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 1e8w_1_A DATA FIRST_RESID 143 DATA SEQUENCE ASEETLAFQR QLNALIGYDV TDVSNVHDDE LEFTRRRLVT PRMAEVAGRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLL KKITNNCVFI VIHRSTTSQT IKVSADDTPG DATA SEQUENCE TILQSFFTKM XXXXXXXXXX XXXXXXDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRQCLKNGEE IHLVLDTPPD PALDEVRKEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXV SLWDCDRKFR VKIRGIDIPV LPRTADLTVF VEANIQYGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCGXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXQLLY YVNLLLIDHR FLLRHGEYVL HMWQLSXXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN YCHPIALPKH XXXXXXXXXX DATA SEQUENCE XXXEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKDPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA KREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIDML DATA SEQUENCE QKVTIDIKSL SAEKYDVSSQ VISQLKQKLE NLQNLNLPQS FRVPYDPGLK DATA SEQUENCE AGALVIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGAF KDEVLSHWLK EKCPIEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MISETGNLFH IDFGXXXXXX XXXXXXNKER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SLHFQKFQDV CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKSEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLVL DATA SEQUENCE GI 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 A HA 0.000 nan 4.320 nan 0.000 0.244 143 A C 0.000 177.593 177.584 0.014 0.000 1.274 143 A CA 0.000 52.047 52.037 0.017 0.000 0.836 143 A CB 0.000 19.010 19.000 0.017 0.000 0.831 144 S N -0.196 115.512 115.700 0.012 0.000 2.625 144 S HA 0.345 4.813 4.470 -0.003 0.000 0.258 144 S C 0.924 175.533 174.600 0.015 0.000 1.256 144 S CA 0.425 58.631 58.200 0.009 0.000 0.983 144 S CB 0.681 63.882 63.200 0.002 0.000 1.032 144 S HN 0.428 nan 8.310 nan 0.000 0.572 145 E N 0.268 120.475 120.200 0.012 0.000 2.122 145 E HA -0.072 4.276 4.350 -0.003 0.000 0.190 145 E C 2.024 178.639 176.600 0.025 0.000 0.977 145 E CA 0.808 57.219 56.400 0.018 0.000 0.820 145 E CB -0.325 29.382 29.700 0.012 0.000 0.770 145 E HN 0.862 nan 8.360 nan 0.000 0.462 146 E N 0.040 120.248 120.200 0.014 0.000 2.077 146 E HA -0.138 4.210 4.350 -0.003 0.000 0.193 146 E C 1.563 178.181 176.600 0.031 0.000 0.989 146 E CA 1.681 58.086 56.400 0.009 0.000 0.800 146 E CB 0.114 29.800 29.700 -0.023 0.000 0.746 146 E HN 0.072 nan 8.360 nan 0.000 0.452 147 T N 1.221 115.794 114.554 0.032 0.000 2.951 147 T HA -0.034 4.314 4.350 -0.003 0.000 0.268 147 T C 1.844 176.609 174.700 0.109 0.000 1.073 147 T CA 0.663 62.803 62.100 0.067 0.000 1.134 147 T CB -0.002 68.892 68.868 0.044 0.000 0.884 147 T HN 0.150 nan 8.240 nan 0.000 0.479 148 L N 0.551 