.000 0.433 664 V N -0.486 119.475 119.914 0.078 0.000 2.343 664 V HA -0.279 3.847 4.120 0.009 0.000 0.247 664 V C 2.574 178.679 176.094 0.018 0.000 1.051 664 V CA 1.485 63.820 62.300 0.059 0.000 1.036 664 V CB -0.516 31.317 31.823 0.016 0.000 0.654 664 V HN 0.491 nan 8.190 nan 0.000 0.451 665 Q N -0.013 119.743 119.800 -0.074 0.000 2.170 665 Q HA -0.106 4.240 4.340 0.009 0.000 0.203 665 Q C 2.336 178.190 176.000 -0.244 0.000 0.976 665 Q CA 1.784 57.500 55.803 -0.145 0.000 0.858 665 Q CB -0.688 27.953 28.738 -0.162 0.000 0.907 665 Q HN 0.663 nan 8.270 nan 0.000 0.433 666 A N 0.360 123.113 122.820 -0.113 0.000 2.168 666 A HA -0.024 4.301 4.320 0.009 0.000 0.215 666 A C 2.289 179.797 177.584 -0.126 0.000 1.152 666 A CA 0.586 52.579 52.037 -0.073 0.000 0.716 666 A CB -0.311 18.771 19.000 0.136 0.000 0.794 666 A HN 0.183 nan 8.150 nan 0.000 0.465 667 V N 0.225 120.075 119.914 -0.107 0.000 2.594 667 V HA -0.265 3.860 4.120 0.009 0.000 0.253 667 V C 2.248 178.129 176.094 -0.356 0.000 1.069 667 V CA 2.183 64.412 62.300 -0.118 0.000 1.082 667 V CB -0.638 31.192 31.823 0.012 0.000 0.680 667 V HN 0.582 nan 8.190 nan 0.000 0.469 668 K N -0.288 119.725 120.400 -0.645 0.000 2.280 668 K HA -0.105 4.220 4.320 0.009 0.000 0.202 668 K C 1.665 177.906 176.600 -0.599 0.000 1.047 668 K CA 1.454 57.102 56.287 -1.066 0.000 0.942 668 K CB -0.250 31.416 32.500 -1.390 0.000 0.739 668 K HN 0.511 nan 8.250 nan 0.000 0.457 669 F N 1.353 121.192 119.950 -0.185 0.000 2.765 669 F HA 0.066 4.598 4.527 0.009 0.000 0.302 669 F C 0.602 176.338 175.800 -0.106 0.000 1.111 669 F CA -0.428 57.506 58.000 -0.111 0.000 1.359 669 F CB 0.273 39.230 39.000 -0.071 0.000 1.097 669 F HN -0.179 nan 8.300 nan 0.000 0.577 670 E N 1.790 121.997 120.200 0.011 0.000 2.344 670 E HA 0.048 4.403 4.350 0.009 0.000 0.270 670 E C -1.634 174.913 176.600 -0.088 0.000 1.021 670 E CA -1.524 54.866 56.400 -0.017 0.000 0.887 670 E CB 0.786 30.481 29.700 -0.009 0.000 0.997 670 E HN 0.072 nan 8.360 nan 0.000 0.429 671 P HA -0.108 nan 4.420 nan 0.000 0.215 671 P C -0.230 176.744 177.300 -0.543 0.000 1.157 671 P CA 1.391 64.255 63.100 -0.393 0.000 0.863 671 P CB 0.119 31.512 31.700 -0.512 0.000 0.787 672 Y N -2.366 117.853 120.300 -0.135 0.000 2.457 672 Y HA 0.235 4.790 4.550 0.009 0.000 0.333 672 Y C 2.169 177.989 175.900 -0.134 0.000 1.119 672 Y CA -0.731 57.261 58.100 -0.180 0.000 1.143 672 Y CB 0.607 39.018 38.460 -0.082 0.000 1.230 672 Y HN -0.052 nan 8.280 nan 0.000 0.469 673 H N -0.155 119.002 119.070 0.145 0.000 2.319 673 H HA -0.137 4.425 4.556 0.009 0.000 0.299 673 H C 0.218 175.588 175.328 0.070 0.000 1.092 673 H CA 1.538 57.619 56.048 0.054 0.000 1.302 673 H CB -0.060 29.714 29.762 0.020 0.000 1.373 673 H HN 0.552 nan 8.280 nan 0.000 0.497 674 D N 1.748 122.288 120.400 0.232 0.000 2.453 674 D HA 0.096 4.741 4.640 0.009 0.000 0.223 674 D C -0.302 176.086 176.300 0.146 0.000 1.183 674 D CA -0.185 53.912 54.000 0.162 0.000 0.933 674 D CB 0.115 41.007 40.800 0.153 0.000 1.038 674 D HN 0.243 nan 8.370 nan 0.000 0.513 675 S N 1.258 117.034 115.700 0.127 0.000 2.664 675 S HA 0.690 5.165 4.470 0.009 0.000 0.304 675 S C 1.330 175.993 174.600 0.105 0.000 1.099 675 S CA -0.402 57.865 58.200 0.112 0.000 1.003 675 S CB 1.756 65.015 63.200 0.099 0.000 1.092 675 S HN 0.227 nan 8.310 nan 0.000 0.525 676 A N 0.510 123.385 122.820 0.092 0.000 1.933 676 A HA -0.018 4.307 4.320 0.009 0.000 0.218 676 A C 1.973 179.635 177.584 0.131 0.000 1.175 676 A CA 1.508 53.604 52.037 0.098 0.000 0.628 676 A CB -1.029 18.011 19.000 0.066 0.000 0.814 676 A HN 0.888 nan 8.150 nan 0.000 0.444 677 L N -0.134 121.153 121.223 0.107 0.000 2.012 677 L HA -0.114 4.232 4.340 0.009 0.000 0.210 677 L C 2.695 179.689 176.870 0.206 0.000 1.073 677 L CA 2.292 57.215 54.840 0.139 0.000 0.748 677 L CB -0.880 41.233 42.059 0.090 0.000 0.891 677 L HN 0.351 nan 8.230 nan 0.000 0.431 678 A N -0.448 122.463 122.820 0.151 0.000 1.883 678 A HA -0.246 4.079 4.320 0.009 0.000 0.217 678 A C 2.420 180.092 177.584 0.146 0.000 1.186 678 A CA 1.957 54.079 52.037 0.142 0.000 0.624 678 A CB -0.601 18.466 19.000 0.111 0.000 0.822 678 A HN 0.511 nan 8.150 nan 0.000 0.444 679 R N -2.011 118.577 120.500 0.145 0.000 2.120 679 R HA -0.123 4.223 4.340 0.009 0.000 0.234 679 R C 1.970 178.363 176.300 0.156 0.000 1.123 679 R CA 1.563 57.741 56.100 0.130 0.000 0.975 679 R CB -0.464 29.908 30.300 0.120 0.000 0.866 679 R HN 0.643 nan 8.270 nan 0.000 0.446 680 F N 1.358 121.345 119.950 0.061 0.000 2.113 680 F HA -0.123 4.410 4.527 0.009 0.000 0.297 680 F C 1.795 177.636 175.800 0.067 0.000 1.103 680 F CA 1.322 59.360 58.000 0.063 0.000 1.248 680 F CB -0.226 38.811 39.000 0.061 0.000 0.999 680 F HN -0.124 nan 8.300 nan 0.000 0.475 681 L N -0.146 121.124 121.223 0.078 0.000 1.989 681 L HA -0.240 4.106 4.340 0.009 0.000 0.211 681 L C 2.524 179.341 176.870 -0.087 0.000 1.071 681 L CA 1.421 56.242 54.840 -0.032 0.000 0.749 681 L CB -1.090 41.029 42.059 0.101 0.000 0.890 681 L HN 0.320 nan 8.230 nan 0.000 0.431 682 L N 0.053 121.276 121.223 -0.000 0.000 2.013 682 L HA -0.243 4.103 4.340 0.009 0.000 0.212 682 L C 2.535 179.421 176.870 0.027 0.000 1.073 682 L CA 1.893 56.759 54.840 0.044 0.000 0.753 682 L CB -0.547 41.560 42.059 0.081 0.000 0.890 682 L HN 0.107 nan 8.230 nan 0.000 0.432 683 K N -1.031 119.347 120.400 -0.037 0.000 2.097 683 K HA -0.087 4.238 4.320 0.009 0.000 0.205 683 K C 2.055 178.601 176.600 -0.091 0.000 1.050 683 K CA 0.973 57.231 56.287 -0.048 0.000 0.938 683 K CB -0.095 32.378 32.500 -0.045 0.000 0.718 683 K HN 0.264 nan 8.250 nan 0.000 0.442 684 R N -0.159 120.205 120.500 -0.227 0.000 2.193 684 R HA 0.004 4.349 4.340 0.009 0.000 0.213 684 R C 2.177 178.436 176.300 -0.067 0.000 1.055 684 R CA 0.842 56.815 56.100 -0.211 0.000 0.995 684 R CB -0.582 29.454 30.300 -0.439 0.000 0.893 684 R HN 0.305 nan 8.270 nan 0.000 0.459 685 G N 0.494 109.267 108.800 -0.045 0.000 2.430 685 G HA2 -0.109 3.856 3.960 0.009 0.000 0.216 685 G HA3 -0.109 3.856 3.960 0.009 0.000 0.216 685 G C 1.481 176.556 174.900 0.291 0.000 1.146 685 G CA -0.049 45.054 45.100 0.004 0.000 0.793 685 G HN 0.172 nan 8.290 nan 0.000 0.537 686 L N -0.365 121.023 121.223 0.274 0.000 2.313 686 L HA 0.163 4.508 4.340 0.009 0.000 0.214 686 L C 2.767 179.716 176.870 0.131 0.000 1.119 686 L CA 0.446 55.427 54.840 0.235 0.000 0.809 686 L CB -0.136 41.980 42.059 0.093 0.000 0.933 686 L HN 0.171 nan 8.230 nan 0.000 0.449 687 R N 0.193 120.768 120.500 0.126 0.000 2.161 687 R HA -0.018 4.327 4.340 0.009 0.000 0.213 687 R C 0.576 177.047 176.300 0.285 0.000 1.055 687 R CA 0.518 56.689 56.100 0.119 0.000 0.996 687 R CB 0.358 30.692 30.300 0.057 0.000 0.901 687 R HN 0.205 nan 8.270 nan 0.000 0.456 688 N N 0.308 119.178 118.700 0.283 0.000 2.454 688 N HA 0.068 4.814 4.740 0.009 0.000 0.291 688 N C -0.527 175.064 175.510 0.136 0.000 1.079 688 N CA -0.267 52.911 53.050 0.212 0.000 0.893 688 N CB 1.789 40.343 38.487 0.112 0.000 1.512 688 N HN -0.065 nan 8.380 nan 0.000 0.497 689 K N 1.707 122.083 120.400 -0.041 0.000 2.152 689 K HA -0.121 4.204 4.320 0.009 0.000 0.206 689 K C 1.706 178.220 176.600 -0.144 0.000 1.048 689 K CA 1.059 57.243 56.287 -0.170 0.000 0.933 689 K CB 0.313 32.504 32.500 -0.515 0.000 0.721 689 K HN 0.494 nan 8.250 nan 0.000 0.447 690 R N 1.151 121.545 120.500 -0.177 0.000 2.062 690 R HA -0.039 4.306 4.340 0.009 0.000 0.229 690 R C 2.246 178.555 176.300 0.015 0.000 1.128 690 R CA 1.017 57.016 56.100 -0.168 0.000 0.960 690 R CB -0.181 29.958 30.300 -0.268 0.000 0.855 690 R HN 0.095 nan 8.270 nan 0.000 0.432 691 I N 0.387 120.964 120.570 0.012 0.000 2.151 691 I HA -0.238 3.937 4.170 0.009 0.000 0.243 691 I C 2.490 178.600 176.117 -0.012 0.000 1.080 691 I CA 1.622 62.945 61.300 0.038 0.000 1.339 691 I CB -0.738 37.266 38.000 0.006 0.000 1.039 691 I HN 0.420 nan 8.210 nan 0.000 0.409 692 G N -0.186 108.611 108.800 -0.005 0.000 2.469 692 G HA2 -0.376 3.589 3.960 0.009 0.000 0.219 692 G HA3 -0.376 3.589 3.960 0.009 0.000 0.219 692 G C 1.477 176.338 174.900 -0.064 0.000 1.150 692 G CA 1.550 46.588 45.100 -0.103 0.000 0.763 692 G HN 0.495 nan 8.290 nan 0.000 0.561 693 H N -0.241 118.822 119.070 -0.011 0.000 2.319 693 H HA -0.020 4.541 4.556 0.008 0.000 0.299 693 H C 2.197 177.438 175.328 -0.144 0.000 1.092 693 H CA 1.820 57.876 56.048 0.012 0.000 1.302 693 H CB -0.330 29.290 29.762 -0.236 0.000 1.373 693 H HN 0.382 nan 8.280 nan 0.000 0.497 694 F N -0.694 119.163 119.950 -0.154 0.000 2.259 694 F HA -0.073 4.460 4.527 0.010 0.000 0.298 694 F C 2.324 177.608 175.800 -0.860 0.000 1.088 694 F CA 0.491 58.131 58.000 -0.600 0.000 1.358 694 F CB -0.239 38.383 39.000 -0.630 0.000 1.040 694 F HN 0.220 nan 8.300 nan 0.000 0.505 695 L N -0.164 120.846 121.223 -0.355 0.000 2.013 695 L HA -0.259 4.086 4.340 0.009 0.000 0.212 695 L C 2.223 178.861 176.870 -0.386 0.000 1.073 695 L CA 1.719 56.358 54.840 -0.335 0.000 0.753 695 L CB -1.098 40.707 42.059 -0.423 0.000 0.890 695 L HN 0.187 nan 8.230 nan 0.000 0.432 696 F N -1.003 118.560 119.950 -0.644 0.000 2.069 696 F HA -0.277 4.255 4.527 0.009 0.000 0.298 696 F C 1.859 177.250 175.800 -0.683 0.000 1.113 696 F CA 2.041 59.578 58.000 -0.770 0.000 1.214 696 F CB -0.642 37.618 39.000 -1.233 0.000 0.978 696 F HN 0.135 nan 8.300 nan 0.000 0.474 697 W N -1.080 119.960 121.300 -0.434 0.000 2.467 697 W HA -0.099 4.566 4.660 0.008 0.000 0.275 697 W C 2.085 178.523 176.519 -0.135 0.000 1.239 697 W CA 0.201 57.342 57.345 -0.342 0.000 1.266 697 W CB -0.466 28.867 29.460 -0.211 0.000 1.112 697 W HN -0.020 nan 8.180 nan 0.000 0.576 698 F N -0.079 119.849 119.950 -0.038 0.000 2.128 698 F HA -0.088 4.445 4.527 0.009 0.000 0.295 698 F C 2.118 177.717 175.800 -0.334 0.000 1.100 698 F CA 0.711 58.631 58.000 -0.133 0.000 1.260 698 F CB -1.502 37.434 39.000 -0.106 0.000 1.009 698 F HN -0.188 nan 8.300 nan 0.000 0.476 699 L N -0.248 120.840 121.223 -0.225 0.000 1.955 699 L HA -0.231 4.115 4.340 0.009 0.000 0.213 699 L C 2.671 179.299 176.870 -0.402 0.000 1.072 699 L CA 1.686 56.276 54.840 -0.417 0.000 0.755 699 L CB -0.715 41.147 42.059 -0.329 0.000 0.888 699 L HN 0.025 nan 8.230 nan 0.000 0.432 700 R N -0.368 119.835 120.500 -0.496 0.000 2.159 700 R HA -0.197 4.149 4.340 0.009 0.000 0.237 700 R C 2.501 178.676 176.300 -0.209 0.000 1.131 700 R CA 1.549 57.371 56.100 -0.464 0.000 0.982 700 R CB -0.152 29.623 30.300 -0.874 0.000 0.868 700 R HN 0.270 nan 8.270 nan 0.000 0.453 701 S N 0.096 115.723 115.700 -0.122 0.000 2.368 701 S HA -0.099 4.376 4.470 0.009 0.000 0.224 701 S C 1.595 176.144 174.600 -0.085 0.000 1.029 701 S CA 1.017 59.200 58.200 -0.029 0.000 0.988 701 S CB -0.029 63.194 63.200 0.039 0.000 0.838 701 S HN 0.361 nan 8.310 nan 0.000 0.462 702 E N 0.945 121.025 120.200 -0.200 0.000 2.107 702 E HA 0.020 4.375 4.350 0.009 0.000 0.191 702 E C 2.046 178.630 176.600 -0.026 0.000 0.982 702 E CA 0.784 57.072 56.400 -0.186 0.000 0.809 702 E CB -0.377 28.966 29.700 -0.593 0.000 0.756 702 E HN 0.605 nan 8.360 nan 0.000 0.459 703 I N 0.856 121.389 120.570 -0.061 0.000 2.361 703 I HA -0.199 3.977 4.170 0.009 0.000 0.251 703 I C 2.066 178.199 176.117 0.027 0.000 1.133 703 I CA 1.013 62.312 61.300 -0.001 0.000 1.413 703 I CB -0.124 37.842 38.000 -0.056 0.000 1.073 703 I HN -0.046 nan 8.210 nan 0.000 0.424 704 A N 0.018 122.847 122.820 0.015 0.000 2.275 704 A HA 0.018 4.343 4.320 0.009 0.000 0.212 704 A C 1.513 179.133 177.584 0.059 0.000 1.201 704 A CA 0.248 52.313 52.037 0.046 0.000 0.843 704 A CB -0.135 18.889 19.000 0.040 0.000 0.873 704 A HN 0.615 nan 8.150 nan 0.000 0.492 705 Q N -1.797 118.037 119.800 0.057 0.000 1.988 705 Q HA 0.260 4.605 4.340 0.009 0.000 0.199 705 Q C -0.131 175.922 176.000 0.090 0.000 0.767 705 Q CA 0.195 56.037 55.803 0.066 0.000 0.966 705 Q CB -0.075 28.688 28.738 0.042 0.000 1.219 705 Q HN 0.243 nan 8.270 nan 0.000 0.432 706 S N 0.731 116.498 115.700 0.112 0.000 2.542 706 S HA 0.400 4.875 4.470 0.009 0.000 0.245 706 S C 0.317 175.002 174.600 0.142 0.000 1.325 706 S CA -0.534 57.764 58.200 0.163 0.000 1.176 706 S CB 0.730 64.064 63.200 0.224 0.000 1.045 706 S HN 0.334 nan 8.310 nan 0.000 0.481 707 R N 1.734 122.304 120.500 0.116 0.000 2.115 707 R HA -0.046 4.300 4.340 0.009 0.000 0.230 707 R C 1.220 177.479 176.300 -0.068 0.000 1.111 707 R CA 1.625 57.777 56.100 0.086 0.000 0.976 707 R CB -0.300 30.117 30.300 0.195 0.000 0.870 707 R HN 0.696 nan 8.270 nan 0.000 0.445 708 H N -1.606 117.232 119.070 -0.386 0.000 2.421 708 H HA -0.124 4.437 4.556 0.009 0.000 0.298 708 H C 0.656 175.557 175.328 -0.711 0.000 1.087 708 H CA 1.506 57.078 56.048 -0.794 0.000 1.330 708 H CB 0.067 29.247 29.762 -0.970 0.000 1.388 708 H HN 0.286 nan 8.280 nan 0.000 0.526 709 Y N -0.311 119.982 120.300 -0.012 0.000 2.563 709 Y HA 0.044 4.599 4.550 0.009 0.000 0.250 709 Y C 1.886 177.716 175.900 -0.117 0.000 1.126 709 Y CA -0.340 57.680 58.100 -0.133 0.000 1.231 709 Y CB 0.504 38.828 38.460 -0.226 0.000 1.288 709 Y HN 0.212 nan 8.280 nan 0.000 0.537 710 Q N 0.410 120.249 119.800 0.065 0.000 2.181 710 Q HA -0.244 4.102 4.340 0.009 0.000 0.205 710 Q C 1.277 177.075 176.000 -0.335 0.000 0.980 710 Q CA 1.963 57.736 55.803 -0.050 0.000 0.862 710 Q CB -0.321 28.346 28.738 -0.118 0.000 0.905 710 Q HN 0.528 nan 8.270 nan 0.000 0.429 711 Q N 0.666 120.227 119.800 -0.399 0.000 2.046 711 Q HA -0.143 4.202 4.340 0.009 0.000 0.200 711 Q C 2.255 178.034 176.000 -0.369 0.000 0.975 711 Q CA 1.535 57.042 55.803 -0.492 0.000 0.836 711 Q CB -0.202 28.359 28.738 -0.295 0.000 0.896 711 Q HN 0.419 nan 8.270 nan 0.000 0.428 712 R N 0.506 120.801 120.500 -0.342 0.000 2.070 712 R HA -0.146 4.200 4.340 0.009 0.000 0.233 712 R C 2.056 178.232 176.300 -0.207 0.000 1.137 712 R CA 1.491 57.382 56.100 -0.350 0.000 0.945 712 R CB -0.337 29.834 30.300 -0.214 0.000 0.845 712 R HN 0.211 nan 8.270 nan 0.000 0.430 713 F N 0.700 120.593 119.950 -0.095 0.000 2.161 713 F HA -0.203 4.330 4.527 0.009 0.000 0.300 713 F C 2.636 178.356 175.800 -0.135 0.000 1.089 713 F CA 0.768 58.706 58.000 -0.102 0.000 1.282 713 F CB -0.247 38.693 39.000 -0.100 0.000 1.010 713 F HN 0.272 nan 8.300 nan 0.000 0.485 714 A N -0.228 122.583 122.820 -0.015 0.000 1.972 714 A HA -0.115 4.210 4.320 0.009 0.000 0.219 714 A C 2.241 179.810 177.584 -0.026 0.000 1.169 714 A CA 1.620 53.620 52.037 -0.060 0.000 0.635 714 A CB -1.054 17.847 19.000 -0.164 0.000 0.810 714 A HN 0.191 nan 8.150 nan 0.000 0.446 715 V N 0.116 119.999 119.914 -0.051 0.000 2.358 715 V HA -0.236 3.889 4.120 0.009 0.000 0.246 715 V C 2.384 178.482 176.094 0.006 0.000 1.047 715 V CA 1.922 64.203 62.300 -0.032 0.000 1.035 715 V CB -0.639 31.138 31.823 -0.077 0.000 0.658 715 V HN 0.574 nan 8.190 nan 0.000 0.452 716 I N -0.527 120.060 120.570 0.029 0.000 2.252 716 I HA -0.223 3.952 4.170 0.009 0.000 0.245 716 I C 2.380 178.544 176.117 0.078 0.000 1.102 716 I CA 1.186 62.526 61.300 0.067 0.000 1.385 716 I CB -0.336 37.727 38.000 0.105 0.000 1.064 716 I HN 0.297 nan 8.210 nan 0.000 0.414 717 L N 0.900 122.153 121.223 0.049 0.000 2.046 717 L HA -0.227 4.118 4.340 0.009 0.000 0.208 717 L C 2.450 179.368 176.870 0.081 0.000 1.077 717 L CA 1.889 56.753 54.840 0.040 0.000 0.747 717 L CB -0.742 41.275 42.059 -0.070 0.000 0.896 717 L HN 0.238 nan 8.230 nan 0.000 0.432 718 E N -0.589 119.632 120.200 0.035 0.000 2.077 718 E HA -0.243 4.113 4.350 0.009 0.000 0.193 718 E C 2.066 178.682 176.600 0.027 0.000 0.989 718 E CA 1.190 57.597 56.400 0.013 0.000 0.800 718 E CB -0.102 29.592 29.700 -0.010 0.000 0.746 718 E HN 0.596 nan 8.360 nan 0.000 0.452 719 A N 0.381 123.230 122.820 0.048 0.000 1.940 719 A HA -0.221 4.104 4.320 0.009 0.000 0.219 719 A C 2.016 179.648 177.584 0.081 0.000 1.176 719 A CA 1.614 53.682 52.037 0.053 0.000 0.631 719 A CB -0.829 18.206 19.000 0.058 0.000 0.814 719 A HN 0.574 nan 8.150 nan 0.000 0.446 720 Y N 0.120 120.427 120.300 0.011 0.000 2.286 720 Y HA 0.030 4.585 4.550 0.008 0.000 0.293 720 Y C 1.776 177.704 175.900 0.047 0.000 1.124 720 Y CA 1.395 59.509 58.100 0.024 0.000 1.178 720 Y CB -0.204 38.264 38.460 0.013 0.000 1.010 720 Y HN 0.183 nan 8.280 nan 0.000 0.536 721 L N -0.080 121.065 121.223 -0.130 0.000 2.217 721 L HA -0.102 4.243 4.340 0.009 0.000 0.211 721 L C 2.150 178.960 176.870 -0.100 0.000 1.107 721 L CA 1.041 55.781 54.840 -0.167 0.000 0.783 721 L CB -0.336 41.715 42.059 -0.014 0.000 0.919 721 L HN 0.077 nan 8.230 nan 0.000 0.442 722 R N -0.445 120.026 120.500 -0.049 0.000 2.313 722 R HA 0.038 4.383 4.340 0.009 0.000 0.199 722 R C 1.574 177.865 176.300 -0.014 0.000 0.958 722 R CA 0.636 56.758 56.100 0.037 0.000 1.047 722 R CB 0.103 30.436 30.300 0.054 0.000 0.955 722 R HN 0.338 nan 8.270 nan 0.000 0.481 723 G N -0.773 107.961 108.800 -0.111 0.000 3.215 723 G HA2 -0.092 3.873 3.960 0.009 0.000 0.236 723 G HA3 -0.092 3.873 3.960 0.009 0.000 0.236 723 G C 1.229 176.026 174.900 -0.171 0.000 1.029 723 G CA -0.026 45.004 45.100 -0.118 0.000 0.909 723 G HN 0.416 nan 8.290 nan 0.000 0.543 724 C N -0.247 118.879 119.300 -0.290 0.000 2.446 724 C HA 0.552 5.017 4.460 0.009 0.000 0.279 724 C C 1.500 176.500 174.990 0.018 0.000 1.366 724 C CA 0.307 59.194 59.018 -0.220 0.000 1.763 724 C CB -1.019 26.413 27.740 -0.514 0.000 1.929 724 C HN 1.360 nan 8.230 nan 0.000 0.509 725 G N -0.984 107.806 108.800 -0.016 0.000 2.515 725 G HA2 0.075 4.041 3.960 0.009 0.000 0.686 725 G HA3 0.075 4.041 3.960 0.009 0.000 0.686 725 G C 0.017 174.922 174.900 0.008 0.000 1.274 725 G CA -0.075 45.039 45.100 0.024 0.000 0.874 725 G HN 0.244 nan 8.290 nan 0.000 0.631 726 T N 0.850 115.403 114.554 -0.002 0.000 2.867 726 T HA 0.106 4.462 4.350 0.009 0.000 0.268 726 T C 2.773 177.469 174.700 -0.007 0.000 1.057 726 T CA 2.694 64.790 62.100 -0.007 0.000 1.136 726 T CB -0.280 68.569 68.868 -0.032 0.000 0.874 726 T HN 1.459 nan 8.240 nan 0.000 0.466 727 A N 1.252 124.055 122.820 -0.028 0.000 1.929 727 A HA 0.072 4.397 4.320 0.009 0.000 0.216 727 A C 2.290 179.813 177.584 -0.102 0.000 1.176 727 A CA 1.073 53.083 52.037 -0.045 0.000 0.628 727 A CB -0.504 18.461 19.000 -0.058 0.000 0.816 727 A HN 0.436 nan 8.150 nan 0.000 0.444 728 M N -0.630 118.858 119.600 -0.186 0.000 2.156 728 M HA -0.017 4.468 4.480 0.009 0.000 0.264 728 M C 2.099 178.080 176.300 -0.532 0.000 1.067 728 M CA 1.016 56.028 55.300 -0.481 0.000 1.131 728 M CB -0.561 31.790 32.600 -0.415 0.000 1.368 728 M HN 0.340 nan 8.290 nan 0.000 0.416 729 L N -0.313 120.838 121.223 -0.121 0.000 1.978 729 L HA -0.329 4.016 4.340 0.009 0.000 0.218 729 L C 2.902 179.769 176.870 -0.005 0.000 1.075 729 L CA 1.799 56.666 54.840 0.044 0.000 0.767 729 L CB -1.167 40.954 42.059 0.102 0.000 0.890 729 L HN 0.469 nan 8.230 nan 0.000 0.434 730 H N -0.101 118.917 119.070 -0.086 0.000 2.387 730 H HA -0.199 4.361 4.556 0.007 0.000 0.299 730 H C 1.705 176.972 175.328 -0.102 0.000 1.099 730 H CA 2.028 58.036 56.048 -0.066 0.000 1.315 730 H CB 0.108 29.835 29.762 -0.059 0.000 1.380 730 H HN 0.372 nan 8.280 nan 0.000 0.513 731 D N 0.083 120.323 120.400 -0.268 0.000 2.097 731 D HA -0.117 4.528 4.640 0.009 0.000 0.197 731 D C 2.379 178.501 176.300 -0.296 0.000 0.984 731 D CA 0.966 54.762 54.000 -0.341 0.000 0.826 731 D CB -0.732 39.837 40.800 -0.384 0.000 0.973 731 D HN 0.396 nan 8.370 nan 0.000 0.460 732 F N 1.025 120.821 119.950 -0.257 0.000 2.126 732 F HA -0.188 4.344 4.527 0.009 0.000 0.299 732 F C 2.683 178.355 175.800 -0.214 0.000 1.096 732 F CA 0.974 58.732 58.000 -0.404 0.000 1.255 732 F CB -0.641 37.819 39.000 -0.899 0.000 0.997 732 F HN -0.092 nan 8.300 nan 0.000 0.479 733 T N -0.450 114.098 114.554 -0.010 0.000 2.635 733 T HA -0.282 4.073 4.350 0.009 0.000 0.267 733 T C 1.872 176.542 174.700 -0.050 0.000 1.040 733 T CA 1.624 63.712 62.100 -0.021 0.000 1.156 733 T CB -0.419 68.424 68.868 -0.042 0.000 0.863 733 T HN 0.323 nan 8.240 nan 0.000 0.430 734 Q N 0.438 120.143 119.800 -0.158 0.000 2.061 734 Q HA -0.178 4.167 4.340 0.009 0.000 0.204 734 Q C 2.626 178.620 176.000 -0.010 0.000 0.984 734 Q CA 1.543 57.276 55.803 -0.117 0.000 0.846 734 Q CB -0.165 28.459 28.738 -0.191 0.000 0.902 734 Q HN 0.644 nan 8.270 nan 0.000 0.421 735 Q N -0.532 119.317 119.800 0.083 0.000 2.084 735 Q HA -0.135 4.210 4.340 0.009 0.000 0.202 735 Q C 2.163 178.295 176.000 0.220 0.000 0.978 735 Q CA 1.468 57.387 55.803 0.194 0.000 0.844 735 Q CB -0.002 29.025 28.738 0.482 0.000 0.898 735 Q HN 0.208 nan 8.270 nan 0.000 0.426 736 V N 1.186 121.249 119.914 0.248 0.000 2.358 736 V HA -0.263 3.863 4.120 0.009 0.000 0.246 736 V C 2.150 178.318 176.094 0.123 0.000 1.047 736 V CA 1.738 64.184 62.300 0.243 0.000 1.035 736 V CB -0.561 31.373 31.823 0.186 0.000 0.658 736 V HN 0.366 nan 8.190 nan 0.000 0.452 737 Q N -0.393 119.440 119.800 0.055 0.000 2.002 737 Q HA -0.200 4.145 4.340 0.009 0.000 0.204 737 Q C 2.392 178.376 176.000 -0.027 0.000 0.988 737 Q CA 2.129 57.941 55.803 0.015 0.000 0.843 737 Q CB -0.518 28.218 28.738 -0.002 0.000 0.908 737 Q HN 0.509 nan 8.270 nan 0.000 0.420 738 V N 1.368 121.216 119.914 -0.110 0.000 2.250 738 V HA -0.316 3.809 4.120 0.009 0.000 0.250 738 V C 2.223 178.225 176.094 -0.153 0.000 1.060 738 V CA 1.991 64.145 62.300 -0.243 0.000 1.030 738 V CB -0.587 30.816 31.823 -0.701 0.000 0.643 738 V HN 0.366 nan 8.190 nan 0.000 0.445 739 I N -0.438 120.105 120.570 -0.044 0.000 2.208 739 I HA -0.271 3.904 4.170 0.009 0.000 0.245 739 I C 2.536 178.752 176.117 0.165 0.000 1.097 739 I CA 1.739 63.138 61.300 0.165 0.000 1.363 739 I CB -0.484 37.675 38.000 0.264 0.000 1.051 739 I HN 0.408 nan 8.210 nan 0.000 0.413 740 E N 0.444 120.711 120.200 0.112 0.000 2.110 740 E HA -0.233 4.122 4.350 0.009 0.000 0.193 740 E C 2.291 178.910 176.600 0.031 0.000 0.988 740 E CA 1.344 57.799 56.400 0.091 0.000 0.804 740 E CB -0.093 29.652 29.700 0.076 0.000 0.745 740 E HN 0.496 nan 8.360 nan 0.000 0.458 741 M N 0.108 119.698 119.600 -0.016 0.000 2.156 741 M HA -0.122 4.364 4.480 0.009 0.000 0.264 741 M C 2.200 178.430 176.300 -0.117 0.000 1.067 741 M CA 1.218 56.488 55.300 -0.050 0.000 1.131 741 M CB -0.096 32.473 32.600 -0.051 0.000 1.368 741 M HN 0.100 nan 8.290 nan 0.000 0.416 742 L N -0.250 120.839 121.223 -0.223 0.000 2.201 742 L HA -0.192 4.154 4.340 0.009 0.000 0.212 742 L C 2.628 179.165 176.870 -0.555 0.000 1.105 742 L CA 1.030 55.556 54.840 -0.523 0.000 0.775 742 L CB -0.622 40.871 42.059 -0.943 0.000 0.913 742 L HN 0.433 nan 8.230 nan 0.000 0.440 743 Q N 0.850 120.542 119.800 -0.181 0.000 1.993 743 Q HA -0.249 4.096 4.340 0.009 0.000 0.202 743 Q C 2.136 178.150 176.000 0.025 0.000 0.984 743 Q CA 1.759 57.628 55.803 0.109 0.000 0.837 743 Q CB 0.069 28.945 28.738 0.230 0.000 0.902 743 Q HN 0.390 nan 8.270 nan 0.000 0.423 744 K N -0.211 120.188 120.400 -0.002 0.000 2.015 744 K HA -0.199 4.126 4.320 0.009 0.000 0.216 744 K C 2.135 178.713 176.600 -0.038 0.000 1.052 744 K CA 1.987 58.267 56.287 -0.013 0.000 0.937 744 K CB -0.447 32.046 32.500 -0.012 0.000 0.719 744 K HN 0.113 nan 8.250 nan 0.000 0.446 745 V N 1.590 121.464 119.914 -0.066 0.000 2.324 745 V HA -0.288 3.838 4.120 0.009 0.000 0.250 745 V C 2.249 178.312 176.094 -0.051 0.000 1.060 745 V CA 2.334 64.595 62.300 -0.065 0.000 1.042 745 V CB -0.901 30.868 31.823 -0.090 0.000 0.650 745 V HN 0.449 nan 8.190 nan 0.000 0.450 746 T N 0.586 115.108 114.554 -0.054 0.000 2.759 746 T HA -0.135 4.220 4.350 0.009 0.000 0.269 746 T C 1.816 176.496 174.700 -0.035 0.000 1.042 746 T CA 1.626 63.731 62.100 0.008 0.000 1.140 746 T CB -0.292 68.655 68.868 0.131 0.000 0.864 746 T HN 0.366 nan 8.240 nan 0.000 0.455 747 L N 0.747 121.925 121.223 -0.075 0.000 2.072 747 L HA -0.046 4.299 4.340 0.009 0.000 0.205 747 L C 2.345 179.169 176.870 -0.076 0.000 1.079 747 L CA 1.081 55.838 54.840 -0.138 0.000 0.752 747 L CB -0.627 41.359 42.059 -0.122 0.000 0.906 747 L HN 0.125 nan 8.230 nan 0.000 0.436 748 D N 0.267 120.640 120.400 -0.046 0.000 2.183 748 D HA -0.101 4.544 4.640 0.009 0.000 0.203 748 D C 2.224 178.512 176.300 -0.021 0.000 0.969 748 D CA 0.937 54.920 54.000 -0.029 0.000 0.842 748 D CB 0.103 40.890 40.800 -0.022 0.000 0.957 748 D HN 0.190 nan 8.370 nan 0.000 0.484 749 I N 0.589 121.148 120.570 -0.018 0.000 2.500 749 I HA -0.101 4.074 4.170 0.009 0.000 0.252 749 I C 2.169 178.286 176.117 -0.001 0.000 1.142 749 I CA 0.710 62.007 61.300 -0.005 0.000 1.451 749 I CB -0.522 37.480 38.000 0.005 0.000 1.093 749 I HN -0.008 nan 8.210 nan 0.000 0.430 750 K N 1.238 121.632 120.400 -0.011 0.000 2.001 750 K HA -0.150 4.176 4.320 0.009 0.000 0.208 750 K C 2.234 178.832 176.600 -0.002 0.000 1.048 750 K CA 1.757 58.042 56.287 -0.004 0.000 0.932 750 K CB -0.009 32.472 32.500 -0.031 0.000 0.715 750 K HN 0.276 nan 8.250 nan 0.000 0.437 751 S N 0.400 116.092 115.700 -0.014 0.000 2.493 751 S HA -0.075 4.400 4.470 0.009 0.000 0.243 751 S C 0.911 175.511 174.600 0.000 0.000 0.991 751 S CA 0.366 58.563 58.200 -0.006 0.000 0.957 751 S CB -0.426 62.768 63.200 -0.010 0.000 0.756 751 S HN 0.138 nan 8.310 nan 0.000 0.521 759 V N 1.614 121.525 119.914 -0.005 0.000 2.304 759 V HA 0.462 4.587 4.120 0.009 0.000 0.269 759 V C 0.520 176.609 176.094 -0.008 0.000 1.036 759 V CA -0.441 61.856 62.300 -0.005 0.000 0.840 759 V CB 0.246 32.064 31.823 -0.009 0.000 1.036 759 V HN 0.598 nan 8.190 nan 0.000 0.466 760 S N 3.471 119.167 115.700 -0.006 0.000 2.641 760 S HA 0.209 4.684 4.470 0.009 0.000 0.261 760 S C 1.490 176.085 174.600 -0.008 0.000 1.257 760 S CA 0.098 58.294 58.200 -0.007 0.000 0.983 760 S CB 1.243 64.440 63.200 -0.005 0.000 0.990 760 S HN 0.844 nan 8.310 nan 0.000 0.572 761 S N -0.691 115.004 115.700 -0.008 0.000 2.436 761 S HA -0.118 4.358 4.470 0.009 0.000 0.228 761 S C 1.845 176.441 174.600 -0.007 0.000 1.014 761 S CA 0.746 58.941 58.200 -0.009 0.000 0.950 761 S CB -0.691 62.503 63.200 -0.009 0.000 0.784 761 S HN 0.799 nan 8.310 nan 0.000 0.504 762 Q N 0.674 120.470 119.800 -0.005 0.000 2.049 762 Q HA -0.006 4.339 4.340 0.009 0.000 0.198 762 Q C 2.154 178.152 176.000 -0.003 0.000 0.971 762 Q CA 1.471 57.271 55.803 -0.004 0.000 0.833 762 Q CB -0.307 28.429 28.738 -0.003 0.000 0.896 762 Q HN 0.442 nan 8.270 nan 0.000 0.434 763 V N 0.836 120.749 119.914 -0.002 0.000 2.720 763 V HA -0.196 3.929 4.120 0.009 0.000 0.256 763 V C 1.961 178.055 176.094 -0.000 0.000 1.082 763 V CA 1.000 63.300 62.300 0.000 0.000 1.101 763 V CB -0.322 31.503 31.823 0.003 0.000 0.693 763 V HN 0.405 nan 8.190 nan 0.000 0.479 764 I N -0.221 120.347 120.570 -0.003 0.000 2.277 764 I HA -0.093 4.083 4.170 0.009 0.000 0.243 764 I C 2.626 178.740 176.117 -0.005 0.000 1.094 764 I CA 1.970 63.267 61.300 -0.004 0.000 1.393 764 I CB -1.344 36.650 38.000 -0.009 0.000 1.078 764 I HN 0.397 nan 8.210 nan 0.000 0.417 765 S N 0.151 115.848 115.700 -0.005 0.000 2.469 765 S HA -0.154 4.322 4.470 0.009 0.000 0.238 765 S C 1.777 176.374 174.600 -0.005 0.000 0.998 765 S CA 1.087 59.284 58.200 -0.005 0.000 0.957 765 S CB 0.009 63.206 63.200 -0.005 0.000 0.764 765 S HN 0.388 nan 8.310 nan 0.000 0.514 766 Q N 0.095 119.893 119.800 -0.004 0.000 2.297 766 Q HA 0.157 4.502 4.340 0.009 0.000 0.203 766 Q C 2.053 178.050 176.000 -0.005 0.000 0.931 766 Q CA 0.407 56.208 55.803 -0.004 0.000 0.885 766 Q CB -0.576 28.160 28.738 -0.004 0.000 0.991 766 Q HN 0.515 nan 8.270 nan 0.000 0.498 767 L N 1.606 122.827 121.223 -0.003 0.000 2.005 767 L HA -0.120 4.225 4.340 0.009 0.000 0.207 767 L C 1.948 178.814 176.870 -0.007 0.000 1.072 767 L CA 1.921 56.759 54.840 -0.003 0.000 0.744 767 L CB -0.439 41.623 42.059 0.007 0.000 0.895 767 L HN -0.023 nan 8.230 nan 0.000 0.433 768 K N -0.855 119.541 120.400 -0.006 0.000 2.103 768 K HA -0.258 4.068 4.320 0.009 0.000 0.207 768 K C 2.137 178.732 176.600 -0.009 0.000 1.048 768 K CA 1.651 57.933 56.287 -0.009 0.000 0.930 768 K CB -0.232 32.264 32.500 -0.007 0.000 0.716 768 K HN 0.359 nan 8.250 nan 0.000 0.444 769 Q N 1.767 121.562 119.800 -0.008 0.000 2.050 769 Q HA -0.138 4.208 4.340 0.009 0.000 0.202 769 Q C 1.537 177.532 176.000 -0.009 0.000 0.980 769 