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 3ibe_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM XXXXXXXXXX XXXXEQDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEE WXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XLWDCDRKFR VKIRGIDIPV LXXXXDLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCGXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXVRLLY YVNLLLIDHR FLLRRGEYVL HMWQISXXXX DATA SEQUENCE XXXSFNADKL TSATNPDKEN SMSISILLDN XXHPIALPKH QPTXXXXXDR DATA SEQUENCE VRAEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL SAEKYDVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSXXXXTGAF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHXXXXX XXXXXXXKER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPXL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLVL 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 143 M HA 0.000 nan 4.480 nan 0.000 0.227 143 M C 0.000 176.305 176.300 0.008 0.000 1.140 143 M CA 0.000 55.301 55.300 0.001 0.000 0.988 143 M CB 0.000 32.601 32.600 0.002 0.000 1.302 144 S N 1.226 116.934 115.700 0.013 0.000 2.881 144 S HA 0.226 4.712 4.470 0.027 0.000 0.228 144 S C 1.108 175.722 174.600 0.025 0.000 0.965 144 S CA 1.106 59.319 58.200 0.021 0.000 0.998 144 S CB -0.390 62.822 63.200 0.019 0.000 0.795 144 S HN 0.691 nan 8.310 nan 0.000 0.518 145 E N 1.268 121.481 120.200 0.021 0.000 2.434 145 E HA 0.152 4.518 4.350 0.027 0.000 0.207 145 E C 1.662 178.280 176.600 0.031 0.000 0.929 145 E CA 0.772 57.187 56.400 0.024 0.000 1.001 145 E CB -0.040 29.669 29.700 0.015 0.000 1.016 145 E HN 0.396 nan 8.360 nan 0.000 0.502 146 E N -0.137 120.078 120.200 0.025 0.000 2.489 146 E HA 0.160 4.526 4.350 0.027 0.000 0.193 146 E C 1.577 178.212 176.600 0.058 0.000 1.057 146 E CA 0.836 57.251 56.400 0.024 0.000 0.866 146 E CB -0.252 29.441 29.700 -0.012 0.000 0.916 146 E HN 0.203 nan 8.360 nan 0.000 0.500 147 S N -0.995 114.752 115.700 0.079 0.000 2.514 147 S HA 0.157 4.644 4.470 0.027 0.000 0.223 147 S C 2.360 177.045 174.600 0.142 0.000 1.046 147 S CA 0.658 58.944 58.200 0.143 0.000 0.914 147 S CB 0.764 64.024 63.200 0.100 0.000 0.807 147 S HN 0.721 nan 8.310 nan 0.000 0.497 148 Q N 0.393 120.243 119.800 0.084 0.000 2.403 148 Q HA 0.552 4.908 4.340 0.027 0.000 0.203 148 Q C 1.755 177.789 176.000 0.056 0.000 0.932 148 Q CA 0.886 56.722 55.803 0.055 0.000 0.945 148 Q CB -0.682 28.075 28.738 0.033 0.000 1.045 148 Q HN 0.598 nan 8.270 nan 0.000 0.511 149 A N -1.328 121.545 122.820 0.087 0.000 2.063 149 A HA 0.349 4.685 4.320 0.027 0.000 0.211 149 A C 1.806 179.481 177.584 0.151 0.000 1.177 149 A CA 0.788 52.879 52.037 0.089 0.000 0.759 149 A CB -0.124 18.923 19.000 0.078 0.000 0.857 149 A HN 0.567 nan 8.150 nan 0.000 0.468 150 F N 0.843 120.793 119.950 -0.000 0.000 2.149 150 F HA -0.023 4.520 4.527 0.027 0.000 0.294 150 F C 2.226 178.028 175.800 0.002 0.000 1.095 150 F CA 1.884 59.884 58.000 0.001 0.000 1.276 150 F CB -0.429 38.570 39.000 -0.001 0.000 1.023 150 F HN 0.310 nan 8.300 nan 0.000 0.480 151 Q N 0.813 120.591 119.800 -0.037 0.000 2.291 151 Q HA -0.094 4.263 4.340 0.027 0.000 0.205 151 Q C 2.256 178.190 176.000 -0.110 0.000 0.970 151 Q CA 2.020 57.736 55.803 -0.144 0.000 0.876 151 Q CB -0.247 28.462 28.738 -0.048 0.000 0.935 151 Q HN 0.370 nan 8.270 nan 0.000 0.455 152 R N 0.510 120.984 120.500 -0.044 0.000 2.115 152 R HA -0.060 4.296 4.340 0.027 0.000 0.226 152 R C 1.915 178.190 176.300 -0.043 0.000 1.100 152 R CA 1.504 57.585 56.100 -0.031 0.000 0.980 152 R CB -1.128 29.173 30.300 0.002 0.000 0.875 152 R HN 0.667 nan 8.270 nan 0.000 0.445 153 Q N 0.201 119.972 119.800 -0.048 0.000 1.990 153 Q HA -0.032 4.324 4.340 0.027 0.000 0.200 153 Q C 2.258 178.188 176.000 -0.117 0.000 0.980 153 Q CA 1.658 57.433 55.803 -0.048 0.000 0.832 153 Q CB -0.191 28.562 28.738 0.024 0.000 0.897 153 Q HN 0.584 nan 8.270 nan 0.000 0.427 154 L N 0.298 121.366 121.223 -0.259 0.000 2.127 154 L HA -0.194 4.162 4.340 0.027 0.000 0.211 154 L C 2.445 179.240 176.870 -0.125 0.000 1.089 154 L CA 1.454 56.152 54.840 -0.238 0.000 0.757 154 L CB -0.516 41.319 42.059 -0.373 0.000 0.899 154 L HN 0.335 nan 8.230 nan 0.000 0.434 155 T N -0.450 114.040 114.554 -0.107 0.000 2.915 155 T HA -0.071 4.295 4.350 0.027 0.000 0.269 155 T C 1.953 176.622 174.700 -0.052 0.000 1.071 155 T CA 1.105 63.162 62.100 -0.072 0.000 1.132 155 T CB -0.017 68.807 68.868 -0.074 0.000 0.878 155 T HN 0.458 nan 8.240 nan 0.000 0.479 156 A N 1.115 123.907 122.820 -0.045 0.000 1.897 156 A HA 0.146 4.482 4.320 0.027 0.000 0.215 156 A C 2.204 179.780 177.584 -0.013 0.000 1.181 156 A CA 0.842 52.864 52.037 -0.024 0.000 0.620 156 A CB -0.698 18.294 19.000 -0.013 0.000 0.821 156 A HN 0.451 nan 8.150 nan 0.000 0.443 157 L N -0.639 120.579 121.223 -0.007 0.000 2.191 157 L HA -0.138 4.218 4.340 0.027 0.000 0.212 157 L C 2.244 179.098 176.870 -0.028 0.000 1.103 157 L CA 0.977 55.838 54.840 0.035 0.000 0.769 157 L CB -0.304 41.799 42.059 0.073 0.000 0.908 157 L HN 0.421 nan 8.230 nan 0.000 0.438 158 I N -1.416 119.116 120.570 -0.063 0.000 2.729 158 I HA 0.044 4.230 4.170 0.027 0.000 0.256 158 I C 1.577 177.639 176.117 -0.092 0.000 1.115 158 I CA 0.895 62.125 61.300 -0.115 0.000 1.446 158 I CB -0.033 37.935 38.000 -0.053 0.000 1.176 158 I HN 0.348 nan 8.210 nan 0.000 0.446 159 G N 0.560 109.343 108.800 -0.030 0.000 2.131 159 G HA2 -0.300 3.676 3.960 0.027 0.000 0.223 159 G HA3 -0.300 3.676 3.960 0.027 0.000 0.223 159 G C -0.198 174.755 174.900 0.089 0.000 0.990 159 G CA -0.117 44.986 45.100 0.005 0.000 0.671 159 G HN 0.353 nan 8.290 nan 0.000 0.521 160 Y N -0.090 120.175 120.300 -0.060 0.000 2.436 160 Y HA 0.485 5.051 4.550 0.027 0.000 0.327 160 Y C -1.354 174.516 175.900 -0.050 0.000 1.138 160 Y CA -1.058 57.015 58.100 -0.046 0.000 1.042 160 Y CB 1.913 40.350 38.460 -0.038 0.000 1.302 160 Y HN 0.072 nan 8.280 nan 0.000 0.439 161 D N 4.379 124.500 120.400 -0.465 0.000 2.422 161 D HA 0.163 4.819 4.640 0.027 0.000 0.227 161 D C 0.829 177.077 176.300 -0.086 0.000 1.190 161 D CA -0.022 53.831 54.000 -0.245 0.000 0.905 161 D CB 0.887 41.518 40.800 -0.282 0.000 1.034 161 D HN 0.424 nan 8.370 nan 0.000 0.507 162 V N 2.047 122.016 119.914 0.091 0.000 3.546 162 V HA -0.056 4.081 4.120 0.027 0.000 0.272 162 V C 1.594 177.718 176.094 0.050 0.000 1.228 162 V CA 1.417 63.794 62.300 0.128 0.000 1.184 162 V CB -1.646 30.219 31.823 0.071 0.000 0.886 162 V HN 0.653 nan 8.190 nan 0.000 0.508 163 T N -3.627 110.931 114.554 0.006 0.000 3.054 163 T HA 0.133 4.499 4.350 0.027 0.000 0.255 163 T C 0.458 175.155 174.700 -0.006 0.000 1.035 163 T CA 0.248 62.347 62.100 -0.001 0.000 0.941 163 T CB -0.066 68.793 68.868 -0.015 0.000 1.026 163 T HN 0.486 nan 8.240 nan 0.000 0.533 164 D N 2.221 122.610 120.400 -0.018 0.000 2.317 164 D HA 0.231 4.887 4.640 0.027 0.000 0.252 164 D C 1.096 177.408 176.300 0.020 0.000 1.174 164 D CA -0.423 53.558 54.000 -0.033 0.000 0.866 164 D CB 1.461 42.185 40.800 -0.125 0.000 1.127 164 D HN 0.167 nan 8.370 nan 0.000 0.467 165 V N 1.463 121.383 119.914 0.009 0.000 3.427 165 V HA 0.112 4.249 4.120 0.027 0.000 0.305 165 V C 1.609 177.708 176.094 0.009 0.000 1.412 165 V CA 0.354 62.666 62.300 0.019 0.000 1.086 165 V CB -0.559 31.277 31.823 0.022 0.000 0.964 165 V HN 0.537 nan 8.190 nan 0.000 0.439 166 S N 0.400 116.097 115.700 -0.004 0.000 2.584 166 S HA -0.048 4.438 4.470 0.027 0.000 0.240 166 S C 1.052 175.640 174.600 -0.020 0.000 0.975 166 S CA 1.488 59.678 58.200 -0.017 0.000 0.949 166 S CB -0.636 62.542 63.200 -0.036 0.000 0.761 166 S HN 0.656 nan 8.310 nan 0.000 0.536 167 N N 0.206 118.902 118.700 -0.007 0.000 2.595 167 N HA 0.229 4.985 4.740 0.027 0.000 0.291 167 N C -1.030 174.445 175.510 -0.058 0.000 1.706 167 N CA 0.004 53.038 53.050 -0.026 0.000 0.867 167 N CB 1.356 39.838 38.487 -0.010 0.000 1.414 167 N HN 0.390 nan 8.380 nan 0.000 0.492 168 V N -0.573 119.303 119.914 -0.062 0.000 3.048 168 V HA 0.587 4.723 4.120 0.027 0.000 0.303 168 V C -0.675 175.387 176.094 -0.054 0.000 1.214 168 V CA -0.727 61.489 62.300 -0.142 0.000 0.984 168 V CB 1.636 33.426 31.823 -0.056 0.000 1.054 168 V HN 0.326 nan 8.190 nan 0.000 0.430 169 H N 1.459 120.620 119.070 0.152 0.000 2.486 169 H HA 0.742 5.314 4.556 0.027 0.000 0.284 169 H C -0.286 175.164 175.328 0.204 0.000 1.103 169 H CA -0.173 55.985 56.048 0.183 0.000 1.089 169 H CB -0.223 29.723 29.762 0.305 0.000 1.603 169 H HN 0.963 nan 8.280 nan 0.000 0.557 170 D N -1.034 119.565 120.400 0.332 0.000 2.738 170 D HA 0.028 4.684 4.640 0.027 0.000 0.308 170 D C -0.688 175.743 176.300 0.219 0.000 1.311 170 D CA -0.678 53.506 54.000 0.306 0.000 0.799 170 D CB 0.154 41.206 40.800 0.421 0.000 1.332 170 D HN 0.066 nan 8.370 nan 0.000 0.441 171 D N -0.940 119.609 120.400 0.249 0.000 2.722 171 D HA 0.057 4.713 4.640 0.027 0.000 0.239 171 D C 0.605 176.965 176.300 0.101 0.000 1.249 171 D CA -0.240 53.872 54.000 0.188 0.000 0.830 171 D CB 0.382 41.309 40.800 0.212 0.000 1.025 171 D HN 0.607 nan 8.370 nan 0.000 0.486 172 E N 0.528 120.661 120.200 -0.111 0.000 2.107 172 E HA -0.080 4.286 4.350 0.027 0.000 0.191 172 E C 1.854 178.418 176.600 -0.061 0.000 0.982 172 E CA 0.330 56.431 56.400 -0.498 0.000 0.809 172 E CB 0.132 29.605 29.700 -0.379 0.000 0.756 172 E HN 0.283 nan 8.360 nan 0.000 0.459 173 L N 0.522 121.726 121.223 -0.031 0.000 2.093 173 L HA -0.134 4.222 4.340 0.027 0.000 0.208 173 L C 2.538 179.387 176.870 -0.034 0.000 1.085 173 L CA 1.207 55.980 54.840 -0.112 0.000 0.755 173 L CB -0.224 41.730 42.059 -0.175 0.000 0.904 173 L HN 0.179 nan 8.230 nan 0.000 0.435 174 E N 0.178 120.394 120.200 0.027 0.000 2.076 174 E HA -0.223 4.143 4.350 0.027 0.000 0.190 174 E C 1.965 178.620 176.600 0.091 0.000 0.979 174 E CA 0.888 57.321 56.400 0.055 0.000 0.807 174 E CB -0.231 29.519 29.700 0.083 0.000 0.761 174 E HN 0.283 nan 8.360 nan 0.000 0.454 175 F N 0.863 120.807 119.950 -0.009 0.000 2.154 175 F HA -0.227 4.315 4.527 0.026 0.000 0.301 175 F C 1.996 177.801 175.800 0.008 0.000 1.087 175 F CA 2.004 60.019 58.000 0.026 0.000 1.274 175 F CB -0.622 38.417 39.000 0.065 0.000 1.009 175 F HN 0.013 nan 8.300 nan 0.000 0.485 176 T N 0.456 114.981 114.554 -0.048 0.000 2.812 176 T HA -0.093 4.273 4.350 0.027 0.000 0.264 176 T C 1.992 176.625 174.700 -0.111 0.000 1.042 176 T CA 1.180 63.210 62.100 -0.116 0.000 1.140 176 T CB -0.206 68.657 68.868 -0.008 0.000 0.870 176 T HN 0.236 nan 8.240 nan 0.000 0.445 177 R N 0.853 121.312 120.500 -0.067 0.000 2.133 177 R HA -0.152 4.204 4.340 0.027 0.000 0.247 177 R C 2.963 179.223 176.300 -0.068 0.000 1.151 177 R CA 1.912 57.982 56.100 -0.050 0.000 0.971 177 R CB -0.356 29.930 30.300 -0.024 0.000 0.866 177 R HN 0.357 nan 8.270 nan 0.000 0.447 178 R N 0.457 120.894 120.500 -0.104 0.000 2.119 178 R HA 0.039 4.395 4.340 0.027 0.000 0.222 178 R C 2.329 178.522 176.300 -0.177 0.000 1.088 178 R CA 1.369 57.398 56.100 -0.119 0.000 0.984 178 R CB -1.604 28.632 30.300 -0.108 0.000 0.884 178 R HN 0.478 nan 8.270 nan 0.000 0.447 179 G N 0.774 109.404 108.800 -0.283 0.000 2.408 179 G HA2 -0.085 3.891 3.960 0.027 0.000 0.217 179 G HA3 -0.085 3.891 3.960 0.027 0.000 0.217 179 G C 1.547 176.369 174.900 -0.129 0.000 1.150 179 G CA 0.819 45.756 45.100 -0.272 0.000 0.776 179 G HN 0.432 nan 8.290 nan 0.000 0.542 180 L N 0.900 122.068 121.223 -0.092 0.000 2.551 180 L HA 0.038 4.395 4.340 0.027 0.000 0.228 180 L C 2.605 179.460 176.870 -0.024 0.000 1.153 180 L CA -0.316 54.500 54.840 -0.040 0.000 0.851 180 L CB -0.063 41.983 42.059 -0.021 0.000 0.959 180 L HN 0.034 nan 8.230 nan 0.000 0.451 181 V N -0.382 119.512 119.914 -0.034 0.000 2.407 181 V HA -0.280 3.856 4.120 0.027 0.000 0.248 181 V C 2.496 178.583 176.094 -0.013 0.000 1.055 181 V CA 2.330 64.619 62.300 -0.019 0.000 1.049 181 V CB -0.739 31.072 31.823 -0.020 0.000 0.662 181 V HN 0.498 nan 8.190 nan 0.000 0.455 182 T N 0.400 114.944 114.554 -0.017 0.000 2.701 182 T HA -0.081 4.285 4.350 0.027 0.000 0.263 182 T C -0.031 174.668 174.700 -0.003 0.000 1.040 182 T CA 1.896 63.991 62.100 -0.009 0.000 1.147 182 T CB -1.195 67.668 68.868 -0.008 0.000 0.865 182 T HN 0.459 nan 8.240 nan 0.000 0.426 183 P HA 0.016 nan 4.420 nan 0.000 0.221 183 P C 1.407 178.712 177.300 0.007 0.000 1.150 183 P CA 0.864 63.971 63.100 0.011 0.000 0.800 183 P CB -0.006 31.707 31.700 0.021 0.000 0.787 184 R N 0.274 120.777 120.500 0.006 0.000 2.075 184 R HA -0.074 4.282 4.340 0.027 0.000 0.230 184 R C 2.122 178.415 176.300 -0.013 0.000 1.140 184 R CA 2.061 58.163 56.100 0.003 0.000 0.928 184 R CB -0.952 29.352 30.300 0.005 0.000 0.834 184 R HN 0.025 nan 8.270 nan 0.000 0.429 185 M N 0.242 119.834 119.600 -0.012 0.000 2.213 185 M HA -0.079 4.417 4.480 0.027 0.000 0.263 185 M C 2.410 178.697 176.300 -0.021 0.000 1.062 185 M CA 1.588 56.877 55.300 -0.018 0.000 1.105 185 M CB -0.335 32.257 32.600 -0.013 0.000 1.385 185 M HN 0.448 nan 8.290 nan 0.000 0.417 186 A N -0.015 122.797 122.820 -0.014 0.000 1.930 186 A HA -0.174 4.163 4.320 0.027 0.000 0.217 186 A C 2.001 179.570 177.584 -0.024 0.000 1.175 186 A CA 1.943 53.973 52.037 -0.013 0.000 0.627 186 A CB -0.429 18.570 19.000 -0.002 0.000 0.815 186 A HN 0.420 nan 8.150 nan 0.000 0.443 187 E N -0.393 119.789 120.200 -0.030 0.000 2.140 187 E HA -0.024 4.342 4.350 0.027 0.000 0.191 187 E C 1.759 178.304 176.600 -0.091 0.000 0.973 187 E CA 1.052 57.423 56.400 -0.049 0.000 0.829 187 E CB -0.219 29.457 29.700 -0.039 0.000 0.781 187 E HN 0.208 nan 8.360 nan 0.000 0.466 188 V N 1.051 120.911 119.914 -0.091 0.000 2.469 188 V HA -0.250 3.887 4.120 0.027 0.000 0.251 188 V C 2.329 178.365 176.094 -0.098 0.000 1.064 188 V CA 1.814 64.041 62.300 -0.121 0.000 1.066 188 V CB -0.924 30.847 31.823 -0.086 0.000 0.667 188 V HN 0.415 nan 8.190 nan 0.000 0.461 189 A N -1.223 121.558 122.820 -0.064 0.000 1.968 189 A HA -0.136 4.200 4.320 0.027 0.000 0.217 189 A C 2.445 180.001 177.584 -0.047 0.000 1.169 189 A CA 1.942 53.951 52.037 -0.047 0.000 0.638 189 A CB -0.373 18.609 19.000 -0.031 0.000 0.812 189 A HN 0.450 nan 8.150 nan 0.000 0.446 190 S N -0.948 114.721 115.700 -0.051 0.000 2.503 190 S HA 0.071 4.557 4.470 0.027 0.000 0.215 190 S C 1.063 175.634 174.600 -0.049 0.000 1.003 190 S CA -0.207 57.970 58.200 -0.038 0.000 0.910 190 S CB -0.226 62.959 63.200 -0.025 0.000 0.790 190 S HN 0.706 nan 8.310 nan 0.000 0.514 191 R N 1.589 122.035 120.500 -0.090 0.000 2.543 191 R HA 0.222 4.578 4.340 0.027 0.000 0.277 191 R C -0.830 175.425 176.300 -0.074 0.000 1.074 191 R CA -0.239 55.793 56.100 -0.113 0.000 1.076 191 R CB 0.125 30.265 30.300 -0.266 0.000 0.993 191 R HN 0.031 nan 8.270 nan 0.000 0.459 192 D N 3.607 123.996 120.400 -0.019 0.000 2.312 192 D HA 0.171 4.827 4.640 0.027 0.000 0.252 192 D C -1.730 174.604 176.300 0.057 0.000 1.150 192 D CA -2.182 51.828 54.000 0.016 0.000 0.870 192 D CB 1.637 42.456 40.800 0.032 0.000 1.153 192 D HN 0.332 nan 8.370 nan 0.000 0.457 193 P HA -0.142 nan 4.420 nan 0.000 0.214 193 P C 0.834 178.181 177.300 0.079 0.000 1.163 193 P CA 1.486 64.633 63.100 0.079 0.000 0.883 193 P CB 0.218 31.937 31.700 0.032 0.000 0.788 194 K N -0.614 119.803 120.400 0.028 0.000 2.026 194 K HA -0.092 4.244 4.320 0.027 0.000 0.208 194 K C 2.061 178.649 176.600 -0.020 0.000 1.048 194 K CA 1.243 57.520 56.287 -0.017 0.000 0.929 194 K CB -0.763 31.721 32.500 -0.027 0.000 0.713 194 K HN 0.104 nan 8.250 nan 0.000 0.439 195 L N -0.387 120.855 121.223 0.032 0.000 2.217 195 L HA -0.137 4.220 4.340 0.027 0.000 0.211 195 L C 2.298 179.234 176.870 0.110 0.000 1.107 195 L CA 0.633 55.501 54.840 0.047 0.000 0.783 195 L CB -0.276 41.824 42.059 0.068 0.000 0.919 195 L HN 0.200 nan 8.230 nan 0.000 0.442 196 Y N 0.689 120.995 120.300 0.009 0.000 2.314 196 Y HA -0.099 4.467 4.550 0.027 0.000 0.293 196 Y C 2.341 178.283 175.900 0.070 0.000 1.129 196 Y CA 0.777 58.902 58.100 0.042 0.000 1.201 196 Y CB -0.101 38.372 38.460 0.022 0.000 0.999 196 Y HN 0.076 nan 8.280 nan 0.000 0.541 197 A N -0.697 122.088 122.820 -0.058 0.000 2.021 197 A HA -0.003 4.333 4.320 0.027 0.000 0.216 197 A C 1.988 179.498 177.584 -0.124 0.000 1.163 197 A CA 1.332 53.286 52.037 -0.138 0.000 0.676 197 A CB -0.441 18.485 19.000 -0.123 0.000 0.818 197 A HN 0.509 nan 8.150 nan 0.000 0.453 198 M N -0.493 118.965 119.600 -0.237 0.000 2.414 198 M HA 0.081 4.577 4.480 0.027 0.000 0.251 198 M C 0.299 176.249 176.300 -0.584 0.000 1.116 198 M CA 0.291 55.277 55.300 -0.523 0.000 1.056 198 M CB 0.092 32.366 32.600 -0.543 0.000 1.388 198 M HN 0.701 nan 8.290 nan 0.000 0.487 199 H N -1.150 117.923 119.070 0.005 0.000 2.404 199 H HA -0.102 4.470 4.556 0.027 0.000 0.323 199 H C -2.362 173.052 175.328 0.144 0.000 1.029 199 H CA -0.193 55.887 56.048 0.052 0.000 1.111 199 H CB -2.373 27.381 29.762 -0.014 0.000 1.524 199 H HN 0.195 nan 8.280 nan 0.000 0.394 200 P HA -0.142 nan 4.420 nan 0.000 0.259 200 P C 0.245 177.692 177.300 0.245 0.000 1.163 200 P CA 0.494 63.702 63.100 0.181 0.000 0.760 200 P CB 0.261 32.049 31.700 0.147 0.000 0.762 201 W N 7.150 128.497 121.300 0.080 0.000 2.295 201 W HA 0.408 5.084 4.660 0.026 0.000 0.333 201 W C -1.047 175.443 176.519 -0.049 0.000 0.990 201 W CA -1.034 56.348 57.345 0.062 0.000 1.453 201 W CB -0.022 29.520 29.460 0.137 0.000 1.263 201 W HN 0.218 nan 8.180 nan 0.000 0.380 202 V N 2.854 122.814 119.914 0.077 0.000 3.158 202 V HA 0.905 5.041 4.120 0.027 0.000 0.315 202 V C -0.570 175.505 176.094 -0.032 0.000 1.148 202 V CA -0.878 61.291 62.300 -0.219 0.000 1.042 202 V CB 1.388 32.911 31.823 -0.500 0.000 1.101 202 V HN 0.377 nan 8.190 nan 0.000 0.448 203 T N -0.621 113.881 114.554 -0.087 0.000 2.903 203 T HA 0.518 4.884 4.350 0.027 0.000 0.299 203 T C -0.088 174.595 174.700 -0.028 0.000 1.093 203 T CA 0.009 62.103 62.100 -0.009 0.000 1.002 203 T CB 1.992 70.860 68.868 0.001 0.000 1.127 203 T HN 0.879 nan 8.240 nan 0.000 0.488 204 S N 2.474 118.175 115.700 0.001 0.000 2.506 204 S HA 0.320 4.807 4.470 0.027 0.000 0.245 204 S C 0.249 174.850 174.600 0.002 0.000 1.088 204 S CA -0.489 57.710 58.200 -0.001 0.000 1.099 204 S CB -0.168 63.036 63.200 0.008 0.000 0.805 204 S HN 0.517 nan 8.310 nan 0.000 0.461 205 K N 2.410 122.807 120.400 -0.005 0.000 2.177 205 K HA 0.456 4.792 4.320 0.027 0.000 0.238 205 K C -2.694 173.899 176.600 -0.012 0.000 1.015 205 K CA -2.084 54.198 56.287 -0.008 0.000 0.922 205 K CB 0.309 32.801 32.500 -0.012 0.000 1.127 205 K HN 0.011 nan 8.250 nan 0.000 0.469 206 P HA 0.152 nan 4.420 nan 0.000 0.301 206 P C -0.889 176.382 177.300 -0.047 0.000 1.338 206 P CA -0.682 62.424 63.100 0.010 0.000 0.834 206 P CB 0.735 32.457 31.700 0.036 0.000 0.967 207 L N 6.916 128.081 121.223 -0.097 0.000 2.667 207 L HA 0.054 4.410 4.340 0.027 0.000 0.278 207 L C -1.935 174.760 176.870 -0.293 0.000 1.217 207 L CA -0.573 54.075 54.840 -0.321 0.000 0.935 207 L CB -1.043 40.597 42.059 -0.698 0.000 1.193 207 L HN 0.333 nan 8.230 nan 0.000 0.493 208 P HA 0.028 nan 4.420 nan 0.000 0.271 208 P C 0.480 177.564 177.300 -0.360 0.000 1.233 208 P CA -0.203 62.590 63.100 -0.513 0.000 0.789 208 P CB 0.453 31.401 31.700 -1.253 0.000 0.951 209 E N 0.329 120.443 120.200 -0.143 0.000 2.114 209 E HA -0.264 4.103 4.350 0.027 0.000 0.199 209 E C 1.782 178.423 176.600 0.068 0.000 1.008 209 E CA 1.772 58.221 56.400 0.083 0.000 0.810 209 E CB -0.572 29.197 29.700 0.114 0.000 0.739 209 E HN 0.657 nan 8.360 nan 0.000 0.456 210 Y N -0.784 119.544 120.300 0.046 0.000 2.263 210 Y HA -0.038 4.528 4.550 0.026 0.000 0.292 210 Y C 1.950 177.832 175.900 -0.030 0.000 1.130 210 Y CA 0.240 58.341 58.100 0.001 0.000 1.179 210 Y CB -0.545 37.882 38.460 -0.055 0.000 0.998 210 Y HN -0.104 nan 8.280 nan 0.000 0.532 211 L N -0.888 120.185 121.223 -0.249 0.000 2.551 211 L HA -0.014 4.342 4.340 0.027 0.000 0.228 211 L C 1.489 178.196 176.870 -0.272 0.000 1.153 211 L CA 0.878 55.568 54.840 -0.249 0.000 0.851 211 L CB -0.877 40.944 42.059 -0.396 0.000 0.959 211 L HN 0.358 nan 8.230 nan 0.000 0.451 212 W N -0.332 120.918 121.300 -0.082 0.000 2.494 212 W HA -0.071 4.605 4.660 0.026 0.000 0.286 212 W C 2.422 178.928 176.519 -0.021 0.000 1.218 212 W CA 0.745 58.059 57.345 -0.053 0.000 1.313 212 W CB 0.038 29.464 29.460 -0.056 0.000 1.105 212 W HN -0.001 nan 8.180 nan 0.000 0.561 213 K N 1.141 121.678 120.400 0.227 0.000 2.574 213 K HA -0.003 4.333 4.320 0.027 0.000 0.193 213 K C 1.294 177.957 176.600 0.106 0.000 1.035 213 K CA 1.698 58.075 56.287 0.150 0.000 0.982 213 K CB -1.419 31.156 32.500 0.124 0.000 0.795 213 K HN 0.266 nan 8.250 nan 0.000 0.491 214 K N -0.393 120.058 120.400 0.085 0.000 2.440 214 K HA 0.651 4.987 4.320 0.027 0.000 0.206 214 K C 2.108 178.746 176.600 0.064 0.000 1.025 214 K CA 0.651 56.966 56.287 0.047 0.000 1.135 214 K CB -1.296 31.201 32.500 -0.004 0.000 0.856 214 K HN 0.584 nan 8.250 nan 0.000 0.502 215 I N -0.741 119.909 120.570 0.134 0.000 2.044 215 I HA 0.286 4.472 4.170 0.027 0.000 0.234 215 I C 2.095 178.289 176.117 0.127 0.000 1.031 215 I CA 2.361 63.775 61.300 0.190 0.000 1.305 215 I CB -1.538 36.634 38.000 0.286 0.000 1.026 215 I HN 1.836 nan 8.210 nan 0.000 0.392 216 A N -1.001 121.888 122.820 0.115 0.000 3.434 216 A HA 0.432 4.768 4.320 0.027 0.000 0.248 216 A C 1.287 178.922 177.584 0.086 0.000 1.326 216 A CA 1.454 53.556 52.037 0.110 0.000 0.792 216 A CB -2.700 16.392 19.000 0.154 0.000 1.015 216 A HN 2.922 nan 8.150 nan 0.000 0.533 217 N N -0.579 118.163 118.700 0.071 0.000 2.696 217 N HA -0.043 4.713 4.740 0.027 0.000 0.256 217 N C 0.724 176.250 175.510 0.026 0.000 1.031 217 N CA 1.879 54.953 53.050 0.039 0.000 0.730 217 N CB -2.145 36.361 38.487 0.030 0.000 0.894 217 N HN 2.534 nan 8.380 nan 0.000 0.544 218 N N -2.739 115.994 118.700 0.056 0.000 2.735 218 N HA -0.154 4.602 4.740 0.027 0.000 0.248 218 N C -0.384 175.127 175.510 0.002 0.000 1.083 218 N CA 1.433 54.516 53.050 0.055 0.000 0.703 218 N CB -1.364 37.130 38.487 0.012 0.000 1.005 218 N HN 1.676 nan 8.380 nan 0.000 0.550 219 C N 0.248 119.535 119.300 -0.022 0.000 2.516 219 C HA 0.840 5.316 4.460 0.027 0.000 0.338 219 C C -0.053 174.839 174.990 -0.163 0.000 1.132 219 C CA -0.138 58.787 59.018 -0.155 0.000 1.310 219 C CB 0.216 27.814 27.740 -0.238 0.000 1.898 219 C HN 0.486 nan 8.230 nan 0.000 0.452 220 I N 4.493 124.941 120.570 -0.204 0.000 2.406 220 I HA 0.804 4.990 4.170 0.027 0.000 0.290 220 I C -0.852 175.145 176.117 -0.199 0.000 0.999 220 I CA -0.593 60.633 61.300 -0.123 0.000 1.124 220 I CB 0.997 38.949 38.000 -0.079 0.000 1.289 220 I HN 0.661 nan 8.210 nan 0.000 0.441 221 F N 5.788 125.705 119.950 -0.056 0.000 2.408 221 F HA 0.770 5.313 4.527 0.027 0.000 0.344 221 F C 0.337 176.083 175.800 -0.089 0.000 1.112 221 F CA -0.503 57.461 58.000 -0.060 0.000 1.096 221 F CB 1.401 40.367 39.000 -0.057 0.000 1.129 221 F HN 0.399 nan 8.300 nan 0.000 0.486 222 I N 4.112 124.728 120.570 0.077 0.000 2.466 222 I HA 0.354 4.540 4.170 0.027 0.000 0.289 222 I C -1.088 175.025 176.117 -0.007 0.000 1.026 222 I CA -0.948 60.349 61.300 -0.006 0.000 1.078 222 I CB 1.966 39.938 38.000 -0.047 0.000 1.249 222 I HN 0.152 nan 8.210 nan 0.000 0.429 223 V N 7.163 127.047 119.914 -0.050 0.000 2.427 223 V HA 0.487 4.623 4.120 0.027 0.000 0.286 223 V C 0.101 176.263 176.094 0.114 0.000 1.034 223 V CA -0.376 61.917 62.300 -0.013 0.000 0.893 223 V CB 1.828 33.581 31.823 -0.117 0.000 0.982 223 V HN 0.465 nan 8.190 nan 0.000 0.452 224 I N 4.440 125.061 120.570 0.084 0.000 2.603 224 I HA 0.553 4.739 4.170 0.027 0.000 0.300 224 I C -0.546 175.702 176.117 0.218 0.000 1.017 224 I CA -0.585 60.796 61.300 0.135 0.000 1.098 224 I CB 1.839 39.706 38.000 -0.221 0.000 1.279 224 I HN 0.647 nan 8.210 nan 0.000 0.437 225 H N 4.727 123.796 119.070 -0.002 0.000 2.924 225 H HA 0.372 4.944 4.556 0.027 0.000 0.333 225 H C 0.173 175.517 175.328 0.026 0.000 0.979 225 H CA -0.931 55.139 56.048 0.037 0.000 1.326 225 H CB 2.424 32.219 29.762 0.054 0.000 1.600 225 H HN 0.447 nan 8.280 nan 0.000 0.520 226 R N 1.527 122.119 120.500 0.153 0.000 2.064 226 R HA 0.111 4.467 4.340 0.027 0.000 0.221 226 R C 0.856 177.223 176.300 0.112 0.000 1.136 226 R CA 0.978 57.148 56.100 0.116 0.000 0.980 226 R CB 0.206 30.568 30.300 0.104 0.000 0.876 226 R HN 0.493 nan 8.270 nan 0.000 0.437 227 S N -1.441 114.321 115.700 0.103 0.000 3.597 227 S HA 0.030 4.516 4.470 0.027 0.000 0.206 227 S C 1.176 175.827 174.600 0.084 0.000 0.948 227 S CA 0.631 58.882 58.200 0.085 0.000 0.863 227 S CB 0.625 63.866 63.200 0.069 0.000 1.015 227 S HN 0.503 nan 8.310 nan 0.000 0.616 228 T N 0.769 115.366 114.554 0.073 0.000 3.091 228 T HA 0.294 4.660 4.350 0.027 0.000 0.277 228 T C 0.363 175.095 174.700 0.052 0.000 0.996 228 T CA -0.182 61.957 62.100 0.065 0.000 0.897 228 T CB 0.019 68.914 68.868 0.045 0.000 1.109 228 T HN 0.249 nan 8.240 nan 0.000 0.534 229 T N 2.673 117.261 114.554 0.057 0.000 2.824 229 T HA 0.659 5.025 4.350 0.027 0.000 0.277 229 T C -0.095 174.585 174.700 -0.033 0.000 0.975 229 T CA -0.401 61.717 62.100 0.029 0.000 0.966 229 T CB 1.200 70.102 68.868 0.056 0.000 1.054 229 T HN 0.673 nan 8.240 nan 0.000 0.533 230 S N -1.476 114.183 115.700 -0.068 0.000 2.604 230 S HA 0.557 5.043 4.470 0.027 0.000 0.296 230 S C -1.399 173.158 174.600 -0.071 0.000 1.097 230 S CA -0.648 57.429 58.200 -0.205 0.000 0.883 230 S CB 0.493 63.457 63.200 -0.393 0.000 1.081 230 S HN 1.252 nan 8.310 nan 0.000 0.448 231 Q N 1.442 121.228 119.800 -0.024 0.000 2.961 231 Q HA 0.614 4.970 4.340 0.027 0.000 0.223 231 Q C -0.065 175.978 176.000 0.072 0.000 0.859 231 Q CA -0.473 55.361 55.803 0.052 0.000 0.771 231 Q CB 0.382 29.199 28.738 0.132 0.000 1.389 231 Q HN 1.218 nan 8.270 nan 0.000 0.460 232 T N 1.983 116.568 114.554 0.051 0.000 2.898 232 T HA 0.330 4.696 4.350 0.027 0.000 0.331 232 T C 0.522 175.309 174.700 0.145 0.000 1.085 232 T CA 0.817 62.978 62.100 0.102 0.000 1.129 232 T CB -0.089 68.849 68.868 0.116 0.000 1.054 232 T HN 0.697 nan 8.240 nan 0.000 0.540 233 I N 1.748 122.414 120.570 0.161 0.000 2.611 233 I HA 0.224 4.410 4.170 0.027 0.000 0.287 233 I C -0.029 176.066 176.117 -0.038 0.000 1.184 233 I CA -0.925 60.426 61.300 0.086 0.000 1.054 233 I CB 1.971 40.015 38.000 0.074 0.000 1.257 233 I HN 0.480 nan 8.210 nan 0.000 0.435 234 K N 3.998 124.306 120.400 -0.153 0.000 2.448 234 K HA 0.448 4.784 4.320 0.027 0.000 0.278 234 K C -0.683 175.776 176.600 -0.236 0.000 1.009 234 K CA 0.045 56.082 56.287 -0.417 0.000 0.995 234 K CB 1.331 33.616 32.500 -0.358 0.000 0.917 234 K HN 0.264 nan 8.250 nan 0.000 0.481 235 V N 1.293 121.053 119.914 -0.257 0.000 3.049 235 V HA 0.170 4.306 4.120 0.027 0.000 0.309 235 V C -0.641 175.382 176.094 -0.118 0.000 1.148 235 V CA -0.801 61.415 62.300 -0.141 0.000 0.990 235 V CB 2.336 34.093 31.823 -0.110 0.000 1.039 235 V HN 0.838 nan 8.190 nan 0.000 0.430 236 S N 3.340 119.002 115.700 -0.063 0.000 2.586 236 S HA 0.432 4.918 4.470 0.027 0.000 0.274 236 S C -1.734 172.867 174.600 0.000 0.000 1.281 236 S CA -1.264 56.922 58.200 -0.024 0.000 1.035 236 S CB 1.609 64.806 63.200 -0.006 0.000 0.962 236 S HN 0.582 nan 8.310 nan 0.000 0.512 237 P HA -0.050 nan 4.420 nan 0.000 0.218 237 P C 0.265 177.599 177.300 0.058 0.000 1.148 237 P CA 1.057 64.187 63.100 0.049 0.000 0.822 237 P CB 0.075 31.865 31.700 0.150 0.000 0.784 238 D N -1.071 119.373 120.400 0.073 0.000 2.336 238 D HA 0.007 4.664 4.640 0.027 0.000 0.229 238 D C 0.010 176.339 176.300 0.049 0.000 1.061 238 D CA 0.486 54.527 54.000 0.068 0.000 0.875 238 D CB -0.283 40.558 40.800 0.068 0.000 0.904 238 D HN 0.199 nan 8.370 nan 0.000 0.525 239 D N 1.235 121.653 120.400 0.030 0.000 2.399 239 D HA 0.023 4.679 4.640 0.027 0.000 0.241 239 D C 1.002 177.321 176.300 0.032 0.000 1.133 239 D CA 0.386 54.397 54.000 0.018 0.000 0.890 239 D CB 0.994 41.788 40.800 -0.010 0.000 1.201 239 D HN 0.031 nan 8.370 nan 0.000 0.432 240 T N -0.903 113.672 114.554 0.036 0.000 2.862 240 T HA 0.383 4.749 4.350 0.027 0.000 0.276 240 T C -1.886 172.817 174.700 0.004 0.000 0.974 240 T CA -1.558 60.574 62.100 0.054 0.000 0.966 240 T CB 1.526 70.437 68.868 0.071 0.000 1.072 240 T HN -0.025 nan 8.240 nan 0.000 0.538 241 P HA 0.015 nan 4.420 nan 0.000 0.214 241 P C 1.843 179.133 177.300 -0.016 0.000 1.163 241 P CA 1.594 64.663 63.100 -0.053 0.000 0.883 241 P CB -0.616 31.061 31.700 -0.038 0.000 0.788 242 G N 0.497 109.312 108.800 0.025 0.000 2.491 242 G HA2 -0.327 3.649 3.960 0.027 0.000 0.218 242 G HA3 -0.327 3.649 3.960 0.027 0.000 0.218 242 G C 1.663 176.585 174.900 0.036 0.000 1.180 242 G CA 1.306 46.431 45.100 0.041 0.000 0.774 242 G HN 0.359 nan 8.290 nan 0.000 0.562 243 A N -0.153 122.686 122.820 0.033 0.000 2.194 243 A HA 0.065 4.401 4.320 0.027 0.000 0.220 243 A C 2.208 179.802 177.584 0.017 0.000 1.162 243 A CA 1.327 53.382 52.037 0.030 0.000 0.674 243 A CB -0.284 18.731 19.000 0.026 0.000 0.789 243 A HN 0.471 nan 8.150 nan 0.000 0.470 244 I N -2.063 118.503 120.570 -0.007 0.000 4.139 244 I HA 0.021 4.207 4.170 0.027 0.000 0.320 244 I C 1.398 177.487 176.117 -0.046 0.000 1.290 244 I CA 0.186 61.469 61.300 -0.028 0.000 1.253 244 I CB 0.189 38.150 38.000 -0.065 0.000 1.122 244 I HN 0.181 nan 8.210 nan 0.000 0.421 245 L N 0.260 121.435 121.223 -0.079 0.000 2.395 245 L HA -0.053 4.303 4.340 0.027 0.000 0.218 245 L C 2.364 179.208 