121.820 121.223 0.076 0.000 2.095 148 L HA 0.100 4.438 4.340 -0.003 0.000 0.204 148 L C 3.086 180.008 176.870 0.087 0.000 1.080 148 L CA 0.869 55.751 54.840 0.069 0.000 0.759 148 L CB -0.660 41.423 42.059 0.040 0.000 0.914 148 L HN 0.232 nan 8.230 nan 0.000 0.439 149 A N 0.124 123.000 122.820 0.093 0.000 1.908 149 A HA -0.292 4.026 4.320 -0.003 0.000 0.218 149 A C 2.141 179.829 177.584 0.173 0.000 1.181 149 A CA 1.613 53.711 52.037 0.102 0.000 0.627 149 A CB -0.835 18.218 19.000 0.087 0.000 0.818 149 A HN 0.361 nan 8.150 nan 0.000 0.445 150 F N 0.566 120.520 119.950 0.007 0.000 2.043 150 F HA -0.252 4.274 4.527 -0.002 0.000 0.297 150 F C 2.458 178.265 175.800 0.011 0.000 1.121 150 F CA 2.373 60.379 58.000 0.010 0.000 1.199 150 F CB -0.898 38.106 39.000 0.006 0.000 0.968 150 F HN 0.306 nan 8.300 nan 0.000 0.478 151 Q N 0.883 120.702 119.800 0.031 0.000 2.096 151 Q HA -0.272 4.066 4.340 -0.003 0.000 0.208 151 Q C 2.464 178.411 176.000 -0.089 0.000 0.993 151 Q CA 2.436 58.183 55.803 -0.094 0.000 0.862 151 Q CB -0.665 28.063 28.738 -0.016 0.000 0.915 151 Q HN 0.532 nan 8.270 nan 0.000 0.416 152 R N -0.016 120.468 120.500 -0.026 0.000 2.103 152 R HA -0.256 4.082 4.340 -0.003 0.000 0.242 152 R C 2.220 178.503 176.300 -0.029 0.000 1.142 152 R CA 2.012 58.100 56.100 -0.020 0.000 0.960 152 R CB -0.360 29.946 30.300 0.011 0.000 0.858 152 R HN 0.653 nan 8.270 nan 0.000 0.439 153 Q N 0.437 120.222 119.800 -0.025 0.000 2.020 153 Q HA -0.124 4.214 4.340 -0.003 0.000 0.198 153 Q C 2.379 178.339 176.000 -0.067 0.000 0.974 153 Q CA 1.288 57.081 55.803 -0.016 0.000 0.829 153 Q CB -0.518 28.247 28.738 0.044 0.000 0.894 153 Q HN 0.335 nan 8.270 nan 0.000 0.433 154 L N 1.078 122.192 121.223 -0.181 0.000 1.997 154 L HA -0.245 4.093 4.340 -0.003 0.000 0.216 154 L C 2.204 179.013 176.870 -0.102 0.000 1.074 154 L CA 1.833 56.555 54.840 -0.198 0.000 0.763 154 L CB -1.244 40.596 42.059 -0.366 0.000 0.890 154 L HN 0.374 nan 8.230 nan 0.000 0.434 155 N N 0.361 119.003 118.700 -0.097 0.000 2.094 155 N HA -0.184 4.554 4.740 -0.003 0.000 0.191 155 N C 1.779 177.264 175.510 -0.040 0.000 1.023 155 N CA 1.746 54.757 53.050 -0.065 0.000 0.857 155 N CB -0.360 38.081 38.487 -0.076 0.000 1.013 155 N HN 0.390 nan 8.380 nan 0.000 0.426 156 A N 0.297 123.100 122.820 -0.028 0.000 2.016 156 A HA 0.094 4.412 4.320 -0.003 0.000 0.217 156 A C 2.279 179.870 177.584 0.011 0.000 1.162 156 A CA 0.418 52.453 52.037 -0.005 0.000 0.662 156 A CB -0.410 18.594 19.000 0.007 0.000 0.812 156 A HN 0.197 nan 8.150 nan 0.000 0.450 157 L N -0.164 121.066 121.223 0.012 0.000 2.093 157 L HA -0.147 4.191 4.340 -0.003 0.000 0.208 157 L C 2.283 179.146 176.870 -0.011 0.000 1.085 157 L CA 0.836 55.706 