Q CA 1.811 57.610 55.803 -0.007 0.000 0.840 769 Q CB 0.070 28.805 28.738 -0.006 0.000 0.898 769 Q HN 0.159 nan 8.270 nan 0.000 0.424 770 K N -0.325 120.068 120.400 -0.012 0.000 2.148 770 K HA -0.047 4.278 4.320 0.009 0.000 0.204 770 K C 2.101 178.689 176.600 -0.019 0.000 1.050 770 K CA 1.223 57.501 56.287 -0.015 0.000 0.942 770 K CB -0.107 32.382 32.500 -0.019 0.000 0.724 770 K HN 0.240 nan 8.250 nan 0.000 0.446 771 L N 0.845 122.056 121.223 -0.021 0.000 2.072 771 L HA -0.155 4.190 4.340 0.009 0.000 0.205 771 L C 2.116 178.976 176.870 -0.015 0.000 1.079 771 L CA 1.248 56.073 54.840 -0.025 0.000 0.752 771 L CB -0.352 41.685 42.059 -0.035 0.000 0.906 771 L HN 0.190 nan 8.230 nan 0.000 0.436 772 E N 0.148 120.341 120.200 -0.011 0.000 2.118 772 E HA -0.205 4.150 4.350 0.009 0.000 0.195 772 E C 1.905 178.504 176.600 -0.000 0.000 0.992 772 E CA 1.142 57.539 56.400 -0.005 0.000 0.804 772 E CB -0.073 29.625 29.700 -0.004 0.000 0.741 772 E HN 0.454 nan 8.360 nan 0.000 0.458 773 N N 0.527 119.225 118.700 -0.003 0.000 2.171 773 N HA -0.089 4.656 4.740 0.009 0.000 0.184 773 N C 1.908 177.420 175.510 0.003 0.000 1.021 773 N CA 0.775 53.825 53.050 0.000 0.000 0.854 773 N CB -0.138 38.347 38.487 -0.003 0.000 0.994 773 N HN 0.164 nan 8.380 nan 0.000 0.426 774 L N 0.901 122.124 121.223 -0.000 0.000 2.056 774 L HA -0.119 4.226 4.340 0.009 0.000 0.207 774 L C 2.403 179.285 176.870 0.019 0.000 1.078 774 L CA 1.043 55.886 54.840 0.005 0.000 0.749 774 L CB -0.411 41.645 42.059 -0.004 0.000 0.901 774 L HN 0.211 nan 8.230 nan 0.000 0.433 775 Q N -0.062 119.750 119.800 0.021 0.000 2.364 775 Q HA -0.107 4.238 4.340 0.009 0.000 0.209 775 Q C 0.146 176.165 176.000 0.032 0.000 0.977 775 Q CA 0.664 56.488 55.803 0.035 0.000 0.885 775 Q CB 0.261 29.015 28.738 0.026 0.000 0.941 775 Q HN 0.475 nan 8.270 nan 0.000 0.464 780 P HA 0.204 nan 4.420 nan 0.000 0.265 780 P C 0.012 177.393 177.300 0.135 0.000 1.187 780 P CA -0.104 63.053 63.100 0.096 0.000 0.766 780 P CB 0.582 32.339 31.700 0.094 0.000 0.820 781 E N 0.129 120.394 120.200 0.109 0.000 2.516 781 E HA 0.022 4.377 4.350 0.009 0.000 0.199 781 E C 0.255 176.917 176.600 0.103 0.000 1.069 781 E CA 0.708 57.169 56.400 0.101 0.000 0.876 781 E CB 0.115 29.858 29.700 0.071 0.000 0.843 781 E HN 0.330 nan 8.360 nan 0.000 0.530 782 S N -0.485 115.293 115.700 0.129 0.000 2.606 782 S HA 0.437 4.912 4.470 0.009 0.000 0.290 782 S C -1.898 172.783 174.600 0.135 0.000 1.103 782 S CA -0.940 57.302 58.200 0.071 0.000 0.870 782 S CB 0.316 63.520 63.200 0.006 0.000 1.077 782 S HN 0.173 nan 8.310 nan 0.000 0.448 783 F N 1.668 121.567 119.950 -0.085 0.000 2.641 783 F HA 0.717 5.247 4.527 0.006 0.000 0.308 783 F C -0.669 175.035 175.800 -0.160 0.000 1.105 783 F CA -1.121 56.811 58.000 -0.114 0.000 0.964 783 F CB 1.016 39.955 39.000 -0.103 0.000 1.294 783 F HN 0.541 nan 8.300 nan 0.000 0.442 784 R N 1.635 122.101 120.500 -0.057 0.000 2.594 784 R HA 0.533 4.878 4.340 0.009 0.000 0.272 784 R C -0.986 175.224 176.300 -0.150 0.000 1.074 784 R CA -0.825 55.158 56.100 -0.195 0.000 1.105 784 R CB 1.461 31.660 30.300 -0.169 0.000 1.008 784 R HN 0.601 nan 8.270 nan 0.000 0.472 785 V N 5.526 125.226 119.914 -0.356 0.000 2.408 785 V HA 0.069 4.194 4.120 0.009 0.000 0.267 785 V C -1.544 174.287 176.094 -0.438 0.000 1.047 785 V CA -1.340 60.690 62.300 -0.450 0.000 0.937 785 V CB 1.234 32.664 31.823 -0.655 0.000 0.999 785 V HN 0.675 nan 8.190 nan 0.000 0.472 786 P HA -0.162 nan 4.420 nan 0.000 0.218 786 P C 1.095 178.322 177.300 -0.121 0.000 1.148 786 P CA 1.473 64.396 63.100 -0.294 0.000 0.822 786 P CB -0.020 31.140 31.700 -0.901 0.000 0.784 787 Y N -2.417 117.891 120.300 0.014 0.000 2.511 787 Y HA 0.363 4.918 4.550 0.009 0.000 0.279 787 Y C 0.221 176.252 175.900 0.217 0.000 1.157 787 Y CA -0.377 57.847 58.100 0.206 0.000 1.300 787 Y CB -0.635 37.908 38.460 0.138 0.000 1.052 787 Y HN -0.171 nan 8.280 nan 0.000 0.529 788 D N 1.160 121.529 120.400 -0.052 0.000 2.714 788 D HA 0.220 4.865 4.640 0.009 0.000 0.264 788 D C -2.351 173.799 176.300 -0.249 0.000 1.231 788 D CA -2.258 51.740 54.000 -0.004 0.000 0.802 788 D CB 1.079 41.942 40.800 0.106 0.000 1.319 788 D HN -0.058 nan 8.370 nan 0.000 0.528 789 P HA -0.001 nan 4.420 nan 0.000 0.222 789 P C 1.474 178.524 177.300 -0.416 0.000 1.147 789 P CA 0.601 63.317 63.100 -0.641 0.000 0.790 789 P CB 0.261 31.196 31.700 -1.275 0.000 0.780 790 G N -0.049 108.578 108.800 -0.288 0.000 2.471 790 G HA2 -0.110 3.856 3.960 0.009 0.000 0.219 790 G HA3 -0.110 3.856 3.960 0.009 0.000 0.219 790 G C 0.675 175.432 174.900 -0.238 0.000 1.125 790 G CA -0.029 44.934 45.100 -0.229 0.000 0.775 790 G HN 0.258 nan 8.290 nan 0.000 0.548 791 L N 0.930 122.013 121.223 -0.234 0.000 2.276 791 L HA 0.357 4.703 4.340 0.009 0.000 0.286 791 L C -0.409 176.282 176.870 -0.299 0.000 1.061 791 L CA -0.427 54.275 54.840 -0.230 0.000 0.807 791 L CB 1.241 43.189 42.059 -0.184 0.000 1.177 791 L HN 0.015 nan 8.230 nan 0.000 0.429 792 K N 4.316 124.545 120.400 -0.284 0.000 2.293 792 K HA 0.518 4.844 4.320 0.009 0.000 0.267 792 K C -0.417 175.938 176.600 -0.408 0.000 1.010 792 K CA -0.475 55.603 56.287 -0.347 0.000 0.875 792 K CB 1.836 34.193 32.500 -0.239 0.000 1.106 792 K HN 0.618 nan 8.250 nan 0.000 0.450 793 A N 2.208 124.591 122.820 -0.728 0.000 2.322 793 A HA 0.652 4.977 4.320 0.009 0.000 0.269 793 A C 0.615 177.894 177.584 -0.508 0.000 1.094 793 A CA 0.086 51.689 52.037 -0.722 0.000 0.807 793 A CB 0.872 19.082 19.000 -1.317 0.000 1.047 793 A HN 0.865 nan 8.150 nan 0.000 0.487 794 G N -0.270 108.464 108.800 -0.110 0.000 2.449 794 G HA2 0.523 4.489 3.960 0.009 0.000 0.192 794 G HA3 0.523 4.489 3.960 0.009 0.000 0.192 794 G C 0.383 175.429 174.900 0.244 0.000 1.776 794 G CA 0.572 45.705 45.100 0.054 0.000 0.699 794 G HN 1.412 nan 8.290 nan 0.000 0.745 795 A N -0.095 122.847 122.820 0.202 0.000 2.303 795 A HA 0.757 5.082 4.320 0.009 0.000 0.317 795 A C -0.357 177.315 177.584 0.147 0.000 1.149 795 A CA -0.458 51.684 52.037 0.176 0.000 0.822 795 A CB 0.703 19.759 19.000 0.093 0.000 1.131 795 A HN 0.399 nan 8.150 nan 0.000 0.493 796 L N 1.132 122.373 121.223 0.030 0.000 2.417 796 L HA 0.405 4.750 4.340 0.009 0.000 0.268 796 L C 0.897 177.703 176.870 -0.107 0.000 1.158 796 L CA -0.126 54.594 54.840 -0.199 0.000 0.819 796 L CB 1.239 43.163 42.059 -0.224 0.000 1.112 796 L HN 0.776 nan 8.230 nan 0.000 0.458 797 A N 4.036 126.775 122.820 -0.135 0.000 3.079 797 A HA 0.364 4.689 4.320 0.009 0.000 0.315 797 A C 1.172 178.729 177.584 -0.044 0.000 1.334 797 A CA -0.438 51.570 52.037 -0.048 0.000 1.048 797 A CB -0.424 18.573 19.000 -0.005 0.000 1.156 797 A HN 0.814 nan 8.150 nan 0.000 0.523 798 I N 0.808 121.350 120.570 -0.046 0.000 2.236 798 I HA -0.291 3.884 4.170 0.009 0.000 0.249 798 I C 2.441 178.552 176.117 -0.010 0.000 1.102 798 I CA 1.666 62.945 61.300 -0.036 0.000 1.365 798 I CB -0.164 37.819 38.000 -0.028 0.000 1.051 798 I HN 0.683 nan 8.210 nan 0.000 0.420 799 E N 1.909 122.108 120.200 -0.002 0.000 2.204 799 E HA -0.230 4.125 4.350 0.009 0.000 0.195 799 E C 1.610 178.217 176.600 0.011 0.000 0.990 799 E CA 1.236 57.638 56.400 0.003 0.000 0.821 799 E CB -0.456 29.247 29.700 0.005 0.000 0.750 799 E HN 0.568 nan 8.360 nan 0.000 0.477 800 K N 0.097 120.518 120.400 0.035 0.000 2.379 800 K HA 0.140 4.465 4.320 0.009 0.000 0.194 800 K C 0.672 177.346 176.600 0.123 0.000 1.031 800 K CA 0.029 56.362 56.287 0.076 0.000 1.037 800 K CB 0.220 32.800 32.500 0.133 0.000 0.824 800 K HN 0.032 nan 8.250 nan 0.000 0.516 801 C N 2.709 122.066 119.300 0.094 0.000 2.657 801 C HA 0.214 4.679 4.460 0.009 0.000 0.404 801 C C 0.404 175.442 174.990 0.080 0.000 1.291 801 C CA -0.381 58.716 59.018 0.131 0.000 2.218 801 C CB -0.390 27.375 27.740 0.043 0.000 2.687 801 C HN 0.507 nan 8.230 nan 0.000 0.634 802 K N 0.003 120.474 120.400 0.119 0.000 2.672 802 K HA 0.628 4.953 4.320 0.009 0.000 0.295 802 K C -2.170 174.488 176.600 0.097 0.000 1.042 802 K CA -0.814 55.501 56.287 0.046 0.000 0.869 802 K CB 0.752 33.212 32.500 -0.067 0.000 1.541 802 K HN 0.179 nan 8.250 nan 0.000 0.396 803 V N 2.617 122.564 119.914 0.055 0.000 2.333 803 V HA 0.278 4.403 4.120 0.009 0.000 0.274 803 V C 0.262 176.393 176.094 0.062 0.000 1.028 803 V CA -0.701 61.644 62.300 0.076 0.000 0.851 803 V CB 0.798 32.652 31.823 0.050 0.000 1.000 803 V HN 0.663 nan 8.190 nan 0.000 0.456 804 M N 3.163 122.829 119.600 0.110 0.000 2.184 804 M HA 0.234 4.719 4.480 0.009 0.000 0.296 804 M C 1.064 177.394 176.300 0.051 0.000 1.165 804 M CA 0.342 55.695 55.300 0.088 0.000 1.175 804 M CB 0.344 33.044 32.600 0.166 0.000 1.392 804 M HN 0.643 nan 8.290 nan 0.000 0.457 805 A N 1.007 123.843 122.820 0.028 0.000 2.684 805 A HA 0.289 4.615 4.320 0.009 0.000 0.288 805 A C 0.453 178.047 177.584 0.016 0.000 1.337 805 A CA -0.280 51.764 52.037 0.012 0.000 0.946 805 A CB -0.615 18.380 19.000 -0.008 0.000 1.093 805 A HN 0.777 nan 8.150 nan 0.000 0.543 806 S N -1.067 114.652 115.700 0.032 0.000 2.730 806 S HA 0.412 4.888 4.470 0.009 0.000 0.284 806 S C 0.722 175.344 174.600 0.037 0.000 1.153 806 S CA -0.525 57.691 58.200 0.027 0.000 0.995 806 S CB 1.017 64.235 63.200 0.031 0.000 1.058 806 S HN 0.293 nan 8.310 nan 0.000 0.552 807 K N 0.174 120.597 120.400 0.038 0.000 2.288 807 K HA 0.076 4.401 4.320 0.009 0.000 0.201 807 K C 1.270 177.910 176.600 0.067 0.000 1.048 807 K CA 0.600 56.915 56.287 0.047 0.000 0.956 807 K CB -0.039 32.490 32.500 0.048 0.000 0.746 807 K HN 0.406 nan 8.250 nan 0.000 0.461 808 K N 0.875 121.323 120.400 0.079 0.000 2.459 808 K HA 0.026 4.352 4.320 0.009 0.000 0.193 808 K C -0.131 176.541 176.600 0.119 0.000 1.030 808 K CA 0.235 56.588 56.287 0.110 0.000 1.026 808 K CB 0.276 32.844 32.500 0.112 0.000 0.809 808 K HN -0.064 nan 8.250 nan 0.000 0.504 809 K N 0.464 120.921 120.400 0.094 0.000 3.730 809 K HA -0.143 4.182 4.320 0.009 0.000 0.276 809 K C -2.733 173.944 176.600 0.127 0.000 0.904 809 K CA 0.335 56.678 56.287 0.093 0.000 0.741 809 K CB -2.057 30.487 32.500 0.074 0.000 1.542 809 K HN 0.233 nan 8.250 nan 0.000 0.446 810 P HA 0.161 nan 4.420 nan 0.000 0.275 810 P C 0.480 177.906 177.300 0.210 0.000 1.228 810 P CA -0.489 62.723 63.100 0.187 0.000 0.786 810 P CB 0.658 32.460 31.700 0.169 0.000 0.927 811 L N 2.413 123.787 121.223 0.252 0.000 2.331 811 L HA 0.275 4.620 4.340 0.009 0.000 0.278 811 L C 0.261 177.322 176.870 0.318 0.000 1.106 811 L CA -0.318 54.673 54.840 0.252 0.000 0.824 811 L CB 0.507 42.693 42.059 0.210 0.000 1.142 811 L HN 0.448 nan 8.230 nan 0.000 0.443 812 W N 6.799 128.162 121.300 0.106 0.000 2.283 812 W HA 0.495 5.159 4.660 0.006 0.000 0.317 812 W C -1.679 174.893 176.519 0.089 0.000 1.042 812 W CA -0.732 56.675 57.345 0.104 0.000 1.348 812 W CB 0.719 30.221 29.460 0.070 0.000 1.216 812 W HN 0.383 nan 8.180 nan 0.000 0.404 813 L N 5.579 126.886 121.223 0.140 0.000 2.330 813 L HA 0.535 4.880 4.340 0.009 0.000 0.271 813 L C 0.166 177.055 176.870 0.031 0.000 1.013 813 L CA -0.865 54.035 54.840 0.100 0.000 0.816 813 L CB 1.981 44.127 42.059 0.145 0.000 1.287 813 L HN 0.211 nan 8.230 nan 0.000 0.435 814 E N 2.012 122.165 120.200 -0.079 0.000 2.260 814 E HA 0.481 4.837 4.350 0.009 0.000 0.266 814 E C -1.597 174.900 176.600 -0.172 0.000 0.887 814 E CA -0.361 56.042 56.400 0.005 0.000 0.777 814 E CB 2.700 32.466 29.700 0.111 0.000 1.205 814 E HN 0.242 nan 8.360 nan 0.000 0.414 815 F N 1.074 121.065 119.950 0.069 0.000 2.538 815 F HA 0.362 4.894 4.527 0.008 0.000 0.325 815 F C 0.702 176.513 175.800 0.018 0.000 1.066 815 F CA -0.942 57.087 58.000 0.048 0.000 0.946 815 F CB 1.741 40.757 39.000 0.025 0.000 1.199 815 F HN 0.140 nan 8.300 nan 0.000 0.473 816 K N 1.521 122.036 120.400 0.191 0.000 2.218 816 K HA 0.337 4.663 4.320 0.009 0.000 0.276 816 K C -0.679 175.961 176.600 0.066 0.000 1.022 816 K CA -0.524 55.825 56.287 0.103 0.000 0.946 816 K CB 0.954 33.497 32.500 0.071 0.000 1.000 816 K HN 0.801 nan 8.250 nan 0.000 0.468 817 C N 4.249 123.562 119.300 0.021 0.000 2.576 817 C HA 0.344 4.809 4.460 0.009 0.000 0.401 817 C C 1.409 176.375 174.990 -0.040 0.000 1.314 817 C CA -0.154 58.843 59.018 -0.035 0.000 1.855 817 C CB -0.956 26.762 27.740 -0.036 0.000 2.537 817 C HN 0.877 nan 8.230 nan 0.000 0.578 818 A N 3.901 126.677 122.820 -0.072 0.000 2.235 818 A HA 0.110 4.435 4.320 0.009 0.000 0.208 818 A C 0.775 178.326 177.584 -0.055 0.000 1.172 818 A CA 0.534 52.538 52.037 -0.054 0.000 0.786 818 A CB -0.307 18.654 19.000 -0.066 0.000 0.804 818 A HN 0.909 nan 8.150 nan 0.000 0.479 819 D N -0.156 120.202 120.400 -0.070 0.000 2.396 819 D HA 0.327 4.973 4.640 0.009 0.000 0.225 819 D C -1.786 174.482 176.300 -0.054 0.000 1.121 819 D CA -2.082 51.875 54.000 -0.071 0.000 0.853 819 D CB 1.397 42.136 40.800 -0.102 0.000 1.043 819 D HN -0.008 nan 8.370 nan 0.000 0.500 820 P HA -0.119 nan 4.420 nan 0.000 0.218 820 P C 1.131 178.409 177.300 -0.036 0.000 1.148 820 P CA 1.238 64.322 63.100 -0.026 0.000 0.822 820 P CB 0.027 31.717 31.700 -0.015 0.000 0.784 821 T N -3.493 111.029 114.554 -0.053 0.000 3.227 821 T HA 0.261 4.616 4.350 0.009 0.000 0.257 821 T C 0.831 175.470 174.700 -0.102 0.000 1.162 821 T CA -0.079 61.977 62.100 -0.074 0.000 1.051 821 T CB -0.959 67.857 68.868 -0.087 0.000 0.953 821 T HN 0.058 nan 8.240 nan 0.000 0.535 822 A N 1.032 123.805 122.820 -0.079 0.000 2.498 822 A HA 0.526 4.851 4.320 0.009 0.000 0.239 822 A C 1.185 178.725 177.584 -0.074 0.000 1.068 822 A CA -0.431 51.562 52.037 -0.073 0.000 0.766 822 A CB -0.018 18.954 19.000 -0.048 0.000 1.003 822 A HN 0.561 nan 8.150 nan 0.000 0.497 823 L N 1.445 122.619 121.223 -0.081 0.000 2.591 823 L HA 0.141 4.486 4.340 0.009 0.000 0.228 823 L C 1.090 177.930 176.870 -0.051 0.000 1.133 823 L CA 0.475 55.253 54.840 -0.104 0.000 0.880 823 L CB -0.293 41.663 42.059 -0.172 0.000 1.033 823 L HN 0.652 nan 8.230 nan 0.000 0.450 824 S N -1.208 114.479 115.700 -0.021 0.000 2.685 824 S HA 0.415 4.891 4.470 0.009 0.000 0.282 824 S C 0.030 174.636 174.600 0.011 0.000 1.159 