176.870 -0.043 0.000 1.130 245 L CA 0.994 55.722 54.840 -0.186 0.000 0.826 245 L CB -0.486 41.450 42.059 -0.206 0.000 0.941 245 L HN 0.170 nan 8.230 nan 0.000 0.451 246 Q N -0.150 119.691 119.800 0.069 0.000 2.083 246 Q HA -0.152 4.204 4.340 0.027 0.000 0.198 246 Q C 2.471 178.542 176.000 0.118 0.000 0.969 246 Q CA 1.711 57.597 55.803 0.138 0.000 0.838 246 Q CB -0.025 28.772 28.738 0.099 0.000 0.900 246 Q HN 0.484 nan 8.270 nan 0.000 0.436 247 S N -1.109 114.639 115.700 0.080 0.000 2.489 247 S HA -0.056 4.430 4.470 0.027 0.000 0.228 247 S C 1.613 176.263 174.600 0.083 0.000 0.995 247 S CA 0.338 58.578 58.200 0.066 0.000 0.934 247 S CB -0.302 62.924 63.200 0.043 0.000 0.771 247 S HN 0.489 nan 8.310 nan 0.000 0.522 248 F N 0.847 120.747 119.950 -0.084 0.000 2.317 248 F HA 0.354 4.897 4.527 0.027 0.000 0.293 248 F C 1.573 177.338 175.800 -0.058 0.000 1.085 248 F CA 0.364 58.290 58.000 -0.122 0.000 1.390 248 F CB -0.204 38.651 39.000 -0.242 0.000 1.077 248 F HN 0.212 nan 8.300 nan 0.000 0.517 249 F N 0.645 120.615 119.950 0.033 0.000 2.216 249 F HA -0.191 4.353 4.527 0.027 0.000 0.300 249 F C 2.543 178.258 175.800 -0.141 0.000 1.085 249 F CA 1.328 59.278 58.000 -0.084 0.000 1.326 249 F CB -0.369 38.652 39.000 0.035 0.000 1.027 249 F HN 0.114 nan 8.300 nan 0.000 0.497 250 T N -2.876 111.734 114.554 0.094 0.000 3.065 250 T HA 0.106 4.472 4.350 0.027 0.000 0.252 250 T C 1.614 176.288 174.700 -0.044 0.000 1.099 250 T CA 0.820 62.934 62.100 0.023 0.000 1.063 250 T CB -0.102 68.791 68.868 0.041 0.000 0.948 250 T HN 0.202 nan 8.240 nan 0.000 0.506 251 K N 0.166 120.503 120.400 -0.104 0.000 2.393 251 K HA 0.781 5.117 4.320 0.027 0.000 0.193 251 K C 0.939 177.407 176.600 -0.219 0.000 1.026 251 K CA 0.843 57.050 56.287 -0.135 0.000 1.064 251 K CB -0.502 31.931 32.500 -0.111 0.000 0.833 251 K HN 0.860 nan 8.250 nan 0.000 0.521 268 Q N 0.739 120.645 119.800 0.176 0.000 2.217 268 Q HA 0.228 4.584 4.340 0.027 0.000 0.217 268 Q C 0.774 176.933 176.000 0.264 0.000 0.844 268 Q CA 0.545 56.502 55.803 0.256 0.000 0.957 268 Q CB -0.359 28.470 28.738 0.151 0.000 1.127 268 Q HN 0.614 nan 8.270 nan 0.000 0.503 269 D N -0.514 119.992 120.400 0.176 0.000 3.134 269 D HA 0.255 4.911 4.640 0.027 0.000 0.248 269 D C -1.072 175.104 176.300 -0.207 0.000 1.273 269 D CA -0.331 53.655 54.000 -0.023 0.000 0.904 269 D CB -0.653 40.068 40.800 -0.133 0.000 1.089 269 D HN 0.287 nan 8.370 nan 0.000 0.478 270 F N 0.150 120.170 119.950 0.118 0.000 2.529 270 F HA 0.326 4.869 4.527 0.027 0.000 0.320 270 F C -0.153 175.665 175.800 0.030 0.000 1.118 270 F CA -1.175 56.878 58.000 0.087 0.000 0.915 270 F CB 2.335 41.419 39.000 0.139 0.000 1.161 270 F HN -0.131 nan 8.300 nan 0.000 0.445 271 V N 5.468 125.475 119.914 0.154 0.000 2.495 271 V HA 0.476 4.612 4.120 0.027 0.000 0.298 271 V C -0.481 175.674 176.094 0.101 0.000 1.031 271 V CA -0.851 61.505 62.300 0.093 0.000 0.871 271 V CB 1.762 33.606 31.823 0.036 0.000 0.988 271 V HN 0.622 nan 8.190 nan 0.000 0.432 272 L N 7.433 128.677 121.223 0.036 0.000 2.623 272 L HA 0.343 4.699 4.340 0.027 0.000 0.281 272 L C 0.875 177.756 176.870 0.018 0.000 1.150 272 L CA 0.357 55.189 54.840 -0.014 0.000 0.965 272 L CB -0.263 41.742 42.059 -0.089 0.000 1.303 272 L HN 0.623 nan 8.230 nan 0.000 0.467 273 R N 2.129 122.631 120.500 0.003 0.000 2.500 273 R HA 0.462 4.819 4.340 0.027 0.000 0.275 273 R C -0.610 175.560 176.300 -0.217 0.000 1.051 273 R CA -0.620 55.386 56.100 -0.157 0.000 1.088 273 R CB 1.462 31.666 30.300 -0.161 0.000 1.063 273 R HN 0.286 nan 8.270 nan 0.000 0.511 274 V N 2.848 122.547 119.914 -0.359 0.000 2.686 274 V HA 0.102 4.238 4.120 0.027 0.000 0.295 274 V C 0.033 175.961 176.094 -0.277 0.000 1.057 274 V CA -0.590 61.517 62.300 -0.322 0.000 1.012 274 V CB 1.498 32.903 31.823 -0.698 0.000 1.006 274 V HN 0.870 nan 8.190 nan 0.000 0.477 275 C N 4.546 123.755 119.300 -0.152 0.000 2.619 275 C HA 0.525 5.001 4.460 0.027 0.000 0.389 275 C C 1.437 176.339 174.990 -0.146 0.000 1.314 275 C CA 0.775 59.702 59.018 -0.151 0.000 1.678 275 C CB -1.159 26.491 27.740 -0.150 0.000 2.398 275 C HN 1.283 nan 8.230 nan 0.000 0.582 276 G N 4.072 112.770 108.800 -0.169 0.000 2.218 276 G HA2 -0.147 3.829 3.960 0.027 0.000 0.216 276 G HA3 -0.147 3.829 3.960 0.027 0.000 0.216 276 G C 0.010 174.797 174.900 -0.190 0.000 0.994 276 G CA -0.260 44.754 45.100 -0.143 0.000 0.637 276 G HN 0.659 nan 8.290 nan 0.000 0.505 277 R N -0.280 120.053 120.500 -0.278 0.000 2.888 277 R HA 0.555 4.911 4.340 0.027 0.000 0.264 277 R C -1.355 174.734 176.300 -0.353 0.000 1.045 277 R CA -0.890 55.019 56.100 -0.319 0.000 0.962 277 R CB 0.939 30.968 30.300 -0.451 0.000 1.210 277 R HN -0.022 nan 8.270 nan 0.000 0.479 278 D N 1.288 121.507 120.400 -0.303 0.000 3.168 278 D HA 0.114 4.770 4.640 0.027 0.000 0.255 278 D C -0.757 175.338 176.300 -0.341 0.000 1.314 278 D CA 0.139 53.944 54.000 -0.325 0.000 0.900 278 D CB 0.350 41.069 40.800 -0.136 0.000 1.072 278 D HN 0.224 nan 8.370 nan 0.000 0.487 279 E N 0.203 120.097 120.200 -0.510 0.000 2.179 279 E HA 0.339 4.705 4.350 0.027 0.000 0.275 279 E C -1.390 174.877 176.600 -0.555 0.000 0.945 279 E CA -0.648 55.505 56.400 -0.412 0.000 0.792 279 E CB 0.840 30.287 29.700 -0.422 0.000 1.125 279 E HN 0.067 nan 8.360 nan 0.000 0.397 280 Y N 3.267 123.476 120.300 -0.152 0.000 2.364 280 Y HA 0.385 4.951 4.550 0.027 0.000 0.340 280 Y C -0.551 175.355 175.900 0.011 0.000 0.975 280 Y CA -1.119 56.911 58.100 -0.116 0.000 1.089 280 Y CB 1.283 39.635 38.460 -0.181 0.000 1.192 280 Y HN 0.361 nan 8.280 nan 0.000 0.454 281 L N 5.356 126.633 121.223 0.090 0.000 2.475 281 L HA 0.410 4.766 4.340 0.027 0.000 0.253 281 L C -0.389 176.434 176.870 -0.077 0.000 1.137 281 L CA -0.211 54.541 54.840 -0.148 0.000 1.058 281 L CB 0.295 42.187 42.059 -0.279 0.000 1.382 281 L HN 0.445 nan 8.230 nan 0.000 0.416 282 V N 0.966 120.995 119.914 0.192 0.000 3.040 282 V HA 1.036 5.172 4.120 0.027 0.000 0.312 282 V C 0.123 176.408 176.094 0.319 0.000 1.115 282 V CA 0.375 62.782 62.300 0.178 0.000 0.998 282 V CB 1.699 33.575 31.823 0.089 0.000 1.042 282 V HN 0.768 nan 8.190 nan 0.000 0.433 283 G N 3.451 112.370 108.800 0.198 0.000 2.631 283 G HA2 -0.053 3.923 3.960 0.027 0.000 0.504 283 G HA3 -0.053 3.923 3.960 0.027 0.000 0.504 283 G C -0.724 174.285 174.900 0.182 0.000 1.306 283 G CA -0.053 45.149 45.100 0.169 0.000 0.897 283 G HN 1.038 nan 8.290 nan 0.000 0.520 284 E N 1.510 121.783 120.200 0.123 0.000 2.122 284 E HA 0.440 4.806 4.350 0.027 0.000 0.288 284 E C 0.056 176.718 176.600 0.104 0.000 1.260 284 E CA 0.254 56.716 56.400 0.105 0.000 1.344 284 E CB 0.143 29.884 29.700 0.068 0.000 1.337 284 E HN 0.647 nan 8.360 nan 0.000 0.484 285 T N 0.441 115.103 114.554 0.180 0.000 2.916 285 T HA 0.397 4.763 4.350 0.027 0.000 0.298 285 T C -2.707 172.157 174.700 0.274 0.000 1.031 285 T CA -1.947 60.249 62.100 0.161 0.000 0.993 285 T CB 2.112 70.961 68.868 -0.032 0.000 1.045 285 T HN -0.076 nan 8.240 nan 0.000 0.454 286 P HA 0.068 nan 4.420 nan 0.000 0.265 286 P C 0.928 178.377 177.300 0.248 0.000 1.187 286 P CA -0.344 62.849 63.100 0.155 0.000 0.766 286 P CB 0.181 31.941 31.700 0.100 0.000 0.820 287 I N 2.014 122.670 120.570 0.144 0.000 3.001 287 I HA -0.128 4.058 4.170 0.027 0.000 0.268 287 I C 1.596 177.783 176.117 0.117 0.000 1.267 287 I CA 1.043 62.401 61.300 0.096 0.000 1.472 287 I CB -1.377 36.550 38.000 -0.121 0.000 1.089 287 I HN 0.262 nan 8.210 nan 0.000 0.468 288 K N 0.213 120.648 120.400 0.059 0.000 2.439 288 K HA 0.017 4.353 4.320 0.027 0.000 0.197 288 K C 0.851 177.437 176.600 -0.024 0.000 1.041 288 K CA 1.050 57.312 56.287 -0.041 0.000 0.970 288 K CB -0.382 32.062 32.500 -0.092 0.000 0.773 288 K HN 0.218 nan 8.250 nan 0.000 0.479 289 N N -0.093 118.658 118.700 0.085 0.000 2.187 289 N HA 0.179 4.935 4.740 0.027 0.000 0.212 289 N C -1.182 174.308 175.510 -0.034 0.000 1.152 289 N CA -0.211 52.842 53.050 0.005 0.000 0.872 289 N CB 0.300 38.779 38.487 -0.015 0.000 1.025 289 N HN 0.031 nan 8.380 nan 0.000 0.514 290 F N 0.995 120.903 119.950 -0.070 0.000 2.396 290 F HA 0.269 4.812 4.527 0.027 0.000 0.343 290 F C 1.803 177.504 175.800 -0.165 0.000 1.104 290 F CA -0.451 57.508 58.000 -0.068 0.000 1.161 290 F CB 1.291 40.297 39.000 0.010 0.000 1.146 290 F HN -0.135 nan 8.300 nan 0.000 0.522 291 Q N 2.848 122.519 119.800 -0.215 0.000 2.230 291 Q HA -0.190 4.166 4.340 0.027 0.000 0.202 291 Q C 2.147 177.997 176.000 -0.250 0.000 0.963 291 Q CA 0.991 56.510 55.803 -0.474 0.000 0.866 291 Q CB -0.323 27.616 28.738 -1.332 0.000 0.931 291 Q HN 0.913 nan 8.270 nan 0.000 0.452 292 W N 0.590 121.746 121.300 -0.240 0.000 2.402 292 W HA -0.134 4.542 4.660 0.027 0.000 0.286 292 W C 1.241 177.764 176.519 0.007 0.000 1.221 292 W CA 0.954 58.247 57.345 -0.087 0.000 1.257 292 W CB 0.344 29.803 29.460 0.000 0.000 1.120 292 W HN -0.089 nan 8.180 nan 0.000 0.551 293 V N 1.588 121.434 119.914 -0.113 0.000 2.379 293 V HA -0.177 3.959 4.120 0.027 0.000 0.243 293 V C 2.467 178.411 176.094 -0.251 0.000 1.035 293 V CA 1.555 63.705 62.300 -0.251 0.000 1.035 293 V CB -0.806 30.964 31.823 -0.088 0.000 0.673 293 V HN 0.039 nan 8.190 nan 0.000 0.457 294 R N -0.556 119.839 120.500 -0.174 0.000 2.249 294 R HA -0.183 4.173 4.340 0.027 0.000 0.230 294 R C 2.203 178.401 176.300 -0.169 0.000 1.121 294 R CA 1.363 57.353 56.100 -0.183 0.000 0.997 294 R CB -0.523 29.678 30.300 -0.164 0.000 0.867 294 R HN 0.704 nan 8.270 nan 0.000 0.465 295 H N 0.040 118.931 119.070 -0.298 0.000 2.306 295 H HA -0.058 4.514 4.556 0.027 0.000 0.307 295 H C 1.934 177.058 175.328 -0.341 0.000 1.061 295 H CA 1.414 57.290 56.048 -0.286 0.000 1.359 295 H CB -0.091 29.497 29.762 -0.290 0.000 1.407 295 H HN 0.121 nan 8.280 nan 0.000 0.517 296 C N 1.400 120.308 119.300 -0.654 0.000 2.385 296 C HA -0.184 4.292 4.460 0.027 0.000 0.275 296 C C 3.181 177.925 174.990 -0.410 0.000 1.207 296 C CA 1.149 59.794 59.018 -0.622 0.000 1.760 296 C CB -1.249 26.140 27.740 -0.585 0.000 2.051 296 C HN 0.491 nan 8.230 nan 0.000 0.467 297 L N 0.879 121.911 121.223 -0.318 0.000 1.970 297 L HA -0.220 4.136 4.340 0.027 0.000 0.212 297 L C 2.614 179.366 176.870 -0.195 0.000 1.071 297 L CA 2.126 56.834 54.840 -0.220 0.000 0.751 297 L CB -0.923 41.016 42.059 -0.200 0.000 0.889 297 L HN 0.351 nan 8.230 nan 0.000 0.432 298 K N 0.439 120.721 120.400 -0.198 0.000 2.127 298 K HA -0.234 4.102 4.320 0.027 0.000 0.208 298 K C 1.388 177.885 176.600 -0.172 0.000 1.047 298 K CA 2.187 58.392 56.287 -0.138 0.000 0.927 298 K CB -0.060 32.379 32.500 -0.101 0.000 0.716 298 K HN 0.233 nan 8.250 nan 0.000 0.450 299 N N -0.793 117.741 118.700 -0.277 0.000 2.280 299 N HA 0.134 4.890 4.740 0.027 0.000 0.192 299 N C -0.378 175.024 175.510 -0.180 0.000 1.109 299 N CA 0.767 53.666 53.050 -0.250 0.000 0.855 299 N CB 1.286 39.532 38.487 -0.403 0.000 0.974 299 N HN 0.396 nan 8.380 nan 0.000 0.482 300 G N 0.682 109.384 108.800 -0.164 0.000 2.314 300 G HA2 -0.278 3.698 3.960 0.027 0.000 0.292 300 G HA3 -0.278 3.698 3.960 0.027 0.000 0.292 300 G C -0.194 174.646 174.900 -0.101 0.000 1.059 300 G CA 0.411 45.447 45.100 -0.108 0.000 0.982 300 G HN 0.401 nan 8.290 nan 0.000 0.505 301 E N -0.772 119.343 120.200 -0.141 0.000 2.428 301 E HA 0.579 4.945 4.350 0.027 0.000 0.259 301 E C -0.310 176.237 176.600 -0.088 0.000 0.930 301 E CA -0.938 55.404 56.400 -0.096 0.000 0.823 301 E CB 1.277 30.912 29.700 -0.109 0.000 1.403 301 E HN 0.276 nan 8.360 nan 0.000 0.415 302 E N 1.316 121.511 120.200 -0.008 0.000 2.183 302 E HA 0.249 4.615 4.350 0.027 0.000 0.250 302 E C -0.519 176.034 176.600 -0.079 0.000 0.901 302 E CA -0.190 56.193 56.400 -0.029 0.000 0.741 302 E CB 0.715 30.458 29.700 0.073 0.000 1.182 302 E HN 0.381 nan 8.360 nan 0.000 0.425 303 I N 4.516 125.006 120.570 -0.133 0.000 3.262 303 I HA -0.133 4.053 4.170 0.027 0.000 0.319 303 I C 0.668 176.771 176.117 -0.025 0.000 1.159 303 I CA 0.726 61.985 61.300 -0.068 0.000 2.207 303 I CB -0.899 37.042 38.000 -0.098 0.000 1.674 303 I HN 0.316 nan 8.210 nan 0.000 1.058 304 H N 4.420 123.598 119.070 0.181 0.000 2.562 304 H HA 0.549 5.121 4.556 0.027 0.000 0.352 304 H C -0.167 175.211 175.328 0.082 0.000 1.125 304 H CA -0.237 55.899 56.048 0.147 0.000 1.379 304 H CB 1.911 31.729 29.762 0.094 0.000 1.464 304 H HN 0.160 nan 8.280 nan 0.000 0.563 305 V N 2.449 122.420 119.914 0.095 0.000 2.969 305 V HA 0.117 4.253 4.120 0.027 0.000 0.304 305 V C -0.664 175.398 176.094 -0.052 0.000 1.192 305 V CA -0.885 61.416 62.300 0.001 0.000 0.962 305 V CB 2.526 34.350 31.823 0.001 0.000 1.045 305 V HN 0.546 nan 8.190 nan 0.000 0.428 306 V N 4.062 123.925 119.914 -0.084 0.000 2.376 306 V HA 0.841 4.977 4.120 0.027 0.000 0.287 306 V C 0.073 176.161 176.094 -0.011 0.000 1.015 306 V CA -0.335 61.938 62.300 -0.044 0.000 0.834 306 V CB 1.170 32.954 31.823 -0.065 0.000 1.001 306 V HN 1.484 nan 8.190 nan 0.000 0.428 307 L N 5.953 127.167 121.223 -0.015 0.000 2.534 307 L HA 0.735 5.091 4.340 0.027 0.000 0.271 307 L C 0.203 177.189 176.870 0.192 0.000 1.178 307 L CA 0.993 55.852 54.840 0.031 0.000 0.907 307 L CB -0.594 41.394 42.059 -0.118 0.000 1.164 307 L HN 1.121 nan 8.230 nan 0.000 0.482 308 D N 0.549 121.104 120.400 0.259 0.000 2.865 308 D HA 0.248 4.904 4.640 0.027 0.000 0.343 308 D C -0.366 175.999 176.300 0.108 0.000 1.372 308 D CA 0.276 54.438 54.000 0.271 0.000 0.862 308 D CB 0.710 41.600 40.800 0.151 0.000 1.425 308 D HN 0.410 nan 8.370 nan 0.000 0.501 309 T N 1.525 116.068 114.554 -0.018 0.000 2.853 309 T HA 0.393 4.759 4.350 0.027 0.000 0.298 309 T C -2.294 172.355 174.700 -0.084 0.000 0.978 309 T CA -0.493 61.515 62.100 -0.153 0.000 1.152 309 T CB 0.392 69.174 68.868 -0.143 0.000 0.914 309 T HN 0.191 nan 8.240 nan 0.000 0.539 310 P HA 0.099 nan 4.420 nan 0.000 0.261 310 P C -2.008 175.214 177.300 -0.130 0.000 1.183 310 P CA -0.908 62.107 63.100 -0.140 0.000 0.761 310 P CB -0.351 31.266 31.700 -0.139 0.000 0.785 311 P HA 0.045 nan 4.420 nan 0.000 0.269 311 P C -0.478 176.762 177.300 -0.101 0.000 1.209 311 P CA 0.100 63.140 63.100 -0.100 0.000 0.776 311 P CB 0.652 32.293 31.700 -0.098 0.000 0.876 312 D N 2.872 123.227 120.400 -0.074 0.000 2.325 312 D HA 0.138 4.794 4.640 0.027 0.000 0.251 312 D C -1.513 174.755 176.300 -0.054 0.000 1.196 312 D CA -2.164 51.797 54.000 -0.064 0.000 0.866 312 D CB 0.557 41.323 40.800 -0.057 0.000 1.101 312 D HN 0.106 nan 8.370 nan 0.000 0.476 313 P HA -0.072 nan 4.420 nan 0.000 0.222 313 P C 0.767 178.061 177.300 -0.010 0.000 1.147 313 P CA 0.753 63.845 63.100 -0.013 0.000 0.790 313 P CB 0.192 31.888 31.700 -0.007 0.000 0.780 314 A N -0.933 121.872 122.820 -0.026 0.000 2.178 314 A HA -0.101 4.235 4.320 0.027 0.000 0.218 314 A C 1.866 179.430 177.584 -0.033 0.000 1.157 314 A CA 1.089 53.109 52.037 -0.028 0.000 0.689 314 A CB -1.368 17.611 19.000 -0.035 0.000 0.787 314 A HN 0.200 nan 8.150 nan 0.000 0.465 315 L N -1.199 120.001 121.223 -0.038 0.000 2.477 315 L HA 0.062 4.418 4.340 0.027 0.000 0.220 315 L C 0.744 177.593 176.870 -0.034 0.000 1.106 315 L CA 0.339 55.147 54.840 -0.052 0.000 0.851 315 L CB -0.011 42.004 42.059 -0.073 0.000 0.994 315 L HN 0.113 nan 8.230 nan 0.000 0.462 316 D N 0.093 120.493 120.400 0.001 0.000 2.325 316 D HA -0.006 4.650 4.640 0.027 0.000 0.225 316 D C 0.743 177.075 176.300 0.053 0.000 1.096 316 D CA 0.146 54.183 54.000 0.062 0.000 0.844 316 D CB 0.214 41.113 40.800 0.165 0.000 0.925 316 D HN 0.330 nan 8.370 nan 0.000 0.513 317 E N 0.695 120.899 120.200 0.006 0.000 2.422 317 E HA 0.106 4.472 4.350 0.027 0.000 0.260 317 E C -0.722 175.866 176.600 -0.020 0.000 1.108 317 E CA 0.172 56.564 56.400 -0.013 0.000 0.943 317 E CB 0.990 30.672 29.700 -0.031 0.000 0.961 317 E HN -0.222 nan 8.360 nan 0.000 0.443 318 V N 3.764 123.658 119.914 -0.033 0.000 2.735 318 V HA 0.293 4.429 4.120 0.027 0.000 0.310 318 V C 0.059 176.111 176.094 -0.069 0.000 1.061 318 V CA -0.742 61.534 62.300 -0.041 0.000 0.913 318 V CB 1.803 33.607 31.823 -0.032 0.000 1.005 318 V HN 0.683 nan 8.190 nan 0.000 0.428 319 R N 2.686 123.119 120.500 -0.112 0.000 2.421 319 R HA 0.406 4.763 4.340 0.027 0.000 0.305 319 R C 0.337 176.574 176.300 -0.104 0.000 1.039 319 R CA -0.022 55.975 56.100 -0.171 0.000 1.003 319 R CB 0.332 30.402 30.300 -0.383 0.000 0.959 319 R HN 0.842 nan 8.270 nan 0.000 0.427 320 K N 3.883 124.234 120.400 -0.083 0.000 2.484 320 K HA -0.006 4.330 4.320 0.027 0.000 0.280 320 K C -0.266 176.312 176.600 -0.037 0.000 1.013 320 K CA 0.359 56.616 56.287 -0.049 0.000 1.029 320 K CB 0.014 32.489 32.500 -0.042 0.000 0.902 320 K HN 0.709 nan 8.250 nan 0.000 0.481 321 E N 1.944 122.139 120.200 -0.008 0.000 2.259 321 E HA 0.200 4.566 4.350 0.027 0.000 0.281 321 E C -0.839 175.769 176.600 0.013 0.000 1.027 321 E CA -0.670 55.742 56.400 0.019 0.000 0.838 321 E CB 0.987 30.708 29.700 0.035 0.000 1.066 321 E HN 0.596 nan 8.360 nan 0.000 0.401 322 E N 1.813 122.026 120.200 0.022 0.000 2.130 322 E HA 0.465 4.831 4.350 0.027 0.000 0.284 322 E C -0.514 176.101 176.600 0.025 0.000 1.018 322 E CA 0.373 56.784 56.400 0.019 0.000 0.817 322 E CB 0.426 30.137 29.700 0.018 0.000 1.078 322 E HN 0.587 nan 8.360 nan 0.000 0.396 355 W N 1.592 122.894 121.300 0.004 0.000 2.302 355 W HA -0.109 4.567 4.660 0.026 0.000 0.320 355 W C 1.347 177.869 176.519 0.005 0.000 1.241 355 W CA 3.036 60.383 57.345 0.004 0.000 1.264 355 W CB -0.174 29.282 29.460 -0.007 0.000 1.154 355 W HN 0.964 nan 8.180 nan 0.000 0.483 356 D N -0.222 120.356 120.400 0.298 0.000 2.801 356 D HA 0.035 4.691 4.640 0.027 0.000 0.232 356 D C -0.625 175.739 176.300 0.107 0.000 1.128 356 D CA -0.071 54.023 54.000 0.157 0.000 1.003 356 D CB -0.897 39.952 40.800 0.082 0.000 1.110 356 D HN -0.193 nan 8.370 nan 0.000 0.477 357 C N 1.690 121.060 119.300 0.116 0.000 2.271 357 C HA 0.252 4.729 4.460 0.027 0.000 0.323 357 C C 0.931 175.965 174.990 0.074 0.000 1.245 357 C CA -0.666 58.400 59.018 0.079 0.000 1.548 357 C CB -0.055 27.731 27.740 0.076 0.000 2.214 357 C HN 0.422 nan 8.230 nan 0.000 0.477 358 D N 1.911 122.340 120.400 0.048 0.000 2.347 358 D HA 0.091 4.747 4.640 0.027 0.000 0.215 358 D C 1.513 177.835 176.300 0.037 0.000 0.976 358 D CA 0.607 54.631 54.000 0.040 0.000 0.884 358 D CB 0.122 40.934 40.800 0.020 0.000 0.915 358 D HN 0.762 nan 8.370 nan 0.000 0.526 359 R N 1.590 122.108 120.500 0.030 0.000 2.504 359 R HA -0.006 4.350 4.340 0.027 0.000 0.291 359 R C 0.494 176.824 176.300 0.050 0.000 0.974 359 R CA 0.065 56.173 56.100 0.014 0.000 1.077 359 R CB -0.970 29.321 30.300 -0.015 0.000 0.926 359 R HN 0.176 nan 8.270 nan 0.000 0.407 360 K N 1.313 121.740 120.400 0.044 0.000 2.561 360 K HA -0.002 4.334 4.320 0.027 0.000 0.280 360 K C 0.019 176.693 176.600 0.123 0.000 0.975 360 K CA 0.549 56.894 56.287 0.096 0.000 1.024 360 K CB 0.126 32.667 32.500 0.068 0.000 0.883 360 K HN 0.633 nan 8.250 nan 0.000 0.496 361 F N 4.335 124.341 119.950 0.093 0.000 2.438 361 F HA 0.170 4.713 4.527 0.027 0.000 0.356 361 F C 0.251 176.171 175.800 0.200 0.000 1.099 361 F CA -0.382 57.696 58.000 0.130 0.000 1.185 361 F CB 0.542 39.632 39.000 0.149 0.000 1.115 361 F HN 0.454 nan 8.300 nan 0.000 0.526 362 R N 5.278 125.375 120.500 -0.673 0.000 2.854 362 R HA 0.848 5.204 4.340 0.027 0.000 0.271 362 R C -2.215 173.791 176.300 -0.489 0.000 0.994 362 R CA -1.146 54.654 56.100 -0.500 0.000 0.945 362 R CB 1.896 31.972 30.300 -0.374 0.000 1.194 362 R HN 0.574 nan 8.270 nan 0.000 0.476 363 V N 0.473 120.385 119.914 -0.003 0.000 2.686 363 V HA 0.705 4.841 4.120 0.027 0.000 0.306 363 V C -1.042 175.159 176.094 0.179 0.000 1.065 363 V CA -0.333 62.071 62.300 0.174 0.000 0.894 363 V CB 1.588 33.549 31.823 0.230 0.000 1.004 363 V HN 1.038 nan 8.190 nan 0.000 0.424 364 K N 5.816 126.130 120.400 -0.143 0.000 2.234 364 K HA 0.723 5.059 4.320 0.027 0.000 0.277 364 K C -0.784 175.651 176.600 -0.275 0.000 1.038 364 K CA -0.387 55.559 56.287 -0.568 0.000 0.888 364 K CB 1.157 32.757 32.500 -1.499 0.000 1.091 364 K HN 0.686 nan 8.250 nan 0.000 0.467 365 I N 4.005 124.466 120.570 -0.182 0.000 2.329 365 I HA 0.182 4.368 4.170 0.027 0.000 0.295 365 I C 1.545 177.638 176.117 -0.041 0.000 1.109 365 I CA -0.310 60.932 61.300 -0.098 0.000 1.297 365 I CB 0.825 38.740 38.000 -0.141 0.000 1.433 365 I HN 0.757 nan 8.210 nan 0.000 0.509 366 R N 3.713 124.192 120.500 -0.036 0.000 2.078 366 R HA 0.302 4.658 4.340 0.027 0.000 0.224 366 R C 0.862 177.237 176.300 0.126 0.000 1.149 366 R CA 0.805 56.905 56.100 0.001 0.000 0.916 366 R CB -0.310 29.968 30.300 -0.038 0.000 0.821 366 R HN 0.722 nan 8.270 nan 0.000 0.434 367 G N -0.032 108.845 108.800 0.129 0.000 2.559 367 G HA2 0.433 4.409 3.960 0.027 0.000 0.291 367 G HA3 0.433 4.409 3.960 0.027 0.000 0.291 367 G C -1.642 173.356 174.900 0.163 0.000 1.424 367 G CA -0.837 44.393 45.100 0.217 0.000 0.786 367 G HN 0.246 nan 8.290 nan 0.000 0.485 368 I N -1.556 119.131 120.570 0.195 0.000 2.460 368 I HA 0.787 4.973 4.170 0.027 0.000 0.298 368 I C -1.365 174.767 176.117 0.026 0.000 0.989 368 I CA -1.010 60.353 61.300 0.105 0.000 1.173 368 I CB 2.222 40.323 38.000 0.170 0.000 1.338 368 I HN 0.229 nan 8.210 nan 0.000 0.456 369 D N 7.583 127.970 120.400 -0.022 0.000 2.788 369 D HA 0.516 5.172 4.640 0.027 0.000 0.247 369 D C -0.925 175.347 176.300 -0.046 0.000 1.236 369 D CA -0.023 53.955 54.000 -0.036 0.000 0.898 369 D CB 2.652 43.429 40.800 -0.037 0.000 1.401 369 D HN 0.815 nan 8.370 nan 0.000 0.549 370 I N 0.858 121.396 120.570 -0.053 0.000 2.656 370 I HA 0.393 4.579 4.170 0.027 0.000 0.292 370 I C -2.641 173.443 176.117 -0.055 0.000 1.144 370 I CA -2.143 59.127 61.300 -0.049 0.000 1.038 370 I CB 2.661 40.618 38.000 -0.072 0.000 1.244 370 I HN -0.011 nan 8.210 nan 0.000 0.420 371 P HA -0.027 nan 4.420 nan 0.000 0.295 371 P C -0.546 176.722 177.300 -0.053 0.000 1.300 371 P CA -0.261 62.818 63.100 -0.035 0.000 0.801 371 P CB 0.188 31.879 31.700 -0.015 0.000 1.420 372 V N -0.487 119.402 119.914 -0.042 0.000 2.915 372 V HA -0.102 4.034 4.120 0.027 0.000 0.289 372 V C 1.052 177.106 176.094 -0.068 0.000 1.067 372 V CA 1.093 63.364 62.300 -0.050 0.000 1.238 372 V CB -1.601 30.209 31.823 -0.023 0.000 0.809 372 V HN 0.386 nan 8.190 nan 0.000 0.449 379 L N -1.079 120.265 121.223 0.202 0.000 3.186 379 L HA 0.568 4.924 4.340 0.027 0.000 0.297 379 L C -1.003 175.966 176.870 0.164 0.000 0.904 379 L CA -0.392 54.566 54.840 0.197 0.000 1.061 379 L CB 1.728 43.949 42.059 0.271 0.000 1.643 379 L HN 0.369 nan 8.230 nan 0.000 0.370 380 T N -0.976 113.638 114.554 0.100 0.000 2.893 380 T HA 0.859 5.225 4.350 0.027 0.000 0.293 380 T C -1.132 173.601 174.700 0.055 0.000 1.027 380 T CA -0.810 61.340 62.100 0.084 0.000 0.988 380 T CB 2.117 71.030 68.868 0.075 0.000 1.043 380 T HN 0.371 nan 8.240 nan 0.000 0.461 381 V N 3.788 123.772 119.914 0.117 0.000 2.737 381 V HA 0.597 4.733 4.120 0.027 0.000 0.298 381 V C -1.196 175.173 176.094 0.459 0.000 1.163 381 V CA -0.995 61.389 62.300 0.140 0.000 0.925 381 V CB 1.453 33.102 31.823 -0.289 0.000 1.037 381 V HN 1.009 nan 8.190 nan 0.000 0.433 382 F N 4.351 124.385 119.950 0.141 0.000 2.631 382 F HA 0.982 5.525 4.527 0.026 0.000 0.350 382 F C -0.697 175.086 175.800 -0.029 0.000 1.080 382 F CA -2.075 55.976 58.000 0.085 0.000 1.026 382 F CB 1.301 40.311 39.000 0.017 0.000 1.347 382 F HN 0.179 nan 8.300 nan 0.000 0.501 383 V N 0.555 120.256 119.914 -0.355 0.000 2.604 383 V HA 0.432 4.568 4.120 0.027 0.000 0.305 383 V C -1.050 174.865 176.094 -0.297 0.000 1.043 383 V CA -0.679 61.387 62.300 -0.390 0.000 0.888 383 V CB 1.572 33.108 31.823 -0.479 0.000 0.995 383 V HN 0.876 nan 8.190 nan 0.000 0.429 384 E N 3.635 123.727 120.200 -0.179 0.000 2.165 384 E HA 0.719 5.085 4.350 0.027 0.000 0.266 384 E C -0.706 175.927 176.600 0.055 0.000 0.889 384 E CA -0.676 55.704 56.400 -0.032 0.000 0.756 384 E CB 1.647 31.392 29.700 0.074 0.000 1.131 384 E HN 0.811 nan 8.360 nan 0.000 0.411 385 A N 5.402 128.299 122.820 0.128 0.000 2.322 385 A HA 0.386 4.722 4.320 0.027 0.000 0.327 385 A C -0.765 176.990 177.584 0.286 0.000 1.394 385 A CA -0.835 51.345 52.037 0.239 0.000 0.921 385 A CB 0.340 19.565 19.000 0.375 0.000 1.153 385 A HN 0.669 nan 8.150 nan 0.000 0.523 386 N N 1.695 120.468 118.700 0.121 0.000 2.473 386 N HA 0.431 5.187 4.740 0.027 0.000 0.291 386 N C -0.801 174.633 175.510 -0.127 0.000 1.083 386 N CA -0.152 52.908 53.050 0.016 0.000 0.951 386 N CB 1.717 40.214 38.487 0.016 0.000 1.164 386 N HN 0.554 nan 8.380 nan 0.000 0.480 387 I N 2.302 122.715 120.570 -0.261 0.000 2.347 387 I HA 0.162 4.349 4.170 0.027 0.000 0.283 387 I C 0.406 176.405 176.117 -0.197 0.000 1.058 387 I CA -0.333 60.768 61.300 -0.333 0.000 1.202 387 I CB 0.652 38.326 38.000 -0.543 0.000 1.386 387 I HN 0.203 nan 8.210 nan 0.000 0.475 388 Q N 4.633 124.347 119.800 -0.142 0.000 2.205 388 Q HA 0.413 4.769 4.340 0.027 0.000 0.249 388 Q C -0.561 175.407 176.000 -0.054 0.000 0.948 388 Q CA -0.544 55.202 55.803 -0.095 0.000 0.895 388 Q CB 2.386 31.067 28.738 -0.096 0.000 1.249 388 Q HN 0.503 nan 8.270 nan 0.000 0.458 389 H N -0.457 118.503 119.070 -0.183 0.000 3.275 389 H HA 0.175 4.747 4.556 0.026 0.000 0.326 389 H C -0.270 174.897 175.328 -0.269 0.000 1.096 389 H CA 0.522 56.428 56.048 -0.238 0.000 1.579 389 H CB 0.890 30.511 29.762 -0.236 0.000 1.834 389 H HN 0.966 nan 8.280 nan 0.000 0.510 390 G N 4.412 112.926 108.800 -0.476 0.000 2.371 390 G HA2 -0.333 3.643 3.960 0.027 0.000 0.299 390 G HA3 -0.333 3.643 3.960 0.027 0.000 0.299 390 G C 0.562 175.294 174.900 -0.280 0.000 1.014 390 G CA 1.274 46.127 45.100 -0.412 0.000 1.097 390 G HN 0.900 nan 8.290 nan 0.000 0.512 391 Q N -2.946 116.731 119.800 -0.205 0.000 2.411 391 Q HA -0.288 4.068 4.340 0.027 0.000 0.149 391 Q C 1.215 177.148 176.000 -0.113 0.000 0.722 391 Q CA 2.257 57.967 55.803 -0.155 0.000 1.279 391 Q CB -0.912 27.720 28.738 -0.176 0.000 1.189 391 Q HN 1.228 nan 8.270 nan 0.000 1.014 392 Q N 1.218 120.959 119.800 -0.099 0.000 2.288 392 Q HA 0.455 4.811 4.340 0.027 0.000 0.254 392 Q C 0.100 176.075 176.000 -0.041 0.000 0.932 392 Q CA -0.031 55.740 55.803 -0.054 0.000 0.902 392 Q CB 1.336 30.059 28.738 -0.024 0.000 1.203 392 Q HN 0.178 nan 8.270 nan 0.000 0.415 393 V N 3.386 123.277 119.914 -0.037 0.000 2.408 393 V HA 0.150 4.286 4.120 0.027 0.000 0.267 393 V C 0.834 176.903 176.094 -0.042 0.000 1.047 393 V CA -0.352 61.922 62.300 -0.042 0.000 0.937 393 V CB 0.111 31.918 31.823 -0.026 0.000 0.999 393 V HN 1.000 nan 8.190 nan 0.000 0.472 394 L N 3.293 124.476 121.223 -0.066 0.000 2.023 394 L HA 0.134 4.490 4.340 0.027 0.000 0.205 394 L C 1.231 178.066 176.870 -0.060 0.000 1.073 394 L CA 1.299 56.097 54.840 -0.069 0.000 0.745 394 L CB -0.194 41.801 42.059 -0.107 0.000 0.900 394 L HN 0.735 nan 8.230 nan 0.000 0.435 395 C N -1.260 117.984 119.300 -0.093 0.000 3.090 395 C HA 0.541 5.017 4.460 0.027 0.000 0.305 395 C C -1.019 173.978 174.990 0.011 0.000 1.292 395 C CA -0.571 58.436 59.018 -0.019 0.000 1.482 395 C CB 2.005 29.756 27.740 0.019 0.000 1.897 395 C HN 0.446 nan 8.230 nan 0.000 0.469 396 Q N 3.324 123.225 119.800 0.168 0.000 2.268 396 Q HA 0.584 4.940 4.340 0.027 0.000 0.266 396 Q C -1.622 174.554 176.000 0.293 0.000 1.006 396 Q CA -0.521 55.420 55.803 0.229 0.000 0.824 396 Q CB 1.350 30.159 28.738 0.118 0.000 1.306 396 Q HN 0.746 nan 8.270 nan 0.000 0.424 397 R N 1.525 122.237 120.500 0.354 0.000 2.514 397 R HA 0.566 4.922 4.340 0.027 0.000 0.296 397 R C -0.095 176.258 176.300 0.090 0.000 1.012 397 R CA -0.160 56.019 56.100 0.131 0.000 0.897 397 R CB 1.618 31.855 30.300 -0.106 0.000 1.184 397 R HN 0.849 nan 8.270 nan 0.000 0.440 398 R N 0.659 121.210 120.500 0.086 0.000 2.523 398 R HA 0.652 5.008 4.340 0.027 0.000 0.223 398 R C 0.648 176.978 176.300 0.050 0.000 1.280 398 R CA 0.288 56.466 56.100 0.129 0.000 1.047 398 R CB -0.159 30.326 30.300 0.308 0.000 1.650 398 R HN 0.791 nan 8.270 nan 0.000 0.545 399 T N -3.085 111.539 114.554 0.115 0.000 2.831 399 T HA 0.539 4.905 4.350 0.027 0.000 0.287 399 T C -0.145 174.575 174.700 0.034 0.000 1.070 399 T CA 0.017 62.078 62.100 -0.065 0.000 1.010 399 T CB 1.093 69.666 68.868 -0.493 0.000 1.264 399 T HN 0.958 nan 8.240 nan 0.000 0.532 400 S N 1.752 117.495 115.700 0.071 0.000 2.531 400 S HA 0.468 4.954 4.470 0.027 0.000 0.279 400 S C -2.557 172.251 174.600 0.347 0.000 1.305 400 S CA -0.946 57.361 58.200 0.179 0.000 1.058 400 S CB -0.257 63.079 63.200 0.228 0.000 0.899 400 S HN 0.653 nan 8.310 nan 0.000 0.493 401 P HA 0.407 nan 4.420 nan 0.000 0.272 401 P C -0.300 177.153 177.300 0.255 0.000 1.240 401 P CA -0.503 62.727 63.100 0.217 0.000 0.791 401 P CB 0.494 32.194 31.700 0.000 0.000 0.978 402 K N 0.171 120.711 120.400 0.234 0.000 2.571 402 K HA 0.438 4.774 4.320 0.027 0.000 0.289 402 K C -2.902 173.741 176.600 0.073 0.000 1.028 402 K CA -1.910 54.427 56.287 0.083 0.000 0.895 402 K CB 1.282 33.720 32.500 -0.104 0.000 1.534 402 K HN 0.156 nan 8.250 nan 0.000 0.421 403 P HA 0.090 nan 4.420 nan 0.000 0.275 403 P C -0.882 176.515 177.300 0.162 0.000 1.227 403 P CA -0.250 62.896 63.100 0.077 0.000 0.781 403 P CB 0.245 31.961 31.700 0.027 0.000 0.906 404 F N 4.064 124.018 119.950 0.007 0.000 2.515 404 F HA 0.190 4.734 4.527 0.027 0.000 0.353 404 F C 0.489 176.280 175.800 -0.015 0.000 1.213 404 F CA -0.442 57.563 58.000 0.009 0.000 1.194 404 F CB -1.049 37.978 39.000 0.046 0.000 1.488 404 F HN 0.174 nan 8.300 nan 0.000 0.619 405 T N -0.236 114.336 114.554 0.030 0.000 2.937 405 T HA 0.459 4.825 4.350 0.027 0.000 0.283 405 T C 1.255 175.840 174.700 -0.192 0.000 1.012 405 T CA -0.017 62.013 62.100 -0.117 0.000 0.997 405 T CB 1.057 69.881 68.868 -0.074 0.000 1.136 405 T HN 0.366 nan 8.240 nan 0.000 0.551 406 E N -0.690 119.405 120.200 -0.176 0.000 2.331 406 E HA -0.032 4.335 4.350 0.027 0.000 0.199 406 E C 0.761 177.301 176.600 -0.100 0.000 1.008 406 E CA 1.465 57.772 56.400 -0.156 0.000 0.843 406 E CB -0.354 29.277 29.700 -0.115 0.000 0.761 406 E HN 0.802 nan 8.360 nan 0.000 0.507 407 E N -1.033 119.117 120.200 -0.084 0.000 2.321 407 E HA 0.508 4.874 4.350 0.027 0.000 0.278 407 E C -1.948 174.592 176.600 -0.099 0.000 0.902 407 E CA -0.616 55.741 56.400 -0.070 0.000 0.758 407 E CB 2.390 32.049 29.700 -0.067 0.000 1.213 407 E HN 0.055 nan 8.360 nan 0.000 0.426 408 V N 5.101 124.939 119.914 -0.126 0.000 2.532 408 V HA 0.345 4.481 4.120 0.027 0.000 0.294 408 V C -0.523 175.345 176.094 -0.376 0.000 1.036 408 V CA -0.614 61.501 62.300 -0.309 0.000 0.876 408 V CB 1.250 32.839 31.823 -0.390 0.000 1.012 408 V HN 0.632 nan 8.190 nan 0.000 0.432 409 L N 3.196 124.193 121.223 -0.377 0.000 2.376 409 L HA 0.636 4.992 4.340 0.027 0.000 0.267 409 L C 0.540 177.192 176.870 -0.362 0.000 1.035 409 L CA 0.152 54.855 54.840 -0.229 0.000 0.800 409 L CB 1.580 43.573 42.059 -0.109 0.000 1.290 409 L HN 0.648 nan 8.230 nan 0.000 0.462 410 W N -1.275 120.003 121.300 -0.036 0.000 4.740 410 W HA 0.024 4.700 4.660 0.028 0.000 0.160 410 W C 0.891 177.371 176.519 -0.065 0.000 1.012 410 W CA 0.165 57.489 57.345 -0.035 0.000 1.686 410 W CB -0.049 29.396 29.460 -0.026 0.000 0.528 410 W HN 0.646 nan 8.180 nan 0.000 1.041 411 N N 1.266 120.048 118.700 0.137 0.000 2.717 411 N HA -0.198 4.558 4.740 0.027 0.000 0.248 411 N C -0.026 175.418 175.510 -0.109 0.000 1.099 411 N CA 1.331 54.363 53.050 -0.031 0.000 0.843 411 N CB -1.531 36.925 38.487 -0.051 0.000 1.155 411 N HN 0.039 nan 8.380 nan 0.000 0.580 412 V N -1.986 117.918 119.914 -0.018 0.000 2.788 412 V HA 0.108 4.244 4.120 0.027 0.000 0.307 412 V C 0.874 176.873 176.094 -0.157 0.000 1.069 412 V CA -0.472 61.803 62.300 -0.041 0.000 1.173 412 V CB 0.315 32.133 31.823 -0.009 0.000 0.925 412 V HN 0.230 nan 8.190 nan 0.000 0.492 413 W N 4.126 125.400 121.300 -0.044 0.000 2.311 413 W HA 0.585 5.261 4.660 0.027 0.000 0.310 413 W C 0.034 176.472 176.519 -0.135 0.000 1.274 413 W CA -0.675 56.617 57.345 -0.089 0.000 1.215 413 W CB 1.045 30.457 29.460 -0.080 0.000 1.227 413 W HN 0.573 nan 8.180 nan 0.000 0.523 414 L N 3.894 125.215 121.223 0.164 0.000 2.296 414 L HA 0.375 4.731 4.340 0.027 0.000 0.286 414 L C -0.112 176.595 176.870 -0.271 0.000 1.023 414 L CA -0.639 54.124 54.840 -0.129 0.000 0.812 414 L CB 1.532 43.434 42.059 -0.261 0.000 1.223 414 L HN 0.387 nan 8.230 nan 0.000 0.421 415 E N 2.873 122.894 120.200 -0.298 0.000 2.187 415 E HA 0.474 4.840 4.350 0.027 0.000 0.268 415 E C -1.424 175.023 176.600 -0.254 0.000 0.896 415 E CA -0.576 55.681 56.400 -0.239 0.000 0.766 415 E CB 1.865 31.500 29.700 -0.110 0.000 1.142 415 E HN 0.273 nan 8.360 nan 0.000 0.408 416 F N 0.551 120.567 119.950 0.111 0.000 2.450 416 F HA 0.118 4.662 4.527 0.027 0.000 0.328 416 F C 1.816 177.665 175.800 0.082 0.000 1.068 416 F CA -0.532 57.540 58.000 0.120 0.000 1.007 416 F CB 1.535 40.656 39.000 0.202 0.000 1.251 416 F HN 0.488 nan 8.300 nan 0.000 0.492 417 S N 1.168 117.035 115.700 0.277 0.000 2.555 417 S HA -0.029 4.457 4.470 0.027 0.000 0.230 417 S C 0.388 175.066 174.600 0.130 0.000 0.978 417 S CA 0.135 58.424 58.200 0.150 0.000 0.934 417 S CB -0.614 62.648 63.200 0.103 0.000 0.766 417 S HN 0.494 nan 8.310 nan 0.000 0.533 418 I N 1.496 122.170 120.570 0.174 0.000 2.328 418 I HA 0.596 4.782 4.170 0.027 0.000 0.287 418 I C 0.280 176.472 176.117 0.125 0.000 1.012 418 I CA -0.718 60.640 61.300 0.098 0.000 1.195 418 I CB 0.887 38.891 38.000 0.007 0.000 1.350 418 I HN 0.233 nan 8.210 nan 0.000 0.464 419 K N 5.769 126.222 120.400 0.088 0.000 2.552 419 K HA 0.014 4.351 4.320 0.027 0.000 0.276 419 K C 0.313 176.978 176.600 0.108 0.000 0.960 419 K CA 0.864 57.208 56.287 0.094 0.000 0.961 419 K CB -0.028 32.510 32.500 0.063 0.000 0.902 419 K HN 0.805 nan 8.250 nan 0.000 0.515 420 I N 1.132 121.780 120.570 0.130 0.000 3.684 420 I HA 0.001 4.187 4.170 0.027 0.000 0.304 420 I C 2.683 178.874 176.117 0.122 0.000 1.278 420 I CA 1.009 62.393 61.300 0.139 0.000 1.272 420 I CB -0.116 37.985 38.000 0.169 0.000 1.029 420 I HN 0.830 nan 8.210 nan 0.000 0.458 421 K N -0.590 119.894 120.400 0.140 0.000 2.323 421 K HA 0.021 4.357 4.320 0.027 0.000 0.197 421 K C 1.385 178.126 176.600 0.235 0.000 1.043 421 K CA 0.822 57.254 56.287 0.243 0.000 0.997 421 K CB -0.169 32.457 32.500 0.210 0.000 0.807 421 K HN 0.183 nan 8.250 nan 0.000 0.497 422 D N -0.026 120.442 120.400 0.113 0.000 2.366 422 D HA 0.135 4.791 4.640 0.027 0.000 0.205 422 D C 0.269 176.576 176.300 0.011 0.000 1.022 422 D CA -0.165 53.875 54.000 0.067 0.000 0.868 422 D CB 0.048 40.857 40.800 0.016 0.000 0.953 422 D HN 0.327 nan 8.370 nan 0.000 0.514 423 L N 2.746 123.955 121.223 -0.023 0.000 2.667 423 L HA -0.004 4.352 4.340 0.027 0.000 0.278 423 L C -2.069 174.769 176.870 -0.054 0.000 1.217 423 L CA -0.616 54.170 54.840 -0.091 0.000 0.935 423 L CB -0.237 41.744 42.059 -0.130 0.000 1.193 423 L HN -0.227 nan 8.230 nan 0.000 0.493 424 P HA 0.166 nan 4.420 nan 0.000 0.286 424 P C -0.898 176.417 177.300 0.025 0.000 1.261 424 P CA -0.867 62.216 63.100 -0.028 0.000 0.821 424 P CB 0.828 32.415 31.700 -0.189 0.000 1.013 425 K N 1.712 122.158 120.400 0.078 0.000 2.436 425 K HA 0.269 4.605 4.320 0.027 0.000 0.282 425 K C 0.857 177.545 176.600 0.148 0.000 1.044 425 K CA 1.010 57.360 56.287 0.105 0.000 1.028 425 K CB -0.894 31.681 32.500 0.125 0.000 0.919 425 K HN 0.784 nan 8.250 nan 0.000 0.474 426 G N 2.203 111.072 108.800 0.115 0.000 2.255 426 G HA2 -0.211 3.765 3.960 0.027 0.000 0.196 426 G HA3 -0.211 3.765 3.960 0.027 0.000 0.196 426 G C 0.085 174.918 174.900 -0.112 0.000 0.998 426 G CA -0.183 44.870 45.100 -0.078 0.000 0.656 426 G HN 0.920 nan 8.290 nan 0.000 0.490 427 A N 0.663 123.482 122.820 -0.001 0.000 2.565 427 A HA 0.533 4.869 4.320 0.027 0.000 0.237 427 A C 0.419 177.926 177.584 -0.129 0.000 1.053 427 A CA 0.654 52.664 52.037 -0.046 0.000 0.755 427 A CB 0.164 19.099 19.000 -0.108 0.000 0.980 427 A HN 0.924 nan 8.150 nan 0.000 0.506 428 L N 2.473 123.610 121.223 -0.144 0.000 2.322 428 L HA 0.356 4.712 4.340 0.027 0.000 0.281 428 L C -0.469 176.311 176.870 -0.150 0.000 1.014 428 L CA -0.933 53.823 54.840 -0.140 0.000 0.815 428 L CB 1.657 43.643 42.059 -0.122 0.000 1.247 428 L HN 0.727 nan 8.230 nan 0.000 0.421 429 L N 5.379 126.525 121.223 -0.127 0.000 2.278 429 L HA 0.281 4.637 4.340 0.027 0.000 0.287 429 L C -0.031 176.824 176.870 -0.025 0.000 1.072 429 L CA 0.388 55.176 54.840 -0.085 0.000 0.819 429 L CB 0.413 42.459 42.059 -0.023 0.000 1.176 429 L HN 0.571 nan 8.230 nan 0.000 0.435 430 N N 6.716 125.410 118.700 -0.009 0.000 2.518 430 N HA 0.272 5.028 4.740 0.027 0.000 0.254 430 N C -1.521 174.026 175.510 0.061 0.000 0.979 430 N CA -0.530 52.538 53.050 0.030 0.000 0.930 430 N CB 0.805 39.298 38.487 0.009 0.000 1.152 430 N HN 0.642 nan 8.380 nan 0.000 0.505 431 L N 2.465 123.733 121.223 0.076 0.000 2.276 431 L HA 0.416 4.772 4.340 0.027 0.000 0.286 431 L C 0.347 177.258 176.870 0.069 0.000 1.061 431 L CA -0.493 54.385 54.840 0.064 0.000 0.807 431 L CB 1.311 43.398 42.059 0.046 0.000 1.177 431 L HN 0.398 nan 8.230 nan 0.000 0.429 432 Q N 3.499 123.311 119.800 0.021 0.000 2.458 432 Q HA 0.706 5.062 4.340 0.027 0.000 0.282 432 Q C -1.187 174.722 176.000 -0.152 0.000 1.106 432 Q CA -0.867 54.908 55.803 -0.046 0.000 0.814 432 Q CB 3.489 32.163 28.738 -0.106 0.000 1.425 432 Q HN 0.525 nan 8.270 nan 0.000 0.437 433 I N 1.686 122.111 120.570 -0.242 0.000 2.500 433 I HA 0.333 4.519 4.170 0.027 0.000 0.286 433 I C -1.488 174.462 176.117 -0.279 0.000 1.063 433 I CA -0.478 60.698 61.300 -0.206 0.000 1.062 433 I CB 1.175 39.128 38.000 -0.077 0.000 1.223 433 I HN 0.548 nan 8.210 nan 0.000 0.435 434 Y N 4.253 124.401 120.300 -0.252 0.000 2.534 434 Y HA 0.585 5.151 4.550 0.027 0.000 0.329 434 Y C 0.166 176.050 175.900 -0.027 0.000 1.154 434 Y CA -0.413 57.609 58.100 -0.131 0.000 1.192 434 Y CB 1.795 40.131 38.460 -0.207 0.000 1.275 434 Y HN 0.427 nan 8.280 nan 0.000 0.491 435 C N 0.883 120.317 119.300 0.224 0.000 2.563 435 C HA 0.927 5.403 4.460 0.027 0.000 0.314 435 C C 0.260 175.344 174.990 0.156 0.000 1.199 435 C CA -0.152 58.931 59.018 0.108 0.000 1.564 435 C CB 0.449 28.230 27.740 0.069 0.000 2.173 435 C HN 0.992 nan 8.230 nan 0.000 0.485 459 R N 1.869 122.518 120.500 0.249 0.000 2.664 459 R HA 0.869 5.225 4.340 0.027 0.000 0.266 459 R C -1.913 174.521 176.300 0.223 0.000 1.046 459 R CA -0.623 55.612 56.100 0.224 0.000 0.885 459 R CB 1.228 31.608 30.300 0.134 0.000 1.254 459 R HN 1.252 nan 8.270 nan 0.000 0.465 460 L N 1.824 123.103 121.223 0.093 0.000 2.319 460 L HA 0.749 5.105 4.340 0.027 0.000 0.280 460 L C 1.017 177.833 176.870 -0.089 0.000 1.099 460 L CA 0.754 55.473 54.840 -0.202 0.000 0.828 460 L CB 1.053 43.007 42.059 -0.175 0.000 1.150 460 L HN 1.248 nan 8.230 nan 0.000 0.442 461 L N 4.705 125.880 121.223 -0.079 0.000 2.854 461 L HA 0.472 4.828 4.340 0.027 0.000 0.249 461 L C -0.060 176.650 176.870 -0.266 0.000 1.091 461 L CA 0.098 54.917 54.840 -0.036 0.000 0.935 461 L CB -0.834 41.366 42.059 0.234 0.000 1.367 461 L HN 0.624 nan 8.230 nan 0.000 0.524 462 Y N -1.053 119.230 120.300 -0.029 0.000 2.544 462 Y HA 0.657 5.223 4.550 0.027 0.000 0.342 462 Y C -0.651 175.297 175.900 0.080 0.000 1.062 462 Y CA -1.564 56.540 58.100 0.005 0.000 1.023 462 Y CB 1.970 40.414 38.460 -0.027 0.000 1.308 462 Y HN 0.319 nan 8.280 nan 0.000 0.457 463 Y N -0.393 120.004 120.300 0.163 0.000 2.571 463 Y HA 0.891 5.457 4.550 0.028 0.000 0.341 463 Y C -1.869 174.154 175.900 0.205 0.000 1.076 463 Y CA -1.383 56.792 58.100 0.125 0.000 1.029 463 Y CB 1.569 40.077 38.460 0.081 0.000 1.308 463 Y HN 0.602 nan 8.280 nan 0.000 0.461 464 V N 1.682 121.763 119.914 0.278 0.000 3.253 464 V HA 0.638 4.774 4.120 0.027 0.000 0.300 464 V C -1.983 174.235 176.094 0.206 0.000 1.398 464 V CA -0.830 61.611 62.300 0.236 0.000 1.067 464 V CB 2.692 34.566 31.823 0.085 0.000 1.102 464 V HN 1.019 nan 8.190 nan 0.000 0.455 465 N N 1.591 120.393 118.700 0.171 0.000 2.405 465 N HA 0.682 5.438 4.740 0.027 0.000 0.274 465 N C -2.122 173.426 175.510 0.064 0.000 1.170 465 N CA -0.308 52.805 53.050 0.104 0.000 0.848 465 N CB 2.441 40.992 38.487 0.108 0.000 1.629 465 N HN 0.660 nan 8.380 nan 0.000 0.481 466 L N 1.366 122.584 121.223 -0.008 0.000 2.505 466 L HA 0.505 4.861 4.340 0.027 0.000 0.266 466 L C -1.439 175.380 176.870 -0.084 0.000 0.954 466 L CA -0.419 54.382 54.840 -0.065 0.000 0.852 466 L CB 1.490 43.429 42.059 -0.199 0.000 1.282 466 L HN 0.489 nan 8.230 nan 0.000 0.403 467 L N 5.482 126.669 121.223 -0.061 0.000 2.455 467 L HA 0.129 4.485 4.340 0.027 0.000 0.272 467 L C 1.116 177.952 176.870 -0.056 0.000 1.174 467 L CA 0.089 54.893 54.840 -0.060 0.000 0.869 467 L CB 0.683 42.748 42.059 0.010 0.000 1.130 467 L HN 0.800 nan 8.230 nan 0.000 0.474 468 L N 3.435 124.615 121.223 -0.072 0.000 2.102 468 L HA 0.013 4.369 4.340 0.027 0.000 0.202 468 L C 0.407 177.265 176.870 -0.020 0.000 1.076 468 L CA 0.748 55.546 54.840 -0.069 0.000 0.761 468 L CB 0.062 42.018 42.059 -0.172 0.000 0.921 468 L HN 0.462 nan 8.230 nan 0.000 0.444 469 I N 1.055 121.622 120.570 -0.004 0.000 2.342 469 I HA 0.051 4.237 4.170 0.027 0.000 0.291 469 I C 0.259 176.398 176.117 0.037 0.000 1.010 469 I CA -0.711 60.590 61.300 0.000 0.000 1.308 469 I CB 0.511 38.500 38.000 -0.018 0.000 1.400 469 I HN 0.121 nan 8.210 nan 0.000 0.488 470 D N 5.712 126.081 120.400 -0.051 0.000 2.447 470 D HA 0.011 4.667 4.640 0.027 0.000 0.265 470 D C 1.151 177.266 176.300 -0.308 0.000 1.250 470 D CA 0.127 54.088 54.000 -0.064 0.000 1.046 470 D CB 0.248 40.953 40.800 -0.158 0.000 1.095 470 D HN 0.636 nan 8.370 nan 0.000 0.555 471 H N -0.445 118.423 119.070 -0.336 0.000 2.495 471 H HA 0.091 4.663 4.556 0.027 0.000 0.287 471 H C 1.191 176.210 175.328 -0.515 0.000 1.033 471 H CA 0.572 56.295 56.048 -0.541 0.000 1.307 471 H CB -0.343 29.243 29.762 -0.293 0.000 1.401 471 H HN 0.363 nan 8.280 nan 0.000 0.555 472 R N -0.448 119.660 120.500 -0.653 0.000 2.310 472 R HA 0.106 4.462 4.340 0.027 0.000 0.202 472 R C -0.058 176.263 176.300 0.035 0.000 0.933 472 R CA 0.154 56.053 56.100 -0.336 0.000 1.054 472 R CB -0.141 29.903 30.300 -0.427 0.000 0.985 472 R HN 0.116 nan 8.270 nan 0.000 0.489 473 F N -1.446 118.350 119.950 -0.257 0.000 2.705 473 F HA -0.289 4.254 4.527 0.026 0.000 0.413 473 F C 0.138 175.841 175.800 -0.162 0.000 0.588 473 F CA 0.141 58.027 58.000 -0.190 0.000 1.187 473 F CB -1.514 37.385 39.000 -0.167 0.000 1.737 473 F HN -0.055 nan 8.300 nan 0.000 0.285 474 L N 1.322 122.532 121.223 -0.021 0.000 2.461 474 L HA 0.250 4.606 4.340 0.027 0.000 0.272 474 L C 0.880 177.734 176.870 -0.026 0.000 1.197 474 L CA -0.272 54.551 54.840 -0.030 0.000 0.836 474 L CB 0.383 42.406 42.059 -0.059 0.000 1.105 474 L HN 0.139 nan 8.230 nan 0.000 0.477 475 L N 1.746 122.971 121.223 0.004 0.000 2.475 475 L HA 0.231 4.587 4.340 0.027 0.000 0.250 475 L C 0.411 177.312 176.870 0.052 0.000 1.224 475 L CA -0.339 54.519 54.840 0.030 0.000 0.821 475 L CB 0.539 42.634 42.059 0.061 0.000 1.141 475 L HN 0.485 nan 8.230 nan 0.000 0.494 476 R N 1.494 122.045 120.500 0.085 0.000 2.210 476 R HA 0.442 4.798 4.340 0.027 0.000 0.338 476 R C -0.664 175.735 176.300 0.165 0.000 1.062 476 R CA 0.133 56.298 56.100 0.108 0.000 0.902 476 R CB 0.335 30.671 30.300 0.059 0.000 1.050 476 R HN 0.635 nan 8.270 nan 0.000 0.461 477 R N 1.584 122.185 120.500 0.168 0.000 2.393 477 R HA 0.781 5.137 4.340 0.027 0.000 0.310 477 R C 0.500 176.928 176.300 0.214 0.000 0.968 477 R CA -0.099 56.100 56.100 0.165 0.000 0.867 477 R CB 0.833 31.192 30.300 0.099 0.000 1.124 477 R HN 0.970 nan 8.270 nan 0.000 0.450 478 G N 0.403 109.330 108.800 0.211 0.000 2.297 478 G HA2 0.006 3.982 3.960 0.027 0.000 0.209 478 G HA3 0.006 3.982 3.960 0.027 0.000 0.209 478 G C -1.339 173.606 174.900 0.075 0.000 1.267 478 G CA -0.506 44.652 45.100 0.097 0.000 1.127 478 G HN 0.705 nan 8.290 nan 0.000 0.498 479 E N 0.040 120.136 120.200 -0.172 0.000 2.175 479 E HA 0.641 5.007 4.350 0.027 0.000 0.278 479 E C -1.374 174.968 176.600 -0.431 0.000 0.969 479 E CA -0.158 56.147 56.400 -0.158 0.000 0.796 479 E CB 1.576 31.201 29.700 -0.126 0.000 1.104 479 E HN 0.393 nan 8.360 nan 0.000 0.395 480 Y N 0.157 120.446 120.300 -0.018 0.000 2.492 480 Y HA 0.334 4.900 4.550 0.027 0.000 0.346 480 Y C -0.318 175.570 175.900 -0.019 0.000 0.997 480 Y CA -0.856 57.233 58.100 -0.018 0.000 1.025 480 Y CB 2.024 40.451 38.460 -0.055 0.000 1.263 480 Y HN 0.103 nan 8.280 nan 0.000 0.454 481 V N 5.257 125.240 119.914 0.114 0.000 2.380 481 V HA 0.406 4.542 4.120 0.027 0.000 0.286 481 V C -0.724 175.351 176.094 -0.031 0.000 1.015 481 V CA -0.722 61.581 62.300 0.005 0.000 0.834 481 V CB 1.190 32.985 31.823 -0.046 0.000 1.009 481 V HN 0.554 nan 8.190 nan 0.000 0.428 482 L N 4.817 125.991 121.223 -0.081 0.000 2.287 482 L HA 0.568 4.924 4.340 0.027 0.000 0.287 482 L C -0.375 176.350 176.870 -0.242 0.000 1.022 482 L CA -0.639 54.173 54.840 -0.047 0.000 0.814 482 L CB 1.231 43.309 42.059 0.032 0.000 1.217 482 L HN 0.624 nan 8.230 nan 0.000 0.420 483 H N 3.565 122.580 119.070 -0.092 0.000 2.620 483 H HA 0.470 5.042 4.556 0.027 0.000 0.313 483 H C -0.273 174.832 175.328 -0.371 0.000 1.075 483 H CA -0.020 55.906 56.048 -0.203 0.000 1.397 483 H CB 0.942 30.567 29.762 -0.228 0.000 1.446 483 H HN 0.452 nan 8.280 nan 0.000 0.493 484 M N 1.774 121.230 119.600 -0.240 0.000 2.705 484 M HA 0.367 4.863 4.480 0.027 0.000 0.311 484 M C -0.916 175.116 176.300 -0.447 0.000 1.214 484 M CA -0.797 54.313 55.300 -0.316 0.000 0.920 484 M CB 1.751 34.319 32.600 -0.054 0.000 1.687 484 M HN 0.456 nan 8.290 nan 0.000 0.481 485 W N 0.276 121.370 121.300 -0.343 0.000 2.417 485 W HA 0.574 5.250 4.660 0.027 0.000 0.317 485 W C 0.207 176.449 176.519 -0.460 0.000 1.121 485 W CA -0.231 56.836 57.345 -0.463 0.000 1.208 485 W CB 0.771 29.777 29.460 -0.756 0.000 1.253 485 W HN 0.643 nan 8.180 nan 0.000 0.533 486 Q N 3.574 123.315 119.800 -0.098 0.000 2.230 486 Q HA 0.591 4.947 4.340 0.027 0.000 0.248 486 Q C -0.597 175.345 176.000 -0.098 0.000 0.915 486 Q CA -0.837 54.780 55.803 -0.310 0.000 0.900 486 Q CB 1.275 29.853 28.738 -0.267 0.000 1.229 486 Q HN 0.521 nan 8.270 nan 0.000 0.439 487 I N 2.047 122.534 120.570 -0.139 0.000 2.331 487 I HA 0.264 4.450 4.170 0.027 0.000 0.292 487 I C 0.659 176.767 176.117 -0.016 0.000 0.998 487 I CA -0.634 60.670 61.300 0.008 0.000 1.267 487 I CB 0.965 38.979 38.000 0.024 0.000 1.386 487 I HN 0.699 nan 8.210 nan 0.000 0.476 497 F N 2.524 122.432 119.950 -0.071 0.000 2.436 497 F HA 0.886 5.429 4.527 0.027 0.000 0.340 497 F C 0.025 175.776 175.800 -0.082 0.000 1.113 497 F CA -0.742 57.206 58.000 -0.086 0.000 1.022 497 F CB 0.985 39.932 39.000 -0.088 0.000 1.128 497 F HN 0.650 nan 8.300 nan 0.000 0.466 498 N N 1.923 120.568 118.700 -0.092 0.000 2.367 498 N HA 0.527 5.283 4.740 0.027 0.000 0.278 498 N C 0.490 175.965 175.510 -0.059 0.000 1.117 498 N CA 0.470 53.468 53.050 -0.086 0.000 0.867 498 N CB 2.463 40.867 38.487 -0.138 0.000 1.649 498 N HN 0.804 nan 8.380 nan 0.000 0.479 499 A N 1.462 124.274 122.820 -0.013 0.000 2.119 499 A HA -0.003 4.333 4.320 0.027 0.000 0.216 499 A C 1.010 178.604 177.584 0.016 0.000 1.152 499 A CA 1.047 53.110 52.037 0.044 0.000 0.708 499 A CB -0.013 18.905 19.000 -0.137 0.000 0.805 499 A HN 0.675 nan 8.150 nan 0.000 0.460 500 D N 0.049 120.353 120.400 -0.160 0.000 2.317 500 D HA -0.035 4.621 4.640 0.027 0.000 0.211 500 D C 1.447 177.626 176.300 -0.203 0.000 0.966 500 D CA 0.744 54.514 54.000 -0.383 0.000 0.876 500 D CB -0.089 40.082 40.800 -1.049 0.000 0.927 500 D HN 0.439 nan 8.370 nan 0.000 0.519 501 K N 0.109 120.340 120.400 -0.280 0.000 2.504 501 K HA 0.077 4.413 4.320 0.027 0.000 0.195 501 K C 1.449 177.967 176.600 -0.138 0.000 1.036 501 K CA 0.271 56.283 56.287 -0.459 0.000 0.984 501 K CB 0.315 32.492 32.500 -0.539 0.000 0.788 501 K HN 0.185 nan 8.250 nan 0.000 0.488 502 L N -0.050 121.156 121.223 -0.028 0.000 2.640 502 L HA 0.067 4.423 4.340 0.027 0.000 0.230 502 L C 1.051 177.942 176.870 0.035 0.000 1.123 502 L CA -0.156 54.693 54.840 0.016 0.000 0.900 502 L CB 0.468 42.566 42.059 0.065 0.000 1.146 502 L HN -0.050 nan 8.230 nan 0.000 0.484 503 T N -0.436 114.124 114.554 0.009 0.000 2.919 503 T HA 0.024 4.390 4.350 0.027 0.000 0.302 503 T C 1.308 176.016 174.700 0.013 0.000 1.031 503 T CA 0.254 62.287 62.100 -0.111 0.000 1.127 503 T CB 1.013 69.601 68.868 -0.467 0.000 0.952 503 T HN 0.330 nan 8.240 nan 0.000 0.540 504 S N 3.164 118.855 115.700 -0.014 0.000 2.593 504 S HA 0.351 4.837 4.470 0.027 0.000 0.217 504 S C 0.905 175.579 174.600 0.123 0.000 0.966 504 S CA -0.139 58.087 58.200 0.044 0.000 0.914 504 S CB -0.085 63.094 63.200 -0.035 0.000 0.776 504 S HN 0.910 nan 8.310 nan 0.000 0.523 505 A N 2.320 125.210 122.820 0.118 0.000 2.371 505 A HA 0.560 4.896 4.320 0.027 0.000 0.257 505 A C 0.651 178.429 177.584 0.323 0.000 1.089 505 A CA -0.204 51.939 52.037 0.176 0.000 0.794 505 A CB 0.113 19.185 19.000 0.120 0.000 1.029 505 A HN 0.553 nan 8.150 nan 0.000 0.488 506 T N 0.356 114.995 114.554 0.140 0.000 2.925 506 T HA 0.407 4.773 4.350 0.027 0.000 0.285 506 T C 0.105 174.572 174.700 -0.388 0.000 1.021 506 T CA -0.985 61.072 62.100 -0.072 0.000 1.042 506 T CB 0.831 69.679 68.868 -0.034 0.000 1.037 506 T HN 0.591 nan 8.240 nan 0.000 0.481 507 N N 2.272 120.363 118.700 -1.016 0.000 2.412 507 N HA 0.140 4.896 4.740 0.027 0.000 0.254 507 N C -1.847 173.351 175.510 -0.519 0.000 1.232 507 N CA -1.758 50.537 53.050 -1.259 0.000 0.880 507 N CB 0.953 38.728 38.487 -1.186 0.000 1.076 507 N HN 0.384 nan 8.380 nan 0.000 0.458 508 P HA 0.113 nan 4.420 nan 0.000 0.275 508 P C -0.574 176.601 177.300 -0.210 0.000 1.310 508 P CA 0.112 63.093 63.100 -0.199 0.000 0.904 508 P CB 0.326 31.994 31.700 -0.053 0.000 1.381 509 D N 0.886 121.150 120.400 -0.227 0.000 2.558 509 D HA 0.070 4.726 4.640 0.027 0.000 0.221 509 D C 0.834 176.987 176.300 -0.244 0.000 1.143 509 D CA -0.070 53.824 54.000 -0.178 0.000 1.010 509 D CB 0.053 40.785 40.800 -0.115 0.000 1.068 509 D HN -0.075 nan 8.370 nan 0.000 0.511 510 K N 1.137 121.337 120.400 -0.333 0.000 2.439 510 K HA -0.062 4.275 4.320 0.027 0.000 0.197 510 K C 1.759 178.241 176.600 -0.197 0.000 1.041 510 K CA 0.937 56.924 56.287 -0.500 0.000 0.970 510 K CB 0.391 32.541 32.500 -0.583 0.000 0.773 510 K HN 0.439 nan 8.250 nan 0.000 0.479 511 E N 1.222 121.348 120.200 -0.124 0.000 2.371 511 E HA -0.072 4.294 4.350 0.027 0.000 0.194 511 E C 1.146 177.726 176.600 -0.033 0.000 1.012 511 E CA 0.908 57.271 56.400 -0.061 0.000 0.860 511 E CB -0.272 29.397 29.700 -0.053 0.000 0.811 511 E HN 0.327 nan 8.360 nan 0.000 0.502 512 N N -0.621 118.059 118.700 -0.033 0.000 2.266 512 N HA 0.048 4.804 4.740 0.027 0.000 0.217 512 N C 0.638 176.162 175.510 0.023 0.000 1.211 512 N CA 0.646 53.693 53.050 -0.004 0.000 0.881 512 N CB 0.668 39.154 38.487 -0.002 0.000 1.153 512 N HN 0.317 nan 8.380 nan 0.000 0.489 513 S N 0.756 116.467 115.700 0.018 0.000 2.584 513 S HA 0.430 4.916 4.470 0.027 0.000 0.273 513 S C 0.440 175.096 174.600 0.095 0.000 1.311 513 S CA -0.764 57.467 58.200 0.052 0.000 1.034 513 S CB 1.308 64.488 63.200 -0.034 0.000 0.939 513 S HN 0.166 nan 8.310 nan 0.000 0.513 514 M N 3.069 122.722 119.600 0.089 0.000 2.252 514 M HA 0.309 4.805 4.480 0.027 0.000 0.321 514 M C -0.332 175.932 176.300 -0.060 0.000 1.070 514 M CA 0.952 56.237 55.300 -0.026 0.000 1.143 514 M CB 0.089 32.558 32.600 -0.219 0.000 1.498 514 M HN 0.788 nan 8.290 nan 0.000 0.445 515 S N 4.000 119.627 115.700 -0.122 0.000 2.751 515 S HA 0.869 5.356 4.470 0.027 0.000 0.310 515 S C -0.988 173.521 174.600 -0.152 0.000 1.128 515 S CA -0.845 57.209 58.200 -0.243 0.000 0.931 515 S CB 1.549 64.578 63.200 -0.284 0.000 1.177 515 S HN 0.803 nan 8.310 nan 0.000 0.530 516 I N 0.526 121.004 120.570 -0.152 0.000 2.828 516 I HA 0.378 4.565 4.170 0.027 0.000 0.295 516 I C -1.638 174.454 176.117 -0.041 0.000 1.459 516 I CA -0.119 61.146 61.300 -0.059 0.000 1.015 516 I CB 2.227 40.206 38.000 -0.034 0.000 1.345 516 I HN 0.647 nan 8.210 nan 0.000 0.449 517 S N 6.300 121.997 115.700 -0.005 0.000 2.526 517 S HA 0.867 5.353 4.470 0.027 0.000 0.293 517 S C -0.990 173.617 174.600 0.012 0.000 1.092 517 S CA -0.544 57.659 58.200 0.005 0.000 0.980 517 S CB 2.081 65.275 63.200 -0.010 0.000 1.048 517 S HN 0.519 nan 8.310 nan 0.000 0.483 518 I N -0.455 120.137 120.570 0.036 0.000 2.908 518 I HA 0.782 4.968 4.170 0.027 0.000 0.300 518 I C -1.849 174.299 176.117 0.052 0.000 1.385 518 I CA -1.116 60.198 61.300 0.023 0.000 1.004 518 I CB 1.703 39.735 38.000 0.054 0.000 1.309 518 I HN 0.541 nan 8.210 nan 0.000 0.449 519 L N 4.810 126.024 121.223 -0.015 0.000 2.356 519 L HA 0.677 5.033 4.340 0.027 0.000 0.277 519 L C -1.775 175.199 176.870 0.172 0.000 0.996 519 L CA -0.518 54.345 54.840 0.039 0.000 0.822 519 L CB 1.731 43.737 42.059 -0.089 0.000 1.256 519 L HN 0.607 nan 8.230 nan 0.000 0.413 520 L N 4.868 126.225 121.223 0.223 0.000 2.283 520 L HA 0.289 4.646 4.340 0.027 0.000 0.281 520 L C 0.486 177.472 176.870 0.194 0.000 1.033 520 L CA -0.113 54.856 54.840 0.216 0.000 0.848 520 L CB 0.820 43.018 42.059 0.232 0.000 1.226 520 L HN 0.865 nan 8.230 nan 0.000 0.429 521 D N 2.278 122.794 120.400 0.194 0.000 2.123 521 D HA -0.050 4.606 4.640 0.027 0.000 0.200 521 D C 0.940 177.271 176.300 0.051 0.000 0.976 521 D CA 1.077 55.149 54.000 0.121 0.000 0.831 521 D CB -0.118 40.697 40.800 0.025 0.000 0.974 521 D HN 0.599 nan 8.370 nan 0.000 0.469 526 P HA 0.579 nan 4.420 nan 0.000 0.286 526 P C -0.672 176.637 177.300 0.016 0.000 1.261 526 P CA -0.446 62.663 63.100 0.016 0.000 0.821 526 P CB 1.837 33.542 31.700 0.009 0.000 1.013 527 I N 1.142 121.726 120.570 0.022 0.000 2.385 527 I HA 0.599 4.785 4.170 0.027 0.000 0.294 527 I C -0.623 175.497 176.117 0.004 0.000 0.988 527 I CA -0.433 60.879 61.300 0.021 0.000 1.265 527 I CB 1.040 39.062 38.000 0.037 0.000 1.388 527 I HN 0.590 nan 8.210 nan 0.000 0.480 528 A N 6.410 129.221 122.820 -0.015 0.000 2.515 528 A HA 0.839 5.175 4.320 0.027 0.000 0.296 528 A C -0.994 176.526 177.584 -0.107 0.000 1.094 528 A CA -0.454 51.561 52.037 -0.036 0.000 0.718 528 A CB 1.485 20.466 19.000 -0.031 0.000 1.307 528 A HN 0.925 nan 8.150 nan 0.000 0.408 529 L N 0.845 122.003 121.223 -0.109 0.000 2.275 529 L HA 0.849 5.205 4.340 0.027 0.000 0.288 529 L C -2.711 173.934 176.870 -0.374 0.000 1.046 529 L CA -1.988 52.685 54.840 -0.278 0.000 0.805 529 L CB 0.356 42.363 42.059 -0.087 0.000 1.193 529 L HN 0.596 nan 8.230 nan 0.000 0.426 530 P HA 0.488 nan 4.420 nan 0.000 0.287 530 P C 0.025 177.110 177.300 -0.359 0.000 1.281 530 P CA -0.303 62.563 63.100 -0.390 0.000 0.781 530 P CB 0.605 32.229 31.700 -0.127 0.000 0.903 531 K N 1.581 121.748 120.400 -0.389 0.000 2.366 531 K HA 0.260 4.596 4.320 0.027 0.000 0.279 531 K C 0.813 177.433 176.600 0.033 0.000 1.098 531 K CA 0.649 56.833 56.287 -0.172 0.000 1.087 531 K CB -1.930 30.444 32.500 -0.209 0.000 0.901 531 K HN 0.822 nan 8.250 nan 0.000 0.463 532 H N -0.589 118.586 119.070 0.176 0.000 3.135 532 H HA 0.423 4.995 4.556 0.027 0.000 0.345 532 H C 0.740 176.184 175.328 0.192 0.000 1.112 532 H CA 0.859 57.066 56.048 0.265 0.000 1.349 532 H CB 0.062 30.066 29.762 0.404 0.000 1.262 532 H HN 1.540 nan 8.280 nan 0.000 0.603 533 Q N 2.385 122.287 119.800 0.170 0.000 2.321 533 Q HA 0.553 4.909 4.340 0.027 0.000 0.270 533 Q C -2.343 173.724 176.000 0.111 0.000 1.032 533 Q CA -1.403 54.471 55.803 0.118 0.000 0.784 533 Q CB 0.105 28.895 28.738 0.087 0.000 1.264 533 Q HN 0.988 nan 8.270 nan 0.000 0.448 534 P HA 0.434 nan 4.420 nan 0.000 0.265 534 P C 0.205 177.546 177.300 0.068 0.000 1.187 534 P CA 0.797 63.950 63.100 0.089 0.000 0.766 534 P CB 0.681 32.424 31.700 0.073 0.000 0.820 542 R N 0.220 120.630 120.500 -0.149 0.000 2.702 542 R HA 0.677 5.033 4.340 0.027 0.000 0.314 542 R C 0.912 177.129 176.300 -0.139 0.000 1.152 542 R CA 0.679 56.683 56.100 -0.160 0.000 1.097 542 R CB -1.000 29.241 30.300 -0.099 0.000 1.343 542 R HN 1.554 nan 8.270 nan 0.000 0.575 543 V N -3.311 116.514 119.914 -0.149 0.000 2.649 543 V HA 0.903 5.039 4.120 0.027 0.000 0.292 543 V C 0.354 176.376 176.094 -0.119 0.000 1.055 543 V CA -0.783 61.451 62.300 -0.110 0.000 1.023 543 V CB 1.070 32.838 31.823 -0.091 0.000 0.992 543 V HN 0.673 nan 8.190 nan 0.000 0.480 544 R N 2.090 122.545 120.500 -0.075 0.000 2.561 544 R HA 0.941 5.297 4.340 0.027 0.000 0.297 544 R C -0.350 175.935 176.300 -0.024 0.000 0.969 544 R CA -0.243 55.824 56.100 -0.054 0.000 0.879 544 R CB 1.500 31.773 30.300 -0.045 0.000 1.178 544 R HN 2.134 nan 8.270 nan 0.000 0.445 545 A N 0.526 123.344 122.820 -0.003 0.000 2.423 545 A HA 0.910 5.246 4.320 0.027 0.000 0.304 545 A C 0.205 177.810 177.584 0.036 0.000 1.104 545 A CA 0.004 52.052 52.037 0.019 0.000 0.757 545 A CB 1.107 20.125 19.000 0.030 0.000 1.313 545 A HN 1.542 nan 8.150 nan 0.000 0.423 546 E N 0.202 120.420 120.200 0.031 0.000 2.345 546 E HA 0.596 4.962 4.350 0.027 0.000 0.259 546 E C -0.323 176.294 176.600 0.029 0.000 1.117 546 E CA 0.076 56.488 56.400 0.019 0.000 0.913 546 E CB 0.712 30.417 29.700 0.010 0.000 1.057 546 E HN 1.034 nan 8.360 nan 0.000 0.432 547 M N 1.799 121.385 119.600 -0.024 0.000 2.243 547 M HA 0.497 4.993 4.480 0.027 0.000 0.324 547 M C -2.529 173.720 176.300 -0.085 0.000 1.031 547 M CA -1.702 53.539 55.300 -0.097 0.000 0.949 547 M CB 1.994 34.436 32.600 -0.263 0.000 1.615 547 M HN 0.333 nan 8.290 nan 0.000 0.430 548 P HA 0.093 nan 4.420 nan 0.000 0.270 548 P C -0.464 176.799 177.300 -0.061 0.000 1.216 548 P CA 0.003 63.085 63.100 -0.031 0.000 0.788 548 P CB 0.552 32.252 31.700 0.001 0.000 0.883 549 N N 0.479 119.156 118.700 -0.038 0.000 2.148 549 N HA -0.125 4.631 4.740 0.027 0.000 0.186 549 N C 1.453 176.936 175.510 -0.045 0.000 1.031 549 N CA 0.994 54.019 53.050 -0.041 0.000 0.848 549 N CB -0.707 37.765 38.487 -0.024 0.000 1.005 549 N HN 0.475 nan 8.380 nan 0.000 0.427 550 Q N 0.490 120.272 119.800 -0.030 0.000 2.500 550 Q HA 0.106 4.462 4.340 0.027 0.000 0.213 550 Q C 1.386 177.368 176.000 -0.030 0.000 0.974 550 Q CA 0.804 56.594 55.803 -0.022 0.000 0.918 550 Q CB -0.116 28.618 28.738 -0.008 0.000 0.980 550 Q HN 0.400 nan 8.270 nan 0.000 0.505 551 L N -0.934 120.256 121.223 -0.056 0.000 2.130 551 L HA 0.079 4.435 4.340 0.027 0.000 0.200 551 L C 2.542 179.330 176.870 -0.137 0.000 1.075 551 L CA 1.006 55.797 54.840 -0.081 0.000 0.768 551 L CB -0.473 41.516 42.059 -0.117 0.000 0.933 551 L HN 0.185 nan 8.230 nan 0.000 0.451 552 R N 0.925 121.316 120.500 -0.182 0.000 2.127 552 R HA -0.178 4.178 4.340 0.027 0.000 0.238 552 R C 2.186 178.429 176.300 -0.095 0.000 1.134 552 R CA 1.313 57.312 56.100 -0.168 0.000 0.975 552 R CB 0.016 30.226 30.300 -0.150 0.000 0.865 552 R HN 0.266 nan 8.270 nan 0.000 0.447 553 K N 0.260 120.621 120.400 -0.065 0.000 2.032 553 K HA -0.219 4.117 4.320 0.027 0.000 0.209 553 K C 2.256 178.835 176.600 -0.035 0.000 1.048 553 K CA 2.201 58.465 56.287 -0.038 0.000 0.927 553 K CB -0.093 32.392 32.500 -0.026 0.000 0.712 553 K HN 0.406 nan 8.250 nan 0.000 0.441 554 Q N 0.477 120.255 119.800 -0.036 0.000 2.083 554 Q HA -0.134 4.222 4.340 0.027 0.000 0.198 554 Q C 2.182 178.164 176.000 -0.030 0.000 0.969 554 Q CA 0.818 56.609 55.803 -0.021 0.000 0.838 554 Q CB -0.140 28.596 28.738 -0.004 0.000 0.900 554 Q HN 0.153 nan 8.270 nan 0.000 0.436 555 L N 1.544 122.732 121.223 -0.059 0.000 1.933 555 L HA -0.245 4.111 4.340 0.027 0.000 0.220 555 L C 2.058 178.878 176.870 -0.085 0.000 1.078 555 L CA 1.909 56.701 54.840 -0.080 0.000 0.773 555 L CB -0.390 41.583 42.059 -0.144 0.000 0.890 555 L HN 0.174 nan 8.230 nan 0.000 0.434 556 E N -0.642 119.501 120.200 -0.095 0.000 2.273 556 E HA -0.269 4.097 4.350 0.027 0.000 0.198 556 E C 1.944 178.530 176.600 -0.024 0.000 1.002 556 E CA 0.933 57.294 56.400 -0.064 0.000 0.828 556 E CB -0.274 29.413 29.700 -0.021 0.000 0.747 556 E HN 0.664 nan 8.360 nan 0.000 0.491 557 A N 1.370 124.177 122.820 -0.021 0.000 1.872 557 A HA -0.105 4.231 4.320 0.027 0.000 0.214 557 A C 2.181 179.763 177.584 -0.002 0.000 1.187 557 A CA 0.660 52.693 52.037 -0.007 0.000 0.614 557 A CB -0.429 18.567 19.000 -0.006 0.000 0.826 557 A HN 0.091 nan 8.150 nan 0.000 0.442 558 I N 0.102 120.668 120.570 -0.006 0.000 2.127 558 I HA -0.288 3.898 4.170 0.027 0.000 0.241 558 I C 2.136 178.257 176.117 0.006 0.000 1.075 558 I CA 1.615 62.916 61.300 0.002 0.000 1.334 558 I CB -0.383 37.617 38.000 -0.000 0.000 1.040 558 I HN 0.283 nan 8.210 nan 0.000 0.405 559 I N 0.737 121.303 120.570 -0.007 0.000 2.800 559 I HA -0.249 3.937 4.170 0.027 0.000 0.266 559 I C 2.377 178.511 176.117 0.029 0.000 1.249 559 I CA 0.953 62.257 61.300 0.007 0.000 1.458 559 I CB -0.423 37.560 38.000 -0.029 0.000 1.093 559 I HN 0.232 nan 8.210 nan 0.000 0.466 560 A N 0.124 122.956 122.820 0.021 0.000 2.147 560 A HA 0.039 4.375 4.320 0.027 0.000 0.211 560 A C 1.461 179.058 177.584 0.021 0.000 1.160 560 A CA 0.640 52.692 52.037 0.025 0.000 0.781 560 A CB -0.456 18.556 19.000 0.020 0.000 0.842 560 A HN 0.438 nan 8.150 nan 0.000 0.475 561 T N -0.172 114.394 114.554 0.020 0.000 2.726 561 T HA 0.373 4.740 4.350 0.027 0.000 0.294 561 T C -0.075 174.638 174.700 0.022 0.000 1.013 561 T CA -0.035 62.075 62.100 0.018 0.000 0.996 561 T CB 0.249 69.127 68.868 0.017 0.000 1.016 561 T HN 0.437 nan 8.240 nan 0.000 0.529 562 D N 0.582 120.992 120.400 0.017 0.000 2.339 562 D HA 0.315 4.971 4.640 0.027 0.000 0.245 562 D C -1.880 174.440 176.300 0.032 0.000 1.115 562 D CA -1.825 52.187 54.000 0.019 0.000 0.917 562 D CB 0.233 41.037 40.800 0.007 0.000 1.192 562 D HN 0.175 nan 8.370 nan 0.000 0.428 563 P HA -0.188 nan 4.420 nan 0.000 0.216 563 P C 1.130 178.459 177.300 0.047 0.000 1.157 563 P CA 0.785 63.919 63.100 0.056 0.000 0.880 563 P CB 0.071 31.805 31.700 0.057 0.000 0.791 564 L N -1.870 119.376 121.223 0.039 0.000 2.622 564 L HA 0.002 4.358 4.340 0.027 0.000 0.233 564 L C 0.686 177.572 176.870 0.027 0.000 1.156 564 L CA 0.753 55.614 54.840 0.034 0.000 0.866 564 L CB -1.631 40.453 42.059 0.042 0.000 0.980 564 L HN -0.073 nan 8.230 nan 0.000 0.448 565 N N 0.486 119.202 118.700 0.026 0.000 2.420 565 N HA 0.140 4.896 4.740 0.027 0.000 0.262 565 N C -2.397 173.125 175.510 0.021 0.000 1.144 565 N CA -1.437 51.626 53.050 0.022 0.000 0.952 565 N CB 0.659 39.159 38.487 0.022 0.000 1.081 565 N HN -0.054 nan 8.380 nan 0.000 0.480 566 P HA 0.164 nan 4.420 nan 0.000 0.274 566 P C -0.569 176.739 177.300 0.012 0.000 1.231 566 P CA -0.161 62.944 63.100 0.010 0.000 0.790 566 P CB 0.764 32.468 31.700 0.006 0.000 0.951 567 L N 1.422 122.652 121.223 0.011 0.000 2.309 567 L HA 0.393 4.749 4.340 0.027 0.000 0.282 567 L C 1.180 178.055 176.870 0.008 0.000 1.036 567 L CA -0.635 54.214 54.840 0.014 0.000 0.806 567 L CB 1.429 43.499 42.059 0.018 0.000 1.220 567 L HN 0.457 nan 8.230 nan 0.000 0.429 568 T N -0.775 113.785 114.554 0.010 0.000 2.816 568 T HA 0.311 4.677 4.350 0.027 0.000 0.282 568 T C 1.190 175.893 174.700 0.005 0.000 0.993 568 T CA -0.090 62.014 62.100 0.006 0.000 0.994 568 T CB 1.531 70.404 68.868 0.008 0.000 1.025 568 T HN 0.645 nan 8.240 nan 0.000 0.529 569 A N 0.381 123.201 122.820 -0.000 0.000 2.125 569 A HA -0.036 4.300 4.320 0.027 0.000 0.219 569 A C 2.057 179.642 177.584 0.002 0.000 1.156 569 A CA 1.499 53.533 52.037 -0.005 0.000 0.671 569 A CB -0.858 18.136 19.000 -0.011 0.000 0.794 569 A HN 0.962 nan 8.150 nan 0.000 0.459 570 E N -0.450 119.754 120.200 0.007 0.000 2.166 570 E HA -0.065 4.301 4.350 0.027 0.000 0.192 570 E C 1.173 177.789 176.600 0.027 0.000 0.967 570 E CA 0.566 56.973 56.400 0.012 0.000 0.840 570 E CB -0.103 29.602 29.700 0.008 0.000 0.795 570 E HN 0.411 nan 8.360 nan 0.000 0.470 571 D N 1.514 121.930 120.400 0.026 0.000 2.123 571 D HA -0.146 4.510 4.640 0.027 0.000 0.196 571 D C 1.650 177.977 176.300 0.045 0.000 0.992 571 D CA 1.192 55.213 54.000 0.034 0.000 0.833 571 D CB -0.024 40.791 40.800 0.025 0.000 0.954 571 D HN 0.071 nan 8.370 nan 0.000 0.455 572 K N 0.548 120.969 120.400 0.036 0.000 2.026 572 K HA -0.098 4.238 4.320 0.027 0.000 0.208 572 K C 2.064 178.713 176.600 0.082 0.000 1.048 572 K CA 1.031 57.344 56.287 0.044 0.000 0.929 572 K CB -0.012 32.495 32.500 0.011 0.000 0.713 572 K HN 0.247 nan 8.250 nan 0.000 0.439 573 E N 0.698 120.936 120.200 0.064 0.000 2.153 573 E HA -0.200 4.166 4.350 0.027 0.000 0.194 573 E C 2.002 178.678 176.600 0.126 0.000 0.988 573 E CA 0.781 57.236 56.400 0.093 0.000 0.811 573 E CB -0.092 29.624 29.700 0.027 0.000 0.746 573 E HN 0.135 nan 8.360 nan 0.000 0.466 574 L N 0.738 122.026 121.223 0.108 0.000 2.072 574 L HA -0.093 4.263 4.340 0.027 0.000 0.205 574 L C 2.049 179.041 176.870 0.203 0.000 1.079 574 L CA 1.208 56.148 54.840 0.167 0.000 0.752 574 L CB -0.218 41.930 42.059 0.149 0.000 0.906 574 L HN 0.014 nan 8.230 nan 0.000 0.436 575 L N -1.177 120.125 121.223 0.133 0.000 2.056 575 L HA -0.221 4.136 4.340 0.027 0.000 0.207 575 L C 2.295 179.206 176.870 0.069 0.000 1.078 575 L CA 1.892 56.782 54.840 0.084 0.000 0.749 575 L CB -1.211 40.873 42.059 0.042 0.000 0.901 575 L HN 0.553 nan 8.230 nan 0.000 0.433 576 W N -0.526 120.733 121.300 -0.067 0.000 2.453 576 W HA -0.180 4.491 4.660 0.019 0.000 0.289 576 W C 2.531 178.983 176.519 -0.112 0.000 1.215 576 W CA 1.413 58.683 57.345 -0.125 0.000 1.297 576 W CB -0.386 28.998 29.460 -0.127 0.000 1.113 576 W HN 0.366 nan 8.180 nan 0.000 0.551 577 H N -0.632 118.311 119.070 -0.212 0.000 2.352 577 H HA -0.192 4.384 4.556 0.034 0.000 0.299 577 H C 0.546 175.533 175.328 -0.568 0.000 1.097 577 H CA 1.709 57.494 56.048 -0.438 0.000 1.311 577 H CB -0.766 28.735 29.762 -0.435 0.000 1.377 577 H HN 0.059 nan 8.280 nan 0.000 0.504 578 F N 1.449 121.272 119.950 -0.212 0.000 2.837 578 F HA 0.172 4.692 4.527 -0.012 0.000 0.298 578 F C 1.826 177.467 175.800 -0.265 0.000 1.161 578 F CA -0.562 57.308 58.000 -0.217 0.000 1.353 578 F CB 0.229 39.182 39.000 -0.078 0.000 0.951 578 F HN 0.135 nan 8.300 nan 0.000 0.508 579 R N -1.049 119.248 120.500 -0.337 0.000 2.159 579 R HA -0.221 4.135 4.340 0.027 0.000 0.237 579 R C 0.850 176.884 176.300 -0.442 0.000 1.131 579 R CA 1.723 57.526 56.100 -0.495 0.000 0.982 579 R CB -0.950 28.799 30.300 -0.918 0.000 0.868 579 R HN 0.374 nan 8.270 nan 0.000 0.453 580 Y N 0.962 121.166 120.300 -0.160 0.000 2.519 580 Y HA 0.025 4.590 4.550 0.025 0.000 0.287 580 Y C 2.941 178.832 175.900 -0.015 0.000 1.128 580 Y CA 1.222 59.270 58.100 -0.086 0.000 1.282 580 Y CB 0.009 38.418 38.460 -0.085 0.000 1.027 580 Y HN 0.423 nan 8.280 nan 0.000 0.551 581 E N -0.482 119.784 120.200 0.109 0.000 2.385 581 E HA -0.021 4.345 4.350 0.027 0.000 0.194 581 E C 1.846 178.474 176.600 0.047 0.000 1.013 581 E CA 0.989 57.438 56.400 0.082 0.000 0.866 581 E CB -0.554 29.155 29.700 0.015 0.000 0.832 581 E HN 0.395 nan 8.360 nan 0.000 0.500 582 S N 0.135 115.825 115.700 -0.017 0.000 2.470 582 S HA 0.066 4.552 4.470 0.027 0.000 0.225 582 S C 1.750 176.394 174.600 0.073 0.000 1.006 582 S CA 0.549 58.713 58.200 -0.060 0.000 0.934 582 S CB 0.028 63.147 63.200 -0.135 0.000 0.778 582 S HN 0.365 nan 8.310 nan 0.000 0.517 583 L N 1.797 123.064 121.223 0.073 0.000 2.465 583 L HA 0.162 4.518 4.340 0.027 0.000 0.224 583 L C 1.651 178.761 176.870 0.401 0.000 1.145 583 L CA 1.375 56.331 54.840 0.194 0.000 0.834 583 L CB -0.325 41.785 42.059 0.084 0.000 0.944 583 L HN 0.085 nan 8.230 nan 0.000 0.451 584 K N -1.468 119.144 120.400 0.354 0.000 2.243 584 K HA 0.029 4.365 4.320 0.027 0.000 0.201 584 K C -0.259 176.497 176.600 0.260 0.000 1.051 584 K CA 0.417 56.883 56.287 0.298 0.000 0.970 584 K CB 0.016 32.659 32.500 0.238 0.000 0.755 584 K HN 0.334 nan 8.250 nan 0.000 0.465 585 H N 0.147 119.304 119.070 0.144 0.000 2.641 585 H HA 0.157 4.732 4.556 0.033 0.000 0.295 585 H C -2.135 173.282 175.328 0.148 0.000 1.070 585 H CA -2.800 53.311 56.048 0.105 0.000 1.257 585 H CB 0.977 30.786 29.762 0.078 0.000 1.393 585 H HN -0.094 nan 8.280 nan 0.000 0.464 586 P HA -0.112 nan 4.420 nan 0.000 0.225 586 P C 0.796 178.144 177.300 0.080 0.000 1.148 586 P CA 1.117 64.122 63.100 -0.158 0.000 0.779 586 P CB 0.352 31.947 31.700 -0.176 0.000 0.780 587 K N -0.801 119.682 120.400 0.139 0.000 2.525 587 K HA 0.139 4.475 4.320 0.027 0.000 0.192 587 K C 1.521 178.230 176.600 0.181 0.000 1.029 587 K CA 0.589 56.957 56.287 0.136 0.000 1.029 587 K CB -0.080 32.476 32.500 0.092 0.000 0.814 587 K HN 0.071 nan 8.250 nan 0.000 0.503 588 A N -0.398 122.576 122.820 0.256 0.000 2.390 588 A HA 0.082 4.418 4.320 0.027 0.000 0.232 588 A C 0.970 178.684 177.584 0.217 0.000 1.233 588 A CA -0.115 52.033 52.037 0.185 0.000 0.907 588 A CB -0.045 19.010 19.000 0.091 0.000 0.967 588 A HN 0.132 nan 8.150 nan 0.000 0.512 589 Y N 0.866 121.194 120.300 0.047 0.000 2.145 589 Y HA -0.056 4.509 4.550 0.026 0.000 0.286 589 Y C -0.449 175.539 175.900 0.146 0.000 1.145 589 Y CA 1.657 59.771 58.100 0.023 0.000 1.148 589 Y CB -1.604 36.951 38.460 0.158 0.000 0.981 589 Y HN 0.270 nan 8.280 nan 0.000 0.507 590 P HA -0.153 nan 4.420 nan 0.000 0.217 590 P C 1.331 178.880 177.300 0.415 0.000 1.150 590 P CA 1.954 65.242 63.100 0.313 0.000 0.832 590 P CB 0.054 31.885 31.700 0.219 0.000 0.787 591 K N -0.938 119.596 120.400 0.223 0.000 2.228 591 K HA -0.007 4.329 4.320 0.027 0.000 0.202 591 K C 1.967 178.618 176.600 0.085 0.000 1.051 591 K CA 0.840 57.215 56.287 0.147 0.000 0.960 591 K CB -0.968 31.583 32.500 0.085 0.000 0.743 591 K HN 0.211 nan 8.250 nan 0.000 0.458 592 L N -0.316 120.889 121.223 -0.030 0.000 2.162 592 L HA 0.118 4.474 4.340 0.027 0.000 0.205 592 L C 1.714 178.472 176.870 -0.187 0.000 1.086 592 L CA 1.192 55.905 54.840 -0.211 0.000 0.778 592 L CB -0.253 41.500 42.059 -0.509 0.000 0.928 592 L HN -0.076 nan 8.230 nan 0.000 0.446 593 F N -0.887 119.180 119.950 0.195 0.000 2.811 593 F HA 0.095 4.642 4.527 0.033 0.000 0.301 593 F C 2.037 178.116 175.800 0.465 0.000 1.151 593 F CA 0.327 58.525 58.000 0.331 0.000 1.412 593 F CB -0.181 39.051 39.000 0.386 0.000 1.113 593 F HN 0.026 nan 8.300 nan 0.000 0.579 594 S N -1.208 114.747 115.700 0.425 0.000 2.575 594 S HA 0.001 4.487 4.470 0.027 0.000 0.215 594 S C 1.636 176.307 174.600 0.119 0.000 0.966 594 S CA 0.235 58.559 58.200 0.207 0.000 0.911 594 S CB -0.020 63.229 63.200 0.081 0.000 0.780 594 S HN 0.129 nan 8.310 nan 0.000 0.514 595 S N 1.059 116.806 115.700 0.079 0.000 2.597 595 S HA 0.237 4.724 4.470 0.027 0.000 0.224 595 S C 0.262 174.748 174.600 -0.191 0.000 0.955 595 S CA -0.156 58.037 58.200 -0.011 0.000 0.933 595 S CB 0.418 63.645 63.200 0.045 0.000 0.788 595 S HN 0.145 nan 8.310 nan 0.000 0.488 596 V N 2.806 122.537 119.914 -0.305 0.000 2.465 596 V HA 0.215 4.351 4.120 0.027 0.000 0.279 596 V C 0.163 175.809 176.094 -0.746 0.000 1.045 596 V CA -0.653 61.152 62.300 -0.826 0.000 0.938 596 V CB 1.306 32.307 31.823 -1.369 0.000 0.986 596 V HN 0.216 nan 8.190 nan 0.000 0.467 597 K N 4.910 124.872 120.400 -0.731 0.000 2.228 597 K HA 0.079 4.415 4.320 0.027 0.000 0.284 597 K C 0.012 176.338 176.600 -0.457 0.000 1.088 597 K CA 0.257 56.275 56.287 -0.448 0.000 0.941 597 K CB 0.326 32.591 32.500 -0.393 0.000 1.158 597 K HN 0.688 nan 8.250 nan 0.000 0.438 598 W N 1.088 122.237 121.300 -0.252 0.000 2.770 598 W HA 0.051 4.728 4.660 0.029 0.000 0.256 598 W C 1.855 178.191 176.519 -0.304 0.000 1.291 598 W CA -0.208 56.951 57.345 -0.309 0.000 1.396 598 W CB 0.347 29.515 29.460 -0.487 0.000 1.114 598 W HN 0.681 nan 8.180 nan 0.000 0.637 599 G N 0.032 108.797 108.800 -0.057 0.000 3.155 599 G HA2 -0.047 3.929 3.960 0.027 0.000 0.213 599 G HA3 -0.047 3.929 3.960 0.027 0.000 0.213 599 G C 0.184 175.036 174.900 -0.080 0.000 1.196 599 G CA -0.068 44.984 45.100 -0.080 0.000 0.846 599 G HN 0.185 nan 8.290 nan 0.000 0.516 600 Q N -0.271 119.466 119.800 -0.104 0.000 2.414 600 Q HA 0.221 4.577 4.340 0.027 0.000 0.256 600 Q C 1.187 177.135 176.000 -0.088 0.000 0.974 600 Q CA -0.595 55.144 55.803 -0.106 0.000 0.723 600 Q CB 1.429 30.070 28.738 -0.162 0.000 1.281 600 Q HN 0.200 nan 8.270 nan 0.000 0.470 601 Q N 1.854 121.641 119.800 -0.023 0.000 2.197 601 Q HA -0.311 4.045 4.340 0.027 0.000 0.211 601 Q C 1.299 177.265 176.000 -0.057 0.000 0.993 601 Q CA 2.930 58.750 55.803 0.028 0.000 0.883 601 Q CB -0.006 28.782 28.738 0.082 0.000 0.916 601 Q HN 0.721 nan 8.270 nan 0.000 0.418 602 E N 0.506 120.648 120.200 -0.095 0.000 2.122 602 E HA -0.003 4.363 4.350 0.027 0.000 0.190 602 E C 1.915 178.472 176.600 -0.072 0.000 0.977 602 E CA 1.007 57.347 56.400 -0.099 0.000 0.820 602 E CB -0.503 29.146 29.700 -0.085 0.000 0.770 602 E HN 0.403 nan 8.360 nan 0.000 0.462 603 I N 1.288 121.782 120.570 -0.126 0.000 2.099 603 I HA -0.217 3.970 4.170 0.027 0.000 0.239 603 I C 2.715 178.709 176.117 -0.205 0.000 1.066 603 I CA 1.123 62.295 61.300 -0.213 0.000 1.324 603 I CB -1.165 36.549 38.000 -0.476 0.000 1.037 603 I HN 0.219 nan 8.210 nan 0.000 0.401 604 V N 1.508 121.278 119.914 -0.241 0.000 2.370 604 V HA -0.331 3.805 4.120 0.027 0.000 0.252 604 V C 2.777 178.794 176.094 -0.127 0.000 1.068 604 V CA 2.040 64.215 62.300 -0.208 0.000 1.061 604 V CB -1.341 30.433 31.823 -0.083 0.000 0.656 604 V HN 0.509 nan 8.190 nan 0.000 0.455 605 A N -0.699 122.066 122.820 -0.091 0.000 1.897 605 A HA -0.184 4.152 4.320 0.027 0.000 0.215 605 A C 2.288 179.932 177.584 0.100 0.000 1.181 605 A CA 1.680 53.692 52.037 -0.042 0.000 0.620 605 A CB -0.440 18.537 19.000 -0.039 0.000 0.821 605 A HN 0.510 nan 8.150 nan 0.000 0.443 606 K N -0.600 119.872 120.400 0.119 0.000 2.218 606 K HA -0.123 4.213 4.320 0.027 0.000 0.205 606 K C 1.965 178.706 176.600 0.236 0.000 1.046 606 K CA 1.766 58.168 56.287 0.193 0.000 0.933 606 K CB -0.267 32.410 32.500 0.295 0.000 0.728 606 K HN 0.545 nan 8.250 nan 0.000 0.454 607 T N 0.002 114.724 114.554 0.280 0.000 2.770 607 T HA -0.117 4.249 4.350 0.027 0.000 0.263 607 T C 1.571 176.491 174.700 0.367 0.000 1.039 607 T CA 1.074 63.359 62.100 0.308 0.000 1.142 607 T CB -0.405 68.581 68.868 0.197 0.000 0.868 607 T HN 0.288 nan 8.240 nan 0.000 0.435 608 Y N 1.897 122.273 120.300 0.127 0.000 2.207 608 Y HA -0.208 4.357 4.550 0.026 0.000 0.287 608 Y C 2.825 178.787 175.900 0.103 0.000 1.156 608 Y CA 0.721 58.893 58.100 0.120 0.000 1.182 608 Y CB -0.288 38.255 38.460 0.138 0.000 0.979 608 Y HN 0.315 nan 8.280 nan 0.000 0.521 609 Q N -0.636 119.324 119.800 0.266 0.000 2.437 609 Q HA -0.149 4.208 4.340 0.027 0.000 0.210 609 Q C 1.830 177.932 176.000 0.170 0.000 0.972 609 Q CA 0.660 56.575 55.803 0.187 0.000 0.903 609 Q CB -0.021 28.815 28.738 0.164 0.000 0.967 609 Q HN 0.399 nan 8.270 nan 0.000 0.486 610 L N -0.147 121.163 121.223 0.146 0.000 2.145 610 L HA 0.023 4.379 4.340 0.027 0.000 0.201 610 L C 1.626 178.553 176.870 0.095 0.000 1.075 610 L CA 1.278 56.168 54.840 0.083 0.000 0.773 610 L CB -0.160 41.874 42.059 -0.043 0.000 0.936 610 L HN 0.165 nan 8.230 nan 0.000 0.451 611 L N -0.112 121.163 121.223 0.087 0.000 2.551 611 L HA -0.122 4.234 4.340 0.027 0.000 0.230 611 L C 2.187 179.085 176.870 0.048 0.000 1.163 611 L CA 0.723 55.580 54.840 0.028 0.000 0.826 611 L CB -0.746 41.261 42.059 -0.087 0.000 0.943 611 L HN 0.336 nan 8.230 nan 0.000 0.452 612 A N 0.052 122.922 122.820 0.083 0.000 2.178 612 A HA 0.089 4.425 4.320 0.027 0.000 0.211 612 A C 2.247 179.893 177.584 0.104 0.000 1.157 612 A CA 0.833 52.922 52.037 0.086 0.000 0.780 612 A CB -0.426 18.631 19.000 0.094 0.000 0.828 612 A HN 0.375 nan 8.150 nan 0.000 0.476 613 R N 0.550 121.128 120.500 0.130 0.000 2.702 613 R HA 0.313 4.669 4.340 0.027 0.000 0.314 613 R C 0.620 177.023 176.300 0.171 0.000 1.152 613 R CA -0.312 55.875 56.100 0.145 0.000 1.097 613 R CB -1.145 29.265 30.300 0.183 0.000 1.343 613 R HN 0.503 nan 8.270 nan 0.000 0.575 614 R N 1.032 121.637 120.500 0.175 0.000 4.902 614 R HA 0.104 4.460 4.340 0.027 0.000 0.201 614 R C 1.613 178.045 176.300 0.219 0.000 2.020 614 R CA 0.493 56.742 56.100 0.248 0.000 1.674 614 R CB -0.081 30.370 30.300 0.252 0.000 1.349 614 R HN 0.729 nan 8.270 nan 0.000 0.813 615 E N 0.462 120.766 120.200 0.173 0.000 2.046 615 E HA -0.100 4.266 4.350 0.027 0.000 0.190 615 E C 1.810 178.485 176.600 0.124 0.000 0.982 615 E CA 1.446 57.920 56.400 0.124 0.000 0.800 615 E CB -0.193 29.562 29.700 0.091 0.000 0.756 615 E HN 0.235 nan 8.360 nan 0.000 0.449 616 V N -0.530 119.479 119.914 0.159 0.000 2.407 616 V HA -0.157 3.979 4.120 0.027 0.000 0.245 616 V C 2.276 178.433 176.094 0.105 0.000 1.041 616 V CA 1.341 63.711 62.300 0.116 0.000 1.040 616 V CB -0.752 31.155 31.823 0.141 0.000 0.671 616 V HN 0.778 nan 8.190 nan 0.000 0.455 617 W N 1.830 123.132 121.300 0.003 0.000 2.315 617 W HA -0.232 4.443 4.660 0.026 0.000 0.323 617 W C 2.129 178.615 176.519 -0.054 0.000 1.233 617 W CA 2.327 59.625 57.345 -0.079 0.000 1.267 617 W CB -0.321 29.153 29.460 0.024 0.000 1.160 617 W HN 0.338 nan 8.180 nan 0.000 0.474 618 D N -0.063 120.414 120.400 0.128 0.000 2.158 618 D HA -0.229 4.427 4.640 0.027 0.000 0.197 618 D C 2.055 178.296 176.300 -0.098 0.000 0.995 618 D CA 1.712 55.722 54.000 0.018 0.000 0.846 618 D CB -0.682 40.174 40.800 0.093 0.000 0.941 618 D HN 0.446 nan 8.370 nan 0.000 0.456 619 Q N 0.318 120.072 119.800 -0.076 0.000 2.451 619 Q HA 0.027 4.383 4.340 0.027 0.000 0.206 619 Q C 0.595 176.501 176.000 -0.157 0.000 0.947 619 Q CA -0.021 55.727 55.803 -0.092 0.000 0.937 619 Q CB 0.291 29.000 28.738 -0.048 0.000 1.025 619 Q HN 0.161 nan 8.270 nan 0.000 0.511 620 S N 0.138 115.685 115.700 -0.255 0.000 2.580 620 S HA 0.467 4.953 4.470 0.027 0.000 0.274 620 S C 0.127 174.538 174.600 -0.316 0.000 1.329 620 S CA -0.707 57.311 58.200 -0.303 0.000 1.036 620 S CB 1.365 64.305 63.200 -0.434 0.000 0.919 620 S HN 0.215 nan 8.310 nan 0.000 0.515 621 A N 3.326 125.998 122.820 -0.247 0.000 2.492 621 A HA 0.391 4.727 4.320 0.027 0.000 0.254 621 A C 0.309 177.731 177.584 -0.271 0.000 1.091 621 A CA -0.604 51.304 52.037 -0.215 0.000 0.768 621 A CB -0.408 18.495 19.000 -0.160 0.000 1.028 621 A HN 1.172 nan 8.150 nan 0.000 0.498 622 L N 2.489 123.557 121.223 -0.258 0.000 2.678 622 L HA 0.040 4.396 4.340 0.027 0.000 0.285 622 L C -0.138 176.587 176.870 -0.242 0.000 1.233 622 L CA 1.016 55.694 54.840 -0.271 0.000 0.920 622 L CB -0.021 41.921 42.059 -0.194 0.000 1.176 622 L HN 0.714 nan 8.230 nan 0.000 0.495 623 D N 3.837 124.078 120.400 -0.266 0.000 2.542 623 D HA 0.209 4.865 4.640 0.027 0.000 0.252 623 D C 0.468 176.646 176.300 -0.204 0.000 1.222 623 D CA -0.489 53.380 54.000 -0.219 0.000 0.895 623 D CB 1.519 42.196 40.800 -0.205 0.000 1.207 623 D HN 0.309 nan 8.370 nan 0.000 0.558 624 V N 3.613 123.399 119.914 -0.214 0.000 2.719 624 V HA 0.070 4.206 4.120 0.027 0.000 0.252 624 V C 2.434 178.413 176.094 -0.191 0.000 1.065 624 V CA 1.687 63.834 62.300 -0.256 0.000 1.086 624 V CB -0.283 31.294 31.823 -0.410 0.000 0.700 624 V HN 0.708 nan 8.190 nan 0.000 0.467 625 G N 0.237 108.949 108.800 -0.146 0.000 2.469 625 G HA2 -0.286 3.690 3.960 0.027 0.000 0.219 625 G HA3 -0.286 3.690 3.960 0.027 0.000 0.219 625 G C 1.566 176.432 174.900 -0.057 0.000 1.150 625 G CA 1.384 46.433 45.100 -0.086 0.000 0.763 625 G HN 0.436 nan 8.290 nan 0.000 0.561 626 L N 0.522 121.712 121.223 -0.055 0.000 2.023 626 L HA 0.058 4.414 4.340 0.027 0.000 0.205 626 L C 3.107 179.986 176.870 0.014 0.000 1.073 626 L CA 2.380 57.223 54.840 0.005 0.000 0.745 626 L CB -0.890 41.184 42.059 0.025 0.000 0.900 626 L HN 0.199 nan 8.230 nan 0.000 0.435 627 T N -0.137 114.408 114.554 -0.016 0.000 2.635 627 T HA -0.262 4.104 4.350 0.027 0.000 0.267 627 T C 1.974 176.638 174.700 -0.061 0.000 1.040 627 T CA 2.051 64.144 62.100 -0.011 0.000 1.156 627 T CB -0.270 68.543 68.868 -0.092 0.000 0.863 627 T HN 0.214 nan 8.240 nan 0.000 0.430 628 M N 1.302 120.851 119.600 -0.085 0.000 2.103 628 M HA -0.211 4.285 4.480 0.027 0.000 0.255 628 M C 2.358 178.635 176.300 -0.037 0.000 1.074 628 M CA 1.761 57.026 55.300 -0.058 0.000 1.090 628 M CB -1.354 31.215 32.600 -0.052 0.000 1.325 628 M HN 0.416 nan 8.290 nan 0.000 0.403 629 Q N -0.024 119.754 119.800 -0.036 0.000 2.135 629 Q HA -0.128 4.228 4.340 0.027 0.000 0.204 629 Q C 2.035 177.964 176.000 -0.119 0.000 0.981 629 Q CA 1.160 56.959 55.803 -0.006 0.000 0.856 629 Q CB -0.308 28.446 28.738 0.027 0.000 0.902 629 Q HN 0.534 nan 8.270 nan 0.000 0.425 630 L N 0.143 121.177 121.223 -0.315 0.000 2.552 630 L HA -0.041 4.315 4.340 0.027 0.000 0.227 630 L C 1.430 178.125 176.870 -0.291 0.000 1.146 630 L CA 0.308 54.741 54.840 -0.679 0.000 0.858 630 L CB 0.009 41.760 42.059 -0.515 0.000 0.969 630 L HN 0.184 nan 8.230 nan 0.000 0.451 631 L N -0.805 120.358 121.223 -0.099 0.000 2.640 631 L HA 0.141 4.497 4.340 0.027 0.000 0.230 631 L C 0.640 177.559 176.870 0.082 0.000 1.123 631 L CA -0.496 54.346 54.840 0.004 0.000 0.900 631 L CB -0.410 41.653 42.059 0.007 0.000 1.146 631 L HN 0.244 nan 8.230 nan 0.000 0.484 632 D N -0.368 120.056 120.400 0.039 0.000 2.425 632 D HA -0.045 4.611 4.640 0.027 0.000 0.274 632 D C 1.384 177.411 176.300 -0.455 0.000 1.242 632 D CA -0.225 53.637 54.000 -0.229 0.000 1.060 632 D CB 0.272 40.951 40.800 -0.202 0.000 1.112 632 D HN 0.150 nan 8.370 nan 0.000 0.561 633 C N -1.866 116.861 119.300 -0.956 0.000 2.539 633 C HA 0.258 4.734 4.460 0.027 0.000 0.271 633 C C 1.183 175.911 174.990 -0.437 0.000 1.412 633 C CA -0.344 58.195 59.018 -0.798 0.000 1.729 633 C CB -2.027 25.178 27.740 -0.892 0.000 1.739 633 C HN 0.478 nan 8.230 nan 0.000 0.570 634 N N -0.608 117.845 118.700 -0.411 0.000 2.373 634 N HA 0.233 4.989 4.740 0.027 0.000 0.181 634 N C -0.587 174.406 175.510 -0.860 0.000 1.082 634 N CA 0.319 53.008 53.050 -0.602 0.000 0.885 634 N CB 0.105 38.185 38.487 -0.679 0.000 0.977 634 N HN 0.490 nan 8.380 nan 0.000 0.462 635 F N -0.366 119.447 119.950 -0.228 0.000 2.449 635 F HA 0.424 4.966 4.527 0.025 0.000 0.342 635 F C 0.774 176.367 175.800 -0.346 0.000 1.127 635 F CA -0.884 56.964 58.000 -0.253 0.000 0.975 635 F CB 2.024 40.933 39.000 -0.153 0.000 1.146 635 F HN -0.213 nan 8.300 nan 0.000 0.444 636 S N 0.991 116.434 115.700 -0.429 0.000 2.937 636 S HA 0.027 4.513 4.470 0.027 0.000 0.252 636 S C -0.680 173.613 174.600 -0.512 0.000 1.022 636 S CA -0.326 57.562 58.200 -0.520 0.000 1.079 636 S CB -0.207 62.536 63.200 -0.762 0.000 1.035 636 S HN 0.690 nan 8.310 nan 0.000 0.594 637 D N 1.737 121.893 120.400 -0.408 0.000 2.454 637 D HA 0.357 5.013 4.640 0.027 0.000 0.225 637 D C 1.348 177.590 176.300 -0.096 0.000 1.081 637 D CA 0.637 54.489 54.000 -0.247 0.000 0.864 637 D CB 1.547 42.115 40.800 -0.387 0.000 1.040 637 D HN 0.340 nan 8.370 nan 0.000 0.517 638 E N 4.069 124.254 120.200 -0.025 0.000 2.276 638 E HA -0.385 3.981 4.350 0.027 0.000 0.226 638 E C 1.513 178.079 176.600 -0.057 0.000 1.090 638 E CA 2.504 58.903 56.400 -0.001 0.000 0.930 638 E CB -1.183 28.560 29.700 0.072 0.000 0.791 638 E HN 0.692 nan 8.360 nan 0.000 0.467 639 N N -0.741 117.903 118.700 -0.094 0.000 2.142 639 N HA -0.028 4.728 4.740 0.027 0.000 0.186 639 N C 1.913 177.273 175.510 -0.251 0.000 1.023 639 N CA 1.412 54.330 53.050 -0.220 0.000 0.852 639 N CB -0.056 38.145 38.487 -0.477 0.000 0.998 639 N HN 0.364 nan 8.380 nan 0.000 0.424 640 V N 1.196 120.957 119.914 -0.256 0.000 2.216 640 V HA -0.249 3.887 4.120 0.027 0.000 0.243 640 V C 2.129 178.028 176.094 -0.325 0.000 1.044 640 V CA 1.628 63.684 62.300 -0.406 0.000 0.995 640 V CB -0.535 31.080 31.823 -0.347 0.000 0.633 640 V HN 0.305 nan 8.190 nan 0.000 0.446 641 R N 0.304 120.673 120.500 -0.219 0.000 2.196 641 R HA -0.315 4.041 4.340 0.027 0.000 0.259 641 R C 2.299 178.524 176.300 -0.126 0.000 1.154 641 R CA 1.873 57.881 56.100 -0.154 0.000 0.976 641 R CB -0.955 29.287 30.300 -0.097 0.000 0.888 641 R HN 0.590 nan 8.270 nan 0.000 0.453 642 A N 1.697 124.447 122.820 -0.116 0.000 1.972 642 A HA -0.137 4.199 4.320 0.027 0.000 0.219 642 A C 2.196 179.741 177.584 -0.066 0.000 1.169 642 A CA 1.562 53.550 52.037 -0.081 0.000 0.635 642 A CB -0.663 18.295 19.000 -0.070 0.000 0.810 642 A HN 0.551 nan 8.150 nan 0.000 0.446 643 I N -3.573 116.931 120.570 -0.110 0.000 2.617 643 I HA 0.082 4.268 4.170 0.027 0.000 0.256 643 I C 2.213 178.435 176.117 0.175 0.000 1.167 643 I CA 1.185 62.477 61.300 -0.013 0.000 1.469 643 I CB -0.419 37.393 38.000 -0.314 0.000 1.098 643 I HN 0.164 nan 8.210 nan 0.000 0.436 644 A N 1.726 124.564 122.820 0.030 0.000 1.898 644 A HA -0.039 4.297 4.320 0.027 0.000 0.216 644 A C 2.369 179.945 177.584 -0.013 0.000 1.181 644 A CA 1.846 53.940 52.037 0.095 0.000 0.620 644 A CB -0.987 17.989 19.000 -0.041 0.000 0.819 644 A HN 0.330 nan 8.150 nan 0.000 0.442 645 V N 0.765 120.621 119.914 -0.097 0.000 2.427 645 V HA -0.305 3.831 4.120 0.027 0.000 0.248 645 V C 2.724 178.682 176.094 -0.227 0.000 1.051 645 V CA 2.137 64.293 62.300 -0.240 0.000 1.048 645 V CB -0.901 30.795 31.823 -0.212 0.000 0.666 645 V HN 0.836 nan 8.190 nan 0.000 0.456 646 Q N 0.252 120.014 119.800 -0.064 0.000 2.234 646 Q HA -0.308 4.048 4.340 0.027 0.000 0.206 646 Q C 2.079 178.053 176.000 -0.044 0.000 0.980 646 Q CA 1.910 57.704 55.803 -0.015 0.000 0.869 646 Q CB -0.044 28.741 28.738 0.078 0.000 0.912 646 Q HN 0.486 nan 8.270 nan 0.000 0.436 647 K N 0.241 120.607 120.400 -0.057 0.000 2.243 647 K HA 0.107 4.443 4.320 0.027 0.000 0.201 647 K C 1.853 178.357 176.600 -0.159 0.000 1.051 647 K CA 0.467 56.676 56.287 -0.130 0.000 0.970 647 K CB 0.073 32.478 32.500 -0.159 0.000 0.755 647 K HN 0.243 nan 8.250 nan 0.000 0.465 648 L N 0.888 121.967 121.223 -0.240 0.000 2.362 648 L HA -0.094 4.262 4.340 0.027 0.000 0.219 648 L C 1.610 178.410 176.870 -0.116 0.000 1.134 648 L CA 0.729 55.385 54.840 -0.306 0.000 0.807 648 L CB -0.317 41.309 42.059 -0.722 0.000 0.927 648 L HN 0.194 nan 8.230 nan 0.000 0.447 649 E N 0.299 120.460 120.200 -0.065 0.000 2.150 649 E HA -0.129 4.237 4.350 0.027 0.000 0.193 649 E C 1.936 178.621 176.600 0.142 0.000 0.985 649 E CA 1.363 57.865 56.400 0.170 0.000 0.814 649 E CB -0.029 29.735 29.700 0.105 0.000 0.752 649 E HN 0.486 nan 8.360 nan 0.000 0.466 650 S N 0.325 116.055 115.700 0.050 0.000 2.763 650 S HA 0.182 4.668 4.470 0.027 0.000 0.237 650 S C 0.619 175.246 174.600 0.044 0.000 0.966 650 S CA -0.242 57.977 58.200 0.030 0.000 1.017 650 S CB -0.508 62.678 63.200 -0.024 0.000 0.780 650 S HN 0.006 nan 8.310 nan 0.000 0.476 651 L N 2.774 124.057 121.223 0.099 0.000 2.295 651 L HA 0.418 4.774 4.340 0.027 0.000 0.285 651 L C 0.665 177.612 176.870 0.128 0.000 1.035 651 L CA -0.744 54.165 54.840 0.116 0.000 0.806 651 L CB 1.211 43.377 42.059 0.177 0.000 1.214 651 L HN 0.453 nan 8.230 nan 0.000 0.426 652 E N 1.085 121.350 120.200 0.109 0.000 2.392 652 E HA 0.018 4.384 4.350 0.027 0.000 0.256 652 E C -0.425 176.257 176.600 0.138 0.000 1.145 652 E CA -0.549 55.916 56.400 0.108 0.000 0.929 652 E CB 0.872 30.628 29.700 0.092 0.000 0.998 652 E HN 0.562 nan 8.360 nan 0.000 0.442 653 D N 0.754 121.229 120.400 0.125 0.000 2.182 653 D HA -0.188 4.468 4.640 0.027 0.000 0.201 653 D C 1.158 177.561 176.300 0.171 0.000 0.986 653 D CA 1.446 55.521 54.000 0.124 0.000 0.847 653 D CB -0.080 40.777 40.800 0.096 0.000 0.942 653 D HN 0.533 nan 8.370 nan 0.000 0.467 654 D N 0.259 120.794 120.400 0.226 0.000 2.133 654 D HA -0.164 4.492 4.640 0.027 0.000 0.195 654 D C 1.351 177.879 176.300 0.379 0.000 0.997 654 D CA 1.067 55.263 54.000 0.327 0.000 0.840 654 D CB -0.005 40.987 40.800 0.320 0.000 0.947 654 D HN 0.120 nan 8.370 nan 0.000 0.452 655 D N -1.039 119.553 120.400 0.320 0.000 2.271 655 D HA -0.019 4.637 4.640 0.027 0.000 0.206 655 D C 2.178 178.734 176.300 0.425 0.000 0.967 655 D CA 0.133 54.358 54.000 0.376 0.000 0.867 655 D CB 0.273 41.243 40.800 0.283 0.000 0.960 655 D HN 0.118 nan 8.370 nan 0.000 0.509 656 V N 1.246 121.346 119.914 0.310 0.000 2.490 656 V HA -0.195 3.941 4.120 0.027 0.000 0.250 656 V C 2.534 178.761 176.094 0.221 0.000 1.061 656 V CA 1.077 63.545 62.300 0.280 0.000 