824 S CA -0.617 57.584 58.200 0.003 0.000 0.833 824 S CB 1.368 64.581 63.200 0.022 0.000 1.151 824 S HN 0.060 nan 8.310 nan 0.000 0.485 825 N N 0.861 119.574 118.700 0.022 0.000 2.184 825 N HA 0.226 4.971 4.740 0.009 0.000 0.206 825 N C -0.570 174.965 175.510 0.042 0.000 1.151 825 N CA -0.044 53.023 53.050 0.028 0.000 0.878 825 N CB 0.262 38.765 38.487 0.027 0.000 1.014 825 N HN 0.586 nan 8.380 nan 0.000 0.512 826 E N 1.320 121.549 120.200 0.048 0.000 2.529 826 E HA -0.027 4.328 4.350 0.009 0.000 0.259 826 E C 0.226 176.868 176.600 0.070 0.000 0.966 826 E CA 0.486 56.925 56.400 0.065 0.000 0.937 826 E CB 0.437 30.178 29.700 0.069 0.000 0.923 826 E HN 0.263 nan 8.360 nan 0.000 0.468 827 T N 0.432 115.037 114.554 0.086 0.000 2.899 827 T HA 0.415 4.771 4.350 0.009 0.000 0.284 827 T C 0.533 175.300 174.700 0.111 0.000 1.004 827 T CA -0.798 61.361 62.100 0.099 0.000 1.043 827 T CB 0.671 69.605 68.868 0.110 0.000 1.013 827 T HN 0.266 nan 8.240 nan 0.000 0.518 828 I N 1.738 122.389 120.570 0.134 0.000 2.396 828 I HA 0.375 4.550 4.170 0.009 0.000 0.289 828 I C 1.095 177.324 176.117 0.187 0.000 1.056 828 I CA -0.365 61.019 61.300 0.140 0.000 1.365 828 I CB 0.398 38.455 38.000 0.096 0.000 1.407 828 I HN 0.881 nan 8.210 nan 0.000 0.509 829 G N 7.963 116.827 108.800 0.107 0.000 2.347 829 G HA2 0.665 4.630 3.960 0.009 0.000 0.314 829 G HA3 0.665 4.630 3.960 0.009 0.000 0.314 829 G C -0.508 174.390 174.900 -0.003 0.000 1.126 829 G CA -0.395 44.697 45.100 -0.013 0.000 0.929 829 G HN 0.545 nan 8.290 nan 0.000 0.441 830 I N 3.373 123.980 120.570 0.061 0.000 2.439 830 I HA 0.288 4.464 4.170 0.009 0.000 0.285 830 I C -0.124 176.036 176.117 0.072 0.000 1.021 830 I CA -0.721 60.673 61.300 0.156 0.000 1.091 830 I CB 2.210 40.432 38.000 0.372 0.000 1.242 830 I HN 0.237 nan 8.210 nan 0.000 0.439 831 I N 5.710 126.275 120.570 -0.008 0.000 2.471 831 I HA 0.128 4.303 4.170 0.009 0.000 0.286 831 I C -0.665 175.551 176.117 0.166 0.000 1.079 831 I CA 0.100 61.430 61.300 0.049 0.000 1.398 831 I CB 0.686 38.677 38.000 -0.015 0.000 1.403 831 I HN 0.447 nan 8.210 nan 0.000 0.530 832 F N 7.775 127.791 119.950 0.110 0.000 2.375 832 F HA 0.388 4.922 4.527 0.012 0.000 0.361 832 F C 0.001 175.875 175.800 0.123 0.000 1.117 832 F CA -0.544 57.530 58.000 0.123 0.000 1.037 832 F CB 0.746 39.828 39.000 0.137 0.000 1.192 832 F HN 0.319 nan 8.300 nan 0.000 0.452 833 K N 5.419 125.854 120.400 0.059 0.000 2.345 833 K HA 0.266 4.591 4.320 0.009 0.000 0.255 833 K C -1.471 175.218 176.600 0.147 0.000 0.934 833 K CA -0.693 55.673 56.287 0.132 0.000 0.801 833 K CB 0.958 33.497 32.500 0.065 0.000 1.137 833 K HN 0.681 nan 8.250 nan 0.000 0.424 834 H N 2.062 121.208 119.070 0.127 0.000 2.529 834 H HA 0.394 4.955 4.556 0.009 0.000 0.348 834 H C 0.384 175.764 175.328 0.087 0.000 1.152 834 H CA 0.987 57.103 56.048 0.113 0.000 1.202 834 H CB 1.956 31.805 29.762 0.146 0.000 1.562 834 H HN 0.889 nan 8.280 nan 0.000 0.515 835 G N 4.048 112.491 108.800 -0.596 0.000 2.218 835 G HA2 -0.196 3.769 3.960 0.009 0.000 0.216 835 G HA3 -0.196 3.769 3.960 0.009 0.000 0.216 835 G C -0.417 174.408 174.900 -0.124 0.000 0.994 835 G CA 0.095 45.025 45.100 -0.284 0.000 0.637 835 G HN 0.636 nan 8.290 nan 0.000 0.505 836 D N 0.467 120.811 120.400 -0.093 0.000 2.252 836 D HA 0.523 5.168 4.640 0.009 0.000 0.245 836 D C -1.043 175.234 176.300 -0.038 0.000 1.009 836 D CA -0.398 53.584 54.000 -0.029 0.000 0.870 836 D CB 1.598 42.408 40.800 0.017 0.000 1.251 836 D HN 0.024 nan 8.370 nan 0.000 0.460 837 D N 1.774 122.166 120.400 -0.013 0.000 2.422 837 D HA 0.114 4.760 4.640 0.009 0.000 0.227 837 D C 0.810 177.114 176.300 0.006 0.000 1.190 837 D CA -0.147 53.848 54.000 -0.008 0.000 0.905 837 D CB 0.385 41.184 40.800 -0.003 0.000 1.034 837 D HN 0.276 nan 8.370 nan 0.000 0.507 838 L N 3.146 124.371 121.223 0.004 0.000 2.610 838 L HA 0.085 4.431 4.340 0.009 0.000 0.232 838 L C 2.169 179.048 176.870 0.014 0.000 1.149 838 L CA 0.070 54.924 54.840 0.023 0.000 0.872 838 L CB -0.033 42.037 42.059 0.018 0.000 0.992 838 L HN 0.232 nan 8.230 nan 0.000 0.447 839 R N 0.099 120.595 120.500 -0.007 0.000 2.105 839 R HA -0.187 4.159 4.340 0.009 0.000 0.239 839 R C 2.278 178.552 176.300 -0.044 0.000 1.135 839 R CA 1.503 57.581 56.100 -0.038 0.000 0.967 839 R CB -0.173 30.096 30.300 -0.052 0.000 0.861 839 R HN 0.466 nan 8.270 nan 0.000 0.442 840 Q N 0.111 119.902 119.800 -0.015 0.000 2.079 840 Q HA -0.159 4.187 4.340 0.009 0.000 0.200 840 Q C 1.432 177.442 176.000 0.016 0.000 0.974 840 Q CA 1.783 57.581 55.803 -0.009 0.000 0.840 840 Q CB -0.031 28.715 28.738 0.014 0.000 0.898 840 Q HN 0.386 nan 8.270 nan 0.000 0.430 841 D N 0.699 121.141 120.400 0.070 0.000 2.106 841 D HA -0.196 4.450 4.640 0.009 0.000 0.191 841 D C 1.797 178.109 176.300 0.021 0.000 0.997 841 D CA 1.468 55.545 54.000 0.128 0.000 0.834 841 D CB -0.095 40.817 40.800 0.187 0.000 0.956 841 D HN 0.157 nan 8.370 nan 0.000 0.448 842 M N -0.072 119.519 119.600 -0.015 0.000 2.108 842 M HA -0.210 4.275 4.480 0.009 0.000 0.257 842 M C 2.103 178.319 176.300 -0.139 0.000 1.071 842 M CA 1.298 56.552 55.300 -0.078 0.000 1.093 842 M CB -0.374 32.164 32.600 -0.102 0.000 1.345 842 M HN 0.103 nan 8.290 nan 0.000 0.403 843 L N -0.397 120.746 121.223 -0.134 0.000 2.005 843 L HA -0.209 4.136 4.340 0.009 0.000 0.207 843 L C 2.471 179.253 176.870 -0.147 0.000 1.072 843 L CA 0.760 55.512 54.840 -0.147 0.000 0.744 843 L CB -0.586 41.398 42.059 -0.125 0.000 0.895 843 L HN 0.279 nan 8.230 nan 0.000 0.433 844 I N 0.100 120.577 120.570 -0.155 0.000 2.127 844 I HA -0.316 3.859 4.170 0.009 0.000 0.241 844 I C 2.586 178.508 176.117 -0.324 0.000 1.075 844 I CA 1.785 62.931 61.300 -0.257 0.000 1.334 844 I CB -1.087 36.677 38.000 -0.393 0.000 1.040 844 I HN 0.249 nan 8.210 nan 0.000 0.405 845 L N -0.026 121.016 121.223 -0.302 0.000 2.043 845 L HA -0.278 4.067 4.340 0.009 0.000 0.212 845 L C 2.645 179.394 176.870 -0.202 0.000 1.075 845 L CA 1.441 56.123 54.840 -0.264 0.000 0.752 845 L CB -0.622 41.298 42.059 -0.231 0.000 0.891 845 L HN 0.278 nan 8.230 nan 0.000 0.432 846 Q N -0.008 119.684 119.800 -0.180 0.000 2.167 846 Q HA -0.146 4.200 4.340 0.009 0.000 0.202 846 Q C 2.062 177.974 176.000 -0.146 0.000 0.970 846 Q CA 1.419 57.124 55.803 -0.162 0.000 0.855 846 Q CB -0.016 28.617 28.738 -0.173 0.000 0.911 846 Q HN 0.371 nan 8.270 nan 0.000 0.438 847 I N 0.036 120.518 120.570 -0.147 0.000 2.226 847 I HA -0.252 3.923 4.170 0.009 0.000 0.245 847 I C 2.093 178.104 176.117 -0.177 0.000 1.100 847 I CA 1.057 62.278 61.300 -0.131 0.000 1.374 847 I CB -1.147 36.791 38.000 -0.103 0.000 1.057 847 I HN 0.273 nan 8.210 nan 0.000 0.413 848 L N 0.267 121.370 121.223 -0.200 0.000 2.042 848 L HA -0.211 4.134 4.340 0.009 0.000 0.210 848 L C 2.848 179.610 176.870 -0.182 0.000 1.076 848 L CA 1.389 56.102 54.840 -0.211 0.000 0.749 848 L CB -0.643 41.303 42.059 -0.188 0.000 0.893 848 L HN 0.223 nan 8.230 nan 0.000 0.432 849 R N 0.098 120.517 120.500 -0.134 0.000 2.096 849 R HA -0.141 4.204 4.340 0.009 0.000 0.235 849 R C 2.238 178.502 176.300 -0.060 0.000 1.127 849 R CA 1.361 57.416 56.100 -0.075 0.000 0.968 849 R CB -0.468 29.786 30.300 -0.077 0.000 0.861 849 R HN 0.365 nan 8.270 nan 0.000 0.440 850 I N 0.606 121.105 120.570 -0.120 0.000 2.315 850 I HA -0.263 3.912 4.170 0.009 0.000 0.248 850 I C 2.513 178.455 176.117 -0.292 0.000 1.117 850 I CA 1.249 62.441 61.300 -0.180 0.000 1.404 850 I CB -0.157 37.749 38.000 -0.156 0.000 1.071 850 I HN 0.145 nan 8.210 nan 0.000 0.419 851 M N -0.061 119.316 119.600 -0.372 0.000 2.108 851 M HA -0.245 4.241 4.480 0.009 0.000 0.261 851 M C 2.196 178.049 176.300 -0.746 0.000 1.066 851 M CA 1.842 56.732 55.300 -0.684 0.000 1.107 851 M CB -0.367 31.750 32.600 -0.806 0.000 1.356 851 M HN 0.195 nan 8.290 nan 0.000 0.406 852 E N -0.166 119.831 120.200 -0.339 0.000 2.110 852 E HA -0.166 4.190 4.350 0.009 0.000 0.193 852 E C 2.066 178.668 176.600 0.003 0.000 0.988 852 E CA 1.705 58.095 56.400 -0.017 0.000 0.804 852 E CB -0.073 29.667 29.700 0.067 0.000 0.745 852 E HN 0.571 nan 8.360 nan 0.000 0.458 853 S N 0.885 116.522 115.700 -0.104 0.000 2.383 853 S HA -0.112 4.363 4.470 0.009 0.000 0.227 853 S C 2.084 176.592 174.600 -0.153 0.000 1.026 853 S CA 0.567 58.688 58.200 -0.133 0.000 0.981 853 S CB -0.477 62.512 63.200 -0.353 0.000 0.818 853 S HN 0.164 nan 8.310 nan 0.000 0.472 854 I N -0.110 120.292 120.570 -0.280 0.000 2.208 854 I HA -0.156 4.020 4.170 0.009 0.000 0.245 854 I C 2.384 178.473 176.117 -0.047 0.000 1.097 854 I CA 1.300 62.399 61.300 -0.334 0.000 1.363 854 I CB -0.390 37.271 38.000 -0.564 0.000 1.051 854 I HN 0.367 nan 8.210 nan 0.000 0.413 855 W N 1.131 122.395 121.300 -0.061 0.000 2.519 855 W HA -0.099 4.566 4.660 0.009 0.000 0.266 855 W C 2.491 179.039 176.519 0.048 0.000 1.253 855 W CA 0.870 58.207 57.345 -0.013 0.000 1.274 855 W CB -0.669 28.762 29.460 -0.047 0.000 1.114 855 W HN 0.309 nan 8.180 nan 0.000 0.596 856 E N 0.100 120.456 120.200 0.260 0.000 2.112 856 E HA -0.153 4.202 4.350 0.009 0.000 0.190 856 E C 2.034 178.731 176.600 0.162 0.000 0.979 856 E CA 1.837 58.385 56.400 0.247 0.000 0.814 856 E CB -0.072 29.729 29.700 0.167 0.000 0.762 856 E HN 0.105 nan 8.360 nan 0.000 0.460 857 T N -1.359 113.259 114.554 0.107 0.000 3.155 857 T HA -0.055 4.301 4.350 0.009 0.000 0.264 857 T C 0.790 175.564 174.700 0.124 0.000 1.160 857 T CA 0.727 62.879 62.100 0.087 0.000 1.075 857 T CB -0.069 68.841 68.868 0.069 0.000 0.921 857 T HN 0.158 nan 8.240 nan 0.000 0.533 858 E N 0.763 121.067 120.200 0.173 0.000 2.995 858 E HA 0.274 4.629 4.350 0.009 0.000 0.203 858 E C -0.302 176.407 176.600 0.182 0.000 0.980 858 E CA -0.424 56.080 56.400 0.173 0.000 1.172 858 E CB 0.599 30.430 29.700 0.218 0.000 1.088 858 E HN 0.371 nan 8.360 nan 0.000 0.463 859 S N 0.921 116.749 115.700 0.214 0.000 3.550 859 S HA -0.197 4.278 4.470 0.009 0.000 0.372 859 S C -0.205 174.616 174.600 0.368 0.000 0.966 859 S CA 0.657 59.036 58.200 0.299 0.000 1.229 859 S CB -1.127 62.181 63.200 0.180 0.000 0.917 859 S HN 0.402 nan 8.310 nan 0.000 0.496 860 L N 0.848 122.277 121.223 0.343 0.000 2.445 860 L HA 0.640 4.985 4.340 0.009 0.000 0.262 860 L C -0.940 175.772 176.870 -0.263 0.000 0.974 860 L CA -0.597 54.231 54.840 -0.019 0.000 0.822 860 L CB 2.138 44.163 42.059 -0.057 0.000 1.339 860 L HN 0.187 nan 8.230 nan 0.000 0.409 861 D N 3.004 123.064 120.400 -0.567 0.000 2.364 861 D HA 0.252 4.898 4.640 0.009 0.000 0.251 861 D C -0.252 175.809 176.300 -0.398 0.000 1.282 861 D CA -0.333 53.314 54.000 -0.587 0.000 0.927 861 D CB 1.100 41.219 40.800 -1.135 0.000 1.267 861 D HN 0.227 nan 8.370 nan 0.000 0.531 862 L N 1.844 122.889 121.223 -0.297 0.000 2.645 862 L HA 0.190 4.536 4.340 0.009 0.000 0.235 862 L C 0.854 177.661 176.870 -0.105 0.000 1.150 862 L CA 0.145 54.828 54.840 -0.262 0.000 0.911 862 L CB -0.700 40.949 42.059 -0.683 0.000 1.077 862 L HN 0.615 nan 8.230 nan 0.000 0.438 863 C N -0.462 118.784 119.300 -0.090 0.000 4.350 863 C HA -0.201 4.265 4.460 0.009 0.000 0.302 863 C C 1.210 176.235 174.990 0.058 0.000 1.390 863 C CA -0.618 58.386 59.018 -0.023 0.000 2.016 863 C CB -3.278 24.456 27.740 -0.011 0.000 1.271 863 C HN 0.359 nan 8.230 nan 0.000 0.760 864 L N -0.497 120.740 121.223 0.024 0.000 2.474 864 L HA 0.382 4.727 4.340 0.009 0.000 0.259 864 L C 0.698 177.667 176.870 0.165 0.000 1.232 864 L CA 0.117 54.958 54.840 0.001 0.000 0.821 864 L CB 0.238 42.209 42.059 -0.147 0.000 1.108 864 L HN 0.362 nan 8.230 nan 0.000 0.495 865 L N 2.326 123.754 121.223 0.341 0.000 2.480 865 L HA 0.310 4.655 4.340 0.009 0.000 0.253 865 L C -2.271 174.740 176.870 0.234 0.000 1.324 865 L CA -1.365 53.603 54.840 0.214 0.000 0.916 865 L CB 1.396 43.471 42.059 0.028 0.000 1.160 865 L HN 0.314 nan 8.230 nan 0.000 0.503 866 P HA 0.123 nan 4.420 nan 0.000 0.252 866 P C -0.799 176.443 177.300 -0.096 0.000 1.727 866 P CA -0.149 62.927 63.100 -0.041 0.000 1.134 866 P CB -0.490 31.174 31.700 -0.061 0.000 1.876 867 Y N 0.202 120.537 120.300 0.060 0.000 2.607 867 Y HA 0.373 4.929 4.550 0.009 0.000 0.348 867 Y C 1.145 176.998 175.900 -0.079 0.000 1.261 867 Y CA -1.071 57.002 58.100 -0.044 0.000 1.480 867 Y CB -0.357 38.071 38.460 -0.054 0.000 1.358 867 Y HN 0.293 nan 8.280 nan 0.000 0.630 868 G N 0.132 108.873 108.800 -0.097 0.000 2.406 868 G HA2 0.334 4.300 3.960 0.009 0.000 0.251 868 G HA3 0.334 4.300 3.960 0.009 0.000 0.251 868 G C -1.294 173.503 174.900 -0.171 0.000 1.271 868 G CA -0.278 44.685 45.100 -0.229 0.000 0.859 868 G HN 1.088 nan 8.290 nan 0.000 0.540 869 C N 5.028 124.335 119.300 0.012 0.000 2.727 869 C HA 0.562 5.027 4.460 0.009 0.000 0.369 869 C C -0.910 174.153 174.990 0.122 0.000 1.067 869 C CA -1.035 58.031 59.018 0.079 0.000 1.273 869 C CB -0.421 27.382 27.740 0.106 0.000 1.778 869 C HN 0.589 nan 8.230 nan 0.000 0.467 870 I N 4.892 125.536 120.570 0.122 0.000 2.406 870 I HA 0.308 4.483 4.170 0.009 0.000 0.290 870 I C 0.505 176.630 176.117 0.013 0.000 0.999 870 I CA 0.256 61.613 61.300 0.095 0.000 1.124 870 I CB 1.986 39.985 38.000 -0.001 0.000 1.289 870 I HN 0.727 nan 8.210 nan 0.000 0.441 871 S N 3.873 119.608 115.700 0.057 0.000 2.448 871 S HA 0.205 4.681 4.470 0.009 0.000 0.279 871 S C 1.174 175.819 174.600 0.075 0.000 1.195 871 S CA -0.329 57.891 58.200 0.033 0.000 1.051 871 S CB 0.230 63.450 63.200 0.034 0.000 0.948 871 S HN 0.770 nan 8.310 nan 0.000 0.493 872 T N 2.101 116.679 114.554 0.041 0.000 3.015 872 T HA 0.496 4.851 4.350 0.009 0.000 0.250 872 T C 0.954 175.761 174.700 0.178 0.000 1.057 872 T CA 0.273 62.466 62.100 0.156 0.000 1.066 872 T CB 0.246 69.150 68.868 0.059 0.000 0.959 872 T HN 0.734 nan 8.240 nan 0.000 0.488 873 G N 0.538 109.398 108.800 0.099 0.000 2.604 873 G HA2 0.407 4.373 3.960 0.009 0.000 0.242 873 G HA3 0.407 4.373 3.960 0.009 0.000 0.242 873 G C -1.960 172.976 174.900 0.061 0.000 1.208 873 G CA -0.585 44.570 45.100 0.092 0.000 0.912 873 G HN 0.058 nan 8.290 nan 0.000 0.502 874 D N 0.925 121.367 120.400 0.069 