1.064 656 V CB -0.313 31.614 31.823 0.174 0.000 0.670 656 V HN 0.184 nan 8.190 nan 0.000 0.461 657 L N -1.137 120.170 121.223 0.139 0.000 2.156 657 L HA -0.119 4.237 4.340 0.027 0.000 0.208 657 L C 2.441 179.269 176.870 -0.070 0.000 1.095 657 L CA 1.271 56.117 54.840 0.010 0.000 0.770 657 L CB -0.607 41.385 42.059 -0.111 0.000 0.914 657 L HN 0.371 nan 8.230 nan 0.000 0.439 658 H N -1.839 117.170 119.070 -0.101 0.000 2.421 658 H HA -0.140 4.432 4.556 0.027 0.000 0.298 658 H C 0.978 176.049 175.328 -0.428 0.000 1.087 658 H CA 1.865 57.703 56.048 -0.350 0.000 1.330 658 H CB 0.124 29.505 29.762 -0.636 0.000 1.388 658 H HN 0.331 nan 8.280 nan 0.000 0.526 659 Y N -2.011 118.370 120.300 0.136 0.000 2.471 659 Y HA 0.087 4.653 4.550 0.027 0.000 0.249 659 Y C 1.622 177.561 175.900 0.066 0.000 1.116 659 Y CA -0.372 57.774 58.100 0.076 0.000 1.240 659 Y CB 0.408 38.918 38.460 0.085 0.000 1.251 659 Y HN 0.046 nan 8.280 nan 0.000 0.527 660 L N 0.447 121.807 121.223 0.228 0.000 2.021 660 L HA -0.251 4.106 4.340 0.027 0.000 0.215 660 L C 2.147 179.109 176.870 0.154 0.000 1.074 660 L CA 1.727 56.707 54.840 0.234 0.000 0.760 660 L CB -0.713 41.532 42.059 0.310 0.000 0.889 660 L HN 0.320 nan 8.230 nan 0.000 0.433 661 L N -0.827 120.365 121.223 -0.052 0.000 2.042 661 L HA -0.239 4.117 4.340 0.027 0.000 0.210 661 L C 2.476 179.236 176.870 -0.183 0.000 1.076 661 L CA 1.799 56.403 54.840 -0.394 0.000 0.749 661 L CB -0.887 40.741 42.059 -0.718 0.000 0.893 661 L HN 0.396 nan 8.230 nan 0.000 0.432 662 Q N -0.805 118.955 119.800 -0.066 0.000 2.079 662 Q HA -0.053 4.303 4.340 0.027 0.000 0.200 662 Q C 2.055 178.071 176.000 0.027 0.000 0.974 662 Q CA 1.617 57.415 55.803 -0.007 0.000 0.840 662 Q CB -0.213 28.569 28.738 0.074 0.000 0.898 662 Q HN 0.552 nan 8.270 nan 0.000 0.430 663 L N -0.768 120.502 121.223 0.079 0.000 2.554 663 L HA 0.011 4.367 4.340 0.027 0.000 0.226 663 L C 1.597 178.524 176.870 0.095 0.000 1.137 663 L CA 0.021 54.921 54.840 0.101 0.000 0.863 663 L CB 0.049 42.209 42.059 0.168 0.000 0.985 663 L HN 0.065 nan 8.230 nan 0.000 0.451 664 V N -0.862 119.095 119.914 0.071 0.000 2.599 664 V HA -0.113 4.023 4.120 0.027 0.000 0.245 664 V C 2.338 178.448 176.094 0.028 0.000 1.046 664 V CA 1.043 63.391 62.300 0.080 0.000 1.065 664 V CB -0.171 31.694 31.823 0.070 0.000 0.703 664 V HN 0.407 nan 8.190 nan 0.000 0.464 665 Q N 0.268 120.025 119.800 -0.071 0.000 2.297 665 Q HA 0.049 4.405 4.340 0.027 0.000 0.204 665 Q C 2.166 178.017 176.000 -0.249 0.000 0.962 665 Q CA 1.377 57.081 55.803 -0.165 0.000 0.879 665 Q CB -0.419 28.207 28.738 -0.187 0.000 0.947 665 Q HN 0.616 nan 8.270 nan 0.000 0.462 666 A N 0.229 122.983 122.820 -0.111 0.000 2.235 666 A HA 0.050 4.386 4.320 0.027 0.000 0.208 666 A C 1.885 179.402 177.584 -0.112 0.000 1.172 666 A CA 0.275 52.281 52.037 -0.052 0.000 0.786 666 A CB -0.027 19.023 19.000 0.083 0.000 0.804 666 A HN 0.142 nan 8.150 nan 0.000 0.479 667 V N -0.282 119.529 119.914 -0.172 0.000 3.541 667 V HA -0.060 4.076 4.120 0.027 0.000 0.267 667 V C 1.818 177.659 176.094 -0.422 0.000 1.213 667 V CA 1.272 63.454 62.300 -0.198 0.000 1.149 667 V CB -0.425 31.326 31.823 -0.119 0.000 0.822 667 V HN 0.528 nan 8.190 nan 0.000 0.462 668 K N -0.472 119.523 120.400 -0.675 0.000 2.426 668 K HA 0.148 4.484 4.320 0.027 0.000 0.193 668 K C 1.202 177.421 176.600 -0.634 0.000 1.028 668 K CA 0.869 56.522 56.287 -1.055 0.000 1.047 668 K CB 0.066 31.779 32.500 -1.312 0.000 0.821 668 K HN 0.483 nan 8.250 nan 0.000 0.513 669 F N 1.117 120.943 119.950 -0.206 0.000 2.678 669 F HA 0.139 4.683 4.527 0.029 0.000 0.305 669 F C 0.591 176.296 175.800 -0.158 0.000 1.090 669 F CA -0.655 57.255 58.000 -0.151 0.000 1.272 669 F CB 0.572 39.499 39.000 -0.121 0.000 1.060 669 F HN -0.185 nan 8.300 nan 0.000 0.576 670 E N 1.952 122.130 120.200 -0.036 0.000 2.360 670 E HA 0.043 4.409 4.350 0.027 0.000 0.269 670 E C -1.674 174.824 176.600 -0.169 0.000 1.022 670 E CA -1.286 55.060 56.400 -0.090 0.000 0.887 670 E CB 0.798 30.444 29.700 -0.089 0.000 0.990 670 E HN 0.084 nan 8.360 nan 0.000 0.426 671 P HA -0.010 nan 4.420 nan 0.000 0.219 671 P C -0.419 176.457 177.300 -0.706 0.000 1.154 671 P CA 1.003 63.788 63.100 -0.523 0.000 0.826 671 P CB 0.239 31.521 31.700 -0.697 0.000 0.795 672 Y N -1.870 118.321 120.300 -0.182 0.000 2.429 672 Y HA 0.272 4.838 4.550 0.027 0.000 0.342 672 Y C 2.016 177.803 175.900 -0.189 0.000 1.004 672 Y CA -0.934 57.037 58.100 -0.216 0.000 1.075 672 Y CB 0.931 39.328 38.460 -0.106 0.000 1.214 672 Y HN -0.104 nan 8.280 nan 0.000 0.455 673 H N -0.103 119.027 119.070 0.101 0.000 2.254 673 H HA -0.177 4.395 4.556 0.027 0.000 0.294 673 H C 0.264 175.597 175.328 0.008 0.000 1.071 673 H CA 1.634 57.684 56.048 0.004 0.000 1.228 673 H CB -0.200 29.549 29.762 -0.022 0.000 1.358 673 H HN 0.612 nan 8.280 nan 0.000 0.495 674 D N 1.703 122.203 120.400 0.166 0.000 2.412 674 D HA 0.042 4.698 4.640 0.027 0.000 0.257 674 D C -0.252 176.104 176.300 0.094 0.000 1.217 674 D CA 0.279 54.335 54.000 0.093 0.000 0.897 674 D CB 0.338 41.176 40.800 0.064 0.000 1.132 674 D HN 0.347 nan 8.370 nan 0.000 0.493 675 S N 1.581 117.322 115.700 0.068 0.000 2.651 675 S HA 0.673 5.159 4.470 0.027 0.000 0.279 675 S C 0.705 175.339 174.600 0.057 0.000 1.148 675 S CA -0.410 57.827 58.200 0.061 0.000 0.837 675 S CB 1.435 64.659 63.200 0.039 0.000 1.138 675 S HN 0.281 nan 8.310 nan 0.000 0.478 676 A N 0.071 122.921 122.820 0.049 0.000 2.014 676 A HA 0.116 4.452 4.320 0.027 0.000 0.218 676 A C 1.853 179.487 177.584 0.084 0.000 1.163 676 A CA 1.142 53.213 52.037 0.057 0.000 0.652 676 A CB -0.797 18.221 19.000 0.029 0.000 0.808 676 A HN 0.817 nan 8.150 nan 0.000 0.449 677 L N -0.077 121.183 121.223 0.062 0.000 2.005 677 L HA -0.007 4.349 4.340 0.027 0.000 0.207 677 L C 2.686 179.649 176.870 0.156 0.000 1.072 677 L CA 2.182 57.078 54.840 0.094 0.000 0.744 677 L CB -0.948 41.139 42.059 0.047 0.000 0.895 677 L HN 0.321 nan 8.230 nan 0.000 0.433 678 A N -0.358 122.519 122.820 0.095 0.000 1.958 678 A HA -0.287 4.049 4.320 0.027 0.000 0.221 678 A C 2.411 180.057 177.584 0.102 0.000 1.178 678 A CA 2.225 54.313 52.037 0.084 0.000 0.642 678 A CB -0.666 18.362 19.000 0.047 0.000 0.816 678 A HN 0.547 nan 8.150 nan 0.000 0.453 679 R N -2.571 117.998 120.500 0.115 0.000 2.276 679 R HA 0.089 4.445 4.340 0.027 0.000 0.203 679 R C 1.632 178.021 176.300 0.148 0.000 1.017 679 R CA 0.867 57.031 56.100 0.106 0.000 1.010 679 R CB -0.197 30.158 30.300 0.091 0.000 0.900 679 R HN 0.657 nan 8.270 nan 0.000 0.469 680 F N 0.385 120.354 119.950 0.031 0.000 2.317 680 F HA 0.098 4.642 4.527 0.028 0.000 0.290 680 F C 1.533 177.357 175.800 0.041 0.000 1.075 680 F CA 0.733 58.754 58.000 0.035 0.000 1.380 680 F CB 0.052 39.071 39.000 0.031 0.000 1.093 680 F HN -0.165 nan 8.300 nan 0.000 0.524 681 L N -0.123 121.127 121.223 0.045 0.000 2.017 681 L HA -0.197 4.159 4.340 0.027 0.000 0.208 681 L C 2.412 179.224 176.870 -0.096 0.000 1.073 681 L CA 1.073 55.879 54.840 -0.056 0.000 0.745 681 L CB -0.924 41.175 42.059 0.066 0.000 0.894 681 L HN 0.271 nan 8.230 nan 0.000 0.432 682 L N -0.101 121.112 121.223 -0.017 0.000 2.046 682 L HA -0.201 4.155 4.340 0.027 0.000 0.208 682 L C 2.461 179.333 176.870 0.002 0.000 1.077 682 L CA 1.812 56.666 54.840 0.023 0.000 0.747 682 L CB -0.521 41.573 42.059 0.058 0.000 0.896 682 L HN 0.084 nan 8.230 nan 0.000 0.432 683 K N -0.948 119.421 120.400 -0.050 0.000 1.963 683 K HA -0.152 4.184 4.320 0.027 0.000 0.216 683 K C 2.130 178.666 176.600 -0.106 0.000 1.045 683 K CA 1.497 57.747 56.287 -0.061 0.000 0.954 683 K CB -0.223 32.240 32.500 -0.062 0.000 0.732 683 K HN 0.144 nan 8.250 nan 0.000 0.442 684 R N 0.015 120.355 120.500 -0.266 0.000 2.133 684 R HA -0.143 4.213 4.340 0.027 0.000 0.247 684 R C 2.264 178.500 176.300 -0.108 0.000 1.151 684 R CA 1.647 57.594 56.100 -0.255 0.000 0.971 684 R CB -1.239 28.749 30.300 -0.520 0.000 0.866 684 R HN 0.490 nan 8.270 nan 0.000 0.447 685 G N 0.257 109.004 108.800 -0.089 0.000 2.403 685 G HA2 -0.143 3.833 3.960 0.027 0.000 0.216 685 G HA3 -0.143 3.833 3.960 0.027 0.000 0.216 685 G C 1.536 176.543 174.900 0.179 0.000 1.154 685 G CA 0.017 45.093 45.100 -0.039 0.000 0.784 685 G HN 0.235 nan 8.290 nan 0.000 0.538 686 L N -0.123 121.234 121.223 0.223 0.000 2.465 686 L HA 0.157 4.513 4.340 0.027 0.000 0.224 686 L C 2.716 179.626 176.870 0.067 0.000 1.145 686 L CA 0.350 55.330 54.840 0.234 0.000 0.834 686 L CB -0.037 42.087 42.059 0.110 0.000 0.944 686 L HN 0.188 nan 8.230 nan 0.000 0.451 687 R N -0.318 120.219 120.500 0.061 0.000 2.223 687 R HA 0.017 4.373 4.340 0.027 0.000 0.198 687 R C 0.459 176.863 176.300 0.173 0.000 0.984 687 R CA 0.267 56.380 56.100 0.021 0.000 1.018 687 R CB 0.409 30.710 30.300 0.002 0.000 0.945 687 R HN 0.182 nan 8.270 nan 0.000 0.479 688 N N 0.367 119.207 118.700 0.233 0.000 2.249 688 N HA 0.123 4.879 4.740 0.027 0.000 0.296 688 N C -0.543 175.107 175.510 0.233 0.000 1.051 688 N CA -0.352 52.842 53.050 0.241 0.000 0.815 688 N CB 2.108 40.666 38.487 0.119 0.000 1.487 688 N HN -0.096 nan 8.380 nan 0.000 0.475 689 K N 1.440 121.900 120.400 0.100 0.000 2.296 689 K HA 0.038 4.374 4.320 0.027 0.000 0.200 689 K C 1.557 178.096 176.600 -0.102 0.000 1.048 689 K CA 0.493 56.743 56.287 -0.061 0.000 0.966 689 K CB 0.510 32.768 32.500 -0.404 0.000 0.754 689 K HN 0.470 nan 8.250 nan 0.000 0.466 690 R N 1.316 121.738 120.500 -0.131 0.000 2.056 690 R HA -0.001 4.355 4.340 0.027 0.000 0.220 690 R C 2.130 178.398 176.300 -0.053 0.000 1.187 690 R CA 1.020 57.008 56.100 -0.186 0.000 0.932 690 R CB -0.386 29.769 30.300 -0.241 0.000 0.821 690 R HN -0.018 nan 8.270 nan 0.000 0.449 691 I N 0.746 121.319 120.570 0.006 0.000 2.237 691 I HA -0.411 3.775 4.170 0.027 0.000 0.245 691 I C 2.317 178.406 176.117 -0.047 0.000 1.013 691 I CA 1.823 63.139 61.300 0.026 0.000 1.298 691 I CB -0.828 37.172 38.000 0.001 0.000 0.995 691 I HN 0.627 nan 8.210 nan 0.000 0.422 692 G N -0.539 108.250 108.800 -0.017 0.000 2.545 692 G HA2 -0.387 3.589 3.960 0.027 0.000 0.217 692 G HA3 -0.387 3.589 3.960 0.027 0.000 0.217 692 G C 1.343 176.197 174.900 -0.078 0.000 1.218 692 G CA 1.541 46.606 45.100 -0.059 0.000 0.787 692 G HN 0.547 nan 8.290 nan 0.000 0.571 693 H N 0.101 119.155 119.070 -0.028 0.000 2.289 693 H HA -0.117 4.455 4.556 0.027 0.000 0.294 693 H C 2.252 177.465 175.328 -0.191 0.000 1.095 693 H CA 2.198 58.231 56.048 -0.024 0.000 1.256 693 H CB -0.416 29.169 29.762 -0.295 0.000 1.359 693 H HN 0.393 nan 8.280 nan 0.000 0.487 694 F N -0.871 119.009 119.950 -0.118 0.000 2.502 694 F HA -0.046 4.497 4.527 0.027 0.000 0.298 694 F C 2.179 177.448 175.800 -0.885 0.000 1.111 694 F CA 0.172 57.811 58.000 -0.602 0.000 1.445 694 F CB -0.008 38.573 39.000 -0.699 0.000 1.081 694 F HN 0.243 nan 8.300 nan 0.000 0.558 695 L N -0.373 120.629 121.223 -0.369 0.000 2.044 695 L HA -0.135 4.221 4.340 0.027 0.000 0.205 695 L C 2.169 178.820 176.870 -0.366 0.000 1.075 695 L CA 1.533 56.172 54.840 -0.335 0.000 0.747 695 L CB -1.173 40.651 42.059 -0.393 0.000 0.903 695 L HN 0.150 nan 8.230 nan 0.000 0.435 696 F N -0.528 119.044 119.950 -0.631 0.000 2.043 696 F HA -0.313 4.230 4.527 0.027 0.000 0.297 696 F C 1.893 177.292 175.800 -0.668 0.000 1.118 696 F CA 2.346 59.897 58.000 -0.749 0.000 1.202 696 F CB -0.692 37.579 39.000 -1.215 0.000 0.965 696 F HN 0.152 nan 8.300 nan 0.000 0.482 697 W N -0.737 120.328 121.300 -0.392 0.000 2.467 697 W HA -0.038 4.637 4.660 0.026 0.000 0.275 697 W C 2.348 178.783 176.519 -0.141 0.000 1.239 697 W CA 0.865 58.021 57.345 -0.316 0.000 1.266 697 W CB -0.713 28.645 29.460 -0.170 0.000 1.112 697 W HN 0.003 nan 8.180 nan 0.000 0.576 698 F N -0.792 119.145 119.950 -0.022 0.000 2.407 698 F HA -0.092 4.451 4.527 0.027 0.000 0.299 698 F C 2.004 177.637 175.800 -0.278 0.000 1.097 698 F CA 0.347 58.283 58.000 -0.107 0.000 1.422 698 F CB -0.320 38.629 39.000 -0.085 0.000 1.067 698 F HN -0.162 nan 8.300 nan 0.000 0.539 699 L N -0.271 120.845 121.223 -0.179 0.000 2.168 699 L HA -0.038 4.318 4.340 0.027 0.000 0.203 699 L C 2.541 179.170 176.870 -0.401 0.000 1.078 699 L CA 0.685 55.319 54.840 -0.344 0.000 0.780 699 L CB -0.379 41.511 42.059 -0.282 0.000 0.939 699 L HN 0.002 nan 8.230 nan 0.000 0.451 700 R N -0.172 120.023 120.500 -0.508 0.000 2.152 700 R HA -0.169 4.187 4.340 0.027 0.000 0.232 700 R C 2.419 178.562 176.300 -0.261 0.000 1.117 700 R CA 1.469 57.259 56.100 -0.517 0.000 0.981 700 R CB -0.080 29.657 30.300 -0.939 0.000 0.870 700 R HN 0.244 nan 8.270 nan 0.000 0.451 701 S N -0.290 115.311 115.700 -0.165 0.000 2.447 701 S HA -0.059 4.427 4.470 0.027 0.000 0.233 701 S C 1.357 175.871 174.600 -0.143 0.000 1.006 701 S CA 0.868 59.024 58.200 -0.073 0.000 0.957 701 S CB 0.059 63.264 63.200 0.008 0.000 0.773 701 S HN 0.371 nan 8.310 nan 0.000 0.507 702 E N 0.761 120.801 120.200 -0.267 0.000 2.206 702 E HA 0.227 4.593 4.350 0.027 0.000 0.195 702 E C 2.014 178.517 176.600 -0.163 0.000 0.935 702 E CA 0.415 56.629 56.400 -0.310 0.000 0.875 702 E CB -0.422 28.812 29.700 -0.776 0.000 0.841 702 E HN 0.530 nan 8.360 nan 0.000 0.477 703 I N 1.605 122.070 120.570 -0.174 0.000 2.381 703 I HA -0.287 3.899 4.170 0.027 0.000 0.255 703 I C 2.179 178.285 176.117 -0.018 0.000 1.140 703 I CA 1.370 62.634 61.300 -0.060 0.000 1.404 703 I CB -0.104 37.840 38.000 -0.093 0.000 1.075 703 I HN 0.008 nan 8.210 nan 0.000 0.433 704 A N -0.262 122.536 122.820 -0.036 0.000 2.115 704 A HA -0.010 4.327 4.320 0.027 0.000 0.211 704 A C 1.816 179.413 177.584 0.022 0.000 1.169 704 A CA 0.293 52.333 52.037 0.005 0.000 0.787 704 A CB 0.044 19.042 19.000 -0.003 0.000 0.858 704 A HN 0.561 nan 8.150 nan 0.000 0.474 705 Q N -1.409 118.395 119.800 0.007 0.000 2.127 705 Q HA 0.355 4.711 4.340 0.027 0.000 0.222 705 Q C -0.215 175.808 176.000 0.038 0.000 0.794 705 Q CA 0.073 55.889 55.803 0.020 0.000 1.010 705 Q CB 0.485 29.223 28.738 0.000 0.000 1.170 705 Q HN 0.219 nan 8.270 nan 0.000 0.479 706 S N 0.573 116.304 115.700 0.051 0.000 2.733 706 S HA 0.389 4.875 4.470 0.027 0.000 0.307 706 S C 0.225 174.881 174.600 0.093 0.000 1.127 706 S CA -0.561 57.700 58.200 0.101 0.000 1.097 706 S CB 0.812 64.094 63.200 0.136 0.000 1.003 706 S HN 0.278 nan 8.310 nan 0.000 0.477 707 R N 1.809 122.341 120.500 0.053 0.000 2.119 707 R HA 0.036 4.392 4.340 0.027 0.000 0.222 707 R C 1.176 177.381 176.300 -0.158 0.000 1.088 707 R CA 1.182 57.294 56.100 0.019 0.000 0.984 707 R CB -0.245 30.147 30.300 0.153 0.000 0.884 707 R HN 0.669 nan 8.270 nan 0.000 0.447 708 H N -1.560 117.216 119.070 -0.490 0.000 2.456 708 H HA -0.099 4.473 4.556 0.027 0.000 0.296 708 H C 0.599 175.500 175.328 -0.713 0.000 1.079 708 H CA 1.300 56.874 56.048 -0.790 0.000 1.322 708 H CB 0.027 29.193 29.762 -0.993 0.000 1.388 708 H HN 0.295 nan 8.280 nan 0.000 0.538 709 Y N -0.376 119.959 120.300 0.059 0.000 2.610 709 Y HA 0.024 4.590 4.550 0.027 0.000 0.254 709 Y C 2.065 178.032 175.900 0.113 0.000 1.110 709 Y CA -0.288 57.847 58.100 0.059 0.000 1.238 709 Y CB 0.484 39.054 38.460 0.184 0.000 1.322 709 Y HN 0.174 nan 8.280 nan 0.000 0.547 710 Q N 0.989 120.885 119.800 0.160 0.000 2.152 710 Q HA -0.276 4.080 4.340 0.027 0.000 0.206 710 Q C 1.073 176.910 176.000 -0.271 0.000 0.985 710 Q CA 2.264 58.067 55.803 0.000 0.000 0.863 710 Q CB -0.399 28.276 28.738 -0.104 0.000 0.904 710 Q HN 0.580 nan 8.270 nan 0.000 0.422 711 Q N 0.459 120.030 119.800 -0.382 0.000 2.123 711 Q HA -0.096 4.260 4.340 0.027 0.000 0.199 711 Q C 2.212 177.991 176.000 -0.369 0.000 0.966 711 Q CA 1.239 56.726 55.803 -0.527 0.000 0.845 711 Q CB -0.242 28.272 28.738 -0.373 0.000 0.907 711 Q HN 0.409 nan 8.270 nan 0.000 0.439 712 R N 0.556 120.881 120.500 -0.291 0.000 2.073 712 R HA -0.081 4.275 4.340 0.027 0.000 0.229 712 R C 1.834 177.979 176.300 -0.258 0.000 1.120 712 R CA 1.114 57.028 56.100 -0.310 0.000 0.967 712 R CB -0.087 30.128 30.300 -0.143 0.000 0.862 712 R HN 0.194 nan 8.270 nan 0.000 0.436 713 F N 0.512 120.410 119.950 -0.085 0.000 2.259 713 F HA 0.010 4.553 4.527 0.027 0.000 0.298 713 F C 2.532 178.258 175.800 -0.122 0.000 1.088 713 F CA 0.780 58.723 58.000 -0.094 0.000 1.358 713 F CB -0.209 38.731 39.000 -0.101 0.000 1.040 713 F HN 0.177 nan 8.300 nan 0.000 0.505 714 A N 0.054 122.878 122.820 0.006 0.000 1.902 714 A HA -0.136 4.200 4.320 0.027 0.000 0.217 714 A C 2.268 179.837 177.584 -0.025 0.000 1.181 714 A CA 1.788 53.805 52.037 -0.033 0.000 0.623 714 A CB -1.200 17.753 19.000 -0.078 0.000 0.818 714 A HN 0.163 nan 8.150 nan 0.000 0.443 715 V N 0.310 120.186 119.914 -0.064 0.000 2.568 715 V HA -0.258 3.878 4.120 0.027 0.000 0.253 715 V C 2.289 178.371 176.094 -0.019 0.000 1.072 715 V CA 1.875 64.143 62.300 -0.053 0.000 1.084 715 V CB -0.675 31.086 31.823 -0.103 0.000 0.676 715 V HN 0.562 nan 8.190 nan 0.000 0.469 716 I N -0.992 119.577 120.570 -0.002 0.000 2.400 716 I HA -0.113 4.073 4.170 0.027 0.000 0.248 716 I C 2.268 178.421 176.117 0.060 0.000 1.109 716 I CA 0.913 62.233 61.300 0.032 0.000 1.425 716 I CB -0.200 37.831 38.000 0.053 0.000 1.094 716 I HN 0.319 nan 8.210 nan 0.000 0.425 717 L N 1.276 122.524 121.223 0.040 0.000 2.072 717 L HA -0.163 4.193 4.340 0.027 0.000 0.205 717 L C 2.476 179.391 176.870 0.075 0.000 1.079 717 L CA 1.818 56.685 54.840 0.046 0.000 0.752 717 L CB -0.785 41.230 42.059 -0.072 0.000 0.906 717 L HN 0.242 nan 8.230 nan 0.000 0.436 718 E N -0.192 120.022 120.200 0.022 0.000 2.118 718 E HA -0.272 4.095 4.350 0.027 0.000 0.195 718 E C 1.947 178.561 176.600 0.023 0.000 0.992 718 E CA 1.302 57.702 56.400 0.001 0.000 0.804 718 E CB -0.117 29.570 29.700 -0.022 0.000 0.741 718 E HN 0.592 nan 8.360 nan 0.000 0.458 719 A N 0.406 123.253 122.820 0.046 0.000 1.933 719 A HA -0.195 4.142 4.320 0.027 0.000 0.218 719 A C 2.031 179.670 177.584 0.092 0.000 1.175 719 A CA 1.468 53.536 52.037 0.053 0.000 0.628 719 A CB -0.853 18.176 19.000 0.049 0.000 0.814 719 A HN 0.615 nan 8.150 nan 0.000 0.444 720 Y N 0.146 120.452 120.300 0.011 0.000 2.220 720 Y HA -0.016 4.550 4.550 0.027 0.000 0.291 720 Y C 1.826 177.761 175.900 0.058 0.000 1.129 720 Y CA 1.500 59.618 58.100 0.030 0.000 1.161 720 Y CB -0.385 38.090 38.460 0.025 0.000 0.997 720 Y HN 0.168 nan 8.280 nan 0.000 0.522 721 L N 0.378 121.536 121.223 -0.108 0.000 2.127 721 L HA -0.195 4.161 4.340 0.027 0.000 0.211 721 L C 2.157 178.956 176.870 -0.118 0.000 1.089 721 L CA 1.388 56.124 54.840 -0.173 0.000 0.757 721 L CB -0.381 41.667 42.059 -0.019 0.000 0.899 721 L HN 0.113 nan 8.230 nan 0.000 0.434 722 R N -0.384 120.086 120.500 -0.050 0.000 2.328 722 R HA 0.035 4.391 4.340 0.027 0.000 0.206 722 R C 1.161 177.460 176.300 -0.000 0.000 0.990 722 R CA 0.608 56.731 56.100 0.038 0.000 1.085 722 R CB -0.054 30.279 30.300 0.055 0.000 0.998 722 R HN 0.374 nan 8.270 nan 0.000 0.484 723 G N -0.844 107.896 108.800 -0.100 0.000 3.873 723 G HA2 -0.067 3.909 3.960 0.027 0.000 0.232 723 G HA3 -0.067 3.909 3.960 0.027 0.000 0.232 723 G C 0.949 175.758 174.900 -0.151 0.000 1.097 723 G CA -0.237 44.802 45.100 -0.102 0.000 0.889 723 G HN 0.397 nan 8.290 nan 0.000 0.532 724 C N -0.528 118.619 119.300 -0.255 0.000 2.514 724 C HA 0.613 5.089 4.460 0.027 0.000 0.271 724 C C 1.466 176.481 174.990 0.042 0.000 1.399 724 C CA -0.045 58.865 59.018 -0.179 0.000 1.765 724 C CB -0.913 26.573 27.740 -0.422 0.000 1.893 724 C HN 1.349 nan 8.230 nan 0.000 0.531 725 G N -0.386 108.416 108.800 0.004 0.000 2.539 725 G HA2 0.057 4.033 3.960 0.027 0.000 0.686 725 G HA3 0.057 4.033 3.960 0.027 0.000 0.686 725 G C -0.001 174.902 174.900 0.004 0.000 1.258 725 G CA -0.114 45.008 45.100 0.036 0.000 0.846 725 G HN 0.186 nan 8.290 nan 0.000 0.647 726 T N 0.993 115.546 114.554 -0.001 0.000 2.995 726 T HA 0.180 4.546 4.350 0.027 0.000 0.269 726 T C 2.730 177.418 174.700 -0.020 0.000 1.091 726 T CA 2.302 64.401 62.100 -0.001 0.000 1.128 726 T CB -0.216 68.638 68.868 -0.023 0.000 0.891 726 T HN 1.429 nan 8.240 nan 0.000 0.492 727 A N 1.951 124.741 122.820 -0.050 0.000 1.877 727 A HA -0.033 4.303 4.320 0.027 0.000 0.216 727 A C 2.253 179.767 177.584 -0.117 0.000 1.186 727 A CA 1.353 53.336 52.037 -0.089 0.000 0.620 727 A CB -0.483 18.456 19.000 -0.102 0.000 0.822 727 A HN 0.475 nan 8.150 nan 0.000 0.443 728 M N -0.748 118.738 119.600 -0.190 0.000 2.476 728 M HA 0.130 4.627 4.480 0.027 0.000 0.262 728 M C 1.906 177.919 176.300 -0.478 0.000 1.111 728 M CA 0.496 55.527 55.300 -0.449 0.000 1.127 728 M CB -0.460 31.831 32.600 -0.515 0.000 1.376 728 M HN 0.295 nan 8.290 nan 0.000 0.465 729 L N 0.074 121.213 121.223 -0.140 0.000 2.012 729 L HA -0.265 4.091 4.340 0.027 0.000 0.210 729 L C 2.928 179.789 176.870 -0.015 0.000 1.073 729 L CA 1.560 56.400 54.840 -0.001 0.000 0.748 729 L CB -1.306 40.807 42.059 0.089 0.000 0.891 729 L HN 0.447 nan 8.230 nan 0.000 0.431 730 H N 0.056 119.070 119.070 -0.094 0.000 2.422 730 H HA -0.200 4.372 4.556 0.027 0.000 0.298 730 H C 1.612 176.878 175.328 -0.103 0.000 1.098 730 H CA 1.867 57.873 56.048 -0.070 0.000 1.315 730 H CB 0.048 29.772 29.762 -0.064 0.000 1.382 730 H HN 0.402 nan 8.280 nan 0.000 0.523 731 D N -0.085 120.203 120.400 -0.186 0.000 2.120 731 D HA -0.090 4.566 4.640 0.027 0.000 0.202 731 D C 2.165 178.315 176.300 -0.250 0.000 0.972 731 D CA 0.716 54.552 54.000 -0.274 0.000 0.837 731 D CB -0.314 40.285 40.800 -0.335 0.000 0.989 731 D HN 0.396 nan 8.370 nan 0.000 0.469 732 F N 0.949 120.766 119.950 -0.222 0.000 2.365 732 F HA -0.106 4.437 4.527 0.027 0.000 0.300 732 F C 2.630 178.315 175.800 -0.191 0.000 1.090 732 F CA 0.504 58.291 58.000 -0.355 0.000 1.408 732 F CB -0.164 38.338 39.000 -0.831 0.000 1.060 732 F HN -0.126 nan 8.300 nan 0.000 0.534 733 T N -0.721 113.826 114.554 -0.011 0.000 2.867 733 T HA -0.181 4.185 4.350 0.027 0.000 0.268 733 T C 1.868 176.547 174.700 -0.035 0.000 1.057 733 T CA 1.168 63.256 62.100 -0.020 0.000 1.136 733 T CB -0.158 68.679 68.868 -0.052 0.000 0.874 733 T HN 0.343 nan 8.240 nan 0.000 0.466 734 Q N 0.259 120.005 119.800 -0.092 0.000 2.163 734 Q HA -0.006 4.350 4.340 0.027 0.000 0.198 734 Q C 2.502 178.516 176.000 0.023 0.000 0.954 734 Q CA 0.772 56.540 55.803 -0.059 0.000 0.851 734 Q CB 0.037 28.710 28.738 -0.108 0.000 0.928 734 Q HN 0.634 nan 8.270 nan 0.000 0.459 735 Q N -0.340 119.525 119.800 0.109 0.000 2.123 735 Q HA -0.089 4.267 4.340 0.027 0.000 0.199 735 Q C 2.083 178.216 176.000 0.221 0.000 0.966 735 Q CA 1.201 57.116 55.803 0.186 0.000 0.845 735 Q CB 0.083 29.093 28.738 0.453 0.000 0.907 735 Q HN 0.161 nan 8.270 nan 0.000 0.439 736 V N 1.234 121.290 119.914 0.236 0.000 2.453 736 V HA -0.231 3.905 4.120 0.027 0.000 0.247 736 V C 2.118 178.282 176.094 0.117 0.000 1.048 736 V CA 1.665 64.102 62.300 0.229 0.000 1.049 736 V CB -0.478 31.437 31.823 0.154 0.000 0.672 736 V HN 0.335 nan 8.190 nan 0.000 0.457 737 Q N -0.400 119.433 119.800 0.055 0.000 2.050 737 Q HA -0.180 4.176 4.340 0.027 0.000 0.202 737 Q C 2.353 178.347 176.000 -0.011 0.000 0.980 737 Q CA 2.007 57.821 55.803 0.019 0.000 0.840 737 Q CB -0.420 28.320 28.738 0.003 0.000 0.898 737 Q HN 0.518 nan 8.270 nan 0.000 0.424 738 V N 0.929 120.801 119.914 -0.069 0.000 2.219 738 V HA -0.299 3.837 4.120 0.027 0.000 0.248 738 V C 2.128 178.159 176.094 -0.105 0.000 1.053 738 V CA 1.829 64.025 62.300 -0.174 0.000 1.009 738 V CB -0.552 30.956 31.823 -0.526 0.000 0.636 738 V HN 0.316 nan 8.190 nan 0.000 0.445 739 I N -0.087 120.481 120.570 -0.005 0.000 2.300 739 I HA -0.286 3.900 4.170 0.027 0.000 0.252 739 I C 2.405 178.592 176.117 0.116 0.000 1.119 739 I CA 1.677 63.097 61.300 0.199 0.000 1.384 739 I CB -0.573 37.600 38.000 0.289 0.000 1.062 739 I HN 0.413 nan 8.210 nan 0.000 0.426 740 E N -0.468 119.772 120.200 0.066 0.000 2.072 740 E HA -0.188 4.178 4.350 0.027 0.000 0.190 740 E C 2.306 178.903 176.600 -0.005 0.000 0.982 740 E CA 1.105 57.533 56.400 0.047 0.000 0.803 740 E CB -0.025 29.700 29.700 0.042 0.000 0.755 740 E HN 0.404 nan 8.360 nan 0.000 0.453 741 M N -0.050 119.526 119.600 -0.041 0.000 2.077 741 M HA -0.136 4.360 4.480 0.027 0.000 0.261 741 M C 2.215 178.431 176.300 -0.140 0.000 1.070 741 M CA 1.314 56.573 55.300 -0.068 0.000 1.125 741 M CB -0.253 32.311 32.600 -0.060 0.000 1.339 741 M HN 0.114 nan 8.290 nan 0.000 0.409 742 L N 0.121 121.186 121.223 -0.264 0.000 2.265 742 L HA -0.233 4.123 4.340 0.027 0.000 0.215 742 L C 3.239 179.794 176.870 -0.525 0.000 1.117 742 L CA 1.384 55.891 54.840 -0.556 0.000 0.782 742 L CB -1.434 39.954 42.059 -1.118 0.000 0.914 742 L HN 0.479 nan 8.230 nan 0.000 0.441 743 Q N 0.905 120.564 119.800 -0.235 0.000 1.975 743 Q HA -0.300 4.056 4.340 0.027 0.000 0.205 743 Q C 2.627 178.600 176.000 -0.046 0.000 0.990 743 Q CA 2.938 58.728 55.803 -0.023 0.000 0.845 743 Q CB -1.228 27.559 28.738 0.082 0.000 0.913 743 Q HN 0.533 nan 8.270 nan 0.000 0.420 744 K N 0.019 120.390 120.400 -0.049 0.000 2.030 744 K HA -0.167 4.169 4.320 0.027 0.000 0.222 744 K C 2.509 179.075 176.600 -0.056 0.000 1.056 744 K CA 2.336 58.598 56.287 -0.042 0.000 0.957 744 K CB -1.717 30.760 32.500 -0.038 0.000 0.727 744 K HN 0.669 nan 8.250 nan 0.000 0.452 745 V N 1.548 121.414 119.914 -0.081 0.000 2.250 745 V HA -0.327 3.809 4.120 0.027 0.000 0.250 745 V C 2.814 178.877 176.094 -0.051 0.000 1.060 745 V CA 2.781 65.040 62.300 -0.068 0.000 1.030 745 V CB -1.115 30.657 31.823 -0.084 0.000 0.643 745 V HN 0.772 nan 8.190 nan 0.000 0.445 746 T N 0.544 115.065 114.554 -0.054 0.000 2.720 746 T HA -0.177 4.189 4.350 0.027 0.000 0.268 746 T C 1.825 176.506 174.700 -0.032 0.000 1.037 746 T CA 1.813 63.910 62.100 -0.005 0.000 1.144 746 T CB -0.364 68.543 68.868 0.065 0.000 0.864 746 T HN 0.341 nan 8.240 nan 0.000 0.444 747 L N 1.157 122.340 121.223 -0.066 0.000 1.976 747 L HA -0.142 4.214 4.340 0.027 0.000 0.209 747 L C 2.594 179.417 176.870 -0.078 0.000 1.071 747 L CA 1.462 56.227 54.840 -0.125 0.000 0.746 747 L CB -0.861 41.129 42.059 -0.116 0.000 0.890 747 L HN 0.157 nan 8.230 nan 0.000 0.432 748 D N 0.437 120.806 120.400 -0.051 0.000 2.172 748 D HA -0.207 4.450 4.640 0.027 0.000 0.196 748 D C 2.116 178.401 176.300 -0.025 0.000 0.999 748 D CA 1.369 55.349 54.000 -0.034 0.000 0.856 748 D CB -0.130 40.654 40.800 -0.027 0.000 0.934 748 D HN 0.277 nan 8.370 nan 0.000 0.453 749 I N 0.424 120.982 120.570 -0.020 0.000 2.716 749 I HA -0.107 4.079 4.170 0.027 0.000 0.259 749 I C 2.535 178.651 176.117 -0.002 0.000 1.172 749 I CA 0.767 62.064 61.300 -0.006 0.000 1.478 749 I CB -0.954 37.050 38.000 0.006 0.000 1.104 749 I HN 0.033 nan 8.210 nan 0.000 0.439 750 K N 0.371 120.763 120.400 -0.013 0.000 2.305 750 K HA 0.072 4.408 4.320 0.027 0.000 0.199 750 K C 1.763 178.355 176.600 -0.013 0.000 1.047 750 K CA 0.851 57.133 56.287 -0.008 0.000 0.976 750 K CB -0.837 31.651 32.500 -0.019 0.000 0.765 750 K HN 0.266 nan 8.250 nan 0.000 0.474 751 S N 0.729 116.415 115.700 -0.023 0.000 2.803 751 S HA 0.207 4.693 4.470 0.027 0.000 0.228 751 S C 0.588 175.183 174.600 -0.009 0.000 0.953 751 S CA 0.186 58.375 58.200 -0.018 0.000 0.983 751 S CB -0.033 63.151 63.200 -0.026 0.000 0.784 751 S HN 0.335 nan 8.310 nan 0.000 0.498 752 L N -0.277 120.944 121.223 -0.004 0.000 2.993 752 L HA 0.376 4.732 4.340 0.027 0.000 0.264 752 L C 0.324 177.196 176.870 0.003 0.000 1.154 752 L CA 0.504 55.343 54.840 -0.000 0.000 0.972 752 L CB 0.347 42.406 42.059 -0.000 0.000 1.373 752 L HN -0.030 nan 8.230 nan 0.000 0.564 753 S N 0.436 116.139 115.700 0.006 0.000 2.552 753 S HA 0.766 5.252 4.470 0.027 0.000 0.314 753 S C 0.100 174.707 174.600 0.011 0.000 1.099 753 S CA -0.713 57.493 58.200 0.009 0.000 1.070 753 S CB 1.704 64.913 63.200 0.014 0.000 0.998 753 S HN 0.179 nan 8.310 nan 0.000 0.474 754 A N 2.813 125.639 122.820 0.010 0.000 2.462 754 A HA 0.521 4.857 4.320 0.027 0.000 0.243 754 A C 1.420 179.013 177.584 0.015 0.000 1.076 754 A CA 0.352 52.397 52.037 0.012 0.000 0.773 754 A CB -0.360 18.646 19.000 0.010 0.000 1.010 754 A HN 1.036 nan 8.150 nan 0.000 0.493 755 E N 1.354 121.565 120.200 0.018 0.000 2.301 755 E HA -0.226 4.140 4.350 0.027 0.000 0.202 755 E C 1.895 178.505 176.600 0.015 0.000 1.017 755 E CA 2.970 59.382 56.400 0.021 0.000 0.831 755 E CB -1.136 28.579 29.700 0.024 0.000 0.742 755 E HN 1.105 nan 8.360 nan 0.000 0.491 756 K N -1.245 119.162 120.400 0.012 0.000 2.029 756 K HA 0.365 4.701 4.320 0.027 0.000 0.205 756 K C 1.859 178.463 176.600 0.008 0.000 1.042 756 K CA 0.924 57.216 56.287 0.008 0.000 0.949 756 K CB -1.398 31.106 32.500 0.008 0.000 0.740 756 K HN 1.219 nan 8.250 nan 0.000 0.442 757 Y N 1.997 122.302 120.300 0.009 0.000 2.861 757 Y HA 0.281 4.847 4.550 0.027 0.000 0.344 757 Y C 0.665 176.570 175.900 0.009 0.000 1.272 757 Y CA -0.118 57.987 58.100 0.008 0.000 1.502 757 Y CB -0.372 38.093 38.460 0.008 0.000 1.333 757 Y HN 0.579 nan 8.280 nan 0.000 0.634 758 D N 0.130 120.534 120.400 0.007 0.000 2.481 758 D HA 0.571 5.227 4.640 0.027 0.000 0.283 758 D C 0.220 176.525 176.300 0.008 0.000 1.192 758 D CA 0.766 54.771 54.000 0.007 0.000 1.100 758 D CB 0.331 41.134 40.800 0.004 0.000 1.166 758 D HN 0.977 nan 8.370 nan 0.000 0.584 759 V N -0.030 119.888 119.914 0.006 0.000 2.348 759 V HA 0.445 4.582 4.120 0.027 0.000 0.270 759 V C 0.385 176.480 176.094 0.003 0.000 1.037 759 V CA -0.287 62.016 62.300 0.006 0.000 0.872 759 V CB 0.852 32.677 31.823 0.004 0.000 1.002 759 V HN 0.266 nan 8.190 nan 0.000 0.464 760 S N 3.001 118.704 115.700 0.004 0.000 2.610 760 S HA 0.379 4.865 4.470 0.027 0.000 0.273 760 S C 1.352 175.952 174.600 0.001 0.000 1.274 760 S CA 0.449 58.651 58.200 0.002 0.000 1.023 760 S CB 1.600 64.802 63.200 0.003 0.000 0.962 760 S HN 0.996 nan 8.310 nan 0.000 0.523 761 S N 2.057 117.757 115.700 -0.000 0.000 2.486 761 S HA 0.078 4.564 4.470 0.027 0.000 0.220 761 S C 2.256 176.856 174.600 -0.000 0.000 1.011 761 S CA 1.045 59.244 58.200 -0.001 0.000 0.921 761 S CB -0.546 62.652 63.200 -0.003 0.000 0.785 761 S HN 0.863 nan 8.310 nan 0.000 0.517 762 Q N 0.193 119.993 119.800 0.000 0.000 2.436 762 Q HA 0.156 4.512 4.340 0.027 0.000 0.209 762 Q C 2.024 178.025 176.000 0.002 0.000 0.965 762 Q CA 1.415 57.218 55.803 0.001 0.000 0.910 762 Q CB -0.904 27.834 28.738 0.001 0.000 0.980 762 Q HN 0.523 nan 8.270 nan 0.000 0.491 763 V N -0.499 119.417 119.914 0.003 0.000 2.426 763 V HA -0.053 4.083 4.120 0.027 0.000 0.242 763 V C 2.172 178.270 176.094 0.006 0.000 1.036 763 V CA 1.062 63.365 62.300 0.005 0.000 1.044 763 V CB -0.013 31.814 31.823 0.008 0.000 0.688 763 V HN 0.630 nan 8.190 nan 0.000 0.462 764 I N 0.967 121.540 120.570 0.005 0.000 2.700 764 I HA -0.176 4.010 4.170 0.027 0.000 0.261 764 I C 2.418 178.537 176.117 0.003 0.000 1.219 764 I CA 1.732 63.035 61.300 0.005 0.000 1.463 764 I CB -0.145 37.855 38.000 -0.000 0.000 1.092 764 I HN 0.457 nan 8.210 nan 0.000 0.452 765 S N -1.031 114.671 115.700 0.002 0.000 2.439 765 S HA -0.031 4.455 4.470 0.027 0.000 0.224 765 S C 2.059 176.660 174.600 0.002 0.000 1.029 765 S CA 0.668 58.869 58.200 0.001 0.000 0.946 765 S CB -0.632 62.569 63.200 0.001 0.000 0.797 765 S HN 0.479 nan 8.310 nan 0.000 0.504 766 Q N 1.115 120.916 119.800 0.002 0.000 2.378 766 Q HA 0.483 4.839 4.340 0.027 0.000 0.205 766 Q C 2.477 178.478 176.000 0.001 0.000 0.954 766 Q CA 1.105 56.908 55.803 0.001 0.000 0.901 766 Q CB -1.682 27.056 28.738 0.000 0.000 0.981 766 Q HN 0.878 nan 8.270 nan 0.000 0.483 767 L N 0.253 121.479 121.223 0.004 0.000 1.993 767 L HA 0.247 4.603 4.340 0.027 0.000 0.206 767 L C 2.910 179.782 176.870 0.003 0.000 1.074 767 L CA 2.684 57.527 54.840 0.006 0.000 0.746 767 L CB -1.905 40.164 42.059 0.016 0.000 0.896 767 L HN 0.656 nan 8.230 nan 0.000 0.435 768 K N 0.008 120.410 120.400 0.003 0.000 2.442 768 K HA 0.078 4.414 4.320 0.027 0.000 0.198 768 K C 2.209 178.808 176.600 -0.001 0.000 1.044 768 K CA 2.180 58.467 56.287 0.000 0.000 0.948 768 K CB -1.598 30.903 32.500 0.001 0.000 0.762 768 K HN 1.078 nan 8.250 nan 0.000 0.472 769 Q N -0.089 119.711 119.800 -0.000 0.000 2.049 769 Q HA 0.030 4.386 4.340 0.027 0.000 0.198 769 Q C 2.581 178.580 176.000 -0.001 0.000 0.971 769 Q CA 2.235 58.038 55.803 -0.000 0.000 0.833 769 Q CB -1.008 27.730 28.738 -0.000 0.000 0.896 769 Q HN 0.808 nan 8.270 nan 0.000 0.434 770 K N 0.367 120.765 120.400 -0.004 0.000 2.296 770 K HA 0.347 4.683 4.320 0.027 0.000 0.200 770 K C 2.158 178.754 176.600 -0.008 0.000 1.048 770 K CA 1.062 57.345 56.287 -0.007 0.000 0.966 770 K CB -0.329 32.164 32.500 -0.011 0.000 0.754 770 K HN 0.560 nan 8.250 nan 0.000 0.466 771 L N 0.138 121.357 121.223 -0.007 0.000 2.102 771 L HA 0.029 4.385 4.340 0.027 0.000 0.202 771 L C 3.308 180.177 176.870 -0.002 0.000 1.076 771 L CA 1.171 56.006 54.840 -0.008 0.000 0.761 771 L CB -0.655 41.393 42.059 -0.018 0.000 0.921 771 L HN 0.522 nan 8.230 nan 0.000 0.444 772 E N 1.223 121.422 120.200 -0.002 0.000 2.136 772 E HA -0.358 4.008 4.350 0.027 0.000 0.202 772 E C 1.905 178.510 176.600 0.008 0.000 1.019 772 E CA 2.346 58.748 56.400 0.003 0.000 0.819 772 E CB -1.899 27.802 29.700 0.003 0.000 0.739 772 E HN 0.685 nan 8.360 nan 0.000 0.458 773 N N -0.041 118.662 118.700 0.005 0.000 2.022 773 N HA 0.100 4.856 4.740 0.027 0.000 0.194 773 N C 2.606 178.123 175.510 0.012 0.000 1.057 773 N CA 3.413 56.467 53.050 0.007 0.000 0.849 773 N CB -1.299 37.190 38.487 0.003 0.000 1.044 773 N HN 1.214 nan 8.380 nan 0.000 0.424 774 L N -0.194 121.036 121.223 0.011 0.000 2.187 774 L HA 0.124 4.480 4.340 0.027 0.000 0.213 774 L C 2.971 179.863 176.870 0.036 0.000 1.100 774 L CA 2.963 57.814 54.840 0.019 0.000 0.765 774 L CB -2.254 39.812 42.059 0.012 0.000 0.904 774 L HN 0.938 nan 8.230 nan 0.000 0.437 775 Q N -0.058 119.763 119.800 0.036 0.000 2.083 775 Q HA -0.127 4.229 4.340 0.027 0.000 0.198 775 Q C 2.035 178.060 176.000 0.043 0.000 0.969 775 Q CA 2.017 57.850 55.803 0.050 0.000 0.838 775 Q CB -1.884 26.876 28.738 0.036 0.000 0.900 775 Q HN 1.145 nan 8.270 nan 0.000 0.436 776 N N 0.002 118.720 118.700 0.030 0.000 2.501 776 N HA 0.233 4.989 4.740 0.027 0.000 0.195 776 N C 1.485 177.011 175.510 0.026 0.000 1.213 776 N CA 1.584 54.649 53.050 0.026 0.000 0.864 776 N CB -0.114 38.384 38.487 0.019 0.000 0.999 776 N HN 0.868 nan 8.380 nan 0.000 0.454 777 S N -4.761 110.956 115.700 0.030 0.000 5.689 777 S HA 0.181 4.667 4.470 0.027 0.000 0.127 777 S C 2.108 176.728 174.600 0.034 0.000 1.086 777 S CA 1.150 59.367 58.200 0.028 0.000 1.406 777 S CB -0.635 62.577 63.200 0.020 0.000 2.070 777 S HN 0.637 nan 8.310 nan 0.000 0.631 778 Q N 1.815 121.633 119.800 0.031 0.000 2.020 778 Q HA 0.458 4.814 4.340 0.027 0.000 0.202 778 Q C 1.675 177.700 176.000 0.043 0.000 0.982 778 Q CA 1.811 57.632 55.803 0.030 0.000 0.838 778 Q CB -2.072 26.677 28.738 0.019 0.000 0.899 778 Q HN 1.765 nan 8.270 nan 0.000 0.423 779 L N 2.353 123.612 121.223 0.060 0.000 2.584 779 L HA 0.479 4.835 4.340 0.027 0.000 0.272 779 L C -1.623 175.311 176.870 0.107 0.000 1.195 779 L CA -1.163 53.733 54.840 0.092 0.000 0.920 779 L CB -0.883 41.265 42.059 0.149 0.000 1.173 779 L HN 0.439 nan 8.230 nan 0.000 0.489 780 P HA 0.469 nan 4.420 nan 0.000 0.272 780 P C 1.217 178.589 177.300 0.121 0.000 1.230 780 P CA 0.402 63.559 63.100 0.095 0.000 0.788 780 P CB 0.458 32.203 31.700 0.075 0.000 0.949 781 E N 0.370 120.625 120.200 0.092 0.000 2.147 781 E HA -0.139 4.227 4.350 0.027 0.000 0.199 781 E C 0.889 177.539 176.600 0.083 0.000 1.005 781 E CA 1.856 58.305 56.400 0.083 0.000 0.810 781 E CB -0.663 29.072 29.700 0.058 0.000 0.736 781 E HN 0.670 nan 8.360 nan 0.000 0.460 782 S N -1.499 114.250 115.700 0.081 0.000 2.535 782 S HA 0.618 5.104 4.470 0.027 0.000 0.272 782 S C -0.651 173.989 174.600 0.065 0.000 1.149 782 S CA -0.474 57.735 58.200 0.015 0.000 0.888 782 S CB 0.859 64.034 63.200 -0.042 0.000 1.110 782 S HN 1.097 nan 8.310 nan 0.000 0.463 783 F N 0.227 120.125 119.950 -0.086 0.000 2.588 783 F HA 0.790 5.333 4.527 0.027 0.000 0.310 783 F C -0.356 175.356 175.800 -0.145 0.000 1.082 783 F CA -1.243 56.693 58.000 -0.107 0.000 0.929 783 F CB 1.416 40.353 39.000 -0.105 0.000 1.254 783 F HN 0.805 nan 8.300 nan 0.000 0.455 784 R N 1.474 122.017 120.500 0.071 0.000 2.582 784 R HA 0.601 4.957 4.340 0.027 0.000 0.271 784 R C -1.345 174.963 176.300 0.013 0.000 1.078 784 R CA -0.611 55.449 56.100 -0.067 0.000 1.127 784 R CB 1.374 31.641 30.300 -0.055 0.000 1.038 784 R HN 0.740 nan 8.270 nan 0.000 0.500 785 V N 6.846 126.646 119.914 -0.190 0.000 2.318 785 V HA 0.165 4.301 4.120 0.027 0.000 0.271 785 V C -1.667 174.208 176.094 -0.366 0.000 1.030 785 V CA -1.664 60.459 62.300 -0.296 0.000 0.844 785 V CB 1.509 33.074 31.823 -0.431 0.000 1.015 785 V HN 0.828 nan 8.190 nan 0.000 0.460 786 P HA -0.190 nan 4.420 nan 0.000 0.216 786 P C 0.974 178.236 177.300 -0.063 0.000 1.150 786 P CA 1.529 64.437 63.100 -0.320 0.000 0.843 786 P CB -0.022 31.107 31.700 -0.952 0.000 0.787 787 Y N -2.168 118.155 120.300 0.038 0.000 2.490 787 Y HA 0.416 4.982 4.550 0.027 0.000 0.281 787 Y C -0.068 175.967 175.900 0.224 0.000 1.174 787 Y CA -0.878 57.335 58.100 0.189 0.000 1.295 787 Y CB -0.784 37.718 38.460 0.069 0.000 1.062 787 Y HN -0.139 nan 8.280 nan 0.000 0.522 788 D N 0.499 121.014 120.400 0.191 0.000 3.171 788 D HA 0.115 4.771 4.640 0.027 0.000 0.240 788 D C -2.693 173.526 176.300 -0.135 0.000 1.432 788 D CA -1.245 52.843 54.000 0.146 0.000 0.892 788 D CB 0.800 41.782 40.800 0.303 0.000 1.499 788 D HN -0.016 nan 8.370 nan 0.000 0.597 789 P HA 0.111 nan 4.420 nan 0.000 0.237 789 P C 1.368 178.448 177.300 -0.367 0.000 1.178 789 P CA 0.324 63.083 63.100 -0.569 0.000 0.766 789 P CB 0.398 31.354 31.700 -1.240 0.000 0.876 790 G N 0.519 109.177 108.800 -0.236 0.000 2.403 790 G HA2 -0.076 3.900 3.960 0.027 0.000 0.216 790 G HA3 -0.076 3.900 3.960 0.027 0.000 0.216 790 G C 0.748 175.529 174.900 -0.198 0.000 1.154 790 G CA -0.047 44.941 45.100 -0.186 0.000 0.784 790 G HN 0.224 nan 8.290 nan 0.000 0.538 791 L N 1.609 122.724 121.223 -0.181 0.000 2.418 791 L HA 0.195 4.551 4.340 0.027 0.000 0.274 791 L C 0.007 176.736 176.870 -0.235 0.000 1.135 791 L CA -0.157 54.576 54.840 -0.179 0.000 0.870 791 L CB 0.872 42.853 42.059 -0.130 0.000 1.154 791 L HN 0.007 nan 8.230 nan 0.000 0.462 792 K N 3.820 124.079 120.400 -0.235 0.000 2.234 792 K HA 0.478 4.814 4.320 0.027 0.000 0.277 792 K C -0.202 176.171 176.600 -0.377 0.000 1.038 792 K CA -0.319 55.787 56.287 -0.300 0.000 0.888 792 K CB 1.856 34.227 32.500 -0.215 0.000 1.091 792 K HN 0.636 nan 8.250 nan 0.000 0.467 793 A N 2.347 124.757 122.820 -0.683 0.000 2.272 793 A HA 0.707 5.044 4.320 0.027 0.000 0.275 793 A C 0.712 177.943 177.584 -0.588 0.000 1.096 793 A CA 0.308 51.906 52.037 -0.731 0.000 0.822 793 A CB 0.841 19.073 19.000 -1.281 0.000 1.088 793 A HN 0.800 nan 8.150 nan 0.000 0.495 794 G N -1.066 107.606 108.800 -0.212 0.000 3.009 794 G HA2 0.543 4.519 3.960 0.027 0.000 0.183 794 G HA3 0.543 4.519 3.960 0.027 0.000 0.183 794 G C 0.226 175.277 174.900 0.251 0.000 1.613 794 G CA 0.475 45.574 45.100 -0.002 0.000 0.910 794 G HN 1.488 nan 8.290 nan 0.000 0.785 795 A N 0.008 122.957 122.820 0.215 0.000 2.310 795 A HA 0.726 5.062 4.320 0.027 0.000 0.299 795 A C -0.124 177.557 177.584 0.162 0.000 1.147 795 A CA -0.383 51.774 52.037 0.200 0.000 0.818 795 A CB 0.514 19.576 19.000 0.104 0.000 1.096 795 A HN 0.475 nan 8.150 nan 0.000 0.495 796 L N 1.240 122.485 121.223 0.037 0.000 2.461 796 L HA 0.312 4.668 4.340 0.027 0.000 0.272 796 L C 0.948 177.730 176.870 -0.146 0.000 1.197 796 L CA 0.002 54.689 54.840 -0.254 0.000 0.836 796 L CB 1.126 43.059 42.059 -0.211 0.000 1.105 796 L HN 0.784 nan 8.230 nan 0.000 0.477 797 A N 4.797 127.502 122.820 -0.192 0.000 3.095 797 A HA 0.281 4.617 4.320 0.027 0.000 0.301 797 A C 1.231 178.783 177.584 -0.052 0.000 1.432 797 A CA -0.520 51.477 52.037 -0.067 0.000 1.140 797 A CB -0.368 18.621 19.000 -0.018 0.000 1.174 797 A HN 0.686 nan 8.150 nan 0.000 0.546 798 I N 0.391 120.933 120.570 -0.047 0.000 2.248 798 I HA -0.269 3.917 4.170 0.027 0.000 0.248 798 I C 1.906 178.020 176.117 -0.006 0.000 1.107 798 I CA 1.652 62.933 61.300 -0.032 0.000 1.373 798 I CB -1.194 36.795 38.000 -0.019 0.000 1.055 798 I HN 0.545 nan 8.210 nan 0.000 0.418 799 E N 1.331 121.532 120.200 0.001 0.000 2.153 799 E HA -0.194 4.172 4.350 0.027 0.000 0.194 799 E C 2.050 178.659 176.600 0.016 0.000 0.988 799 E CA 1.089 57.494 56.400 0.008 0.000 0.811 799 E CB -0.240 29.466 29.700 0.010 0.000 0.746 799 E HN 0.411 nan 8.360 nan 0.000 0.466 800 K N -0.416 120.006 120.400 0.037 0.000 2.314 800 K HA 0.132 4.468 4.320 0.027 0.000 0.198 800 K C -0.151 176.516 176.600 0.112 0.000 1.045 800 K CA 0.087 56.416 56.287 0.070 0.000 0.988 800 K CB 0.357 32.934 32.500 0.127 0.000 0.783 800 K HN 0.055 nan 8.250 nan 0.000 0.484 801 C N 3.755 123.118 119.300 0.105 0.000 2.619 801 C HA 0.161 4.637 4.460 0.027 0.000 0.389 801 C C -0.027 175.028 174.990 0.108 0.000 1.314 801 C CA -0.711 58.397 59.018 0.151 0.000 1.678 801 C CB -1.549 26.231 27.740 0.066 0.000 2.398 801 C HN 0.329 nan 8.230 nan 0.000 0.582 802 K N 2.612 123.100 120.400 0.147 0.000 2.507 802 K HA 0.566 4.902 4.320 0.027 0.000 0.251 802 K C -1.043 175.635 176.600 0.129 0.000 0.943 802 K CA -0.611 55.714 56.287 0.064 0.000 0.794 802 K CB 0.938 33.400 32.500 -0.062 0.000 1.188 802 K HN 0.253 nan 8.250 nan 0.000 0.428 803 V N 4.445 124.418 119.914 0.098 0.000 2.814 803 V HA -0.051 4.085 4.120 0.027 0.000 0.307 803 V C 0.653 176.803 176.094 0.093 0.000 1.089 803 V CA 0.496 62.861 62.300 0.108 0.000 1.212 803 V CB 0.032 31.898 31.823 0.070 0.000 0.912 803 V HN 0.787 nan 8.190 nan 0.000 0.497 804 M N 3.119 122.794 119.600 0.125 0.000 2.513 804 M HA 0.480 4.976 4.480 0.027 0.000 0.291 804 M C 1.264 177.605 176.300 0.068 0.000 1.190 804 M CA -0.219 55.143 55.300 0.103 0.000 0.960 804 M CB 1.268 33.975 32.600 0.177 0.000 1.517 804 M HN 0.663 nan 8.290 nan 0.000 0.499 805 A N 0.175 123.023 122.820 0.047 0.000 2.016 805 A HA 0.015 4.351 4.320 0.027 0.000 0.217 805 A C 1.231 178.835 177.584 0.034 0.000 1.162 805 A CA 0.614 52.669 52.037 0.030 0.000 0.662 805 A CB -0.407 18.602 19.000 0.015 0.000 0.812 805 A HN 0.804 nan 8.150 nan 0.000 0.450 806 S N 0.195 115.922 115.700 0.044 0.000 2.536 806 S HA -0.118 4.368 4.470 0.027 0.000 0.290 806 S C 1.425 176.047 174.600 0.038 0.000 1.302 806 S CA 0.712 58.935 58.200 0.039 0.000 1.037 806 S CB 0.352 63.582 63.200 0.051 0.000 0.804 806 S HN 0.630 nan 8.310 nan 0.000 0.506 807 K N 2.195 122.611 120.400 0.028 0.000 2.283 807 K HA -0.059 4.277 4.320 0.027 0.000 0.202 807 K C 1.588 178.215 176.600 0.044 0.000 1.048 807 K CA 1.509 57.813 56.287 0.029 0.000 0.948 807 K CB -0.492 32.020 32.500 0.020 0.000 0.742 807 K HN 0.580 nan 8.250 nan 0.000 0.458 808 K N 1.801 122.236 120.400 0.058 0.000 2.387 808 K HA 0.114 4.450 4.320 0.027 0.000 0.198 808 K C -0.039 176.619 176.600 0.096 0.000 1.022 808 K CA -0.026 56.310 56.287 0.082 0.000 1.128 808 K CB -0.290 32.265 32.500 0.092 0.000 0.853 808 K HN 0.153 nan 8.250 nan 0.000 0.523 809 K N 0.618 121.067 120.400 0.080 0.000 5.294 809 K HA -0.103 4.233 4.320 0.027 0.000 0.344 809 K C -2.972 173.697 176.600 0.114 0.000 0.909 809 K CA 0.480 56.818 56.287 0.084 0.000 1.081 809 K CB -1.688 30.850 32.500 0.062 0.000 1.814 809 K HN 0.424 nan 8.250 nan 0.000 0.407 810 P HA 0.348 nan 4.420 nan 0.000 0.282 810 P C -0.009 177.406 177.300 0.191 0.000 1.259 810 P CA -0.711 62.490 63.100 0.169 0.000 0.826 810 P CB 0.839 32.635 31.700 0.159 0.000 1.064 811 L N 1.343 122.705 121.223 0.231 0.000 2.283 811 L HA 0.299 4.655 4.340 0.027 0.000 0.281 811 L C 0.107 177.158 176.870 0.300 0.000 1.033 811 L CA -0.677 54.311 54.840 0.247 0.000 0.848 811 L CB 0.461 42.656 42.059 0.226 0.000 1.226 811 L HN 0.439 nan 8.230 nan 0.000 0.429 812 W N 6.221 127.591 121.300 0.116 0.000 2.489 812 W HA 0.202 4.878 4.660 0.027 0.000 0.327 812 W C -1.174 175.413 176.519 0.114 0.000 1.436 812 W CA 0.217 57.630 57.345 0.112 0.000 1.315 812 W CB 0.492 29.998 29.460 0.077 0.000 1.373 812 W HN 0.445 nan 8.180 nan 0.000 0.557 813 L N 4.345 125.654 121.223 0.144 0.000 2.235 813 L HA 0.578 4.934 4.340 0.027 0.000 0.260 813 L C -0.760 176.183 176.870 0.121 0.000 1.025 813 L CA -1.004 53.940 54.840 0.174 0.000 0.836 813 L CB 2.372 44.593 42.059 0.270 0.000 1.395 813 L HN 0.258 nan 8.230 nan 0.000 0.443 814 E N -0.187 120.018 120.200 0.008 0.000 2.552 814 E HA 0.459 4.825 4.350 0.027 0.000 0.297 814 E C -1.990 174.497 176.600 -0.190 0.000 1.038 814 E CA -0.385 56.057 56.400 0.070 0.000 0.856 814 E CB 2.092 31.874 29.700 0.137 0.000 1.222 814 E HN 0.211 nan 8.360 nan 0.000 0.422 815 F N 0.686 120.694 119.950 0.096 0.000 2.603 815 F HA 0.679 5.222 4.527 0.027 0.000 0.317 815 F C 0.685 176.503 175.800 0.030 0.000 1.066 815 F CA -0.762 57.276 58.000 0.064 0.000 0.941 815 F CB 1.182 40.202 39.000 0.034 0.000 1.291 815 F HN 0.370 nan 8.300 nan 0.000 0.472 816 K N -0.522 119.993 120.400 0.191 0.000 2.098 816 K HA 0.549 4.885 4.320 0.027 0.000 0.257 816 K C -0.418 176.224 176.600 0.069 0.000 0.999 816 K CA -0.517 55.833 56.287 0.106 0.000 0.924 816 K CB 0.729 33.272 32.500 0.071 0.000 1.028 816 K HN 0.989 nan 8.250 nan 0.000 0.466 817 C N 2.390 121.703 119.300 0.022 0.000 2.349 817 C HA 0.616 5.092 4.460 0.027 0.000 0.348 817 C C 1.823 176.785 174.990 -0.046 0.000 1.223 817 C CA -0.193 58.804 59.018 -0.035 0.000 1.746 817 C CB -1.299 26.418 27.740 -0.037 0.000 2.360 817 C HN 1.000 nan 8.230 nan 0.000 0.533 818 A N 3.874 126.650 122.820 -0.074 0.000 2.204 818 A HA -0.115 4.221 4.320 0.027 0.000 0.220 818 A C 1.058 178.609 177.584 -0.056 0.000 1.165 818 A CA 1.546 53.548 52.037 -0.059 0.000 0.671 818 A CB -0.432 18.518 19.000 -0.082 0.000 0.792 818 A HN 0.933 nan 8.150 nan 0.000 0.473 819 D N -0.948 119.411 120.400 -0.068 0.000 2.380 819 D HA 0.312 4.968 4.640 0.027 0.000 0.230 819 D C -1.683 174.585 176.300 -0.052 0.000 1.154 819 D CA -2.253 51.705 54.000 -0.070 0.000 0.859 819 D CB 1.134 41.876 40.800 -0.098 0.000 1.045 819 D HN 0.031 nan 8.370 nan 0.000 0.495 820 P HA -0.120 nan 4.420 nan 0.000 0.218 820 P C 1.072 178.352 177.300 -0.033 0.000 1.146 820 P CA 1.207 64.291 63.100 -0.026 0.000 0.813 820 P CB 0.036 31.726 31.700 -0.017 0.000 0.778 821 T N -3.746 110.776 114.554 -0.053 0.000 3.252 821 T HA 0.342 4.708 4.350 0.027 0.000 0.250 821 T C 0.798 175.446 174.700 -0.086 0.000 1.123 821 T CA -0.263 61.794 62.100 -0.072 0.000 1.006 821 T CB -0.927 67.882 68.868 -0.097 0.000 0.992 821 T HN 0.050 nan 8.240 nan 0.000 0.547 822 A N 0.755 123.537 122.820 -0.063 0.000 2.524 822 A HA 0.631 4.967 4.320 0.027 0.000 0.250 822 A C 1.931 179.485 177.584 -0.051 0.000 1.078 822 A CA 0.242 52.247 52.037 -0.053 0.000 0.761 822 A CB -0.411 18.570 19.000 -0.031 0.000 1.012 822 A HN 0.945 nan 8.150 nan 0.000 0.500 823 L N 2.900 124.086 121.223 -0.062 0.000 1.933 823 L HA 0.206 4.562 4.340 0.027 0.000 0.220 823 L C 2.184 179.034 176.870 -0.033 0.000 1.078 823 L CA 2.953 57.745 54.840 -0.081 0.000 0.773 823 L CB -2.159 39.838 42.059 -0.103 0.000 0.890 823 L HN 1.255 nan 8.230 nan 0.000 0.434 824 S N -1.210 114.489 115.700 -0.002 0.000 2.596 824 S HA 0.360 4.846 4.470 0.027 0.000 0.262 824 S C 1.058 175.672 174.600 0.023 0.000 1.218 824 S CA 0.304 58.515 58.200 0.018 0.000 0.998 824 S CB -0.127 63.098 63.200 0.041 0.000 1.060 824 S HN 0.638 nan 8.310 nan 0.000 0.552 825 N N -0.326 118.395 118.700 0.035 0.000 2.257 825 N HA 0.270 5.026 4.740 0.027 0.000 0.200 825 N C 0.381 175.925 175.510 0.057 0.000 1.163 825 N CA 0.756 53.831 53.050 0.040 0.000 0.891 825 N CB 0.162 38.671 38.487 0.038 0.000 1.067 825 N HN 0.862 nan 8.380 nan 0.000 0.497 826 E N 0.726 120.965 120.200 0.065 0.000 2.696 826 E HA 0.108 4.474 4.350 0.027 0.000 0.270 826 E C 0.443 177.096 176.600 0.088 0.000 0.958 826 E CA 0.640 57.090 56.400 0.084 0.000 0.964 826 E CB -0.687 29.067 29.700 0.089 0.000 0.948 826 E HN 0.350 nan 8.360 nan 0.000 0.472 827 T N -1.342 113.277 114.554 0.108 0.000 2.923 827 T HA 0.694 5.060 4.350 0.027 0.000 0.281 827 T C 0.498 175.278 174.700 0.133 0.000 0.995 827 T CA -0.769 61.403 62.100 0.120 0.000 0.985 827 T CB 0.755 69.705 68.868 0.136 0.000 1.114 827 T HN 0.513 nan 8.240 nan 0.000 0.548 828 I N 1.192 121.857 120.570 0.158 0.000 2.325 828 I HA 0.479 4.665 4.170 0.027 0.000 0.291 828 I C 0.761 177.014 176.117 0.226 0.000 1.019 828 I CA -0.493 60.907 61.300 0.167 0.000 1.302 828 I CB 0.854 38.923 38.000 0.116 0.000 1.401 828 I HN 0.896 nan 8.210 nan 0.000 0.485 829 G N 7.775 116.670 108.800 0.159 0.000 2.533 829 G HA2 0.717 4.693 3.960 0.027 0.000 0.310 829 G HA3 0.717 4.693 3.960 0.027 0.000 0.310 829 G C -0.723 174.181 174.900 0.007 0.000 1.266 829 G CA -0.333 44.802 45.100 0.058 0.000 0.967 829 G HN 0.486 nan 8.290 nan 0.000 0.493 830 I N 1.750 122.358 120.570 0.063 0.000 2.646 830 I HA 0.448 4.634 4.170 0.027 0.000 0.299 830 I C -0.387 175.728 176.117 -0.003 0.000 1.036 830 I CA -0.947 60.412 61.300 0.098 0.000 1.074 830 I CB 2.782 40.947 38.000 0.275 0.000 1.258 830 I HN 0.249 nan 8.210 nan 0.000 0.430 831 I N 5.251 125.798 120.570 -0.038 0.000 2.621 831 I HA 0.226 4.412 4.170 0.027 0.000 0.276 831 I C -0.658 175.485 176.117 0.044 0.000 1.118 831 I CA -0.411 60.883 61.300 -0.011 0.000 1.159 831 I CB 0.348 38.294 38.000 -0.090 0.000 1.357 831 I HN 0.384 nan 8.210 nan 0.000 0.513 832 F N 5.029 125.031 119.950 0.087 0.000 2.519 832 F HA -0.023 4.521 4.527 0.027 0.000 0.381 832 F C 0.957 176.818 175.800 0.102 0.000 1.076 832 F CA 0.639 58.696 58.000 0.095 0.000 1.095 832 F CB 0.163 39.224 39.000 0.102 0.000 1.046 832 F HN 0.354 nan 8.300 nan 0.000 0.559 833 K N 4.451 124.976 120.400 0.208 0.000 2.221 833 K HA 0.294 4.630 4.320 0.027 0.000 0.258 833 K C -1.180 175.556 176.600 0.228 0.000 0.944 833 K CA -0.765 55.641 56.287 0.198 0.000 0.823 833 K CB 0.972 33.545 32.500 0.121 0.000 1.113 833 K HN 0.576 nan 8.250 nan 0.000 0.431 834 H N 1.938 121.089 119.070 0.134 0.000 2.569 834 H HA 0.469 5.041 4.556 0.027 0.000 0.357 834 H C 0.184 175.560 175.328 0.081 0.000 1.153 834 H CA 0.682 56.795 56.048 0.109 0.000 1.193 834 H CB 2.016 31.842 29.762 0.106 0.000 1.602 834 H HN 0.878 nan 8.280 nan 0.000 0.523 835 G N 3.925 112.673 108.800 -0.086 0.000 2.551 835 G HA2 -0.114 3.862 3.960 0.027 0.000 0.186 835 G HA3 -0.114 3.862 3.960 0.027 0.000 0.186 835 G C -0.707 174.179 174.900 -0.024 0.000 1.002 835 G CA 0.049 45.206 45.100 0.096 0.000 0.723 835 G HN 0.629 nan 8.290 nan 0.000 0.481 836 D N -0.024 120.334 120.400 -0.070 0.000 2.583 836 D HA 0.428 5.084 4.640 0.027 0.000 0.248 836 D C -1.749 174.524 176.300 -0.046 0.000 1.209 836 D CA -0.481 53.499 54.000 -0.033 0.000 0.848 836 D CB 1.799 42.606 40.800 0.012 0.000 1.431 836 D HN -0.020 nan 8.370 nan 0.000 0.436 837 D N 0.845 121.231 120.400 -0.023 0.000 2.317 837 D HA 0.180 4.836 4.640 0.027 0.000 0.252 837 D C 0.792 177.090 176.300 -0.004 0.000 1.174 837 D CA -0.054 53.933 54.000 -0.022 0.000 0.866 837 D CB 0.838 41.627 40.800 -0.018 0.000 1.127 837 D HN 0.225 nan 8.370 nan 0.000 0.467 838 L N 3.573 124.793 121.223 -0.004 0.000 2.591 838 L HA 0.147 4.503 4.340 0.027 0.000 0.228 838 L C 2.007 178.874 176.870 -0.005 0.000 1.133 838 L CA 0.083 54.932 54.840 0.015 0.000 0.880 838 L CB 0.068 42.138 42.059 0.019 0.000 1.033 838 L HN 0.283 nan 8.230 nan 0.000 0.450 839 R N -0.440 120.041 120.500 -0.031 0.000 2.316 839 R HA -0.092 4.264 4.340 0.027 0.000 0.202 839 R C 1.705 177.956 176.300 -0.082 0.000 1.029 839 R CA 0.679 56.737 56.100 -0.070 0.000 1.018 839 R CB 0.035 30.284 30.300 -0.085 0.000 0.888 839 R HN 0.484 nan 8.270 nan 0.000 0.471 840 Q N -0.430 119.344 119.800 -0.043 0.000 2.373 840 Q HA -0.030 4.326 4.340 0.027 0.000 0.210 840 Q C 0.911 176.885 176.000 -0.044 0.000 0.913 840 Q CA 0.692 56.469 55.803 -0.043 0.000 0.911 840 Q CB 0.425 29.162 28.738 -0.002 0.000 1.040 840 Q HN 0.199 nan 8.270 nan 0.000 0.521 841 D N 0.689 121.097 120.400 0.014 0.000 2.097 841 D HA -0.149 4.507 4.640 0.027 0.000 0.195 841 D C 1.698 177.920 176.300 -0.130 0.000 0.989 841 D CA 1.317 55.337 54.000 0.033 0.000 0.827 841 D CB 0.047 40.944 40.800 0.161 0.000 0.966 841 D HN 0.158 nan 8.370 nan 0.000 0.456 842 M N -0.188 119.340 119.600 -0.120 0.000 2.073 842 M HA -0.170 4.326 4.480 0.027 0.000 0.258 842 M C 2.193 178.346 176.300 -0.245 0.000 1.070 842 M CA 1.279 56.468 55.300 -0.184 0.000 1.103 842 M CB -0.412 32.078 32.600 -0.183 0.000 1.321 842 M HN 0.056 nan 8.290 nan 0.000 0.405 843 L N -0.196 120.892 121.223 -0.226 0.000 2.046 843 L HA -0.227 4.129 4.340 0.027 0.000 0.208 843 L C 2.497 179.228 176.870 -0.231 0.000 1.077 843 L CA 0.804 55.513 54.840 -0.218 0.000 0.747 843 L CB -0.602 41.355 42.059 -0.170 0.000 0.896 843 L HN 0.320 nan 8.230 nan 0.000 0.432 844 I N -0.115 120.280 120.570 -0.291 0.000 2.179 844 I HA -0.271 3.915 4.170 0.027 0.000 0.242 844 I C 2.510 178.368 176.117 -0.430 0.000 1.088 844 I CA 1.636 62.692 61.300 -0.407 0.000 1.357 844 I CB -0.886 36.667 38.000 -0.744 0.000 1.051 844 I HN 0.257 nan 8.210 nan 0.000 0.409 845 L N -0.106 120.856 121.223 -0.436 0.000 2.012 845 L HA -0.259 4.097 4.340 0.027 0.000 0.210 845 L C 2.594 179.309 176.870 -0.259 0.000 1.073 845 L CA 1.423 56.061 54.840 -0.336 0.000 0.748 845 L CB -0.703 41.157 42.059 -0.332 0.000 0.891 845 L HN 0.236 nan 8.230 nan 0.000 0.431 846 Q N 0.191 119.839 119.800 -0.253 0.000 2.291 846 Q HA -0.118 4.238 4.340 0.027 0.000 0.205 846 Q C 2.076 177.958 176.000 -0.197 0.000 0.970 846 Q CA 1.178 56.844 55.803 -0.230 0.000 0.876 846 Q CB 0.020 28.606 28.738 -0.253 0.000 0.935 846 Q HN 0.484 nan 8.270 nan 0.000 0.455 847 I N -0.347 120.110 120.570 -0.189 0.000 2.202 847 I HA -0.263 3.923 4.170 0.027 0.000 0.242 847 I C 1.821 177.822 176.117 -0.193 0.000 1.091 847 I CA 0.941 62.144 61.300 -0.162 0.000 1.368 847 I CB -0.385 37.537 38.000 -0.131 0.000 1.058 847 I HN 0.270 nan 8.210 nan 0.000 0.410 848 L N 0.348 121.449 121.223 -0.204 0.000 2.079 848 L HA -0.195 4.161 4.340 0.027 0.000 0.210 848 L C 2.706 179.459 176.870 -0.196 0.000 1.081 848 L CA 1.368 56.084 54.840 -0.207 0.000 0.752 848 L CB -0.771 41.187 42.059 -0.167 0.000 0.896 848 L HN 0.200 nan 8.230 nan 0.000 0.433 849 R N 0.107 120.510 120.500 -0.162 0.000 2.152 849 R HA -0.107 4.249 4.340 0.027 0.000 0.232 849 R C 2.243 178.496 176.300 -0.078 0.000 1.117 849 R CA 1.217 57.249 56.100 -0.114 0.000 0.981 849 R CB -0.379 29.836 30.300 -0.140 0.000 0.870 849 R HN 0.395 nan 8.270 nan 0.000 0.451 850 I N 0.453 120.939 120.570 -0.140 0.000 2.233 850 I HA -0.239 3.947 4.170 0.027 0.000 0.243 850 I C 2.401 178.350 176.117 -0.280 0.000 1.093 850 I CA 1.161 62.361 61.300 -0.166 0.000 1.380 850 I CB -0.088 37.804 38.000 -0.179 0.000 1.067 850 I HN 0.121 nan 8.210 nan 0.000 0.413 851 M N 0.069 119.421 119.600 -0.412 0.000 2.195 851 M HA -0.262 4.234 4.480 0.027 0.000 0.260 851 M C 2.087 177.811 176.300 -0.960 0.000 1.066 851 M CA 1.843 56.653 55.300 -0.816 0.000 1.089 851 M CB -0.313 31.707 32.600 -0.966 0.000 1.377 851 M HN 0.201 nan 8.290 nan 0.000 0.411 852 E N -0.413 119.532 120.200 -0.426 0.000 2.047 852 E HA -0.168 4.198 4.350 0.027 0.000 0.191 852 E C 2.050 178.637 176.600 -0.022 0.000 0.987 852 E CA 1.708 58.071 56.400 -0.063 0.000 0.799 852 E CB -0.168 29.557 29.700 0.041 0.000 0.752 852 E HN 0.568 nan 8.360 nan 0.000 0.449 853 S N 0.791 116.453 115.700 -0.064 0.000 2.442 853 S HA -0.096 4.390 4.470 0.027 0.000 0.236 853 S C 1.913 176.465 174.600 -0.081 0.000 1.007 853 S CA 0.693 58.869 58.200 -0.040 0.000 0.965 853 S CB -0.405 62.717 63.200 -0.130 0.000 0.773 853 S HN 0.189 nan 8.310 nan 0.000 0.504 854 I N -0.935 119.510 120.570 -0.210 0.000 3.059 854 I HA 0.084 4.270 4.170 0.027 0.000 0.270 854 I C 1.414 177.427 176.117 -0.174 0.000 1.238 854 I CA 0.287 61.427 61.300 -0.267 0.000 1.478 854 I CB -0.187 37.522 38.000 -0.486 0.000 1.097 854 I HN 0.349 nan 8.210 nan 0.000 0.455 855 W N 1.194 122.452 121.300 -0.071 0.000 3.290 855 W HA 0.135 4.811 4.660 0.027 0.000 0.287 855 W C 2.083 178.626 176.519 0.040 0.000 1.288 855 W CA 0.126 57.440 57.345 -0.052 0.000 1.725 855 W CB -0.333 29.073 29.460 -0.090 0.000 1.103 855 W HN 0.277 nan 8.180 nan 0.000 0.670 856 E N 0.037 120.383 120.200 0.242 0.000 2.340 856 E HA -0.091 4.275 4.350 0.027 0.000 0.198 856 E C 1.879 178.563 176.600 0.140 0.000 0.961 856 E CA 1.194 57.746 56.400 0.252 0.000 0.905 856 E CB 0.205 30.008 29.700 0.171 0.000 0.884 856 E HN 0.018 nan 8.360 nan 0.000 0.491 857 T N -1.600 113.011 114.554 0.094 0.000 3.148 857 T HA 0.093 4.459 4.350 0.027 0.000 0.253 857 T C 0.711 175.458 174.700 0.077 0.000 1.134 857 T CA 0.202 62.340 62.100 0.064 0.000 1.051 857 T CB 0.028 68.930 68.868 0.055 0.000 0.959 857 T HN 0.129 nan 8.240 nan 0.000 0.525 858 E N 0.722 120.996 120.200 0.124 0.000 2.846 858 E HA 0.233 4.599 4.350 0.027 0.000 0.211 858 E C -0.504 176.196 176.600 0.166 0.000 0.975 858 E CA -0.442 56.033 56.400 0.125 0.000 1.211 858 E CB 0.724 30.504 29.700 0.133 0.000 1.052 858 E HN 0.383 nan 8.360 nan 0.000 0.487 859 S N 0.945 116.786 115.700 0.235 0.000 3.578 859 S HA -0.180 4.306 4.470 0.027 0.000 0.449 859 S C -0.384 174.446 174.600 0.383 0.000 0.853 859 S CA 0.537 58.969 58.200 0.387 0.000 1.348 859 S CB -1.152 62.172 63.200 0.206 0.000 0.907 859 S HN 0.378 nan 8.310 nan 0.000 0.627 860 L N 1.309 122.716 121.223 0.307 0.000 2.513 860 L HA 0.623 4.979 4.340 0.027 0.000 0.261 860 L C -1.205 175.409 176.870 -0.427 0.000 0.945 860 L CA -0.538 54.219 54.840 -0.137 0.000 0.848 860 L CB 2.148 44.160 42.059 -0.078 0.000 1.334 860 L HN 0.324 nan 8.230 nan 0.000 0.407 861 D N 3.491 123.484 120.400 -0.679 0.000 2.386 861 D HA 0.319 4.975 4.640 0.027 0.000 0.247 861 D C -0.463 175.519 176.300 -0.530 0.000 1.336 861 D CA -0.246 53.366 54.000 -0.646 0.000 0.976 861 D CB 1.330 41.552 40.800 -0.963 0.000 1.257 861 D HN 0.384 nan 8.370 nan 0.000 0.570 862 L N 2.759 123.768 121.223 -0.357 0.000 2.783 862 L HA 0.223 4.579 4.340 0.027 0.000 0.236 862 L C 0.492 177.274 176.870 -0.147 0.000 1.225 862 L CA -0.526 54.138 54.840 -0.292 0.000 1.026 862 L CB -0.270 41.441 42.059 -0.580 0.000 1.314 862 L HN 0.556 nan 8.230 nan 0.000 0.489 863 C N 0.506 119.724 119.300 -0.137 0.000 4.114 863 C HA -0.201 4.275 4.460 0.027 0.000 0.300 863 C C 1.218 176.227 174.990 0.032 0.000 1.423 863 C CA -0.155 58.834 59.018 -0.050 0.000 2.034 863 C CB -3.201 24.532 27.740 -0.012 0.000 1.299 863 C HN 0.413 nan 8.230 nan 0.000 0.727 864 L N -0.506 120.710 121.223 -0.011 0.000 2.464 864 L HA 0.360 4.716 4.340 0.027 0.000 0.264 864 L C 0.596 177.528 176.870 