0.000 2.402 874 D HA 0.336 4.981 4.640 0.009 0.000 0.235 874 D C 0.602 176.905 176.300 0.005 0.000 1.226 874 D CA 0.135 54.164 54.000 0.048 0.000 0.918 874 D CB -0.070 40.772 40.800 0.069 0.000 1.043 874 D HN 0.496 nan 8.370 nan 0.000 0.506 875 K N 1.488 121.867 120.400 -0.035 0.000 3.281 875 K HA -0.201 4.125 4.320 0.009 0.000 0.295 875 K C 0.170 176.671 176.600 -0.165 0.000 1.233 875 K CA 0.885 57.099 56.287 -0.121 0.000 0.866 875 K CB -1.795 30.583 32.500 -0.203 0.000 1.265 875 K HN 0.661 nan 8.250 nan 0.000 0.482 876 I N -4.076 116.464 120.570 -0.052 0.000 3.002 876 I HA 0.871 5.046 4.170 0.009 0.000 0.310 876 I C 0.282 176.345 176.117 -0.090 0.000 1.087 876 I CA -0.490 60.794 61.300 -0.026 0.000 1.017 876 I CB 2.681 40.753 38.000 0.119 0.000 1.226 876 I HN -0.016 nan 8.210 nan 0.000 0.443 877 G N 3.434 112.092 108.800 -0.237 0.000 2.377 877 G HA2 0.545 4.510 3.960 0.009 0.000 0.302 877 G HA3 0.545 4.510 3.960 0.009 0.000 0.302 877 G C -1.506 173.101 174.900 -0.489 0.000 1.296 877 G CA -0.812 44.116 45.100 -0.286 0.000 0.834 877 G HN 0.938 nan 8.290 nan 0.000 0.491 878 M N -0.994 118.431 119.600 -0.293 0.000 2.550 878 M HA 0.884 5.369 4.480 0.009 0.000 0.292 878 M C -1.505 174.800 176.300 0.008 0.000 1.221 878 M CA -0.917 54.270 55.300 -0.188 0.000 0.873 878 M CB 2.587 35.117 32.600 -0.118 0.000 1.727 878 M HN 0.354 nan 8.290 nan 0.000 0.459 879 I N 0.588 121.174 120.570 0.025 0.000 2.619 879 I HA 0.320 4.496 4.170 0.009 0.000 0.292 879 I C -0.532 175.498 176.117 -0.145 0.000 1.100 879 I CA -0.514 60.767 61.300 -0.031 0.000 1.043 879 I CB 2.384 40.385 38.000 0.001 0.000 1.239 879 I HN 0.825 nan 8.210 nan 0.000 0.420 880 E N 6.127 126.073 120.200 -0.424 0.000 2.366 880 E HA 0.205 4.560 4.350 0.009 0.000 0.266 880 E C -0.767 175.695 176.600 -0.229 0.000 1.015 880 E CA -0.294 55.843 56.400 -0.438 0.000 0.906 880 E CB 0.689 30.022 29.700 -0.612 0.000 0.979 880 E HN 0.422 nan 8.360 nan 0.000 0.443 881 I N 5.281 125.731 120.570 -0.200 0.000 2.436 881 I HA 0.022 4.198 4.170 0.009 0.000 0.289 881 I C -0.069 175.974 176.117 -0.124 0.000 1.083 881 I CA -0.553 60.596 61.300 -0.252 0.000 1.372 881 I CB 0.993 38.706 38.000 -0.477 0.000 1.408 881 I HN 0.307 nan 8.210 nan 0.000 0.516 882 V N 7.889 127.752 119.914 -0.084 0.000 2.470 882 V HA 0.065 4.190 4.120 0.009 0.000 0.276 882 V C 0.739 176.863 176.094 0.050 0.000 1.040 882 V CA -0.548 61.723 62.300 -0.047 0.000 1.008 882 V CB 0.487 32.198 31.823 -0.187 0.000 0.990 882 V HN 0.554 nan 8.190 nan 0.000 0.477 883 K N 3.293 123.729 120.400 0.060 0.000 2.414 883 K HA 0.053 4.378 4.320 0.009 0.000 0.272 883 K C 0.405 177.097 176.600 0.153 0.000 0.993 883 K CA 0.163 56.517 56.287 0.112 0.000 0.964 883 K CB 0.075 32.635 32.500 0.099 0.000 0.925 883 K HN 0.779 nan 8.250 nan 0.000 0.487 884 D N -0.830 119.682 120.400 0.187 0.000 2.689 884 D HA -0.209 4.436 4.640 0.009 0.000 0.237 884 D C -0.652 175.816 176.300 0.280 0.000 1.148 884 D CA 1.201 55.330 54.000 0.214 0.000 0.656 884 D CB -1.089 39.814 40.800 0.172 0.000 1.050 884 D HN 0.579 nan 8.370 nan 0.000 0.426 885 A N -0.340 122.656 122.820 0.293 0.000 2.365 885 A HA 0.782 5.107 4.320 0.009 0.000 0.318 885 A C 0.122 177.857 177.584 0.253 0.000 1.091 885 A CA -0.312 51.920 52.037 0.324 0.000 0.763 885 A CB 2.455 21.694 19.000 0.398 0.000 1.248 885 A HN 0.063 nan 8.150 nan 0.000 0.442 886 T N 0.437 115.080 114.554 0.149 0.000 2.900 886 T HA 0.647 5.002 4.350 0.009 0.000 0.303 886 T C 0.024 174.641 174.700 -0.139 0.000 1.142 886 T CA 0.215 62.322 62.100 0.012 0.000 1.007 886 T CB 1.204 70.068 68.868 -0.006 0.000 1.156 886 T HN 1.219 nan 8.240 nan 0.000 0.490 887 T N 2.196 116.664 114.554 -0.143 0.000 2.868 887 T HA 0.346 4.702 4.350 0.009 0.000 0.292 887 T C 1.694 176.270 174.700 -0.206 0.000 1.028 887 T CA -0.856 61.131 62.100 -0.188 0.000 1.059 887 T CB 0.399 69.180 68.868 -0.145 0.000 0.991 887 T HN 0.404 nan 8.240 nan 0.000 0.531 888 I N 1.214 121.683 120.570 -0.168 0.000 2.493 888 I HA -0.051 4.125 4.170 0.009 0.000 0.254 888 I C 2.724 178.811 176.117 -0.050 0.000 1.160 888 I CA 1.213 62.464 61.300 -0.082 0.000 1.445 888 I CB -2.017 36.017 38.000 0.058 0.000 1.086 888 I HN 0.906 nan 8.210 nan 0.000 0.433 889 A N 0.764 123.544 122.820 -0.066 0.000 1.897 889 A HA -0.206 4.120 4.320 0.009 0.000 0.215 889 A C 2.331 179.908 177.584 -0.012 0.000 1.181 889 A CA 1.570 53.608 52.037 0.002 0.000 0.620 889 A CB -0.383 18.621 19.000 0.007 0.000 0.821 889 A HN 0.253 nan 8.150 nan 0.000 0.443 890 K N 0.396 120.762 120.400 -0.056 0.000 2.147 890 K HA 0.005 4.330 4.320 0.009 0.000 0.205 890 K C 1.541 178.091 176.600 -0.084 0.000 1.049 890 K CA 1.361 57.613 56.287 -0.058 0.000 0.936 890 K CB -0.525 31.938 32.500 -0.061 0.000 0.722 890 K HN 0.526 nan 8.250 nan 0.000 0.446 891 I N 0.593 121.067 120.570 -0.160 0.000 2.163 891 I HA -0.295 3.880 4.170 0.009 0.000 0.240 891 I C 2.328 178.405 176.117 -0.066 0.000 1.081 891 I CA 1.230 62.407 61.300 -0.204 0.000 1.353 891 I CB -0.360 37.397 38.000 -0.405 0.000 1.054 891 I HN 0.270 nan 8.210 nan 0.000 0.407 892 Q N 0.363 120.148 119.800 -0.026 0.000 2.181 892 Q HA -0.299 4.046 4.340 0.009 0.000 0.205 892 Q C 2.104 178.061 176.000 -0.073 0.000 0.980 892 Q CA 1.514 57.313 55.803 -0.006 0.000 0.862 892 Q CB -0.392 28.402 28.738 0.094 0.000 0.905 892 Q HN 0.604 nan 8.270 nan 0.000 0.429 893 Q N 0.779 120.541 119.800 -0.064 0.000 2.234 893 Q HA -0.092 4.254 4.340 0.009 0.000 0.206 893 Q C 0.444 176.404 176.000 -0.067 0.000 0.980 893 Q CA 0.383 56.140 55.803 -0.077 0.000 0.869 893 Q CB 0.186 28.900 28.738 -0.040 0.000 0.912 893 Q HN 0.180 nan 8.270 nan 0.000 0.436 901 A N 0.442 122.774 122.820 -0.814 0.000 2.388 901 A HA 0.852 5.177 4.320 0.009 0.000 0.257 901 A C -0.754 176.219 177.584 -1.018 0.000 1.095 901 A CA 0.087 51.723 52.037 -0.669 0.000 0.791 901 A CB 0.392 19.154 19.000 -0.396 0.000 1.029 901 A HN 0.510 nan 8.150 nan 0.000 0.489 902 F N 1.542 121.163 119.950 -0.548 0.000 2.540 902 F HA 0.442 4.974 4.527 0.009 0.000 0.317 902 F C 0.432 175.823 175.800 -0.681 0.000 1.104 902 F CA -0.729 56.776 58.000 -0.825 0.000 0.913 902 F CB 2.301 40.279 39.000 -1.703 0.000 1.170 902 F HN 0.354 nan 8.300 nan 0.000 0.450 903 K N 1.539 121.795 120.400 -0.241 0.000 2.203 903 K HA 0.296 4.621 4.320 0.009 0.000 0.251 903 K C -0.426 176.212 176.600 0.063 0.000 0.944 903 K CA -0.609 55.615 56.287 -0.106 0.000 0.829 903 K CB 2.028 34.468 32.500 -0.101 0.000 1.125 903 K HN 0.523 nan 8.250 nan 0.000 0.430 904 D N 1.399 121.837 120.400 0.063 0.000 2.183 904 D HA -0.071 4.575 4.640 0.009 0.000 0.205 904 D C 0.960 177.104 176.300 -0.260 0.000 0.962 904 D CA 1.293 55.340 54.000 0.078 0.000 0.849 904 D CB 0.389 41.208 40.800 0.033 0.000 0.978 904 D HN 0.522 nan 8.370 nan 0.000 0.488 905 E N -0.097 119.825 120.200 -0.464 0.000 2.385 905 E HA 0.022 4.377 4.350 0.009 0.000 0.194 905 E C 2.018 178.709 176.600 0.153 0.000 1.013 905 E CA -0.052 55.962 56.400 -0.644 0.000 0.866 905 E CB 0.143 29.593 29.700 -0.416 0.000 0.832 905 E HN -0.029 nan 8.360 nan 0.000 0.500 906 V N 1.076 121.066 119.914 0.127 0.000 2.370 906 V HA -0.284 3.841 4.120 0.009 0.000 0.252 906 V C 2.076 178.347 176.094 0.294 0.000 1.068 906 V CA 1.676 64.084 62.300 0.180 0.000 1.061 906 V CB -0.339 31.529 31.823 0.077 0.000 0.656 906 V HN 0.285 nan 8.190 nan 0.000 0.455 907 L N 0.472 121.863 121.223 0.279 0.000 2.023 907 L HA -0.086 4.259 4.340 0.009 0.000 0.205 907 L C 2.181 179.251 176.870 0.332 0.000 1.073 907 L CA 2.251 57.266 54.840 0.290 0.000 0.745 907 L CB -1.014 41.204 42.059 0.265 0.000 0.900 907 L HN 0.372 nan 8.230 nan 0.000 0.435 908 N N -0.927 117.981 118.700 0.346 0.000 2.104 908 N HA -0.250 4.496 4.740 0.009 0.000 0.190 908 N C 1.905 177.600 175.510 0.308 0.000 1.024 908 N CA 1.814 55.068 53.050 0.339 0.000 0.853 908 N CB -0.177 38.607 38.487 0.495 0.000 1.008 908 N HN 0.561 nan 8.380 nan 0.000 0.424 909 H N -2.193 117.048 119.070 0.285 0.000 2.319 909 H HA -0.106 4.455 4.556 0.009 0.000 0.299 909 H C 1.405 176.863 175.328 0.216 0.000 1.092 909 H CA 2.095 58.262 56.048 0.198 0.000 1.302 909 H CB -0.359 29.492 29.762 0.148 0.000 1.373 909 H HN 0.398 nan 8.280 nan 0.000 0.497 910 W N 0.735 122.169 121.300 0.223 0.000 2.374 910 W HA -0.120 4.545 4.660 0.008 0.000 0.288 910 W C 1.636 178.245 176.519 0.150 0.000 1.218 910 W CA 1.101 58.539 57.345 0.156 0.000 1.245 910 W CB -0.206 29.333 29.460 0.132 0.000 1.126 910 W HN 0.127 nan 8.180 nan 0.000 0.545 911 L N 0.331 121.752 121.223 0.330 0.000 2.044 911 L HA -0.192 4.154 4.340 0.009 0.000 0.205 911 L C 2.522 179.525 176.870 0.223 0.000 1.075 911 L CA 1.524 56.506 54.840 0.235 0.000 0.747 911 L CB -0.762 41.476 42.059 0.299 0.000 0.903 911 L HN -0.139 nan 8.230 nan 0.000 0.435 912 K N 0.009 120.542 120.400 0.222 0.000 2.020 912 K HA -0.297 4.028 4.320 0.009 0.000 0.212 912 K C 1.950 178.505 176.600 -0.074 0.000 1.050 912 K CA 2.028 58.265 56.287 -0.083 0.000 0.929 912 K CB -0.275 32.052 32.500 -0.288 0.000 0.714 912 K HN 0.288 nan 8.250 nan 0.000 0.443 913 E N 1.030 121.182 120.200 -0.081 0.000 2.086 913 E HA -0.264 4.092 4.350 0.009 0.000 0.200 913 E C 1.655 178.144 176.600 -0.185 0.000 1.012 913 E CA 1.521 57.842 56.400 -0.132 0.000 0.812 913 E CB 0.202 29.805 29.700 -0.163 0.000 0.743 913 E HN 0.082 nan 8.360 nan 0.000 0.453 914 K N 0.463 120.690 120.400 -0.288 0.000 2.243 914 K HA 0.012 4.338 4.320 0.009 0.000 0.201 914 K C 1.020 177.547 176.600 -0.122 0.000 1.051 914 K CA 0.634 56.746 56.287 -0.290 0.000 0.970 914 K CB 0.209 32.380 32.500 -0.548 0.000 0.755 914 K HN 0.147 nan 8.250 nan 0.000 0.465 915 S N 1.954 117.631 115.700 -0.037 0.000 2.448 915 S HA 0.211 4.686 4.470 0.009 0.000 0.279 915 S C -2.092 172.514 174.600 0.009 0.000 1.195 915 S CA -1.164 57.057 58.200 0.035 0.000 1.051 915 S CB 1.428 64.728 63.200 0.167 0.000 0.948 915 S HN -0.139 nan 8.310 nan 0.000 0.493 916 P HA 0.004 nan 4.420 nan 0.000 0.217 916 P C 1.047 178.347 177.300 -0.000 0.000 1.151 916 P CA 1.131 64.227 63.100 -0.007 0.000 0.828 916 P CB -0.039 31.659 31.700 -0.002 0.000 0.788 917 T N -3.807 110.760 114.554 0.022 0.000 2.780 917 T HA 0.390 4.745 4.350 0.009 0.000 0.263 917 T C 0.977 175.706 174.700 0.050 0.000 0.993 917 T CA -0.333 61.783 62.100 0.025 0.000 1.010 917 T CB 1.321 70.207 68.868 0.030 0.000 1.642 917 T HN -0.220 nan 8.240 nan 0.000 0.587 918 E N -0.222 120.014 120.200 0.059 0.000 2.290 918 E HA 0.076 4.432 4.350 0.009 0.000 0.199 918 E C 2.009 178.695 176.600 0.142 0.000 0.912 918 E CA 0.897 57.358 56.400 0.101 0.000 0.924 918 E CB -0.124 29.610 29.700 0.058 0.000 0.901 918 E HN 0.825 nan 8.360 nan 0.000 0.487 919 E N 0.875 121.130 120.200 0.090 0.000 2.118 919 E HA -0.252 4.103 4.350 0.009 0.000 0.195 919 E C 1.716 178.364 176.600 0.081 0.000 0.992 919 E CA 1.245 57.692 56.400 0.077 0.000 0.804 919 E CB -0.165 29.566 29.700 0.051 0.000 0.741 919 E HN 0.104 nan 8.360 nan 0.000 0.458 920 K N -0.015 120.439 120.400 0.090 0.000 2.044 920 K HA -0.040 4.285 4.320 0.009 0.000 0.204 920 K C 2.029 178.688 176.600 0.098 0.000 1.049 920 K CA 1.054 57.387 56.287 0.078 0.000 0.945 920 K CB -0.333 32.206 32.500 0.066 0.000 0.724 920 K HN 0.082 nan 8.250 nan 0.000 0.440 921 F N 2.946 122.897 119.950 0.000 0.000 2.091 921 F HA -0.285 4.247 4.527 0.009 0.000 0.299 921 F C 2.273 178.076 175.800 0.006 0.000 1.103 921 F CA 1.646 59.643 58.000 -0.005 0.000 1.228 921 F CB -0.057 38.933 39.000 -0.016 0.000 0.984 921 F HN 0.003 nan 8.300 nan 0.000 0.477 922 Q N 0.348 120.160 119.800 0.020 0.000 2.167 922 Q HA -0.078 4.267 4.340 0.009 0.000 0.202 922 Q C 2.442 178.400 176.000 -0.070 0.000 0.970 922 Q CA 1.435 57.204 55.803 -0.056 0.000 0.855 922 Q CB -0.930 27.868 28.738 0.101 0.000 0.911 922 Q HN 0.575 nan 8.270 nan 0.000 0.438 923 A N 0.293 123.099 122.820 -0.024 0.000 2.016 923 A HA 0.132 4.457 4.320 0.009 0.000 0.217 923 A C 2.175 179.746 177.584 -0.023 0.000 1.162 923 A CA 1.257 53.292 52.037 -0.004 0.000 0.662 923 A CB -0.249 18.760 19.000 0.014 0.000 0.812 923 A HN 0.308 nan 8.150 nan 0.000 0.450 924 A N -0.663 122.112 122.820 -0.074 0.000 1.970 924 A HA 0.126 4.452 4.320 0.009 0.000 0.216 924 A C 2.039 179.558 177.584 -0.107 0.000 1.170 924 A CA 1.382 53.383 52.037 -0.060 0.000 0.645 924 A CB -0.576 18.387 19.000 -0.061 0.000 0.816 924 A HN 0.302 nan 8.150 nan 0.000 0.447 925 V N 0.008 119.735 119.914 -0.311 0.000 2.809 925 V HA -0.191 3.934 4.120 0.009 0.000 0.256 925 V C 2.360 178.365 176.094 -0.149 0.000 1.080 925 V CA 2.094 64.172 62.300 -0.371 0.000 1.102 925 V CB -0.387 31.033 31.823 -0.673 0.000 0.705 925 V HN 0.729 nan 8.190 nan 0.000 0.475 926 E N 0.267 120.448 120.200 -0.032 0.000 2.033 926 E HA -0.226 4.129 4.350 0.009 0.000 0.189 926 E C 2.389 179.125 176.600 0.228 0.000 0.979 926 E CA 0.793 57.274 56.400 0.134 0.000 0.802 926 E CB -0.023 29.775 29.700 0.164 0.000 0.763 926 E HN 0.332 nan 8.360 nan 0.000 0.449 927 R N 0.557 121.145 120.500 0.148 0.000 2.113 927 R HA -0.218 4.127 4.340 0.009 0.000 0.244 927 R C 2.068 178.480 176.300 0.186 0.000 1.142 927 R CA 1.987 58.175 56.100 0.146 0.000 0.953 927 R CB -1.242 29.116 30.300 0.098 0.000 0.860 927 R HN 0.313 nan 8.270 nan 0.000 0.438 928 F N -0.242 119.721 119.950 0.021 0.000 2.126 928 F HA -0.177 4.355 4.527 0.009 0.000 0.299 928 F C 2.003 177.806 175.800 0.004 0.000 1.096 928 F CA 1.786 59.778 58.000 -0.014 0.000 1.255 928 F CB -0.422 38.523 39.000 -0.093 0.000 0.997 928 F HN -0.083 nan 8.300 nan 0.000 0.479 929 V N -0.729 119.273 119.914 0.146 0.000 2.515 929 V HA -0.299 3.826 4.120 0.009 0.000 0.250 929 V C 1.915 177.995 176.094 -0.023 0.000 1.058 929 V CA 1.961 64.299 62.300 0.063 0.000 1.064 929 V CB -0.756 31.121 31.823 0.090 0.000 0.675 929 V HN 0.417 nan 8.190 nan 0.000 0.461 930 Y N 0.742 121.029 120.300 -0.022 0.000 2.176 930 Y HA -0.174 4.381 4.550 0.009 0.000 0.291 930 Y C 2.892 178.727 175.900 -0.109 0.000 1.122 930 Y CA 1.709 59.754 58.100 -0.091 0.000 1.128 930 Y CB -0.462 37.931 38.460 -0.112 0.000 1.005 930 Y HN 0.374 nan 8.280 nan 0.000 0.509 931 S N -1.346 114.417 115.700 0.104 0.000 2.399 931 S HA -0.268 4.207 4.470 0.009 0.000 0.231 931 S C 2.130 176.801 174.600 0.118 0.000 1.022 931 S CA 1.172 59.443 58.200 0.119 0.000 0.983 931 S CB -1.352 61.956 63.200 0.179 0.000 0.803 931 S HN 0.591 nan 8.310 nan 0.000 0.480 932 C N 1.945 121.186 119.300 -0.099 0.000 2.453 932 C HA 0.257 4.722 4.460 0.009 0.000 0.277 932 C C 3.167 178.230 174.990 0.122 0.000 1.262 932 C CA 0.815 59.761 59.018 -0.120 0.000 1.718 932 C CB -1.676 25.759 27.740 -0.507 0.000 2.031 932 C HN 0.702 nan 8.230 nan 0.000 0.480 933 A N 0.282 123.167 122.820 0.108 0.000 1.930 933 A HA 0.118 4.443 4.320 0.009 0.000 0.217 933 A C 2.429 179.909 177.584 -0.173 0.000 1.175 933 A CA 1.996 53.987 52.037 -0.077 0.000 0.627 933 A CB -1.379 17.381 19.000 -0.399 0.000 0.815 933 A HN 0.689 nan 8.150 nan 0.000 0.443 934 G N -1.571 107.127 108.800 -0.170 0.000 2.418 934 G HA2 -0.229 3.737 3.960 0.009 0.000 0.217 934 G HA3 -0.229 3.737 3.960 0.009 0.000 0.217 934 G C 1.461 176.313 174.900 -0.079 0.000 1.158 934 G CA 1.228 46.195 45.100 -0.221 0.000 0.771 934 G HN 0.582 nan 8.290 nan 0.000 0.545 935 Y N -0.143 120.172 120.300 0.026 0.000 2.395 935 Y HA -0.015 4.540 4.550 0.009 0.000 0.293 935 Y C 3.026 178.903 175.900 -0.037 0.000 1.123 935 Y CA 0.428 58.513 58.100 -0.025 0.000 1.227 935 Y CB -0.095 38.299 38.460 -0.111 0.000 1.012 935 Y HN 0.220 nan 8.280 nan 0.000 0.552 936 C N -1.191 118.146 119.300 0.063 0.000 2.446 936 C HA -0.114 4.352 4.460 0.009 0.000 0.277 936 C C 2.661 177.567 174.990 -0.140 0.000 1.275 936 C CA 0.822 59.694 59.018 -0.244 0.000 1.727 936 C CB -0.994 26.386 27.740 -0.600 0.000 2.010 936 C HN 0.330 nan 8.230 nan 0.000 0.486 937 V N 1.465 121.388 119.914 0.014 0.000 2.323 937 V HA -0.145 3.980 4.120 0.009 0.000 0.244 937 V C 2.713 179.003 176.094 0.327 0.000 1.041 937 V CA 2.110 64.529 62.300 0.198 0.000 1.025 937 V CB -1.417 30.448 31.823 0.070 0.000 0.656 937 V HN 0.571 nan 8.190 nan 0.000 0.451 938 A N 1.306 124.278 122.820 0.253 0.000 1.841 938 A HA -0.289 4.036 4.320 0.009 0.000 0.216 938 A C 2.557 180.257 177.584 0.194 0.000 1.199 938 A CA 3.219 55.356 52.037 0.166 0.000 0.621 938 A CB -1.413 17.615 19.000 0.047 0.000 0.835 938 A HN 0.631 nan 8.150 nan 0.000 0.445 939 T N -2.948 111.738 114.554 0.220 0.000 2.737 939 T HA -0.236 4.119 4.350 0.009 0.000 0.269 939 T C 1.707 176.628 174.700 0.369 0.000 1.040 939 T CA 1.764 64.030 62.100 0.276 0.000 1.142 939 T CB -0.624 68.430 68.868 0.310 0.000 0.861 939 T HN 0.360 nan 8.240 nan 0.000 0.456 940 F N 2.259 122.401 119.950 0.319 0.000 2.095 940 F HA -0.051 4.481 4.527 0.009 0.000 0.298 940 F C 2.343 178.382 175.800 0.399 0.000 1.104 940 F CA 1.020 59.269 58.000 0.416 0.000 1.232 940 F CB -0.671 38.615 39.000 0.476 0.000 0.987 940 F HN 0.025 nan 8.300 nan 0.000 0.475 941 V N 0.753 120.850 119.914 0.305 0.000 2.407 941 V HA -0.274 3.852 4.120 0.009 0.000 0.248 941 V C 2.168 178.299 176.094 0.062 0.000 1.055 941 V CA 1.785 64.159 62.300 0.124 0.000 1.049 941 V CB -0.661 31.253 31.823 0.152 0.000 0.662 941 V HN 0.353 nan 8.190 nan 0.000 0.455 942 L N 0.389 121.682 121.223 0.118 0.000 2.611 942 L HA 0.322 4.668 4.340 0.009 0.000 0.229 942 L C 1.540 178.476 176.870 0.109 0.000 1.137 942 L CA 0.555 55.474 54.840 0.131 0.000 0.901 942 L CB -0.653 41.486 42.059 0.134 0.000 1.098 942 L HN 0.521 nan 8.230 nan 0.000 0.456 943 G N 2.289 111.127 108.800 0.062 0.000 2.356 943 G HA2 -0.291 3.674 3.960 0.009 0.000 0.296 943 G HA3 -0.291 3.674 3.960 0.009 0.000 0.296 943 G C 0.529 175.413 174.900 -0.027 0.000 1.022 943 G CA 0.816 45.767 45.100 -0.248 0.000 0.961 943 G HN 0.687 nan 8.290 nan 0.000 0.510 944 I N -3.981 116.680 120.570 0.152 0.000 3.621 944 I HA 0.526 4.701 4.170 0.009 0.000 0.325 944 I C 1.302 177.612 176.117 0.322 0.000 1.554 944 I CA 0.022 61.455 61.300 0.222 0.000 1.053 944 I CB 0.236 38.391 38.000 0.258 0.000 1.302 944 I HN 0.025 nan 8.210 nan 0.000 0.518 945 G N 0.624 109.637 108.800 0.354 0.000 2.426 945 G HA2 -0.149 3.816 3.960 0.009 0.000 0.214 945 G HA3 -0.149 3.816 3.960 0.009 0.000 0.214 945 G C 0.582 175.718 174.900 0.393 0.000 1.156 945 G CA 0.305 45.680 45.100 0.458 0.000 0.802 945 G HN 0.422 nan 8.290 nan 0.000 0.534 946 D N 1.398 121.988 120.400 0.317 0.000 2.489 946 D HA 0.092 4.737 4.640 0.009 0.000 0.237 946 D C 0.119 176.519 176.300 0.167 0.000 1.212 946 D CA 0.006 54.187 54.000 0.301 0.000 1.058 946 D CB -0.052 40.965 40.800 0.363 0.000 1.098 946 D HN -0.010 nan 8.370 nan 0.000 0.509 947 R N 1.485 122.022 120.500 0.063 0.000 2.732 947 R HA 0.252 4.597 4.340 0.009 0.000 0.278 947 R C 0.351 176.453 176.300 -0.330 0.000 0.976 947 R CA -0.753 55.239 56.100 -0.180 0.000 0.963 947 R CB 0.946 31.180 30.300 -0.109 0.000 1.150 947 R HN 0.479 nan 8.270 nan 0.000 0.478 948 H N 2.533 121.221 119.070 -0.637 0.000 2.652 948 H HA -0.005 4.556 4.556 0.009 0.000 0.349 948 H C 0.668 175.862 175.328 -0.223 0.000 1.099 948 H CA -0.050 55.744 56.048 -0.423 0.000 1.417 948 H CB 1.082 30.609 29.762 -0.390 0.000 1.457 948 H HN 0.546 nan 8.280 nan 0.000 0.568 949 N N 3.060 121.348 118.700 -0.686 0.000 2.609 949 N HA -0.184 4.561 4.740 0.009 0.000 0.190 949 N C 0.841 176.099 175.510 -0.420 0.000 1.157 949 N CA 0.817 53.592 53.050 -0.458 0.000 0.918 949 N CB -0.200 38.105 38.487 -0.303 0.000 0.978 949 N HN 0.597 nan 8.380 nan 0.000 0.448 950 D N 0.460 120.544 120.400 -0.527 0.000 2.264 950 D HA -0.079 4.567 4.640 0.009 0.000 0.208 950 D C 0.479 176.661 176.300 -0.198 0.000 0.966 950 D CA 0.710 54.602 54.000 -0.179 0.000 0.864 950 D CB -0.222 40.652 40.800 0.125 0.000 0.933 950 D HN 0.191 nan 8.370 nan 0.000 0.499 951 N N -0.286 118.258 118.700 -0.260 0.000 2.270 951 N HA 0.133 4.878 4.740 0.009 0.000 0.198 951 N C -0.273 174.989 175.510 -0.414 0.000 1.117 951 N CA 0.028 52.896 53.050 -0.304 0.000 0.845 951 N CB 1.175 39.492 38.487 -0.282 0.000 0.980 951 N HN 0.319 nan 8.380 nan 0.000 0.486 952 I N 0.946 121.266 120.570 -0.417 0.000 2.433 952 I HA 0.354 4.529 4.170 0.009 0.000 0.292 952 I C -0.052 175.807 176.117 -0.431 0.000 1.001 952 I CA -0.396 60.611 61.300 -0.489 0.000 1.119 952 I CB 1.678 39.441 38.000 -0.396 0.000 1.289 952 I HN -0.308 nan 8.210 nan 0.000 0.438 953 M N 5.983 125.191 119.600 -0.653 0.000 2.796 953 M HA 0.645 5.130 4.480 0.009 0.000 0.303 953 M C -0.989 175.045 176.300 -0.443 0.000 1.240 953 M CA -0.894 54.011 55.300 -0.658 0.000 0.831 953 M CB 3.287 35.262 32.600 -1.042 0.000 1.750 953 M HN 0.469 nan 8.290 nan 0.000 0.484 954 I N 0.484 120.973 120.570 -0.135 0.000 2.722 954 I HA 0.355 4.530 4.170 0.009 0.000 0.292 954 I C -0.507 175.806 176.117 0.325 0.000 1.267 954 I CA -0.299 61.087 61.300 0.143 0.000 1.036 954 I CB 2.449 40.494 38.000 0.074 0.000 1.281 954 I HN 0.854 nan 8.210 nan 0.000 0.423 955 T N 1.293 116.100 114.554 0.421 0.000 2.874 955 T HA 0.330 4.686 4.350 0.009 0.000 0.281 955 T C 0.804 175.765 174.700 0.435 0.000 0.994 955 T CA -0.378 61.954 62.100 0.388 0.000 1.015 955 T CB 1.493 70.523 68.868 0.270 0.000 1.028 955 T HN 0.713 nan 8.240 nan 0.000 0.523 956 E N 0.429 120.850 120.200 0.369 0.000 2.209 956 E HA -0.103 4.253 4.350 0.009 0.000 0.196 956 E C 1.654 178.342 176.600 0.146 0.000 0.993 956 E CA 1.516 58.049 56.400 0.222 0.000 0.819 956 E CB -0.215 29.533 29.700 0.080 0.000 0.745 956 E HN 0.903 nan 8.360 nan 0.000 0.477 957 T N -2.837 111.811 114.554 0.156 0.000 3.272 957 T HA 0.300 4.655 4.350 0.009 0.000 0.250 957 T C 1.291 176.074 174.700 0.137 0.000 1.082 957 T CA 0.229 62.395 62.100 0.111 0.000 0.968 957 T CB 0.548 69.465 68.868 0.082 0.000 1.015 957 T HN 0.243 nan 8.240 nan 0.000 0.563 958 G N 1.499 110.429 108.800 0.216 0.000 2.157 958 G HA2 -0.266 3.700 3.960 0.009 0.000 0.248 958 G HA3 -0.266 3.700 3.960 0.009 0.000 0.248 958 G C 0.008 175.079 174.900 0.284 0.000 0.979 958 G CA -0.239 45.013 45.100 0.253 0.000 0.650 958 G HN 0.642 nan 8.290 nan 0.000 0.529 959 N N 0.536 119.387 118.700 0.250 0.000 2.405 959 N HA 0.399 5.145 4.740 0.009 0.000 0.260 959 N C 0.220 175.930 175.510 0.334 0.000 1.152 959 N CA -0.195 53.002 53.050 0.246 0.000 0.948 959 N CB 0.704 39.305 38.487 0.190 0.000 1.111 959 N HN 0.446 nan 8.380 nan 0.000 0.485 960 L N 5.152 126.520 121.223 0.241 0.000 2.375 960 L HA 0.586 4.931 4.340 0.009 0.000 0.271 960 L C -0.805 176.233 176.870 0.278 0.000 1.107 960 L CA -0.274 54.657 54.840 0.151 0.000 0.806 960 L CB 0.227 42.185 42.059 -0.169 0.000 1.146 960 L HN 0.498 nan 8.230 nan 0.000 0.447 961 F N 1.341 121.185 119.950 -0.176 0.000 2.669 961 F HA 0.431 4.963 4.527 0.009 0.000 0.315 961 F C -0.960 174.668 175.800 -0.287 0.000 1.109 961 F CA -0.948 56.761 58.000 -0.486 0.000 1.028 961 F CB 0.530 39.546 39.000 0.026 0.000 1.287 961 F HN 0.501 nan 8.300 nan 0.000 0.452 962 H N 3.624 122.307 119.070 -0.644 0.000 2.603 962 H HA 0.769 5.330 4.556 0.009 0.000 0.370 962 H C -0.114 175.085 175.328 -0.216 0.000 1.225 962 H CA -0.125 55.725 56.048 -0.330 0.000 1.410 962 H CB 2.111 31.840 29.762 -0.055 0.000 1.495 962 H HN 0.785 nan 8.280 nan 0.000 0.602 963 I N -2.063 118.282 120.570 -0.374 0.000 3.095 963 I HA 0.281 4.456 4.170 0.009 0.000 0.310 963 I C -0.962 174.824 176.117 -0.552 0.000 1.196 963 I CA -1.101 59.985 61.300 -0.357 0.000 0.985 963 I CB 2.358 40.189 38.000 -0.281 0.000 1.250 963 I HN 0.543 nan 8.210 nan 0.000 0.446 964 D N 2.144 122.361 120.400 -0.304 0.000 3.278 964 D HA -0.221 4.424 4.640 0.009 0.000 0.233 964 D C -0.398 175.798 176.300 -0.174 0.000 1.149 964 D CA 0.874 54.781 54.000 -0.156 0.000 0.957 964 D CB -0.790 39.930 40.800 -0.134 0.000 0.913 964 D HN 0.595 nan 8.370 nan 0.000 0.409 965 F N -0.298 119.751 119.950 0.165 0.000 2.776 965 F HA 0.272 4.805 4.527 0.009 0.000 0.300 965 F C 2.463 178.327 175.800 0.106 0.000 1.116 965 F CA 0.313 58.396 58.000 0.139 0.000 1.375 965 F CB 0.424 39.499 39.000 0.125 0.000 1.109 965 F HN 0.359 nan 8.300 nan 0.000 0.585 966 G N -1.126 107.817 108.800 0.239 0.000 2.494 966 G HA2 -0.222 3.744 3.960 0.009 0.000 0.216 966 G HA3 -0.222 3.744 3.960 0.009 0.000 0.216 966 G C 1.297 176.276 174.900 0.131 0.000 1.140 966 G CA 0.434 45.628 45.100 0.157 0.000 0.801 966 G HN 0.365 nan 8.290 nan 0.000 0.536 967 H N 0.160 119.258 119.070 0.048 0.000 2.353 967 H HA 0.110 4.671 4.556 0.009 0.000 0.300 967 H C 2.089 177.431 175.328 0.022 0.000 1.090 967 H CA 1.471 57.530 56.048 0.018 0.000 1.327 967 H CB -0.062 29.690 29.762 -0.017 0.000 1.383 967 H HN 0.277 nan 8.280 nan 0.000 0.508 968 I N -0.056 120.573 120.570 0.099 0.000 3.578 968 I HA -0.026 4.149 4.170 0.009 0.000 0.295 968 I C 0.628 176.774 176.117 0.048 0.000 1.280 968 I CA 0.390 61.721 61.300 0.052 0.000 1.347 968 I CB 0.212 38.274 38.000 0.104 0.000 1.051 968 I HN 0.281 nan 8.210 nan 0.000 0.460 969 L N 0.288 121.544 121.223 0.055 0.000 2.607 969 L HA 0.326 4.671 4.340 0.009 0.000 0.228 969 L C 1.066 177.938 176.870 0.003 0.000 1.123 969 L CA -0.175 54.687 54.840 0.036 0.000 0.890 969 L CB 0.087 42.178 42.059 0.054 0.000 1.103 969 L HN 0.203 nan 8.230 nan 0.000 0.468 983 V N 3.511 123.471 119.914 0.077 0.000 2.789 983 V HA 0.478 4.603 4.120 0.009 0.000 0.311 983 V C -1.766 174.345 176.094 0.028 0.000 1.073 983 V CA -2.016 60.286 62.300 0.002 0.000 0.921 983 V CB 2.475 34.297 31.823 -0.003 0.000 1.009 983 V HN 0.696 nan 8.190 nan 0.000 0.426 984 P HA 0.056 nan 4.420 nan 0.000 0.222 984 P C -0.335 177.100 177.300 0.225 0.000 1.153 984 P CA 1.145 64.273 63.100 0.047 0.000 0.798 984 P CB 0.038 31.605 31.700 -0.222 0.000 0.796 985 F N -4.902 115.163 119.950 0.192 0.000 2.807 985 F HA 0.398 4.931 4.527 0.009 0.000 0.316 985 F C -1.151 174.754 175.800 0.174 0.000 1.162 985 F CA -1.754 56.386 58.000 0.233 0.000 0.910 985 F CB 0.383 39.546 39.000 0.271 0.000 1.314 985 F HN -0.506 nan 8.300 nan 0.000 0.454 986 V N 2.644 122.847 119.914 0.481 0.000 2.352 986 V HA 0.284 4.409 4.120 0.009 0.000 0.253 986 V C -0.488 175.793 176.094 0.313 0.000 1.083 986 V CA 0.093 62.545 62.300 0.254 0.000 0.993 986 V CB 0.426 32.355 31.823 0.176 0.000 1.111 986 V HN 0.589 nan 8.190 nan 0.000 0.490 987 L N 6.888 128.197 121.223 0.144 0.000 2.556 987 L HA 0.439 4.785 4.340 0.009 0.000 0.243 987 L C 0.675 177.429 176.870 -0.193 0.000 1.331 987 L CA 0.054 54.975 54.840 0.136 0.000 0.927 987 L CB 1.004 43.240 42.059 0.295 0.000 1.219 987 L HN 0.705 nan 8.230 nan 0.000 0.490 988 T N -0.135 114.085 114.554 -0.556 0.000 2.904 988 T HA 0.397 4.752 4.350 0.009 0.000 0.290 988 T C -1.746 172.542 174.700 -0.687 0.000 1.018 988 T CA -1.550 60.044 62.100 -0.843 0.000 1.075 988 T CB 0.850 68.985 68.868 -1.221 0.000 0.986 988 T HN 0.163 nan 8.240 nan 0.000 0.523 989 P HA -0.273 nan 4.420 nan 0.000 0.219 989 P C 1.438 178.708 177.300 -0.049 0.000 1.161 989 P CA 1.802 64.665 63.100 -0.396 0.000 0.909 989 P CB -0.086 31.326 31.700 -0.481 0.000 0.793 990 D N -1.427 118.981 120.400 0.012 0.000 2.158 990 D HA -0.213 4.432 4.640 0.009 0.000 0.197 990 D C 1.745 178.311 176.300 0.443 0.000 0.995 990 D CA 1.415 55.600 54.000 0.308 0.000 0.846 990 D CB -1.357 39.697 40.800 0.423 0.000 0.941 990 D HN 0.143 nan 8.370 nan 0.000 0.456 991 F N 0.653 120.686 119.950 0.139 0.000 2.146 991 F HA 0.117 4.649 4.527 0.009 0.000 0.298 991 F C 2.560 178.471 175.800 0.185 0.000 1.096 991 F CA 0.022 58.201 58.000 0.298 0.000 1.275 991 F CB -1.032 38.135 39.000 0.278 0.000 1.008 991 F HN -0.027 nan 8.300 nan 0.000 0.480 992 L N -1.533 119.847 121.223 0.261 0.000 2.093 992 L HA -0.221 4.124 4.340 0.009 0.000 0.208 992 L C 2.462 179.400 176.870 0.115 0.000 1.085 992 L CA 0.969 55.876 54.840 0.112 0.000 0.755 992 L CB -0.760 41.288 42.059 -0.018 0.000 0.904 992 L HN 0.020 nan 8.230 nan 0.000 0.435 993 F N 0.271 120.245 119.950 0.040 0.000 2.126 993 F HA -0.231 4.301 4.527 0.009 0.000 0.299 993 F C 2.253 178.067 175.800 0.022 0.000 1.096 993 F CA 1.591 59.614 58.000 0.039 0.000 1.255 993 F CB -0.281 