0.103 0.000 1.199 864 L CA 0.102 54.925 54.840 -0.028 0.000 0.818 864 L CB 0.306 42.230 42.059 -0.225 0.000 1.102 864 L HN 0.271 nan 8.230 nan 0.000 0.473 865 L N 3.528 124.915 121.223 0.273 0.000 2.445 865 L HA 0.302 4.659 4.340 0.027 0.000 0.252 865 L C -2.175 174.817 176.870 0.203 0.000 1.105 865 L CA -1.328 53.559 54.840 0.079 0.000 0.943 865 L CB 1.091 42.934 42.059 -0.361 0.000 1.277 865 L HN 0.323 nan 8.230 nan 0.000 0.465 866 P HA 0.088 nan 4.420 nan 0.000 0.252 866 P C -0.782 176.455 177.300 -0.104 0.000 1.727 866 P CA -0.308 62.776 63.100 -0.025 0.000 1.134 866 P CB -0.494 31.159 31.700 -0.078 0.000 1.876 867 Y N 0.191 120.489 120.300 -0.003 0.000 2.683 867 Y HA 0.334 4.901 4.550 0.027 0.000 0.340 867 Y C 1.141 176.964 175.900 -0.127 0.000 1.245 867 Y CA -1.065 56.976 58.100 -0.098 0.000 1.485 867 Y CB -0.289 38.117 38.460 -0.091 0.000 1.328 867 Y HN 0.306 nan 8.280 nan 0.000 0.603 868 G N 1.093 109.780 108.800 -0.189 0.000 2.414 868 G HA2 0.276 4.252 3.960 0.027 0.000 0.236 868 G HA3 0.276 4.252 3.960 0.027 0.000 0.236 868 G C -1.048 173.759 174.900 -0.154 0.000 1.293 868 G CA -0.013 44.943 45.100 -0.240 0.000 0.869 868 G HN 1.282 nan 8.290 nan 0.000 0.556 869 C N 4.667 123.962 119.300 -0.010 0.000 2.968 869 C HA 0.537 5.013 4.460 0.027 0.000 0.389 869 C C -0.657 174.380 174.990 0.077 0.000 1.068 869 C CA -1.128 57.926 59.018 0.059 0.000 1.272 869 C CB -0.687 27.077 27.740 0.040 0.000 1.711 869 C HN 0.638 nan 8.230 nan 0.000 0.501 870 I N 4.076 124.701 120.570 0.091 0.000 2.493 870 I HA 0.428 4.615 4.170 0.027 0.000 0.298 870 I C 0.434 176.557 176.117 0.010 0.000 0.998 870 I CA 0.055 61.393 61.300 0.064 0.000 1.137 870 I CB 2.206 40.186 38.000 -0.034 0.000 1.310 870 I HN 0.711 nan 8.210 nan 0.000 0.445 871 S N 2.271 118.005 115.700 0.057 0.000 2.480 871 S HA 0.375 4.861 4.470 0.027 0.000 0.286 871 S C 0.734 175.405 174.600 0.118 0.000 1.180 871 S CA -0.431 57.798 58.200 0.048 0.000 1.075 871 S CB 0.795 64.013 63.200 0.029 0.000 0.996 871 S HN 0.787 nan 8.310 nan 0.000 0.487 872 T N 1.172 115.797 114.554 0.118 0.000 2.959 872 T HA 0.550 4.916 4.350 0.027 0.000 0.254 872 T C 0.825 175.641 174.700 0.193 0.000 1.003 872 T CA 0.311 62.565 62.100 0.257 0.000 0.950 872 T CB 0.322 69.316 68.868 0.210 0.000 1.090 872 T HN 0.827 nan 8.240 nan 0.000 0.503 873 G N 0.339 109.204 108.800 0.108 0.000 2.435 873 G HA2 0.374 4.350 3.960 0.027 0.000 0.296 873 G HA3 0.374 4.350 3.960 0.027 0.000 0.296 873 G C -2.104 172.821 174.900 0.042 0.000 1.240 873 G CA -0.587 44.559 45.100 0.077 0.000 0.872 873 G HN 0.055 nan 8.290 nan 0.000 0.480 874 D N 0.953 121.378 120.400 0.042 0.000 2.336 874 D HA 0.281 4.938 4.640 0.027 0.000 0.249 874 D C 0.642 176.910 176.300 -0.054 0.000 1.213 874 D CA 0.158 54.165 54.000 0.013 0.000 0.870 874 D CB 0.468 41.291 40.800 0.038 0.000 1.076 874 D HN 0.530 nan 8.370 nan 0.000 0.483 875 K N 1.478 121.827 120.400 -0.084 0.000 3.349 875 K HA -0.227 4.109 4.320 0.027 0.000 0.310 875 K C 0.067 176.506 176.600 -0.268 0.000 1.267 875 K CA 0.591 56.769 56.287 -0.182 0.000 0.920 875 K CB -1.110 31.240 32.500 -0.250 0.000 1.240 875 K HN 0.579 nan 8.250 nan 0.000 0.453 876 I N -1.128 119.371 120.570 -0.119 0.000 2.619 876 I HA 0.539 4.725 4.170 0.027 0.000 0.292 876 I C 0.198 176.342 176.117 0.046 0.000 1.100 876 I CA -0.298 60.994 61.300 -0.014 0.000 1.043 876 I CB 1.891 39.962 38.000 0.119 0.000 1.239 876 I HN 0.108 nan 8.210 nan 0.000 0.420 877 G N 6.772 115.588 108.800 0.028 0.000 2.933 877 G HA2 0.582 4.558 3.960 0.027 0.000 0.203 877 G HA3 0.582 4.558 3.960 0.027 0.000 0.203 877 G C -1.345 173.412 174.900 -0.237 0.000 1.170 877 G CA -0.511 44.555 45.100 -0.056 0.000 0.880 877 G HN 0.677 nan 8.290 nan 0.000 0.573 878 M N -0.918 118.536 119.600 -0.243 0.000 2.569 878 M HA 0.847 5.343 4.480 0.027 0.000 0.279 878 M C -2.062 174.206 176.300 -0.053 0.000 1.253 878 M CA -0.770 54.337 55.300 -0.322 0.000 0.867 878 M CB 2.332 34.608 32.600 -0.541 0.000 1.727 878 M HN 0.414 nan 8.290 nan 0.000 0.467 879 I N 0.328 120.893 120.570 -0.009 0.000 3.074 879 I HA 0.442 4.628 4.170 0.027 0.000 0.310 879 I C -0.873 175.213 176.117 -0.051 0.000 1.153 879 I CA -0.511 60.812 61.300 0.038 0.000 0.993 879 I CB 2.522 40.547 38.000 0.041 0.000 1.237 879 I HN 0.795 nan 8.210 nan 0.000 0.443 880 E N 3.899 123.960 120.200 -0.232 0.000 2.175 880 E HA 0.480 4.846 4.350 0.027 0.000 0.278 880 E C -1.256 175.201 176.600 -0.237 0.000 0.969 880 E CA -0.657 55.481 56.400 -0.437 0.000 0.796 880 E CB 1.382 30.567 29.700 -0.860 0.000 1.104 880 E HN 0.426 nan 8.360 nan 0.000 0.395 881 I N 4.608 125.054 120.570 -0.206 0.000 2.337 881 I HA 0.071 4.258 4.170 0.027 0.000 0.291 881 I C -0.269 175.793 176.117 -0.092 0.000 1.046 881 I CA -0.533 60.621 61.300 -0.243 0.000 1.324 881 I CB 1.275 39.010 38.000 -0.442 0.000 1.409 881 I HN 0.294 nan 8.210 nan 0.000 0.494 882 V N 7.736 127.628 119.914 -0.037 0.000 2.488 882 V HA 0.138 4.274 4.120 0.027 0.000 0.277 882 V C 0.617 176.787 176.094 0.126 0.000 1.046 882 V CA -0.729 61.589 62.300 0.030 0.000 0.986 882 V CB 0.623 32.443 31.823 -0.005 0.000 0.989 882 V HN 0.519 nan 8.190 nan 0.000 0.475 883 K N 3.090 123.565 120.400 0.124 0.000 2.355 883 K HA 0.082 4.419 4.320 0.027 0.000 0.270 883 K C 0.302 177.023 176.600 0.202 0.000 1.003 883 K CA 0.049 56.435 56.287 0.165 0.000 0.957 883 K CB 0.141 32.724 32.500 0.138 0.000 0.939 883 K HN 0.802 nan 8.250 nan 0.000 0.482 884 D N -0.426 120.110 120.400 0.227 0.000 2.740 884 D HA -0.219 4.437 4.640 0.027 0.000 0.231 884 D C -0.619 175.861 176.300 0.299 0.000 1.194 884 D CA 1.042 55.185 54.000 0.238 0.000 0.673 884 D CB -1.092 39.818 40.800 0.182 0.000 0.995 884 D HN 0.552 nan 8.370 nan 0.000 0.411 885 A N -0.145 122.868 122.820 0.321 0.000 2.386 885 A HA 0.777 5.113 4.320 0.027 0.000 0.311 885 A C -0.005 177.724 177.584 0.241 0.000 1.068 885 A CA -0.434 51.805 52.037 0.337 0.000 0.743 885 A CB 2.543 21.805 19.000 0.436 0.000 1.258 885 A HN 0.082 nan 8.150 nan 0.000 0.429 886 T N 0.590 115.216 114.554 0.120 0.000 2.909 886 T HA 0.646 5.012 4.350 0.027 0.000 0.299 886 T C 0.507 175.095 174.700 -0.187 0.000 1.073 886 T CA 0.303 62.388 62.100 -0.024 0.000 0.999 886 T CB 1.092 69.919 68.868 -0.069 0.000 1.098 886 T HN 1.252 nan 8.240 nan 0.000 0.477 887 T N 2.136 116.584 114.554 -0.177 0.000 2.652 887 T HA 0.245 4.611 4.350 0.027 0.000 0.319 887 T C 1.632 176.184 174.700 -0.247 0.000 1.029 887 T CA -0.616 61.353 62.100 -0.217 0.000 0.990 887 T CB 0.205 68.978 68.868 -0.157 0.000 1.098 887 T HN 0.364 nan 8.240 nan 0.000 0.520 888 I N 0.744 121.198 120.570 -0.194 0.000 2.277 888 I HA 0.043 4.229 4.170 0.027 0.000 0.243 888 I C 3.064 179.123 176.117 -0.097 0.000 1.094 888 I CA 1.414 62.635 61.300 -0.132 0.000 1.393 888 I CB -2.134 35.834 38.000 -0.055 0.000 1.078 888 I HN 0.875 nan 8.210 nan 0.000 0.417 889 A N 1.111 123.889 122.820 -0.069 0.000 1.940 889 A HA -0.251 4.085 4.320 0.027 0.000 0.219 889 A C 2.506 180.094 177.584 0.007 0.000 1.176 889 A CA 2.636 54.688 52.037 0.025 0.000 0.631 889 A CB -0.898 18.130 19.000 0.046 0.000 0.814 889 A HN 0.439 nan 8.150 nan 0.000 0.446 890 K N -0.225 120.142 120.400 -0.055 0.000 2.365 890 K HA 0.260 4.596 4.320 0.027 0.000 0.199 890 K C 1.631 178.173 176.600 -0.097 0.000 1.045 890 K CA 1.173 57.426 56.287 -0.056 0.000 0.962 890 K CB -0.813 31.649 32.500 -0.063 0.000 0.759 890 K HN 0.609 nan 8.250 nan 0.000 0.469 891 I N 0.299 120.768 120.570 -0.169 0.000 2.617 891 I HA -0.183 4.003 4.170 0.027 0.000 0.256 891 I C 2.426 178.488 176.117 -0.091 0.000 1.167 891 I CA 0.728 61.883 61.300 -0.242 0.000 1.469 891 I CB 0.228 37.980 38.000 -0.413 0.000 1.098 891 I HN 0.379 nan 8.210 nan 0.000 0.436 892 Q N 0.621 120.404 119.800 -0.028 0.000 2.204 892 Q HA -0.075 4.281 4.340 0.027 0.000 0.198 892 Q C 1.232 177.205 176.000 -0.046 0.000 0.946 892 Q CA 0.625 56.435 55.803 0.013 0.000 0.859 892 Q CB 0.010 28.838 28.738 0.150 0.000 0.946 892 Q HN 0.605 nan 8.270 nan 0.000 0.474 893 Q N 1.043 120.822 119.800 -0.035 0.000 3.207 893 Q HA 0.268 4.624 4.340 0.027 0.000 0.335 893 Q C -0.270 175.710 176.000 -0.033 0.000 1.374 893 Q CA -0.153 55.621 55.803 -0.049 0.000 1.023 893 Q CB 0.363 29.094 28.738 -0.012 0.000 1.576 893 Q HN -0.067 nan 8.270 nan 0.000 0.515 900 G N 1.223 109.740 108.800 -0.471 0.000 3.818 900 G HA2 0.745 4.721 3.960 0.027 0.000 0.338 900 G HA3 0.745 4.721 3.960 0.027 0.000 0.338 900 G C 0.250 174.643 174.900 -0.845 0.000 1.318 900 G CA 0.436 44.872 45.100 -1.108 0.000 1.242 900 G HN 1.172 nan 8.290 nan 0.000 0.493 901 A N 1.193 123.511 122.820 -0.837 0.000 2.281 901 A HA 0.982 5.318 4.320 0.027 0.000 0.329 901 A C -1.111 175.775 177.584 -1.163 0.000 1.122 901 A CA -0.620 50.977 52.037 -0.733 0.000 0.850 901 A CB 1.158 19.901 19.000 -0.430 0.000 1.207 901 A HN 0.455 nan 8.150 nan 0.000 0.495 902 F N -1.140 118.440 119.950 -0.616 0.000 2.599 902 F HA 0.695 5.238 4.527 0.027 0.000 0.311 902 F C 0.460 175.835 175.800 -0.708 0.000 1.076 902 F CA -0.358 57.173 58.000 -0.783 0.000 0.937 902 F CB 2.025 40.123 39.000 -1.502 0.000 1.282 902 F HN 0.753 nan 8.300 nan 0.000 0.460 903 K N -0.074 120.165 120.400 -0.269 0.000 2.316 903 K HA 0.574 4.910 4.320 0.027 0.000 0.251 903 K C -0.273 176.290 176.600 -0.061 0.000 0.934 903 K CA -0.678 55.507 56.287 -0.171 0.000 0.802 903 K CB 0.939 33.364 32.500 -0.124 0.000 1.171 903 K HN 0.593 nan 8.250 nan 0.000 0.426 904 D N 0.621 120.997 120.400 -0.041 0.000 2.077 904 D HA -0.131 4.525 4.640 0.027 0.000 0.196 904 D C 1.185 177.157 176.300 -0.546 0.000 0.986 904 D CA 1.567 55.512 54.000 -0.091 0.000 0.829 904 D CB 0.151 40.979 40.800 0.047 0.000 0.983 904 D HN 0.788 nan 8.370 nan 0.000 0.453 905 E N 0.477 120.233 120.200 -0.740 0.000 2.333 905 E HA -0.116 4.250 4.350 0.027 0.000 0.200 905 E C 2.027 178.389 176.600 -0.397 0.000 1.010 905 E CA 0.322 56.109 56.400 -1.022 0.000 0.841 905 E CB 0.069 29.523 29.700 -0.409 0.000 0.757 905 E HN 0.156 nan 8.360 nan 0.000 0.508 906 V N 1.272 121.119 119.914 -0.112 0.000 2.626 906 V HA -0.275 3.861 4.120 0.027 0.000 0.252 906 V C 2.821 178.980 176.094 0.109 0.000 1.067 906 V CA 1.616 63.971 62.300 0.091 0.000 1.081 906 V CB -1.276 30.578 31.823 0.052 0.000 0.686 906 V HN 0.354 nan 8.190 nan 0.000 0.468 907 L N 0.397 121.626 121.223 0.009 0.000 1.941 907 L HA -0.305 4.051 4.340 0.027 0.000 0.224 907 L C 2.287 179.256 176.870 0.165 0.000 1.081 907 L CA 3.281 58.170 54.840 0.082 0.000 0.784 907 L CB -2.038 40.043 42.059 0.036 0.000 0.894 907 L HN 0.470 nan 8.230 nan 0.000 0.436 908 N N -1.854 116.907 118.700 0.102 0.000 2.104 908 N HA -0.172 4.584 4.740 0.027 0.000 0.190 908 N C 1.783 177.393 175.510 0.167 0.000 1.024 908 N CA 1.440 54.614 53.050 0.207 0.000 0.853 908 N CB -0.496 38.133 38.487 0.237 0.000 1.008 908 N HN 0.752 nan 8.380 nan 0.000 0.424 909 H N -1.645 117.500 119.070 0.124 0.000 2.353 909 H HA -0.165 4.408 4.556 0.027 0.000 0.298 909 H C 1.687 177.105 175.328 0.151 0.000 1.103 909 H CA 1.390 57.494 56.048 0.092 0.000 1.293 909 H CB -0.516 29.282 29.762 0.060 0.000 1.372 909 H HN 0.439 nan 8.280 nan 0.000 0.501 910 W N 1.217 122.623 121.300 0.175 0.000 2.436 910 W HA -0.057 4.619 4.660 0.027 0.000 0.284 910 W C 2.764 179.375 176.519 0.154 0.000 1.225 910 W CA 2.179 59.604 57.345 0.134 0.000 1.271 910 W CB -0.414 29.113 29.460 0.111 0.000 1.114 910 W HN 0.086 nan 8.180 nan 0.000 0.559 911 L N 0.888 122.325 121.223 0.356 0.000 1.988 911 L HA -0.044 4.312 4.340 0.027 0.000 0.207 911 L C 2.272 179.322 176.870 0.300 0.000 1.071 911 L CA 3.590 58.621 54.840 0.319 0.000 0.744 911 L CB -2.315 40.020 42.059 0.460 0.000 0.893 911 L HN 0.105 nan 8.230 nan 0.000 0.433 912 K N -0.126 120.433 120.400 0.265 0.000 2.160 912 K HA -0.249 4.087 4.320 0.027 0.000 0.206 912 K C 2.058 178.648 176.600 -0.018 0.000 1.047 912 K CA 1.699 57.971 56.287 -0.025 0.000 0.930 912 K CB -0.989 31.320 32.500 -0.318 0.000 0.720 912 K HN 0.843 nan 8.250 nan 0.000 0.450 913 E N -0.051 120.126 120.200 -0.038 0.000 2.268 913 E HA -0.135 4.231 4.350 0.027 0.000 0.195 913 E C 0.727 177.226 176.600 -0.167 0.000 0.995 913 E CA 0.834 57.175 56.400 -0.100 0.000 0.836 913 E CB 0.197 29.823 29.700 -0.123 0.000 0.763 913 E HN 0.440 nan 8.360 nan 0.000 0.491 914 K N 0.308 120.576 120.400 -0.221 0.000 2.414 914 K HA 0.196 4.533 4.320 0.027 0.000 0.204 914 K C -0.297 176.254 176.600 -0.083 0.000 1.026 914 K CA -0.008 56.133 56.287 -0.242 0.000 1.108 914 K CB 1.420 33.611 32.500 -0.515 0.000 0.855 914 K HN -0.143 nan 8.250 nan 0.000 0.517 915 S N 2.713 118.420 115.700 0.011 0.000 2.532 915 S HA 0.244 4.730 4.470 0.027 0.000 0.318 915 S C -1.962 172.667 174.600 0.050 0.000 1.083 915 S CA -1.114 57.137 58.200 0.085 0.000 1.131 915 S CB 1.666 65.019 63.200 0.256 0.000 0.973 915 S HN -0.049 nan 8.310 nan 0.000 0.468 916 P HA -0.107 nan 4.420 nan 0.000 0.216 916 P C 0.975 178.290 177.300 0.024 0.000 1.153 916 P CA 1.269 64.377 63.100 0.014 0.000 0.858 916 P CB -0.012 31.697 31.700 0.014 0.000 0.789 917 T N -3.282 111.300 114.554 0.046 0.000 2.952 917 T HA 0.264 4.630 4.350 0.027 0.000 0.286 917 T C 0.665 175.421 174.700 0.094 0.000 1.024 917 T CA -0.789 61.343 62.100 0.053 0.000 1.029 917 T CB 1.607 70.504 68.868 0.049 0.000 1.094 917 T HN -0.153 nan 8.240 nan 0.000 0.515 918 E N -0.042 120.208 120.200 0.083 0.000 2.445 918 E HA 0.006 4.373 4.350 0.027 0.000 0.189 918 E C 1.192 177.900 176.600 0.180 0.000 1.069 918 E CA 0.060 56.540 56.400 0.133 0.000 0.871 918 E CB 0.224 29.950 29.700 0.043 0.000 0.991 918 E HN 0.877 nan 8.360 nan 0.000 0.481 919 E N 0.511 120.789 120.200 0.130 0.000 2.079 919 E HA -0.098 4.268 4.350 0.027 0.000 0.191 919 E C 1.342 178.007 176.600 0.108 0.000 0.961 919 E CA 0.381 56.846 56.400 0.109 0.000 0.823 919 E CB 0.182 29.924 29.700 0.071 0.000 0.789 919 E HN -0.044 nan 8.360 nan 0.000 0.459 920 K N 0.315 120.775 120.400 0.100 0.000 2.209 920 K HA -0.105 4.231 4.320 0.027 0.000 0.204 920 K C 1.753 178.411 176.600 0.097 0.000 1.048 920 K CA 1.199 57.535 56.287 0.082 0.000 0.940 920 K CB -0.392 32.150 32.500 0.071 0.000 0.729 920 K HN 0.170 nan 8.250 nan 0.000 0.451 921 F N 1.425 121.393 119.950 0.030 0.000 2.269 921 F HA -0.176 4.367 4.527 0.027 0.000 0.301 921 F C 1.886 177.714 175.800 0.047 0.000 1.082 921 F CA 1.305 59.324 58.000 0.033 0.000 1.360 921 F CB 0.189 39.204 39.000 0.025 0.000 1.041 921 F HN -0.003 nan 8.300 nan 0.000 0.512 922 Q N 0.092 119.885 119.800 -0.011 0.000 2.302 922 Q HA 0.131 4.487 4.340 0.027 0.000 0.202 922 Q C 2.467 178.428 176.000 -0.065 0.000 0.936 922 Q CA 0.970 56.740 55.803 -0.055 0.000 0.886 922 Q CB -0.429 28.379 28.738 0.118 0.000 0.986 922 Q HN 0.502 nan 8.270 nan 0.000 0.487 923 A N 1.045 123.851 122.820 -0.022 0.000 1.902 923 A HA -0.104 4.232 4.320 0.027 0.000 0.217 923 A C 2.268 179.837 177.584 -0.024 0.000 1.181 923 A CA 1.864 53.902 52.037 0.002 0.000 0.623 923 A CB -0.570 18.442 19.000 0.020 0.000 0.818 923 A HN 0.336 nan 8.150 nan 0.000 0.443 924 A N -0.512 122.253 122.820 -0.091 0.000 1.898 924 A HA 0.002 4.339 4.320 0.027 0.000 0.216 924 A C 2.096 179.611 177.584 -0.115 0.000 1.181 924 A CA 1.711 53.698 52.037 -0.083 0.000 0.620 924 A CB -0.918 18.011 19.000 -0.119 0.000 0.819 924 A HN 0.482 nan 8.150 nan 0.000 0.442 925 V N 0.125 119.847 119.914 -0.319 0.000 2.867 925 V HA -0.136 4.000 4.120 0.027 0.000 0.260 925 V C 2.831 178.854 176.094 -0.119 0.000 1.099 925 V CA 2.249 64.363 62.300 -0.310 0.000 1.122 925 V CB -1.512 30.016 31.823 -0.492 0.000 0.708 925 V HN 0.802 nan 8.190 nan 0.000 0.490 926 E N 0.626 120.811 120.200 -0.025 0.000 2.021 926 E HA -0.164 4.202 4.350 0.027 0.000 0.189 926 E C 2.238 178.959 176.600 0.203 0.000 0.980 926 E CA 1.058 57.513 56.400 0.091 0.000 0.803 926 E CB -0.529 29.256 29.700 0.142 0.000 0.766 926 E HN 0.589 nan 8.360 nan 0.000 0.449 927 R N -1.097 119.517 120.500 0.190 0.000 2.159 927 R HA -0.168 4.188 4.340 0.027 0.000 0.249 927 R C 2.281 178.698 176.300 0.196 0.000 1.136 927 R CA 1.971 58.188 56.100 0.195 0.000 0.951 927 R CB -0.789 29.601 30.300 0.149 0.000 0.876 927 R HN 0.500 nan 8.270 nan 0.000 0.440 928 F N 1.203 121.181 119.950 0.047 0.000 2.154 928 F HA -0.261 4.283 4.527 0.027 0.000 0.301 928 F C 2.092 177.904 175.800 0.020 0.000 1.087 928 F CA 1.551 59.564 58.000 0.020 0.000 1.274 928 F CB -0.004 38.982 39.000 -0.023 0.000 1.009 928 F HN -0.209 nan 8.300 nan 0.000 0.485 929 V N -1.130 118.886 119.914 0.169 0.000 2.379 929 V HA -0.284 3.852 4.120 0.027 0.000 0.245 929 V C 1.902 177.963 176.094 -0.054 0.000 1.044 929 V CA 1.824 64.177 62.300 0.088 0.000 1.036 929 V CB -1.251 30.555 31.823 -0.027 0.000 0.664 929 V HN 0.343 nan 8.190 nan 0.000 0.453 930 Y N 1.583 121.864 120.300 -0.030 0.000 2.084 930 Y HA -0.248 4.318 4.550 0.027 0.000 0.279 930 Y C 3.112 178.919 175.900 -0.155 0.000 1.119 930 Y CA 2.183 60.206 58.100 -0.130 0.000 1.101 930 Y CB -0.610 37.772 38.460 -0.130 0.000 0.989 930 Y HN 0.319 nan 8.280 nan 0.000 0.484 931 S N -0.540 115.216 115.700 0.092 0.000 2.368 931 S HA -0.370 4.116 4.470 0.027 0.000 0.226 931 S C 2.168 176.787 174.600 0.032 0.000 1.044 931 S CA 1.624 59.871 58.200 0.078 0.000 1.062 931 S CB -1.552 61.716 63.200 0.114 0.000 0.931 931 S HN 0.659 nan 8.310 nan 0.000 0.440 932 C N 1.981 121.169 119.300 -0.186 0.000 2.410 932 C HA 0.191 4.668 4.460 0.027 0.000 0.281 932 C C 2.968 177.978 174.990 0.033 0.000 1.318 932 C CA 0.972 59.841 59.018 -0.248 0.000 1.776 932 C CB -1.965 25.399 27.740 -0.626 0.000 1.942 932 C HN 0.734 nan 8.230 nan 0.000 0.508 933 A N 0.201 122.998 122.820 -0.039 0.000 1.935 933 A HA 0.289 4.625 4.320 0.027 0.000 0.214 933 A C 2.428 179.856 177.584 -0.259 0.000 1.178 933 A CA 1.512 53.402 52.037 -0.245 0.000 0.640 933 A CB -1.384 17.290 19.000 -0.544 0.000 0.825 933 A HN 0.629 nan 8.150 nan 0.000 0.447 934 G N -1.068 107.576 108.800 -0.260 0.000 2.511 934 G HA2 -0.259 3.717 3.960 0.027 0.000 0.216 934 G HA3 -0.259 3.717 3.960 0.027 0.000 0.216 934 G C 1.362 176.186 174.900 -0.125 0.000 1.218 934 G CA 1.171 46.068 45.100 -0.338 0.000 0.788 934 G HN 0.535 nan 8.290 nan 0.000 0.560 935 Y N -0.203 120.079 120.300 -0.031 0.000 2.651 935 Y HA -0.111 4.455 4.550 0.027 0.000 0.293 935 Y C 2.696 178.555 175.900 -0.067 0.000 1.151 935 Y CA 0.296 58.374 58.100 -0.036 0.000 1.362 935 Y CB -0.017 38.436 38.460 -0.012 0.000 0.973 935 Y HN 0.227 nan 8.280 nan 0.000 0.561 936 C N -2.443 116.860 119.300 0.005 0.000 2.609 936 C HA 0.024 4.500 4.460 0.027 0.000 0.305 936 C C 2.491 177.250 174.990 -0.384 0.000 1.319 936 C CA 0.102 58.945 59.018 -0.292 0.000 1.793 936 C CB -0.629 26.871 27.740 -0.399 0.000 2.260 936 C HN 0.301 nan 8.230 nan 0.000 0.535 937 V N 1.912 121.747 119.914 -0.132 0.000 2.239 937 V HA -0.123 4.013 4.120 0.027 0.000 0.242 937 V C 2.739 178.917 176.094 0.141 0.000 1.038 937 V CA 2.223 64.542 62.300 0.031 0.000 1.002 937 V CB -1.608 30.208 31.823 -0.011 0.000 0.641 937 V HN 0.516 nan 8.190 nan 0.000 0.449 938 A N 1.532 124.437 122.820 0.141 0.000 1.877 938 A HA -0.385 3.951 4.320 0.027 0.000 0.218 938 A C 2.531 180.168 177.584 0.089 0.000 1.301 938 A CA 4.049 56.143 52.037 0.095 0.000 0.699 938 A CB -1.711 17.320 19.000 0.051 0.000 0.844 938 A HN 0.698 nan 8.150 nan 0.000 0.464 939 T N -2.975 111.639 114.554 0.100 0.000 2.714 939 T HA -0.285 4.081 4.350 0.027 0.000 0.268 939 T C 1.643 176.480 174.700 0.228 0.000 1.036 939 T CA 2.051 64.244 62.100 0.156 0.000 1.148 939 T CB -0.666 68.304 68.868 0.170 0.000 0.856 939 T HN 0.476 nan 8.240 nan 0.000 0.462 940 F N 2.311 122.295 119.950 0.057 0.000 2.095 940 F HA -0.021 4.522 4.527 0.027 0.000 0.298 940 F C 2.313 178.217 175.800 0.174 0.000 1.104 940 F CA 0.670 58.751 58.000 0.134 0.000 1.232 940 F CB -0.785 38.253 39.000 0.064 0.000 0.987 940 F HN 0.051 nan 8.300 nan 0.000 0.475 941 V N 1.012 120.885 119.914 -0.069 0.000 2.261 941 V HA -0.285 3.851 4.120 0.027 0.000 0.246 941 V C 2.318 178.271 176.094 -0.235 0.000 1.047 941 V CA 1.960 64.105 62.300 -0.259 0.000 1.015 941 V CB -0.825 30.922 31.823 -0.128 0.000 0.642 941 V HN 0.327 nan 8.190 nan 0.000 0.446 942 L N 0.929 122.105 121.223 -0.079 0.000 2.711 942 L HA 0.204 4.560 4.340 0.027 0.000 0.242 942 L C 1.583 178.555 176.870 0.170 0.000 1.153 942 L CA 0.696 55.534 54.840 -0.005 0.000 0.898 942 L CB -1.207 40.888 42.059 0.060 0.000 1.044 942 L HN 0.585 nan 8.230 nan 0.000 0.437 943 G N 1.994 110.951 108.800 0.262 0.000 2.305 943 G HA2 -0.299 3.677 3.960 0.027 0.000 0.287 943 G HA3 -0.299 3.677 3.960 0.027 0.000 0.287 943 G C 0.486 175.454 174.900 0.114 0.000 1.036 943 G CA 0.699 45.895 45.100 0.160 0.000 0.887 943 G HN 0.693 nan 8.290 nan 0.000 0.505 944 I N -3.862 116.826 120.570 0.196 0.000 3.241 944 I HA 0.574 4.760 4.170 0.027 0.000 0.333 944 I C 1.253 177.534 176.117 0.274 0.000 1.534 944 I CA -0.068 61.362 61.300 0.217 0.000 0.979 944 I CB 0.234 38.382 38.000 0.247 0.000 1.497 944 I HN 0.007 nan 8.210 nan 0.000 0.530 945 G N 0.687 109.677 108.800 0.317 0.000 2.396 945 G HA2 -0.153 3.823 3.960 0.027 0.000 0.214 945 G HA3 -0.153 3.823 3.960 0.027 0.000 0.214 945 G C 0.558 175.672 174.900 0.356 0.000 1.166 945 G CA 0.309 45.655 45.100 0.409 0.000 0.793 945 G HN 0.446 nan 8.290 nan 0.000 0.533 946 D N 1.264 121.837 120.400 0.288 0.000 2.482 946 D HA 0.123 4.779 4.640 0.027 0.000 0.244 946 D C 0.466 176.807 176.300 0.069 0.000 1.242 946 D CA 0.027 54.180 54.000 0.255 0.000 1.097 946 D CB 0.051 41.050 40.800 0.331 0.000 1.109 946 D HN -0.011 nan 8.370 nan 0.000 0.510 947 R N 1.151 121.655 120.500 0.007 0.000 2.944 947 R HA 0.397 4.753 4.340 0.027 0.000 0.233 947 R C 0.210 176.282 176.300 -0.380 0.000 1.346 947 R CA -0.705 55.255 56.100 -0.234 0.000 1.082 947 R CB 0.611 30.828 30.300 -0.138 0.000 1.434 947 R HN 0.472 nan 8.270 nan 0.000 0.510 948 H N 0.604 119.347 119.070 -0.545 0.000 2.495 948 H HA 0.101 4.673 4.556 0.027 0.000 0.348 948 H C 0.531 175.735 175.328 -0.205 0.000 1.113 948 H CA -0.195 55.618 56.048 -0.392 0.000 1.195 948 H CB 1.480 30.991 29.762 -0.418 0.000 1.521 948 H HN 0.697 nan 8.280 nan 0.000 0.509 949 N N 2.455 120.787 118.700 -0.613 0.000 2.588 949 N HA -0.220 4.536 4.740 0.027 0.000 0.190 949 N C 0.904 176.191 175.510 -0.370 0.000 1.094 949 N CA 1.135 53.933 53.050 -0.421 0.000 0.921 949 N CB 0.093 38.399 38.487 -0.302 0.000 0.959 949 N HN 0.505 nan 8.380 nan 0.000 0.448 950 D N 0.400 120.544 120.400 -0.427 0.000 2.218 950 D HA -0.134 4.522 4.640 0.027 0.000 0.204 950 D C 0.583 176.789 176.300 -0.157 0.000 0.976 950 D CA 0.907 54.834 54.000 -0.121 0.000 0.853 950 D CB -0.168 40.742 40.800 0.183 0.000 0.939 950 D HN 0.303 nan 8.370 nan 0.000 0.481 951 N N -0.583 117.976 118.700 -0.235 0.000 2.200 951 N HA 0.113 4.869 4.740 0.027 0.000 0.224 951 N C -0.743 174.516 175.510 -0.418 0.000 1.179 951 N CA -0.242 52.639 53.050 -0.282 0.000 0.877 951 N CB 1.162 39.490 38.487 -0.265 0.000 1.072 951 N HN 0.119 nan 8.380 nan 0.000 0.519 952 I N 0.639 120.956 120.570 -0.422 0.000 2.562 952 I HA 0.448 4.634 4.170 0.027 0.000 0.301 952 I C 0.294 176.144 176.117 -0.445 0.000 1.003 952 I CA -0.572 60.425 61.300 -0.505 0.000 1.127 952 I CB 1.658 39.426 38.000 -0.385 0.000 1.304 952 I HN -0.195 nan 8.210 nan 0.000 0.446 953 M N 4.943 124.165 119.600 -0.631 0.000 2.744 953 M HA 0.674 5.170 4.480 0.027 0.000 0.283 953 M C -1.496 174.432 176.300 -0.620 0.000 1.275 953 M CA -0.898 53.997 55.300 -0.675 0.000 0.796 953 M CB 3.310 35.341 32.600 -0.948 0.000 1.739 953 M HN 0.496 nan 8.290 nan 0.000 0.454 954 I N 0.308 120.675 120.570 -0.337 0.000 2.731 954 I HA 0.321 4.507 4.170 0.027 0.000 0.289 954 I C -0.668 175.627 176.117 0.297 0.000 1.399 954 I CA -0.302 61.029 61.300 0.052 0.000 1.048 954 I CB 2.156 40.236 38.000 0.134 0.000 1.345 954 I HN 0.821 nan 8.210 nan 0.000 0.425 955 T N 1.888 116.723 114.554 0.467 0.000 2.802 955 T HA 0.209 4.575 4.350 0.027 0.000 0.305 955 T C 0.897 175.859 174.700 0.437 0.000 1.053 955 T CA -0.291 62.062 62.100 0.423 0.000 1.058 955 T CB 1.031 70.093 68.868 0.324 0.000 0.988 955 T HN 0.740 nan 8.240 nan 0.000 0.539 956 E N 0.575 120.991 120.200 0.360 0.000 2.160 956 E HA -0.123 4.243 4.350 0.027 0.000 0.195 956 E C 1.860 178.555 176.600 0.157 0.000 0.991 956 E CA 1.544 58.065 56.400 0.202 0.000 0.810 956 E CB -0.253 29.479 29.700 0.053 0.000 0.742 956 E HN 0.893 nan 8.360 nan 0.000 0.466 957 T N -2.802 111.852 114.554 0.166 0.000 3.317 957 T HA 0.294 4.661 4.350 0.027 0.000 0.250 957 T C 1.222 176.007 174.700 0.141 0.000 1.106 957 T CA 0.299 62.472 62.100 0.121 0.000 0.986 957 T CB 0.492 69.418 68.868 0.097 0.000 1.010 957 T HN 0.266 nan 8.240 nan 0.000 0.560 958 G N 1.083 110.010 108.800 0.211 0.000 2.176 958 G HA2 -0.242 3.734 3.960 0.027 0.000 0.232 958 G HA3 -0.242 3.734 3.960 0.027 0.000 0.232 958 G C -0.044 175.032 174.900 0.293 0.000 0.986 958 G CA -0.300 44.944 45.100 0.240 0.000 0.643 958 G HN 0.656 nan 8.290 nan 0.000 0.522 959 N N 0.438 119.303 118.700 0.275 0.000 2.444 959 N HA 0.538 5.294 4.740 0.027 0.000 0.271 959 N C -0.447 175.278 175.510 0.359 0.000 1.069 959 N CA -0.300 52.914 53.050 0.273 0.000 0.965 959 N CB 1.189 39.816 38.487 0.234 0.000 1.092 959 N HN 0.353 nan 8.380 nan 0.000 0.476 960 L N 5.411 126.787 121.223 0.256 0.000 2.307 960 L HA 0.694 5.050 4.340 0.027 0.000 0.284 960 L C -1.251 175.748 176.870 0.216 0.000 1.023 960 L CA -0.513 54.395 54.840 0.113 0.000 0.810 960 L CB 0.407 42.304 42.059 -0.270 0.000 1.231 960 L HN 0.502 nan 8.230 nan 0.000 0.423 961 F N 1.128 120.918 119.950 -0.266 0.000 2.672 961 F HA 0.499 5.042 4.527 0.027 0.000 0.311 961 F C -0.717 174.849 175.800 -0.390 0.000 1.113 961 F CA -1.100 56.494 58.000 -0.676 0.000 0.996 961 F CB 0.480 39.351 39.000 -0.215 0.000 1.286 961 F HN 0.482 nan 8.300 nan 0.000 0.441 962 H N 2.762 121.446 119.070 -0.643 0.000 2.703 962 H HA 0.754 5.327 4.556 0.027 0.000 0.377 962 H C 0.450 175.670 175.328 -0.180 0.000 1.392 962 H CA 0.355 56.190 56.048 -0.355 0.000 1.458 962 H CB 0.627 30.243 29.762 -0.243 0.000 1.529 962 H HN 0.816 nan 8.280 nan 0.000 0.619 963 I N -3.796 116.618 120.570 -0.260 0.000 3.395 963 I HA 0.305 4.491 4.170 0.027 0.000 0.318 963 I C -0.910 174.922 176.117 -0.475 0.000 1.262 963 I CA -1.378 59.764 61.300 -0.263 0.000 0.910 963 I CB 1.613 39.466 38.000 -0.245 0.000 1.329 963 I HN 0.399 nan 8.210 nan 0.000 0.485 964 D N 1.414 121.682 120.400 -0.220 0.000 3.514 964 D HA -0.237 4.419 4.640 0.027 0.000 0.213 964 D C -1.352 174.815 176.300 -0.221 0.000 1.118 964 D CA 1.008 54.929 54.000 -0.132 0.000 1.071 964 D CB -0.609 40.124 40.800 -0.111 0.000 0.781 964 D HN 0.497 nan 8.370 nan 0.000 0.384 965 F N 1.699 121.713 119.950 0.106 0.000 2.441 965 F HA 0.427 4.971 4.527 0.027 0.000 0.337 965 F C 1.748 177.574 175.800 0.044 0.000 1.182 965 F CA -0.155 57.892 58.000 0.080 0.000 1.279 965 F CB 1.228 40.276 39.000 0.080 0.000 1.614 965 F HN 0.360 nan 8.300 nan 0.000 0.574 966 G N -0.523 108.363 108.800 0.142 0.000 3.448 966 G HA2 0.296 4.272 3.960 0.027 0.000 0.261 966 G HA3 0.296 4.272 3.960 0.027 0.000 0.261 966 G C 0.405 175.351 174.900 0.077 0.000 1.173 966 G CA 0.286 45.440 45.100 0.091 0.000 0.835 966 G HN 0.633 nan 8.290 nan 0.000 0.534 981 E N 0.542 120.709 120.200 -0.056 0.000 2.175 981 E HA 0.654 5.020 4.350 0.027 0.000 0.278 981 E C -0.025 176.568 176.600 -0.011 0.000 0.969 981 E CA -0.075 56.311 56.400 -0.024 0.000 0.796 981 E CB 0.938 30.623 29.700 -0.024 0.000 1.104 981 E HN 1.433 nan 8.360 nan 0.000 0.395 982 R N 0.814 121.339 120.500 0.041 0.000 2.514 982 R HA 0.808 5.164 4.340 0.027 0.000 0.301 982 R C -0.556 175.803 176.300 0.097 0.000 0.962 982 R CA -0.234 55.926 56.100 0.100 0.000 0.882 982 R CB 1.346 31.720 30.300 0.123 0.000 1.143 982 R HN 1.050 nan 8.270 nan 0.000 0.452 983 V N 5.061 125.060 119.914 0.142 0.000 2.417 983 V HA 0.474 4.610 4.120 0.027 0.000 0.291 983 V C -1.839 174.344 176.094 0.148 0.000 1.024 983 V CA -2.213 60.140 62.300 0.088 0.000 0.861 983 V CB 2.432 34.298 31.823 0.071 0.000 0.985 983 V HN 0.820 nan 8.190 nan 0.000 0.436 984 P HA -0.023 nan 4.420 nan 0.000 0.217 984 P C -0.342 177.289 177.300 0.553 0.000 1.148 984 P CA 1.486 64.773 63.100 0.312 0.000 0.828 984 P CB -0.003 31.783 31.700 0.144 0.000 0.783 985 F N -7.421 112.613 119.950 0.139 0.000 2.900 985 F HA 0.382 4.925 4.527 0.027 0.000 0.321 985 F C -1.362 174.531 175.800 0.155 0.000 1.160 985 F CA -1.579 56.532 58.000 0.185 0.000 0.890 985 F CB 0.594 39.721 39.000 0.212 0.000 1.334 985 F HN -0.591 nan 8.300 nan 0.000 0.459 986 V N 2.702 122.834 119.914 0.364 0.000 2.313 986 V HA 0.278 4.414 4.120 0.027 0.000 0.252 986 V C -0.528 175.753 176.094 0.311 0.000 1.112 986 V CA -0.007 62.424 62.300 0.218 0.000 0.984 986 V CB 0.395 32.345 31.823 0.212 0.000 1.157 986 V HN 0.560 nan 8.190 nan 0.000 0.493 987 L N 6.738 127.985 121.223 0.039 0.000 2.502 987 L HA 0.485 4.841 4.340 0.027 0.000 0.247 987 L C 0.624 177.401 176.870 -0.155 0.000 1.180 987 L CA 0.071 54.988 54.840 0.129 0.000 0.956 987 L CB 1.030 43.054 42.059 -0.058 0.000 1.282 987 L HN 0.655 nan 8.230 nan 0.000 0.470 988 T N 0.354 114.642 114.554 -0.443 0.000 2.913 988 T HA 0.416 4.782 4.350 0.027 0.000 0.287 988 T C -1.788 172.423 174.700 -0.815 0.000 1.008 988 T CA -1.805 59.759 62.100 -0.893 0.000 1.067 988 T CB 1.029 69.060 68.868 -1.395 0.000 0.996 988 T HN 0.207 nan 8.240 nan 0.000 0.513 989 P HA -0.184 nan 4.420 nan 0.000 0.220 989 P C 1.142 178.377 177.300 -0.108 0.000 1.142 989 P CA 1.158 64.079 63.100 -0.299 0.000 0.801 989 P CB -0.041 31.588 31.700 -0.118 0.000 0.764 990 D N -2.410 117.820 120.400 -0.284 0.000 2.317 990 D HA -0.103 4.553 4.640 0.027 0.000 0.211 990 D C 1.404 177.723 176.300 0.031 0.000 0.966 990 D CA 0.758 54.724 54.000 -0.057 0.000 0.876 990 D CB -0.756 40.048 40.800 0.006 0.000 0.927 990 D HN 0.156 nan 8.370 nan 0.000 0.519 991 F N 1.182 121.175 119.950 0.071 0.000 2.188 991 F HA 0.201 4.744 4.527 0.027 0.000 0.289 991 F C 2.540 178.405 175.800 0.109 0.000 1.082 991 F CA -0.235 57.875 58.000 0.183 0.000 1.282 991 F CB -1.117 38.083 39.000 0.334 0.000 1.060 991 F HN -0.161 nan 8.300 nan 0.000 0.493 992 L N -0.693 120.676 121.223 0.242 0.000 2.034 992 L HA -0.323 4.033 4.340 0.027 0.000 0.217 992 L C 2.508 179.454 176.870 0.127 0.000 1.077 992 L CA 1.913 56.830 54.840 0.128 0.000 0.769 992 L CB -1.059 41.020 42.059 0.034 0.000 0.890 992 L HN 0.097 nan 8.230 nan 0.000 0.435 993 F N 0.406 120.365 119.950 0.016 0.000 2.087 993 F HA -0.291 4.252 4.527 0.027 0.000 0.299 993 F C 2.329 178.130 175.800 0.002 0.000 1.100 993 F CA 1.961 59.968 58.000 0.010 0.000 1.226 993 F CB -0.206 38.804 39.000 0.017 0.000 0.983 993 F HN -0.239 nan 8.300 nan 0.000 0.479 994 V N 0.554 120.615 119.914 0.245 0.000 2.490 994 V HA -0.337 3.799 4.120 0.027 0.000 0.250 994 V C 2.234 178.309 176.094 -0.033 0.000 1.061 994 V CA 2.102 64.432 62.300 0.050 0.000 1.064 994 V CB -0.553 31.088 31.823 -0.302 0.000 0.670 994 V HN 0.415 nan 8.190 nan 0.000 0.461 995 M N -0.258 119.356 119.600 0.024 0.000 2.619 995 M HA 0.181 4.677 4.480 0.027 0.000 0.251 995 M C 1.225 177.592 176.300 0.112 0.000 1.106 995 M CA 1.001 56.357 55.300 0.093 0.000 1.086 995 M CB -0.187 32.508 32.600 0.159 0.000 1.465 995 M HN 0.517 nan 8.290 nan 0.000 0.506 996 G N 2.384 111.163 108.800 -0.035 0.000 2.531 996 G HA2 -0.167 3.809 3.960 0.027 0.000 0.283 996 G HA3 -0.167 3.809 3.960 0.027 0.000 0.283 996 G C -0.412 174.412 174.900 -0.127 0.000 1.068 996 G CA 0.085 45.097 45.100 -0.146 0.000 1.273 996 G HN 0.383 nan 8.290 nan 0.000 0.532 997 T N -0.332 114.125 114.554 -0.161 0.000 2.830 997 T HA 0.749 5.115 4.350 0.027 0.000 0.322 997 T C -0.576 174.055 174.700 -0.115 0.000 1.501 997 T CA -0.040 61.967 62.100 -0.154 0.000 1.036 997 T CB 2.129 70.871 68.868 -0.211 0.000 1.379 997 T HN 0.895 nan 8.240 nan 0.000 0.493 998 S N 0.224 115.861 115.700 -0.106 0.000 2.572 998 S HA 0.667 5.153 4.470 0.027 0.000 0.274 998 S C 0.856 175.420 174.600 -0.061 0.000 1.150 998 S CA 0.004 58.177 58.200 -0.045 0.000 0.944 998 S CB 1.560 64.751 63.200 -0.015 0.000 1.071 998 S HN 1.454 nan 8.310 nan 0.000 0.479 999 G N 2.454 111.229 108.800 -0.042 0.000 5.059 999 G HA2 -0.232 3.744 3.960 0.027 0.000 0.336 999 G HA3 -0.232 3.744 3.960 0.027 0.000 0.336 999 G C 0.264 175.115 174.900 -0.082 0.000 1.364 999 G CA 1.071 46.143 45.100 -0.047 0.000 1.020 999 G HN 1.666 nan 8.290 nan 0.000 0.807 1000 K N -0.291 120.052 120.400 -0.095 0.000 3.262 1000 K HA 0.865 5.201 4.320 0.027 0.000 0.166 1000 K C -0.069 176.447 176.600 -0.139 0.000 1.091 1000 K CA 1.349 57.566 56.287 -0.117 0.000 0.798 1000 K CB 0.330 32.783 32.500 -0.079 0.000 0.953 1000 K HN 1.815 nan 8.250 nan 0.000 0.588 1001 K N -0.516 119.766 120.400 -0.197 0.000 2.246 1001 K HA 0.958 5.294 4.320 0.027 0.000 0.239 1001 K C 0.402 176.813 176.600 -0.315 0.000 1.089 1001 K CA 0.149 56.319 56.287 -0.195 0.000 0.892 1001 K CB 1.086 33.496 32.500 -0.150 0.000 1.334 1001 K HN 1.168 nan 8.250 nan 0.000 0.507 1002 T N -2.418 111.998 114.554 -0.231 0.000 2.812 1002 T HA 0.768 5.134 4.350 0.027 0.000 0.294 1002 T C -0.597 174.056 174.700 -0.078 0.000 1.159 1002 T CA 0.347 62.304 62.100 -0.239 0.000 1.008 1002 T CB 1.263 70.078 68.868 -0.088 0.000 1.289 1002 T HN 1.897 nan 8.240 nan 0.000 0.514 1003 S N -0.310 115.416 115.700 0.043 0.000 2.615 1003 S HA 0.571 5.057 4.470 0.027 0.000 0.268 1003 S C -2.718 171.940 174.600 0.098 0.000 1.146 1003 S CA -1.000 57.233 58.200 0.054 0.000 0.818 1003 S CB 0.898 64.123 63.200 0.041 0.000 1.111 1003 S HN 0.509 nan 8.310 nan 0.000 0.465 1004 P HA -0.052 nan 4.420 nan 0.000 0.222 1004 P C 0.939 178.191 177.300 -0.080 0.000 1.147 1004 P CA 1.306 64.360 63.100 -0.076 0.000 0.790 1004 P CB -0.111 31.471 31.700 -0.197 0.000 0.780 1005 H N -2.080 117.044 119.070 0.091 0.000 2.320 1005 H HA 0.073 4.645 4.556 0.027 0.000 0.309 1005 H C 1.842 177.258 175.328 0.148 0.000 1.057 1005 H CA 0.863 56.967 56.048 0.093 0.000 1.374 1005 H CB -1.135 28.681 29.762 0.090 0.000 1.421 1005 H HN 0.111 nan 8.280 nan 0.000 0.532 1006 F N 2.474 122.526 119.950 0.171 0.000 2.202 1006 F HA -0.260 4.284 4.527 0.027 0.000 0.301 1006 F C 2.667 178.563 175.800 0.160 0.000 1.082 1006 F CA 2.155 60.227 58.000 0.120 0.000 1.313 1006 F CB -0.367 38.650 39.000 0.028 0.000 1.024 1006 F HN 0.180 nan 8.300 nan 0.000 0.495 1007 Q N 0.903 120.867 119.800 0.272 0.000 2.172 1007 Q HA -0.167 4.190 4.340 0.027 0.000 0.200 1007 Q C 2.254 178.260 176.000 0.010 0.000 0.964 1007 Q CA 1.720 57.602 55.803 0.132 0.000 0.855 1007 Q CB -0.868 27.963 28.738 0.155 0.000 0.918 1007 Q HN 0.631 nan 8.270 nan 0.000 0.444 1008 K N -1.003 119.419 120.400 0.037 0.000 2.026 1008 K HA -0.071 4.265 4.320 0.027 0.000 0.208 1008 K C 1.901 178.464 176.600 -0.060 0.000 1.048 1008 K CA 1.523 57.803 56.287 -0.012 0.000 0.929 1008 K CB -0.346 32.164 32.500 0.017 0.000 0.713 1008 K HN 0.545 nan 8.250 nan 0.000 0.439 1009 F N 1.744 121.571 119.950 -0.204 0.000 2.186 1009 F HA -0.180 4.363 4.527 0.027 0.000 0.299 1009 F C 2.049 177.691 175.800 -0.264 0.000 1.090 1009 F CA 1.341 59.196 58.000 -0.242 0.000 1.307 1009 F CB 0.058 38.932 39.000 -0.210 0.000 1.019 1009 F HN 0.109 nan 8.300 nan 0.000 0.489 1010 Q N -0.024 119.701 119.800 -0.125 0.000 2.224 1010 Q HA -0.195 4.161 4.340 0.027 0.000 0.203 1010 Q C 1.786 177.704 176.000 -0.137 0.000 0.970 1010 Q CA 1.367 57.080 55.803 -0.150 0.000 0.865 1010 Q CB -0.260 28.374 28.738 -0.174 0.000 0.922 1010 Q HN 0.467 nan 8.270 nan 0.000 0.445 1011 D N 0.700 121.020 120.400 -0.132 0.000 2.078 1011 D HA -0.122 4.534 4.640 0.027 0.000 0.193 1011 D C 1.886 178.087 176.300 -0.166 0.000 0.990 1011 D CA 1.052 54.987 54.000 -0.109 0.000 0.827 1011 D CB 0.027 40.780 40.800 -0.079 0.000 0.975 1011 D HN 0.195 nan 8.370 nan 0.000 0.451 1012 I N 0.607 121.031 120.570 -0.244 0.000 2.142 1012 I HA -0.294 3.892 4.170 0.027 0.000 0.240 1012 I C 2.807 178.696 176.117 -0.379 0.000 1.078 1012 I CA 0.533 61.655 61.300 -0.296 0.000 1.343 1012 I CB -0.591 37.184 38.000 -0.376 0.000 1.046 1012 I HN 0.102 nan 8.210 nan 0.000 0.405 1013 C N 0.758 119.760 119.300 -0.497 0.000 2.353 1013 C HA -0.206 4.270 4.460 0.027 0.000 0.272 1013 C C 2.937 177.621 174.990 -0.510 0.000 1.165 1013 C CA 1.348 60.044 59.018 -0.536 0.000 1.786 1013 C CB -0.981 26.516 27.740 -0.404 0.000 2.071 1013 C HN 0.416 nan 8.230 nan 0.000 0.451 1014 V N 0.349 120.066 119.914 -0.328 0.000 2.453 1014 V HA -0.189 3.947 4.120 0.027 0.000 0.247 1014 V C 2.328 178.330 176.094 -0.154 0.000 1.048 1014 V CA 1.821 63.991 62.300 -0.217 0.000 1.049 1014 V CB -0.700 31.090 31.823 -0.055 0.000 0.672 1014 V HN 0.551 nan 8.190 nan 0.000 0.457 1015 K N 0.661 120.967 120.400 -0.155 0.000 2.074 1015 K HA -0.214 4.123 4.320 0.027 0.000 0.209 1015 K C 2.233 178.750 176.600 -0.138 0.000 1.048 1015 K CA 1.790 58.005 56.287 -0.120 0.000 0.926 1015 K CB -0.389 32.040 32.500 -0.118 0.000 0.713 1015 K HN 0.516 nan 8.250 nan 0.000 0.444 1016 A N -0.076 122.599 122.820 -0.241 0.000 1.975 1016 A HA -0.120 4.216 4.320 0.027 0.000 0.215 1016 A C 1.940 179.568 177.584 0.074 0.000 1.170 1016 A CA 0.760 52.651 52.037 -0.243 0.000 0.656 1016 A CB -0.436 18.178 19.000 -0.642 0.000 0.821 1016 A HN 0.377 nan 8.150 nan 0.000 0.449 1017 Y N 0.749 120.883 120.300 -0.277 0.000 2.130 1017 Y HA -0.052 4.515 4.550 0.027 0.000 0.287 1017 Y C 1.901 177.676 175.900 -0.210 0.000 1.124 1017 Y CA 1.538 59.466 58.100 -0.285 0.000 1.118 1017 Y CB -0.612 37.495 38.460 -0.587 0.000 0.994 1017 Y HN 0.179 nan 8.280 nan 0.000 0.497 1018 L N 0.142 121.167 121.223 -0.329 0.000 2.043 1018 L HA -0.267 4.089 4.340 0.027 0.000 0.212 1018 L C 2.777 179.245 176.870 -0.671 0.000 1.075 1018 L CA 1.304 55.841 54.840 -0.505 0.000 0.752 1018 L CB -1.194 40.688 42.059 -0.296 0.000 0.891 1018 L HN 0.343 nan 8.230 nan 0.000 0.432 1019 A N 0.373 122.987 122.820 -0.343 0.000 1.917 1019 A HA -0.211 4.125 4.320 0.027 0.000 0.219 1019 A C 2.260 179.673 177.584 -0.285 0.000 1.182 1019 A CA 1.799 53.725 52.037 -0.185 0.000 0.633 1019 A CB -0.730 18.350 19.000 0.134 0.000 0.819 1019 A HN 0.398 nan 8.150 nan 0.000 0.448 1020 L N -1.580 119.501 121.223 -0.237 0.000 2.027 1020 L HA -0.148 4.208 4.340 0.027 0.000 0.206 1020 L C 2.735 179.446 176.870 -0.265 0.000 1.074 1020 L CA 1.382 56.068 54.840 -0.256 0.000 0.745 1020 L CB -0.635 41.320 42.059 -0.174 0.000 0.898 1020 L HN 0.325 nan 8.230 nan 0.000 0.433 1021 R N -0.499 119.756 120.500 -0.408 0.000 2.204 1021 R HA -0.236 4.120 4.340 0.027 0.000 0.253 1021 R C 2.092 178.284 176.300 -0.180 0.000 1.172 1021 R CA 1.728 57.608 56.100 -0.366 0.000 0.994 1021 R CB -0.647 29.346 30.300 -0.511 0.000 0.874 1021 R HN 0.576 nan 8.270 nan 0.000 0.462 1022 H N -1.367 117.662 119.070 -0.068 0.000 2.293 1022 H HA -0.074 4.498 4.556 0.026 0.000 0.300 1022 H C 0.850 176.318 175.328 0.234 0.000 1.082 1022 H CA 0.943 57.031 56.048 0.066 0.000 1.308 1022 H CB -0.012 29.792 29.762 0.070 0.000 1.375 1022 H HN 0.246 nan 8.280 nan 0.000 0.495 1023 H N 0.316 119.398 119.070 0.020 0.000 2.770 1023 H HA 0.085 4.658 4.556 0.027 0.000 0.315 1023 H C 1.295 176.585 175.328 -0.063 0.000 1.127 1023 H CA -0.150 55.880 56.048 -0.031 0.000 1.155 1023 H CB -0.527 29.203 29.762 -0.053 0.000 1.397 1023 H HN 0.288 nan 8.280 nan 0.000 0.538 1024 T N 0.515 115.094 114.554 0.043 0.000 2.570 1024 T HA -0.219 4.147 4.350 0.027 0.000 0.266 1024 T C 1.931 176.626 174.700 -0.009 0.000 1.071 1024 T CA 1.816 63.903 62.100 -0.022 0.000 1.172 1024 T CB 0.035 68.877 68.868 -0.042 0.000 0.864 1024 T HN 0.477 nan 8.240 nan 0.000 0.421 1025 N N 1.120 119.817 118.700 -0.004 0.000 2.094 1025 N HA -0.073 4.683 4.740 0.027 0.000 0.191 1025 N C 1.633 177.143 175.510 0.001 0.000 1.023 1025 N CA 0.688 53.736 53.050 -0.003 0.000 0.857 1025 N CB -0.705 37.776 38.487 -0.011 0.000 1.013 1025 N HN 0.240 nan 8.380 nan 0.000 0.426 1026 L N 0.359 121.576 121.223 -0.010 0.000 2.131 1026 L HA 0.009 4.365 4.340 0.027 0.000 0.210 1026 L C 1.682 178.572 176.870 0.033 0.000 1.092 1026 L CA 1.339 56.180 54.840 0.002 0.000 0.759 1026 L CB -0.304 41.753 42.059 -0.003 0.000 0.903 1026 L HN 0.162 nan 8.230 nan 0.000 0.435 1027 L N -1.414 119.822 121.223 0.022 0.000 2.127 1027 L HA -0.090 4.266 4.340 0.027 0.000 0.203 1027 L C 2.466 179.366 176.870 0.051 0.000 1.080 1027 L CA 0.735 55.583 54.840 0.013 0.000 0.768 1027 L CB -0.354 41.677 42.059 -0.048 0.000 0.924 1027 L HN 0.191 nan 8.230 nan 0.000 0.444 1028 I N -0.137 120.456 120.570 0.039 0.000 2.194 1028 I HA -0.334 3.853 4.170 0.027 0.000 0.246 1028 I C 2.463 178.663 176.117 0.139 0.000 1.093 1028 I CA 1.386 62.744 61.300 0.097 0.000 1.355 1028 I CB -0.226 37.808 38.000 0.057 0.000 1.046 1028 I HN 0.268 nan 8.210 nan 0.000 0.413 1029 I N 0.674 121.295 120.570 0.085 0.000 2.676 1029 I HA -0.167 4.019 4.170 0.027 0.000 0.259 1029 I C 2.288 178.451 176.117 0.077 0.000 1.194 1029 I CA 1.335 62.676 61.300 0.069 0.000 1.473 1029 I CB -0.333 37.693 38.000 0.043 0.000 1.096 1029 I HN 0.216 nan 8.210 nan 0.000 0.443 1030 L N -1.151 120.131 121.223 0.097 0.000 2.131 1030 L HA -0.192 4.164 4.340 0.027 0.000 0.206 1030 L C 2.417 179.360 176.870 0.121 0.000 1.087 1030 L CA 0.857 55.755 54.840 0.096 0.000 0.767 1030 L CB -0.560 41.553 42.059 0.091 0.000 0.917 1030 L HN 0.118 nan 8.230 nan 0.000 0.441 1031 F N 0.455 120.400 119.950 -0.007 0.000 2.084 1031 F HA -0.242 4.301 4.527 0.026 0.000 0.296 1031 F C 2.893 178.697 175.800 0.006 0.000 1.111 1031 F CA 1.643 59.641 58.000 -0.004 0.000 1.224 1031 F CB -0.519 38.482 39.000 0.002 0.000 0.991 1031 F HN 0.013 nan 8.300 nan 0.000 0.471 1032 S N 0.335 116.028 115.700 -0.011 0.000 2.359 1032 S HA -0.284 4.202 4.470 0.027 0.000 0.224 1032 S C 2.160 176.695 174.600 -0.108 0.000 1.035 1032 S CA 1.917 60.046 58.200 -0.119 0.000 1.018 1032 S CB -0.491 62.703 63.200 -0.010 0.000 0.876 1032 S HN 0.528 nan 8.310 nan 0.000 0.448 1033 M N 0.375 119.963 119.600 -0.021 0.000 2.394 1033 M HA 0.036 4.532 4.480 0.027 0.000 0.264 1033 M C 2.275 178.580 176.300 0.007 0.000 1.073 1033 M CA 1.189 56.520 55.300 0.053 0.000 1.111 1033 M CB -0.251 32.415 32.600 0.110 0.000 1.401 1033 M HN 0.563 nan 8.290 nan 0.000 0.448 1034 M N 0.433 119.992 119.600 -0.068 0.000 2.156 1034 M HA -0.164 4.332 4.480 0.027 0.000 0.264 1034 M C 1.732 177.949 176.300 -0.138 0.000 1.067 1034 M CA 1.676 56.915 55.300 -0.101 0.000 1.131 1034 M CB -0.010 32.531 32.600 -0.098 0.000 1.368 1034 M HN 0.221 nan 8.290 nan 0.000 0.416 1035 L N 0.178 121.273 121.223 -0.214 0.000 2.017 1035 L HA -0.202 4.154 4.340 0.027 0.000 0.208 1035 L C 2.571 179.370 176.870 -0.117 0.000 1.073 1035 L CA 1.403 56.119 54.840 -0.207 0.000 0.745 1035 L CB -0.632 41.245 42.059 -0.304 0.000 0.894 1035 L HN 0.398 nan 8.230 nan 0.000 0.432 1036 M N -0.899 118.661 119.600 -0.067 0.000 2.394 1036 M HA -0.092 4.404 4.480 0.027 0.000 0.264 1036 M C 1.771 178.069 176.300 -0.003 0.000 1.073 1036 M CA 1.789 57.094 55.300 0.010 0.000 1.111 1036 M CB -0.396 32.282 32.600 0.131 0.000 1.401 1036 M HN 0.420 nan 8.290 nan 0.000 0.448 1037 T N -4.272 110.253 114.554 -0.047 0.000 3.084 1037 T HA 0.396 4.762 4.350 0.027 0.000 0.270 1037 T C 1.042 175.665 174.700 -0.128 0.000 1.008 1037 T CA 0.313 62.336 62.100 -0.129 0.000 0.900 1037 T CB 0.548 69.300 68.868 -0.193 0.000 1.084 1037 T HN 0.363 nan 8.240 nan 0.000 0.538 1038 G N 0.981 109.717 108.800 -0.106 0.000 2.453 1038 G HA2 0.352 4.328 3.960 0.027 0.000 0.184 1038 G HA3 0.352 4.328 3.960 0.027 0.000 0.184 1038 G C 0.109 174.962 174.900 -0.079 0.000 1.342 1038 G CA -0.379 44.661 45.100 -0.100 0.000 0.771 1038 G HN 0.416 nan 8.290 nan 0.000 0.956 1039 M N 2.694 122.246 119.600 -0.080 0.000 2.561 1039 M HA 0.403 4.899 4.480 0.027 0.000 0.266 1039 M C -2.440 173.826 176.300 -0.057 0.000 1.080 1039 M CA -1.704 53.560 55.300 -0.061 0.000 0.993 1039 M CB 1.800 34.361 32.600 -0.065 0.000 1.303 1039 M HN -0.124 nan 8.290 nan 0.000 0.462 1043 T N -1.548 112.974 114.554 -0.053 0.000 2.620 1043 T HA -0.162 4.204 4.350 0.027 0.000 0.267 1043 T C 1.313 175.990 174.700 -0.038 0.000 1.044 1043 T CA 1.913 63.985 62.100 -0.046 0.000 1.161 1043 T CB -0.709 68.139 68.868 -0.032 0.000 0.862 1043 T HN 1.504 nan 8.240 nan 0.000 0.438 1044 S N 1.223 116.909 115.700 -0.024 0.000 2.548 1044 S HA 0.493 4.979 4.470 0.027 0.000 0.277 1044 S C 1.406 176.001 174.600 -0.008 0.000 1.315 1044 S CA 0.077 58.272 58.200 -0.008 0.000 1.050 1044 S CB 1.037 64.244 63.200 0.010 0.000 0.918 1044 S HN 0.699 nan 8.310 nan 0.000 0.497 1045 K N 2.792 123.191 120.400 -0.002 0.000 2.288 1045 K HA 0.075 4.411 4.320 0.027 0.000 0.201 1045 K C 2.028 178.650 176.600 0.036 0.000 1.048 1045 K CA 1.599 57.889 56.287 0.005 0.000 0.956 1045 K CB -1.644 30.855 32.500 -0.001 0.000 0.746 1045 K HN 0.909 nan 8.250 nan 0.000 0.461 1046 E N 1.728 121.955 120.200 0.044 0.000 2.347 1046 E HA -0.146 4.220 4.350 0.027 0.000 0.196 1046 E C 1.750 178.413 176.600 0.104 0.000 1.008 1046 E CA 0.989 57.432 56.400 0.071 0.000 0.852 1046 E CB -0.555 29.182 29.700 0.062 0.000 0.783 1046 E HN 0.676 nan 8.360 nan 0.000 0.505 1047 D N -0.080 120.369 120.400 0.082 0.000 2.219 1047 D HA -0.045 4.611 4.640 0.027 0.000 0.205 1047 D C 1.887 178.321 176.300 0.223 0.000 0.970 1047 D CA 0.967 55.028 54.000 0.102 0.000 0.851 1047 D CB 0.127 40.940 40.800 0.022 0.000 0.943 1047 D HN 0.593 nan 8.370 nan 0.000 0.488 1048 I N 0.068 120.760 120.570 0.202 0.000 2.731 1048 I HA -0.059 4.127 4.170 0.027 0.000 0.260 1048 I C 1.762 178.061 176.117 0.304 0.000 1.138 1048 I CA 0.172 61.680 61.300 0.347 0.000 1.461 1048 I CB -0.143 37.958 38.000 0.169 0.000 1.128 1048 I HN -0.243 nan 8.210 nan 0.000 0.438 1049 E N 0.913 121.225 120.200 0.186 0.000 2.444 1049 E HA -0.270 4.096 4.350 0.027 0.000 0.205 1049 E C 1.542 178.238 176.600 0.159 0.000 1.054 1049 E CA 1.099 57.580 56.400 0.134 0.000 0.873 1049 E CB -0.375 29.388 29.700 0.104 0.000 0.793 1049 E HN 0.512 nan 8.360 nan 0.000 0.549 1050 Y N 0.352 120.717 120.300 0.109 0.000 2.090 1050 Y HA -0.179 4.387 4.550 0.027 0.000 0.274 1050 Y C 2.059 177.940 175.900 -0.032 0.000 1.110 1050 Y CA 1.807 59.946 58.100 0.066 0.000 1.092 1050 Y CB -0.767 37.761 38.460 0.112 0.000 0.992 1050 Y HN 0.110 nan 8.280 nan 0.000 0.479 1051 I N 0.359 120.715 120.570 -0.357 0.000 2.315 1051 I HA -0.364 3.822 4.170 0.027 0.000 0.251 1051 I C 2.661 178.547 176.117 -0.384 0.000 1.125 1051 I CA 1.507 62.411 61.300 -0.659 0.000 1.392 1051 I CB -0.351 37.192 38.000 -0.762 0.000 1.065 1051 I HN 0.320 nan 8.210 nan 0.000 0.424 1052 R N 0.935 121.327 120.500 -0.181 0.000 2.143 1052 R HA -0.262 4.094 4.340 0.027 0.000 0.239 1052 R C 1.921 178.123 176.300 -0.164 0.000 1.126 1052 R CA 2.728 58.757 56.100 -0.117 0.000 0.927 1052 R CB -0.390 29.889 30.300 -0.035 0.000 0.860 1052 R HN 0.477 nan 8.270 nan 0.000 0.433 1053 D N -0.484 119.813 120.400 -0.172 0.000 2.178 1053 D HA -0.111 4.545 4.640 0.027 0.000 0.202 1053 D C 1.613 177.793 176.300 -0.200 0.000 0.974 1053 D CA 1.351 55.263 54.000 -0.147 0.000 0.841 1053 D CB -0.203 40.571 40.800 -0.043 0.000 0.953 1053 D HN 0.434 nan 8.370 nan 0.000 0.478 1054 A N 0.398 122.965 122.820 -0.421 0.000 2.119 1054 A HA -0.001 4.335 4.320 0.027 0.000 0.217 1054 A C 2.154 179.664 177.584 -0.123 0.000 1.153 1054 A CA 0.539 52.289 52.037 -0.477 0.000 0.692 1054 A CB -0.369 17.918 19.000 -1.189 0.000 0.799 1054 A HN 0.184 nan 8.150 nan 0.000 0.458 1055 L N -1.532 119.594 121.223 -0.161 0.000 2.616 1055 L HA 0.085 4.442 4.340 0.027 0.000 0.229 1055 L C 1.004 177.812 176.870 -0.103 0.000 1.110 1055 L CA 0.484 55.273 54.840 -0.086 0.000 0.884 1055 L CB 0.130 42.089 42.059 -0.167 0.000 1.115 1055 L HN 0.358 nan 8.230 nan 0.000 0.481 1056 T N 1.114 115.581 114.554 -0.146 0.000 2.964 1056 T HA -0.142 4.224 4.350 0.027 0.000 0.458 1056 T C 0.058 174.675 174.700 -0.138 0.000 0.776 1056 T CA 0.308 62.285 62.100 -0.205 0.000 2.376 1056 T CB -1.067 67.582 68.868 -0.365 0.000 1.655 1056 T HN 0.234 nan 8.240 nan 0.000 0.574 1057 V N 2.378 122.227 119.914 -0.109 0.000 2.811 1057 V HA 0.750 4.886 4.120 0.027 0.000 0.302 1057 V C 1.623 177.683 176.094 -0.057 0.000 1.063 1057 V CA 0.316 62.569 62.300 -0.079 0.000 1.088 1057 V CB 1.074 32.862 31.823 -0.059 0.000 0.982 1057 V HN 2.175 nan 8.190 nan 0.000 0.485 1058 G N 2.176 110.950 108.800 -0.042 0.000 2.256 1058 G HA2 -0.196 3.780 3.960 0.027 0.000 0.272 1058 G HA3 -0.196 3.780 3.960 0.027 0.000 0.272 1058 G C -0.305 174.581 174.900 -0.023 0.000 1.076 1058 G CA 0.510 45.596 45.100 -0.024 0.000 0.882 1058 G HN 1.099 nan 8.290 nan 0.000 0.497 1059 K N -0.771 119.612 120.400 -0.028 0.000 2.512 1059 K HA 0.537 4.873 4.320 0.027 0.000 0.263 1059 K C 0.212 176.807 176.600 -0.008 0.000 0.966 1059 K CA -0.465 55.813 56.287 -0.016 0.000 0.851 1059 K CB 1.301 33.787 32.500 -0.024 0.000 1.395 1059 K HN 0.443 nan 8.250 nan 0.000 0.440 1060 N N -0.512 118.193 118.700 0.009 0.000 2.408 1060 N HA 0.044 4.800 4.740 0.027 0.000 0.260 1060 N C -0.018 175.504 175.510 0.020 0.000 1.242 1060 N CA -0.320 52.739 53.050 0.015 0.000 0.959 1060 N CB 0.690 39.191 38.487 0.023 0.000 1.201 1060 N HN 0.513 nan 8.380 nan 0.000 0.511 1061 E N -0.897 119.315 120.200 0.021 0.000 2.510 1061 E HA -0.148 4.218 4.350 0.027 0.000 0.202 1061 E C 0.428 177.058 176.600 0.050 0.000 1.072 1061 E CA 0.531 56.944 56.400 0.021 0.000 0.883 1061 E CB 0.076 29.792 29.700 0.027 0.000 0.818 1061 E HN 0.564 nan 8.360 nan 0.000 0.548 1062 E N 0.471 120.705 120.200 0.057 0.000 2.134 1062 E HA -0.064 4.302 4.350 0.027 0.000 0.194 1062 E C 1.544 178.202 176.600 0.097 0.000 0.937 1062 E CA 0.337 56.780 56.400 0.072 0.000 0.874 1062 E CB -0.028 29.706 29.700 0.057 0.000 0.853 1062 E HN 0.186 nan 8.360 nan 0.000 0.471 1063 D N 1.535 121.987 120.400 0.085 0.000 2.203 1063 D HA -0.172 4.484 4.640 0.027 0.000 0.199 1063 D C 1.661 178.057 176.300 0.160 0.000 0.997 1063 D CA 1.291 55.353 54.000 0.103 0.000 0.863 1063 D CB -0.057 40.784 40.800 0.068 0.000 0.928 1063 D HN 0.133 nan 8.370 nan 0.000 0.458 1064 A N 1.335 124.251 122.820 0.160 0.000 1.826 1064 A HA -0.077 4.259 4.320 0.027 0.000 0.214 1064 A C 2.444 180.262 177.584 0.390 0.000 1.212 1064 A CA 2.705 54.910 52.037 0.281 0.000 0.605 1064 A CB -1.075 18.036 19.000 0.184 0.000 0.861 1064 A HN 0.260 nan 8.150 nan 0.000 0.447 1065 K N -0.646 119.922 120.400 0.279 0.000 2.144 1065 K HA -0.247 4.089 4.320 0.027 0.000 0.209 1065 K C 2.278 179.017 176.600 0.231 0.000 1.047 1065 K CA 3.198 59.632 56.287 0.246 0.000 0.927 1065 K CB -1.805 30.782 32.500 0.145 0.000 0.716 1065 K HN 0.858 nan 8.250 nan 0.000 0.454 1066 K N -0.257 120.265 120.400 0.203 0.000 1.963 1066 K HA -0.106 4.230 4.320 0.027 0.000 0.216 1066 K C 2.042 178.758 176.600 0.193 0.000 1.045 1066 K CA 1.815 58.203 56.287 0.169 0.000 0.954 1066 K CB -1.447 31.142 32.500 0.148 0.000 0.732 1066 K HN 0.651 nan 8.250 nan 0.000 0.442 1067 Y N -0.127 120.239 120.300 0.110 0.000 2.065 1067 Y HA -0.410 4.157 4.550 0.029 0.000 0.251 1067 Y C 2.216 178.133 175.900 0.029 0.000 1.258 1067 Y CA 3.241 61.399 58.100 0.096 0.000 1.070 1067 Y CB -0.605 37.958 38.460 0.171 0.000 0.880 1067 Y HN 0.386 nan 8.280 nan 0.000 0.509 1068 F N 0.210 120.149 119.950 -0.018 0.000 2.046 1068 F HA -0.283 4.260 4.527 0.026 0.000 0.297 1068 F C 2.081 177.744 175.800 -0.229 0.000 1.123 1068 F CA 2.206 60.009 58.000 -0.329 0.000 1.199 1068 F CB -0.789 37.941 39.000 -0.450 0.000 0.972 1068 F HN 0.075 nan 8.300 nan 0.000 0.474 1069 L N -0.052 121.178 121.223 0.011 0.000 2.349 1069 L HA -0.219 4.137 4.340 0.027 0.000 0.220 1069 L C 1.979 178.780 176.870 -0.115 0.000 1.130 1069 L CA 0.986 55.802 54.840 -0.040 0.000 0.791 1069 L CB -0.782 41.330 42.059 0.088 0.000 0.918 1069 L HN 0.160 nan 8.230 nan 0.000 0.444 1070 D N -0.402 119.911 120.400 -0.144 0.000 2.084 1070 D HA -0.164 4.492 4.640 0.027 0.000 0.196 1070 D C 2.329 178.471 176.300 -0.263 0.000 0.985 1070 D CA 1.022 54.925 54.000 -0.161 0.000 0.826 1070 D CB -0.040 40.666 40.800 -0.156 0.000 0.978 1070 D HN 0.283 nan 8.370 nan 0.000 0.456 1071 Q N 0.203 119.736 119.800 -0.444 0.000 2.170 1071 Q HA -0.077 4.279 4.340 0.027 0.000 0.203 1071 Q C 2.513 178.256 176.000 -0.428 0.000 0.976 1071 Q CA 0.518 56.025 55.803 -0.494 0.000 0.858 1071 Q CB -0.077 28.212 28.738 -0.748 0.000 0.907 1071 Q HN 0.462 nan 8.270 nan 0.000 0.433 1072 I N 1.032 121.349 120.570 -0.422 0.000 2.335 1072 I HA -0.231 3.955 4.170 0.027 0.000 0.251 1072 I C 1.977 177.998 176.117 -0.159 0.000 1.129 1072 I CA 1.053 62.217 61.300 -0.226 0.000 1.402 1072 I CB -0.299 37.666 38.000 -0.058 0.000 1.069 1072 I HN 0.159 nan 8.210 nan 0.000 0.424 1073 E N 0.644 120.760 120.200 -0.140 0.000 2.112 1073 E HA -0.075 4.291 4.350 0.027 0.000 0.190 1073 E C 2.444 178.965 176.600 -0.133 0.000 0.979 1073 E CA 0.791 57.138 56.400 -0.088 0.000 0.814 1073 E CB -0.306 29.363 29.700 -0.052 0.000 0.762 1073 E HN 0.296 nan 8.360 nan 0.000 0.460 1074 V N 1.013 120.823 119.914 -0.173 0.000 2.546 1074 V HA -0.292 3.844 4.120 0.027 0.000 0.254 1074 V C 2.385 178.373 176.094 -0.177 0.000 1.076 1074 V CA 1.544 63.749 62.300 -0.157 0.000 1.087 1074 V CB -0.770 30.958 31.823 -0.159 0.000 0.674 1074 V HN 0.287 nan 8.190 nan 0.000 0.470 1075 C N -0.403 118.742 119.300 -0.258 0.000 2.468 1075 C HA -0.002 4.474 4.460 0.027 0.000 0.277 1075 C C 2.783 177.644 174.990 -0.214 0.000 1.400 1075 C CA 0.145 58.992 59.018 -0.285 0.000 1.770 1075 C CB -1.116 26.344 27.740 -0.467 0.000 1.905 1075 C HN 0.499 nan 8.230 nan 0.000 0.519 1076 R N 1.228 121.628 120.500 -0.166 0.000 2.075 1076 R HA -0.043 4.313 4.340 0.027 0.000 0.226 1076 R C 1.011 177.248 176.300 -0.104 0.000 1.114 1076 R CA 1.076 57.099 56.100 -0.128 0.000 0.972 1076 R CB -0.703 29.540 30.300 -0.096 0.000 0.869 1076 R HN 0.499 nan 8.270 nan 0.000 0.437 1077 D N 0.664 121.009 120.400 -0.092 0.000 2.371 1077 D HA -0.015 4.641 4.640 0.027 0.000 0.234 1077 D C 1.534 177.799 176.300 -0.058 0.000 1.049 1077 D CA 0.979 54.940 54.000 -0.066 0.000 0.907 1077 D CB 0.239 41.004 40.800 -0.058 0.000 0.891 1077 D HN 0.366 nan 8.370 nan 0.000 0.531 1078 K N -0.302 120.051 120.400 -0.078 0.000 2.538 1078 K HA 0.430 4.766 4.320 0.027 0.000 0.215 1078 K C 1.542 178.099 176.600 -0.071 0.000 1.345 1078 K CA 0.560 56.810 56.287 -0.061 0.000 0.985 1078 K CB -0.362 32.097 32.500 -0.069 0.000 1.116 1078 K HN 0.136 nan 8.250 nan 0.000 0.582 1079 G N 0.663 109.379 108.800 -0.139 0.000 2.693 1079 G HA2 -0.383 3.593 3.960 0.027 0.000 0.354 1079 G HA3 -0.383 3.593 3.960 0.027 0.000 0.354 1079 G C 1.112 175.830 174.900 -0.303 0.000 1.207 1079 G CA 1.555 46.507 45.100 -0.246 0.000 0.958 1079 G HN 0.804 nan 8.290 nan 0.000 0.560 1080 W N 1.488 122.746 121.300 -0.071 0.000 3.114 1080 W HA 0.283 4.959 4.660 0.027 0.000 0.279 1080 W C 2.948 179.493 176.519 0.042 0.000 1.277 1080 W CA 1.140 58.447 57.345 -0.063 0.000 1.630 1080 W CB -0.466 28.967 29.460 -0.045 0.000 1.087 1080 W HN 0.741 nan 8.180 nan 0.000 0.637 1081 T N -2.003 112.680 114.554 0.215 0.000 2.760 1081 T HA -0.254 4.112 4.350 0.027 0.000 0.269 1081 T C 1.639 176.467 174.700 0.214 0.000 1.047 1081 T CA 1.933 64.156 62.100 0.204 0.000 1.139 1081 T CB -0.823 68.103 68.868 0.098 0.000 0.855 1081 T HN 0.019 nan 8.240 nan 0.000 0.471 1082 V N 0.742 120.726 119.914 0.117 0.000 2.599 1082 V HA 0.016 4.152 4.120 0.027 0.000 0.245 1082 V C 2.888 179.040 176.094 0.097 0.000 1.046 1082 V CA 1.387 63.687 62.300 -0.000 0.000 1.065 1082 V CB -0.533 31.312 31.823 0.037 0.000 0.703 1082 V HN 0.365 nan 8.190 nan 0.000 0.464 1083 Q N 0.004 119.974 119.800 0.284 0.000 2.061 1083 Q HA -0.224 4.132 4.340 0.027 0.000 0.204 1083 Q C 1.947 178.298 176.000 0.586 0.000 0.984 1083 Q CA 2.113 58.174 55.803 0.430 0.000 0.846 1083 Q CB -0.683 28.123 28.738 0.114 0.000 0.902 1083 Q HN 0.609 nan 8.270 nan 0.000 0.421 1084 F N 0.821 121.012 119.950 0.402 0.000 2.126 1084 F HA -0.236 4.307 4.527 0.027 0.000 0.299 1084 F C 1.417 177.386 175.800 0.282 0.000 1.096 1084 F CA 1.936 60.175 58.000 0.398 0.000 1.255 1084 F CB -0.489 38.663 39.000 0.253 0.000 0.997 1084 F HN 0.177 nan 8.300 nan 0.000 0.479 1085 N N -0.613 118.063 118.700 -0.039 0.000 2.309 1085 N HA -0.172 4.585 4.740 0.027 0.000 0.182 1085 N C 1.257 176.628 175.510 -0.233 0.000 1.018 1085 N CA 1.500 54.376 53.050 -0.290 0.000 0.876 1085 N CB -0.729 37.554 38.487 -0.339 0.000 0.972 1085 N HN 0.495 nan 8.380 nan 0.000 0.434 1086 W N -1.000 120.339 121.300 0.065 0.000 2.825 1086 W HA 0.124 4.799 4.660 0.026 0.000 0.243 1086 W C 1.301 177.695 176.519 -0.208 0.000 1.293 1086 W CA -0.241 57.035 57.345 -0.115 0.000 1.403 1086 W CB -0.206 29.116 29.460 -0.229 0.000 1.134 1086 W HN 0.007 nan 8.180 nan 0.000 0.666 1087 F N -0.918 119.030 119.950 -0.003 0.000 2.390 1087 F HA 0.000 4.543 4.527 0.027 0.000 0.281 1087 F C 2.270 178.002 175.800 -0.114 0.000 1.016 1087 F CA 0.481 58.461 58.000 -0.033 0.000 1.286 1087 F CB -0.834 38.192 39.000 0.043 0.000 1.134 1087 F HN -0.271 nan 8.300 nan 0.000 0.597 1088 L N 0.204 121.383 121.223 -0.073 0.000 2.261 1088 L HA -0.249 4.107 4.340 0.027 0.000 0.216 1088 L C 2.408 179.226 176.870 -0.086 0.000 1.114 1088 L CA 1.928 56.655 54.840 -0.188 0.000 0.777 1088 L CB -1.398 40.357 42.059 -0.507 0.000 0.910 1088 L HN 0.324 nan 8.230 nan 0.000 0.440 1089 H N -0.158 118.825 119.070 -0.145 0.000 2.390 1089 H HA -0.180 4.392 4.556 0.027 0.000 0.298 1089 H C 1.764 177.048 175.328 -0.073 0.000 1.106 1089 H CA 1.863 57.852 56.048 -0.099 0.000 1.297 1089 H CB -0.008 29.727 29.762 -0.044 0.000 1.375 1089 H HN 0.360 nan 8.280 nan 0.000 0.509 1090 L N 0.692 121.982 121.223 0.111 0.000 2.651 1090 L HA -0.101 4.255 4.340 0.027 0.000 0.236 1090 L C 2.335 179.198 176.870 -0.012 0.000 1.173 1090 L CA 0.524 55.395 54.840 0.052 0.000 0.843 1090 L CB -0.729 41.304 42.059 -0.044 0.000 0.964 1090 L HN 0.149 nan 8.230 nan 0.000 0.454 1091 V N -1.650 118.231 119.914 -0.056 0.000 2.627 1091 V HA 0.137 4.273 4.120 0.027 0.000 0.239 1091 V C 1.430 177.460 176.094 -0.106 0.000 1.077 1091 V CA 0.910 63.170 62.300 -0.066 0.000 1.103 1091 V CB 0.101 31.890 31.823 -0.056 0.000 0.802 1091 V HN 0.190 nan 8.190 nan 0.000 0.482 1092 L N 0.000 121.111 121.223 -0.187 0.000 2.949 1092 L HA 0.000 4.356 4.340 0.027 0.000 0.249 1092 L CA 0.000 54.715 54.840 -0.209 0.000 0.813 1092 L CB 0.000 41.904 42.059 -0.258 0.000 0.961 1092 L HN 0.000 nan 8.230 nan 0.000 0.502