38.765 39.000 0.077 0.000 0.997 993 F HN -0.245 nan 8.300 nan 0.000 0.479 994 V N 0.825 120.751 119.914 0.020 0.000 2.332 994 V HA -0.363 3.762 4.120 0.009 0.000 0.248 994 V C 2.341 178.302 176.094 -0.222 0.000 1.055 994 V CA 2.331 64.512 62.300 -0.198 0.000 1.038 994 V CB -0.681 30.852 31.823 -0.484 0.000 0.651 994 V HN 0.404 nan 8.190 nan 0.000 0.450 995 M N -0.179 119.376 119.600 -0.074 0.000 2.630 995 M HA 0.168 4.654 4.480 0.009 0.000 0.254 995 M C 1.202 177.531 176.300 0.048 0.000 1.092 995 M CA 1.093 56.408 55.300 0.026 0.000 1.087 995 M CB -0.239 32.456 32.600 0.158 0.000 1.453 995 M HN 0.515 nan 8.290 nan 0.000 0.509 996 G N 2.051 110.775 108.800 -0.127 0.000 2.546 996 G HA2 -0.156 3.810 3.960 0.009 0.000 0.285 996 G HA3 -0.156 3.810 3.960 0.009 0.000 0.285 996 G C -0.457 174.382 174.900 -0.103 0.000 1.105 996 G CA -0.032 44.957 45.100 -0.185 0.000 1.189 996 G HN 0.368 nan 8.290 nan 0.000 0.534 997 T N -0.363 114.127 114.554 -0.107 0.000 2.957 997 T HA 0.699 5.054 4.350 0.009 0.000 0.336 997 T C -0.539 174.137 174.700 -0.039 0.000 1.462 997 T CA -0.137 61.900 62.100 -0.104 0.000 1.073 997 T CB 2.079 70.799 68.868 -0.245 0.000 1.319 997 T HN 0.851 nan 8.240 nan 0.000 0.485 998 S N 1.131 116.805 115.700 -0.044 0.000 2.677 998 S HA 0.721 5.197 4.470 0.009 0.000 0.283 998 S C 0.781 175.353 174.600 -0.047 0.000 1.159 998 S CA -0.119 58.081 58.200 0.001 0.000 1.001 998 S CB 1.459 64.702 63.200 0.071 0.000 1.032 998 S HN 1.448 nan 8.310 nan 0.000 0.487 999 G N 3.822 112.583 108.800 -0.065 0.000 2.634 999 G HA2 -0.305 3.660 3.960 0.009 0.000 0.309 999 G HA3 -0.305 3.660 3.960 0.009 0.000 0.309 999 G C -0.487 174.355 174.900 -0.097 0.000 1.265 999 G CA 0.104 45.161 45.100 -0.071 0.000 0.998 999 G HN 0.705 nan 8.290 nan 0.000 0.551 1000 K N 1.683 122.045 120.400 -0.064 0.000 2.095 1000 K HA 0.397 4.723 4.320 0.009 0.000 0.258 1000 K C 0.497 177.059 176.600 -0.062 0.000 1.120 1000 K CA 0.589 56.841 56.287 -0.059 0.000 1.026 1000 K CB 0.264 32.746 32.500 -0.031 0.000 1.256 1000 K HN 0.454 nan 8.250 nan 0.000 0.360 1001 K N -0.039 120.297 120.400 -0.107 0.000 2.228 1001 K HA 0.441 4.767 4.320 0.009 0.000 0.261 1001 K C -0.891 175.635 176.600 -0.123 0.000 0.941 1001 K CA -0.794 55.436 56.287 -0.094 0.000 0.792 1001 K CB 2.168 34.614 32.500 -0.090 0.000 1.495 1001 K HN 0.274 nan 8.250 nan 0.000 0.387 1002 T N -0.394 114.118 114.554 -0.070 0.000 2.775 1002 T HA 0.523 4.879 4.350 0.009 0.000 0.320 1002 T C -2.157 172.581 174.700 0.063 0.000 1.597 1002 T CA -0.283 61.836 62.100 0.031 0.000 1.022 1002 T CB 1.268 70.228 68.868 0.153 0.000 1.485 1002 T HN 0.775 nan 8.240 nan 0.000 0.494 1003 S N 1.667 117.461 115.700 0.158 0.000 2.595 1003 S HA 0.602 5.078 4.470 0.009 0.000 0.270 1003 S C -2.705 171.958 174.600 0.104 0.000 1.145 1003 S CA -0.889 57.373 58.200 0.103 0.000 0.825 1003 S CB 1.197 64.447 63.200 0.083 0.000 1.107 1003 S HN 0.457 nan 8.310 nan 0.000 0.461 1004 P HA -0.158 nan 4.420 nan 0.000 0.217 1004 P C 1.096 178.321 177.300 -0.126 0.000 1.148 1004 P CA 1.602 64.637 63.100 -0.109 0.000 0.834 1004 P CB -0.150 31.405 31.700 -0.240 0.000 0.783 1005 H N -2.731 116.392 119.070 0.088 0.000 2.355 1005 H HA 0.017 4.578 4.556 0.009 0.000 0.303 1005 H C 1.937 177.361 175.328 0.161 0.000 1.061 1005 H CA 0.881 56.987 56.048 0.096 0.000 1.368 1005 H CB -1.102 28.711 29.762 0.084 0.000 1.412 1005 H HN 0.096 nan 8.280 nan 0.000 0.523 1006 F N 2.557 122.611 119.950 0.173 0.000 2.120 1006 F HA -0.249 4.284 4.527 0.009 0.000 0.300 1006 F C 2.358 178.269 175.800 0.186 0.000 1.095 1006 F CA 1.599 59.697 58.000 0.164 0.000 1.249 1006 F CB -0.157 38.900 39.000 0.094 0.000 0.995 1006 F HN 0.098 nan 8.300 nan 0.000 0.480 1007 Q N -0.127 119.729 119.800 0.094 0.000 2.119 1007 Q HA -0.214 4.131 4.340 0.009 0.000 0.201 1007 Q C 2.256 178.213 176.000 -0.073 0.000 0.972 1007 Q CA 1.719 57.503 55.803 -0.032 0.000 0.847 1007 Q CB -0.287 28.469 28.738 0.029 0.000 0.903 1007 Q HN 0.438 nan 8.270 nan 0.000 0.433 1008 K N 0.560 120.948 120.400 -0.020 0.000 1.984 1008 K HA -0.180 4.145 4.320 0.009 0.000 0.209 1008 K C 1.905 178.429 176.600 -0.128 0.000 1.046 1008 K CA 1.260 57.510 56.287 -0.062 0.000 0.934 1008 K CB -0.232 32.261 32.500 -0.010 0.000 0.717 1008 K HN 0.145 nan 8.250 nan 0.000 0.438 1009 F N 2.192 122.018 119.950 -0.206 0.000 2.091 1009 F HA -0.289 4.244 4.527 0.009 0.000 0.299 1009 F C 2.135 177.767 175.800 -0.280 0.000 1.103 1009 F CA 1.859 59.711 58.000 -0.247 0.000 1.228 1009 F CB -0.258 38.656 39.000 -0.142 0.000 0.984 1009 F HN 0.189 nan 8.300 nan 0.000 0.477 1010 Q N -0.120 119.460 119.800 -0.365 0.000 2.124 1010 Q HA -0.214 4.131 4.340 0.009 0.000 0.202 1010 Q C 1.744 177.527 176.000 -0.360 0.000 0.977 1010 Q CA 1.749 57.294 55.803 -0.430 0.000 0.850 1010 Q CB -0.281 28.241 28.738 -0.360 0.000 0.901 1010 Q HN 0.484 nan 8.270 nan 0.000 0.429 1011 D N 0.366 120.593 120.400 -0.289 0.000 2.123 1011 D HA -0.087 4.559 4.640 0.009 0.000 0.200 1011 D C 1.845 177.972 176.300 -0.289 0.000 0.976 1011 D CA 0.875 54.737 54.000 -0.228 0.000 0.831 1011 D CB -0.140 40.566 40.800 -0.156 0.000 0.974 1011 D HN 0.241 nan 8.370 nan 0.000 0.469 1012 I N 0.455 120.797 120.570 -0.380 0.000 2.179 1012 I HA -0.294 3.881 4.170 0.009 0.000 0.242 1012 I C 2.375 178.194 176.117 -0.497 0.000 1.088 1012 I CA 0.602 61.643 61.300 -0.432 0.000 1.357 1012 I CB -0.546 37.113 38.000 -0.568 0.000 1.051 1012 I HN 0.069 nan 8.210 nan 0.000 0.409 1013 C N 0.691 119.615 119.300 -0.627 0.000 2.359 1013 C HA -0.182 4.283 4.460 0.009 0.000 0.277 1013 C C 2.954 177.574 174.990 -0.616 0.000 1.192 1013 C CA 1.164 59.764 59.018 -0.696 0.000 1.759 1013 C CB -0.897 26.419 27.740 -0.706 0.000 2.038 1013 C HN 0.392 nan 8.230 nan 0.000 0.448 1014 V N 0.895 120.541 119.914 -0.446 0.000 2.469 1014 V HA -0.251 3.874 4.120 0.009 0.000 0.251 1014 V C 2.338 178.329 176.094 -0.171 0.000 1.064 1014 V CA 1.963 64.108 62.300 -0.258 0.000 1.066 1014 V CB -0.690 31.052 31.823 -0.135 0.000 0.667 1014 V HN 0.599 nan 8.190 nan 0.000 0.461 1015 K N 0.208 120.487 120.400 -0.202 0.000 2.062 1015 K HA -0.006 4.320 4.320 0.009 0.000 0.205 1015 K C 2.384 178.900 176.600 -0.141 0.000 1.051 1015 K CA 1.266 57.469 56.287 -0.140 0.000 0.941 1015 K CB -0.378 32.037 32.500 -0.142 0.000 0.719 1015 K HN 0.461 nan 8.250 nan 0.000 0.440 1016 A N 0.996 123.651 122.820 -0.275 0.000 1.858 1016 A HA -0.221 4.104 4.320 0.009 0.000 0.216 1016 A C 2.098 179.768 177.584 0.144 0.000 1.190 1016 A CA 1.423 53.317 52.037 -0.238 0.000 0.617 1016 A CB -0.862 17.805 19.000 -0.555 0.000 0.827 1016 A HN 0.370 nan 8.150 nan 0.000 0.443 1017 Y N 0.614 120.772 120.300 -0.238 0.000 2.070 1017 Y HA -0.187 4.368 4.550 0.009 0.000 0.280 1017 Y C 2.054 177.878 175.900 -0.127 0.000 1.148 1017 Y CA 1.961 59.928 58.100 -0.222 0.000 1.125 1017 Y CB -0.540 37.600 38.460 -0.533 0.000 0.975 1017 Y HN 0.210 nan 8.280 nan 0.000 0.492 1018 L N -0.411 120.691 121.223 -0.202 0.000 2.131 1018 L HA -0.227 4.119 4.340 0.009 0.000 0.210 1018 L C 2.751 179.312 176.870 -0.515 0.000 1.092 1018 L CA 1.022 55.639 54.840 -0.371 0.000 0.759 1018 L CB -1.100 40.841 42.059 -0.197 0.000 0.903 1018 L HN 0.328 nan 8.230 nan 0.000 0.435 1019 A N 0.702 123.434 122.820 -0.146 0.000 1.851 1019 A HA -0.215 4.110 4.320 0.009 0.000 0.216 1019 A C 2.253 179.870 177.584 0.056 0.000 1.195 1019 A CA 1.743 53.837 52.037 0.096 0.000 0.622 1019 A CB -0.916 18.304 19.000 0.367 0.000 0.831 1019 A HN 0.348 nan 8.150 nan 0.000 0.444 1020 L N -1.039 120.206 121.223 0.037 0.000 2.043 1020 L HA -0.257 4.088 4.340 0.009 0.000 0.212 1020 L C 2.804 179.608 176.870 -0.109 0.000 1.075 1020 L CA 1.828 56.640 54.840 -0.048 0.000 0.752 1020 L CB -0.600 41.410 42.059 -0.082 0.000 0.891 1020 L HN 0.397 nan 8.230 nan 0.000 0.432 1021 R N -0.813 119.500 120.500 -0.312 0.000 2.193 1021 R HA -0.151 4.195 4.340 0.009 0.000 0.229 1021 R C 1.892 178.055 176.300 -0.229 0.000 1.110 1021 R CA 1.045 56.944 56.100 -0.336 0.000 0.988 1021 R CB -0.497 29.510 30.300 -0.488 0.000 0.871 1021 R HN 0.560 nan 8.270 nan 0.000 0.458 1022 H N -1.518 117.479 119.070 -0.121 0.000 2.561 1022 H HA -0.031 4.531 4.556 0.009 0.000 0.278 1022 H C 0.424 175.477 175.328 -0.459 0.000 1.014 1022 H CA 0.650 56.551 56.048 -0.243 0.000 1.211 1022 H CB 0.161 29.783 29.762 -0.233 0.000 1.365 1022 H HN 0.331 nan 8.280 nan 0.000 0.594 1023 H N -1.798 117.272 119.070 0.000 0.000 2.575 1023 H HA 0.127 4.689 4.556 0.009 0.000 0.256 1023 H C 1.337 176.632 175.328 -0.055 0.000 1.162 1023 H CA -0.124 55.908 56.048 -0.026 0.000 0.969 1023 H CB 0.673 30.410 29.762 -0.042 0.000 1.796 1023 H HN 0.107 nan 8.280 nan 0.000 0.607 1024 T N 0.823 115.370 114.554 -0.012 0.000 2.594 1024 T HA -0.269 4.087 4.350 0.009 0.000 0.266 1024 T C 1.826 176.518 174.700 -0.013 0.000 1.070 1024 T CA 2.176 64.251 62.100 -0.041 0.000 1.166 1024 T CB -0.120 68.708 68.868 -0.068 0.000 0.862 1024 T HN 0.490 nan 8.240 nan 0.000 0.436 1025 N N 1.089 119.787 118.700 -0.002 0.000 2.069 1025 N HA -0.048 4.697 4.740 0.009 0.000 0.191 1025 N C 1.689 177.215 175.510 0.027 0.000 1.031 1025 N CA 0.723 53.779 53.050 0.011 0.000 0.852 1025 N CB -0.853 37.641 38.487 0.012 0.000 1.018 1025 N HN 0.249 nan 8.380 nan 0.000 0.423 1026 L N 0.920 122.169 121.223 0.043 0.000 2.012 1026 L HA -0.077 4.269 4.340 0.009 0.000 0.210 1026 L C 1.838 178.736 176.870 0.046 0.000 1.073 1026 L CA 1.504 56.371 54.840 0.044 0.000 0.748 1026 L CB -0.681 41.423 42.059 0.075 0.000 0.891 1026 L HN 0.160 nan 8.230 nan 0.000 0.431 1027 L N -1.195 120.049 121.223 0.036 0.000 2.056 1027 L HA -0.193 4.153 4.340 0.009 0.000 0.207 1027 L C 2.553 179.460 176.870 0.061 0.000 1.078 1027 L CA 1.285 56.141 54.840 0.027 0.000 0.749 1027 L CB -0.446 41.599 42.059 -0.024 0.000 0.901 1027 L HN 0.274 nan 8.230 nan 0.000 0.433 1028 I N -0.323 120.269 120.570 0.036 0.000 2.226 1028 I HA -0.306 3.869 4.170 0.009 0.000 0.245 1028 I C 2.413 178.600 176.117 0.116 0.000 1.100 1028 I CA 1.102 62.440 61.300 0.064 0.000 1.374 1028 I CB -0.125 37.886 38.000 0.018 0.000 1.057 1028 I HN 0.187 nan 8.210 nan 0.000 0.413 1029 I N 0.504 121.118 120.570 0.073 0.000 2.226 1029 I HA -0.266 3.909 4.170 0.009 0.000 0.245 1029 I C 2.506 178.670 176.117 0.078 0.000 1.100 1029 I CA 1.704 63.041 61.300 0.060 0.000 1.374 1029 I CB -1.018 37.004 38.000 0.037 0.000 1.057 1029 I HN 0.249 nan 8.210 nan 0.000 0.413 1030 L N -0.760 120.519 121.223 0.094 0.000 2.093 1030 L HA -0.234 4.112 4.340 0.009 0.000 0.208 1030 L C 2.601 179.542 176.870 0.118 0.000 1.085 1030 L CA 1.348 56.246 54.840 0.097 0.000 0.755 1030 L CB -0.664 41.453 42.059 0.097 0.000 0.904 1030 L HN 0.148 nan 8.230 nan 0.000 0.435 1031 F N 0.497 120.446 119.950 -0.002 0.000 2.098 1031 F HA -0.231 4.301 4.527 0.009 0.000 0.294 1031 F C 2.940 178.739 175.800 -0.001 0.000 1.107 1031 F CA 1.644 59.643 58.000 -0.001 0.000 1.234 1031 F CB -0.347 38.658 39.000 0.010 0.000 1.002 1031 F HN -0.018 nan 8.300 nan 0.000 0.472 1032 S N 0.433 116.193 115.700 0.101 0.000 2.374 1032 S HA -0.285 4.191 4.470 0.009 0.000 0.227 1032 S C 2.090 176.643 174.600 -0.078 0.000 1.037 1032 S CA 2.015 60.192 58.200 -0.039 0.000 1.024 1032 S CB -0.442 62.753 63.200 -0.009 0.000 0.861 1032 S HN 0.526 nan 8.310 nan 0.000 0.456 1033 M N 0.134 119.730 119.600 -0.007 0.000 2.254 1033 M HA 0.040 4.525 4.480 0.009 0.000 0.265 1033 M C 2.425 178.735 176.300 0.016 0.000 1.066 1033 M CA 1.240 56.583 55.300 0.073 0.000 1.123 1033 M CB -0.368 32.315 32.600 0.139 0.000 1.388 1033 M HN 0.481 nan 8.290 nan 0.000 0.425 1034 M N 0.828 120.385 119.600 -0.070 0.000 2.159 1034 M HA -0.187 4.299 4.480 0.009 0.000 0.263 1034 M C 1.773 177.977 176.300 -0.160 0.000 1.063 1034 M CA 1.669 56.897 55.300 -0.120 0.000 1.110 1034 M CB -0.027 32.483 32.600 -0.149 0.000 1.374 1034 M HN 0.269 nan 8.290 nan 0.000 0.411 1035 L N -0.538 120.543 121.223 -0.238 0.000 2.217 1035 L HA -0.120 4.225 4.340 0.009 0.000 0.211 1035 L C 2.250 179.072 176.870 -0.082 0.000 1.107 1035 L CA 0.797 55.510 54.840 -0.211 0.000 0.783 1035 L CB -0.430 41.440 42.059 -0.316 0.000 0.919 1035 L HN 0.415 nan 8.230 nan 0.000 0.442 1036 M N -1.008 118.582 119.600 -0.017 0.000 2.541 1036 M HA -0.014 4.471 4.480 0.009 0.000 0.252 1036 M C 1.708 178.042 176.300 0.056 0.000 1.125 1036 M CA 1.208 56.555 55.300 0.077 0.000 1.091 1036 M CB -0.055 32.660 32.600 0.190 0.000 1.420 1036 M HN 0.296 nan 8.290 nan 0.000 0.486 1037 T N -4.474 110.074 114.554 -0.010 0.000 3.043 1037 T HA 0.335 4.690 4.350 0.009 0.000 0.272 1037 T C 1.200 175.846 174.700 -0.091 0.000 0.990 1037 T CA 0.428 62.473 62.100 -0.092 0.000 0.897 1037 T CB 0.532 69.298 68.868 -0.169 0.000 1.111 1037 T HN 0.337 nan 8.240 nan 0.000 0.529 1038 G N 0.944 109.699 108.800 -0.076 0.000 2.799 1038 G HA2 0.381 4.346 3.960 0.009 0.000 0.201 1038 G HA3 0.381 4.346 3.960 0.009 0.000 0.201 1038 G C 0.089 174.954 174.900 -0.059 0.000 1.142 1038 G CA -0.372 44.684 45.100 -0.073 0.000 0.910 1038 G HN 0.396 nan 8.290 nan 0.000 0.710 1039 M N 1.565 121.128 119.600 -0.062 0.000 2.634 1039 M HA 0.373 4.858 4.480 0.009 0.000 0.211 1039 M C -2.176 174.101 176.300 -0.039 0.000 1.019 1039 M CA -2.092 53.177 55.300 -0.051 0.000 0.834 1039 M CB 2.311 34.870 32.600 -0.068 0.000 1.376 1039 M HN -0.210 nan 8.290 nan 0.000 0.465 1040 P HA -0.170 nan 4.420 nan 0.000 0.222 1040 P C 0.791 178.078 177.300 -0.021 0.000 1.142 1040 P CA 1.406 64.485 63.100 -0.035 0.000 0.788 1040 P CB 0.194 31.871 31.700 -0.038 0.000 0.767 1041 Q N -1.300 118.490 119.800 -0.016 0.000 2.204 1041 Q HA 0.084 4.429 4.340 0.009 0.000 0.198 1041 Q C 0.660 176.657 176.000 -0.004 0.000 0.946 1041 Q CA 0.634 56.433 55.803 -0.008 0.000 0.859 1041 Q CB -0.124 28.611 28.738 -0.005 0.000 0.946 1041 Q HN 0.263 nan 8.270 nan 0.000 0.474 1042 L N 1.784 122.999 121.223 -0.013 0.000 2.923 1042 L HA 0.164 4.510 4.340 0.009 0.000 0.231 1042 L C 0.072 176.938 176.870 -0.007 0.000 1.300 1042 L CA -0.029 54.804 54.840 -0.013 0.000 1.184 1042 L CB 0.374 42.410 42.059 -0.039 0.000 1.511 1042 L HN 0.048 nan 8.230 nan 0.000 0.448 1043 T N -3.803 110.768 114.554 0.028 0.000 3.316 1043 T HA 0.341 4.696 4.350 0.009 0.000 0.253 1043 T C 0.323 175.123 174.700 0.167 0.000 0.995 1043 T CA -0.495 61.656 62.100 0.085 0.000 1.031 1043 T CB 0.083 68.996 68.868 0.074 0.000 1.125 1043 T HN 0.239 nan 8.240 nan 0.000 0.539 1044 S N 0.024 115.813 115.700 0.148 0.000 2.638 1044 S HA 0.491 4.967 4.470 0.009 0.000 0.298 1044 S C 1.146 175.885 174.600 0.232 0.000 1.111 1044 S CA -1.042 57.269 58.200 0.184 0.000 1.027 1044 S CB 2.540 65.804 63.200 0.107 0.000 1.064 1044 S HN 0.326 nan 8.310 nan 0.000 0.525 1045 K N 0.613 121.185 120.400 0.287 0.000 2.063 1045 K HA -0.165 4.160 4.320 0.009 0.000 0.208 1045 K C 1.219 177.897 176.600 0.131 0.000 1.048 1045 K CA 1.924 58.347 56.287 0.226 0.000 0.928 1045 K CB -0.278 32.369 32.500 0.245 0.000 0.713 1045 K HN 0.697 nan 8.250 nan 0.000 0.442 1046 E N 0.773 121.050 120.200 0.128 0.000 2.347 1046 E HA -0.103 4.252 4.350 0.009 0.000 0.196 1046 E C 1.406 178.096 176.600 0.151 0.000 1.008 1046 E CA 0.849 57.321 56.400 0.120 0.000 0.852 1046 E CB -0.005 29.757 29.700 0.104 0.000 0.783 1046 E HN 0.336 nan 8.360 nan 0.000 0.505 1047 D N 0.119 120.606 120.400 0.145 0.000 2.077 1047 D HA -0.095 4.550 4.640 0.009 0.000 0.196 1047 D C 1.844 178.302 176.300 0.262 0.000 0.986 1047 D CA 0.774 54.872 54.000 0.164 0.000 0.829 1047 D CB -0.073 40.784 40.800 0.095 0.000 0.983 1047 D HN 0.103 nan 8.370 nan 0.000 0.453 1048 I N 1.261 121.947 120.570 0.193 0.000 2.208 1048 I HA -0.195 3.980 4.170 0.009 0.000 0.245 1048 I C 1.453 177.772 176.117 0.338 0.000 1.097 1048 I CA 1.198 62.659 61.300 0.268 0.000 1.363 1048 I CB -1.032 36.992 38.000 0.039 0.000 1.051 1048 I HN 0.108 nan 8.210 nan 0.000 0.413 1049 E N -0.220 120.093 120.200 0.188 0.000 2.416 1049 E HA -0.136 4.220 4.350 0.009 0.000 0.189 1049 E C 1.578 178.237 176.600 0.097 0.000 1.091 1049 E CA -0.037 56.426 56.400 0.106 0.000 0.889 1049 E CB -0.179 29.556 29.700 0.059 0.000 1.015 1049 E HN 0.547 nan 8.360 nan 0.000 0.479 1050 Y N 0.489 120.820 120.300 0.052 0.000 2.263 1050 Y HA -0.083 4.472 4.550 0.009 0.000 0.292 1050 Y C 1.880 177.684 175.900 -0.159 0.000 1.130 1050 Y CA 1.017 59.106 58.100 -0.019 0.000 1.179 1050 Y CB 0.095 38.578 38.460 0.039 0.000 0.998 1050 Y HN 0.055 nan 8.280 nan 0.000 0.532 1051 I N 0.116 120.530 120.570 -0.260 0.000 2.546 1051 I HA -0.226 3.950 4.170 0.009 0.000 0.255 1051 I C 2.194 178.110 176.117 -0.334 0.000 1.163 1051 I CA 0.902 61.916 61.300 -0.477 0.000 1.457 1051 I CB -0.204 37.321 38.000 -0.793 0.000 1.092 1051 I HN 0.240 nan 8.210 nan 0.000 0.434 1052 R N 0.544 120.913 120.500 -0.218 0.000 2.091 1052 R HA -0.191 4.154 4.340 0.009 0.000 0.238 1052 R C 1.738 177.923 176.300 -0.192 0.000 1.136 1052 R CA 1.931 57.937 56.100 -0.158 0.000 0.959 1052 R CB -0.416 29.828 30.300 -0.094 0.000 0.856 1052 R HN 0.388 nan 8.270 nan 0.000 0.437 1053 D N 0.553 120.801 120.400 -0.254 0.000 2.097 1053 D HA -0.085 4.560 4.640 0.009 0.000 0.197 1053 D C 1.780 177.912 176.300 -0.281 0.000 0.984 1053 D CA 1.495 55.341 54.000 -0.256 0.000 0.826 1053 D CB -0.327 40.322 40.800 -0.253 0.000 0.973 1053 D HN 0.228 nan 8.370 nan 0.000 0.460 1054 A N 0.131 122.680 122.820 -0.452 0.000 2.070 1054 A HA -0.040 4.285 4.320 0.009 0.000 0.220 1054 A C 1.913 179.581 177.584 0.140 0.000 1.159 1054 A CA 0.750 52.594 52.037 -0.321 0.000 0.656 1054 A CB -0.446 18.079 19.000 -0.790 0.000 0.800 1054 A HN 0.239 nan 8.150 nan 0.000 0.453 1055 L N 0.560 121.766 121.223 -0.028 0.000 2.741 1055 L HA 0.062 4.407 4.340 0.009 0.000 0.237 1055 L C 0.825 177.657 176.870 -0.063 0.000 1.178 1055 L CA 0.484 55.319 54.840 -0.008 0.000 0.973 1055 L CB -0.424 41.566 42.059 -0.114 0.000 1.255 1055 L HN 0.564 nan 8.230 nan 0.000 0.498 1056 T N -2.118 112.377 114.554 -0.098 0.000 3.398 1056 T HA -0.188 4.167 4.350 0.009 0.000 0.408 1056 T C 0.315 174.944 174.700 -0.119 0.000 0.769 1056 T CA -0.175 61.819 62.100 -0.176 0.000 2.018 1056 T CB -2.808 65.946 68.868 -0.190 0.000 1.703 1056 T HN 0.008 nan 8.240 nan 0.000 0.639 1057 V N 1.550 121.397 119.914 -0.111 0.000 2.928 1057 V HA 0.376 4.502 4.120 0.009 0.000 0.307 1057 V C 2.224 178.277 176.094 -0.069 0.000 1.105 1057 V CA 1.344 63.592 62.300 -0.086 0.000 1.223 1057 V CB 0.096 31.874 31.823 -0.076 0.000 0.930 1057 V HN 1.661 nan 8.190 nan 0.000 0.499 1058 G N 3.012 111.780 108.800 -0.054 0.000 2.347 1058 G HA2 -0.247 3.719 3.960 0.009 0.000 0.247 1058 G HA3 -0.247 3.719 3.960 0.009 0.000 0.247 1058 G C 0.380 175.260 174.900 -0.033 0.000 1.037 1058 G CA 0.265 45.342 45.100 -0.039 0.000 0.622 1058 G HN 0.583 nan 8.290 nan 0.000 0.521 1059 K N 1.965 122.341 120.400 -0.040 0.000 2.319 1059 K HA 0.298 4.623 4.320 0.009 0.000 0.265 1059 K C 0.764 177.356 176.600 -0.014 0.000 1.000 1059 K CA 0.238 56.510 56.287 -0.024 0.000 0.943 1059 K CB 0.432 32.915 32.500 -0.028 0.000 0.950 1059 K HN 0.797 nan 8.250 nan 0.000 0.485 1060 N N -0.419 118.283 118.700 0.003 0.000 2.408 1060 N HA 0.026 4.772 4.740 0.009 0.000 0.260 1060 N C 0.393 175.916 175.510 0.021 0.000 1.242 1060 N CA -0.326 52.730 53.050 0.009 0.000 0.959 1060 N CB 0.533 39.028 38.487 0.014 0.000 1.201 1060 N HN 0.411 nan 8.380 nan 0.000 0.511 1061 E N -0.986 119.228 120.200 0.023 0.000 2.472 1061 E HA -0.133 4.223 4.350 0.009 0.000 0.200 1061 E C 0.574 177.206 176.600 0.053 0.000 1.046 1061 E CA 0.585 57.004 56.400 0.031 0.000 0.871 1061 E CB 0.049 29.768 29.700 0.031 0.000 0.806 1061 E HN 0.556 nan 8.360 nan 0.000 0.533 1062 E N 0.927 121.157 120.200 0.050 0.000 2.042 1062 E HA -0.101 4.254 4.350 0.009 0.000 0.189 1062 E C 1.680 178.328 176.600 0.079 0.000 0.974 1062 E CA 0.596 57.030 56.400 0.056 0.000 0.806 1062 E CB -0.072 29.653 29.700 0.042 0.000 0.769 1062 E HN 0.241 nan 8.360 nan 0.000 0.451 1063 D N 1.200 121.645 120.400 0.075 0.000 2.104 1063 D HA -0.155 4.490 4.640 0.009 0.000 0.194 1063 D C 1.842 178.238 176.300 0.160 0.000 0.994 1063 D CA 1.462 55.520 54.000 0.097 0.000 0.830 1063 D CB -0.128 40.711 40.800 0.065 0.000 0.959 1063 D HN 0.107 nan 8.370 nan 0.000 0.452 1064 A N 1.515 124.431 122.820 0.159 0.000 1.865 1064 A HA -0.255 4.071 4.320 0.009 0.000 0.217 1064 A C 2.121 179.925 177.584 0.367 0.000 1.191 1064 A CA 2.214 54.424 52.037 0.287 0.000 0.623 1064 A CB -0.651 18.475 19.000 0.211 0.000 0.826 1064 A HN 0.218 nan 8.150 nan 0.000 0.444 1065 K N -0.111 120.430 120.400 0.234 0.000 2.044 1065 K HA -0.220 4.105 4.320 0.009 0.000 0.210 1065 K C 1.888 178.582 176.600 0.156 0.000 1.049 1065 K CA 2.023 58.417 56.287 0.178 0.000 0.927 1065 K CB -0.204 32.355 32.500 0.097 0.000 0.713 1065 K HN 0.445 nan 8.250 nan 0.000 0.443 1066 K N -0.769 119.717 120.400 0.143 0.000 2.296 1066 K HA -0.126 4.199 4.320 0.009 0.000 0.200 1066 K C 1.900 178.569 176.600 0.116 0.000 1.048 1066 K CA 0.938 57.288 56.287 0.104 0.000 0.966 1066 K CB -0.145 32.407 32.500 0.087 0.000 0.754 1066 K HN 0.267 nan 8.250 nan 0.000 0.466 1067 Y N 0.124 120.456 120.300 0.053 0.000 2.133 1067 Y HA -0.227 4.328 4.550 0.009 0.000 0.287 1067 Y C 1.939 177.798 175.900 -0.068 0.000 1.134 1067 Y CA 1.391 59.506 58.100 0.025 0.000 1.133 1067 Y CB -0.174 38.342 38.460 0.094 0.000 0.987 1067 Y HN -0.013 nan 8.280 nan 0.000 0.502 1068 F N 0.353 120.178 119.950 -0.208 0.000 2.171 1068 F HA -0.215 4.317 4.527 0.009 0.000 0.300 1068 F C 1.871 177.470 175.800 -0.334 0.000 1.090 1068 F CA 1.550 59.258 58.000 -0.487 0.000 1.293 1068 F CB -0.357 38.274 39.000 -0.615 0.000 1.013 1068 F HN 0.045 nan 8.300 nan 0.000 0.486 1069 L N -0.339 120.850 121.223 -0.056 0.000 2.046 1069 L HA -0.243 4.102 4.340 0.009 0.000 0.208 1069 L C 2.157 178.938 176.870 -0.148 0.000 1.077 1069 L CA 1.375 56.179 54.840 -0.060 0.000 0.747 1069 L CB -0.909 41.152 42.059 0.003 0.000 0.896 1069 L HN 0.048 nan 8.230 nan 0.000 0.432 1070 D N -0.379 119.908 120.400 -0.188 0.000 2.133 1070 D HA -0.194 4.451 4.640 0.009 0.000 0.195 1070 D C 2.353 178.463 176.300 -0.316 0.000 0.997 1070 D CA 1.034 54.909 54.000 -0.209 0.000 0.840 1070 D CB -0.186 40.490 40.800 -0.205 0.000 0.947 1070 D HN 0.327 nan 8.370 nan 0.000 0.452 1071 Q N 0.489 119.973 119.800 -0.527 0.000 2.002 1071 Q HA -0.106 4.239 4.340 0.009 0.000 0.204 1071 Q C 2.690 178.384 176.000 -0.510 0.000 0.988 1071 Q CA 0.713 56.131 55.803 -0.641 0.000 0.843 1071 Q CB -0.643 27.480 28.738 -1.025 0.000 0.908 1071 Q HN 0.437 nan 8.270 nan 0.000 0.420 1072 I N 1.309 121.665 120.570 -0.357 0.000 2.300 1072 I HA -0.275 3.901 4.170 0.009 0.000 0.252 1072 I C 2.152 178.257 176.117 -0.020 0.000 1.119 1072 I CA 1.133 62.419 61.300 -0.023 0.000 1.384 1072 I CB -0.335 37.759 38.000 0.156 0.000 1.062 1072 I HN 0.198 nan 8.210 nan 0.000 0.426 1073 E N 0.569 120.725 120.200 -0.073 0.000 2.046 1073 E HA -0.113 4.242 4.350 0.009 0.000 0.190 1073 E C 2.469 179.004 176.600 -0.109 0.000 0.982 1073 E CA 0.931 57.305 56.400 -0.043 0.000 0.800 1073 E CB -0.456 29.221 29.700 -0.038 0.000 0.756 1073 E HN 0.312 nan 8.360 nan 0.000 0.449 1074 V N 1.255 121.060 119.914 -0.181 0.000 2.370 1074 V HA -0.341 3.785 4.120 0.009 0.000 0.252 1074 V C 2.526 178.503 176.094 -0.195 0.000 1.068 1074 V CA 1.823 64.010 62.300 -0.187 0.000 1.061 1074 V CB -0.757 30.926 31.823 -0.233 0.000 0.656 1074 V HN 0.304 nan 8.190 nan 0.000 0.455 1075 C N -0.471 118.677 119.300 -0.253 0.000 2.435 1075 C HA -0.077 4.388 4.460 0.009 0.000 0.279 1075 C C 2.826 177.717 174.990 -0.166 0.000 1.321 1075 C CA 0.696 59.573 59.018 -0.234 0.000 1.752 1075 C CB -1.130 26.450 27.740 -0.268 0.000 1.959 1075 C HN 0.536 nan 8.230 nan 0.000 0.500 1076 R N 0.963 121.392 120.500 -0.118 0.000 2.062 1076 R HA -0.058 4.287 4.340 0.009 0.000 0.226 1076 R C 1.534 177.765 176.300 -0.115 0.000 1.125 1076 R CA 1.269 57.299 56.100 -0.116 0.000 0.966 1076 R CB -0.527 29.729 30.300 -0.075 0.000 0.861 1076 R HN 0.445 nan 8.270 nan 0.000 0.433 1077 D N 0.790 121.134 120.400 -0.093 0.000 2.309 1077 D HA -0.107 4.538 4.640 0.009 0.000 0.212 1077 D C 1.184 177.438 176.300 -0.077 0.000 0.968 1077 D CA 1.236 55.191 54.000 -0.076 0.000 0.882 1077 D CB 0.074 40.836 40.800 -0.064 0.000 0.918 1077 D HN 0.209 nan 8.370 nan 0.000 0.503 1078 K N -0.449 119.892 120.400 -0.097 0.000 2.355 1078 K HA 0.201 4.527 4.320 0.009 0.000 0.198 1078 K C 1.391 177.932 176.600 -0.098 0.000 1.039 1078 K CA 0.293 56.530 56.287 -0.082 0.000 1.075 1078 K CB 1.159 33.611 32.500 -0.079 0.000 0.870 1078 K HN 0.060 nan 8.250 nan 0.000 0.540 1079 G N 1.850 110.550 108.800 -0.168 0.000 2.698 1079 G HA2 -0.333 3.632 3.960 0.009 0.000 0.346 1079 G HA3 -0.333 3.632 3.960 0.009 0.000 0.346 1079 G C 0.336 175.044 174.900 -0.319 0.000 1.287 1079 G CA 0.983 45.912 45.100 -0.285 0.000 0.990 1079 G HN 0.532 nan 8.290 nan 0.000 0.545 1080 W N 1.073 122.332 121.300 -0.068 0.000 3.256 1080 W HA 0.353 5.018 4.660 0.009 0.000 0.269 1080 W C 2.750 179.281 176.519 0.021 0.000 1.310 1080 W CA 0.495 57.798 57.345 -0.070 0.000 1.673 1080 W CB -0.031 29.409 29.460 -0.033 0.000 1.115 1080 W HN 0.440 nan 8.180 nan 0.000 0.686 1081 T N 0.443 115.100 114.554 0.172 0.000 2.720 1081 T HA -0.214 4.141 4.350 0.009 0.000 0.268 1081 T C 1.834 176.650 174.700 0.194 0.000 1.037 1081 T CA 1.651 63.842 62.100 0.151 0.000 1.144 1081 T CB -0.435 68.466 68.868 0.055 0.000 0.864 1081 T HN -0.051 nan 8.240 nan 0.000 0.444 1082 V N 1.187 121.186 119.914 0.141 0.000 2.488 1082 V HA -0.072 4.053 4.120 0.009 0.000 0.246 1082 V C 2.692 178.959 176.094 0.288 0.000 1.046 1082 V CA 1.121 63.493 62.300 0.120 0.000 1.053 1082 V CB -0.488 31.407 31.823 0.121 0.000 0.679 1082 V HN 0.360 nan 8.190 nan 0.000 0.458 1083 Q N -0.725 119.293 119.800 0.363 0.000 2.124 1083 Q HA -0.188 4.157 4.340 0.009 0.000 0.202 1083 Q C 2.099 178.430 176.000 0.553 0.000 0.977 1083 Q CA 1.749 57.822 55.803 0.451 0.000 0.850 1083 Q CB -0.488 28.321 28.738 0.118 0.000 0.901 1083 Q HN 0.666 nan 8.270 nan 0.000 0.429 1084 F N 2.417 122.577 119.950 0.350 0.000 2.102 1084 F HA -0.186 4.346 4.527 0.009 0.000 0.298 1084 F C 1.744 177.716 175.800 0.287 0.000 1.105 1084 F CA 1.312 59.528 58.000 0.360 0.000 1.239 1084 F CB -0.199 38.950 39.000 0.248 0.000 0.991 1084 F HN 0.084 nan 8.300 nan 0.000 0.474 1085 N N -0.129 118.700 118.700 0.215 0.000 2.104 1085 N HA -0.244 4.501 4.740 0.009 0.000 0.190 1085 N C 1.710 177.195 175.510 -0.042 0.000 1.024 1085 N CA 1.788 54.825 53.050 -0.021 0.000 0.853 1085 N CB -1.130 37.282 38.487 -0.126 0.000 1.008 1085 N HN 0.494 nan 8.380 nan 0.000 0.424 1086 W N -0.050 121.316 121.300 0.111 0.000 2.387 1086 W HA -0.094 4.572 4.660 0.009 0.000 0.272 1086 W C 1.817 178.285 176.519 -0.085 0.000 1.224 1086 W CA 0.011 57.382 57.345 0.043 0.000 1.210 1086 W CB -0.304 29.259 29.460 0.173 0.000 1.125 1086 W HN 0.025 nan 8.180 nan 0.000 0.572 1087 F N -0.055 119.945 119.950 0.085 0.000 2.262 1087 F HA 0.175 4.707 4.527 0.009 0.000 0.292 1087 F C 1.194 176.940 175.800 -0.089 0.000 1.081 1087 F CA 0.454 58.437 58.000 -0.029 0.000 1.355 1087 F CB -0.366 38.649 39.000 0.025 0.000 1.069 1087 F HN -0.446 nan 8.300 nan 0.000 0.506 1088 L N 2.061 123.268 121.223 -0.027 0.000 2.737 1088 L HA -0.177 4.169 4.340 0.009 0.000 0.275 1088 L C -0.449 176.375 176.870 -0.077 0.000 1.179 1088 L CA 0.416 55.204 54.840 -0.088 0.000 0.970 1088 L CB -0.590 41.386 42.059 -0.138 0.000 1.268 1088 L HN 0.202 nan 8.230 nan 0.000 0.485 1089 H N 4.616 123.588 119.070 -0.165 0.000 2.872 1089 H HA 0.393 4.954 4.556 0.009 0.000 0.273 1089 H C -0.150 175.130 175.328 -0.081 0.000 1.205 1089 H CA -0.429 55.533 56.048 -0.142 0.000 1.342 1089 H CB 0.287 29.941 29.762 -0.181 0.000 1.469 1089 H HN 0.442 nan 8.280 nan 0.000 0.487 1090 L N 0.000 121.055 121.223 -0.279 0.000 2.949 1090 L HA 0.000 4.345 4.340 0.009 0.000 0.249 1090 L CA 0.000 54.730 54.840 -0.184 0.000 0.813 1090 L CB 0.000 41.982 42.059 -0.128 0.000 0.961 1090 L HN 0.000 nan 8.230 nan 0.000 0.502