54.840 0.049 0.000 0.755 157 L CB -0.318 41.785 42.059 0.073 0.000 0.904 157 L HN 0.339 nan 8.230 nan 0.000 0.435 158 I N -0.301 120.240 120.570 -0.048 0.000 2.286 158 I HA -0.090 4.078 4.170 -0.003 0.000 0.245 158 I C 1.706 177.778 176.117 -0.075 0.000 1.104 158 I CA 1.504 62.741 61.300 -0.105 0.000 1.397 158 I CB -1.361 36.625 38.000 -0.024 0.000 1.072 158 I HN 0.462 nan 8.210 nan 0.000 0.417 159 G N 0.417 109.212 108.800 -0.009 0.000 2.130 159 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.216 159 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.216 159 G C -0.069 174.893 174.900 0.104 0.000 0.999 159 G CA 0.288 45.404 45.100 0.027 0.000 0.686 159 G HN 0.443 nan 8.290 nan 0.000 0.515 160 Y N -0.440 119.837 120.300 -0.038 0.000 2.573 160 Y HA 0.478 5.026 4.550 -0.003 0.000 0.328 160 Y C -1.585 174.294 175.900 -0.034 0.000 1.170 160 Y CA -0.913 57.171 58.100 -0.027 0.000 1.078 160 Y CB 1.577 40.024 38.460 -0.022 0.000 1.341 160 Y HN 0.103 nan 8.280 nan 0.000 0.459 161 D N 3.884 123.797 120.400 -0.812 0.000 2.422 161 D HA 0.205 4.842 4.640 -0.003 0.000 0.227 161 D C 1.019 177.144 176.300 -0.292 0.000 1.190 161 D CA 0.038 53.766 54.000 -0.453 0.000 0.905 161 D CB 0.914 41.476 40.800 -0.397 0.000 1.034 161 D HN 0.499 nan 8.370 nan 0.000 0.507 162 V N 1.918 121.843 119.914 0.018 0.000 3.026 162 V HA -0.152 3.966 4.120 -0.003 0.000 0.265 162 V C 1.873 177.998 176.094 0.052 0.000 1.121 162 V CA 1.858 64.242 62.300 0.141 0.000 1.142 162 V CB -1.627 30.244 31.823 0.080 0.000 0.730 162 V HN 0.644 nan 8.190 nan 0.000 0.503 163 T N -3.223 111.320 114.554 -0.018 0.000 3.035 163 T HA -0.016 4.332 4.350 -0.003 0.000 0.259 163 T C 0.923 175.616 174.700 -0.012 0.000 1.078 163 T CA 0.349 62.443 62.100 -0.011 0.000 1.132 163 T CB -0.389 68.466 68.868 -0.022 0.000 0.900 163 T HN 0.563 nan 8.240 nan 0.000 0.480 164 D N 2.056 122.426 120.400 -0.049 0.000 2.622 164 D HA -0.059 4.579 4.640 -0.003 0.000 0.227 164 D C 0.704 177.007 176.300 0.005 0.000 1.159 164 D CA 1.037 55.007 54.000 -0.049 0.000 0.865 164 D CB 0.812 41.539 40.800 -0.122 0.000 1.207 164 D HN 0.381 nan 8.370 nan 0.000 0.492 165 V N 0.369 120.283 119.914 -0.000 0.000 3.157 165 V HA 0.101 4.219 4.120 -0.003 0.000 0.361 165 V C 1.306 177.403 176.094 0.005 0.000 1.421 165 V CA 0.360 62.667 62.300 0.012 0.000 1.213 165 V CB -0.193 31.639 31.823 0.015 0.000 1.164 165 V HN 0.498 nan 8.190 nan 0.000 0.559 166 S N -0.066 115.632 115.700 -0.003 0.000 2.461 166 S HA 0.065 4.533 4.470 -0.003 0.000 0.228 166 S C 1.051 175.643 174.600 -0.013 0.000 1.005 166 S CA 1.331 59.523 58.200 -0.013 0.000 0.942 166 S CB -0.453 62.730 63.200 -0.029 0.000 0.776 166 S HN 0.646 nan 8.310 nan 0.000 0.514 167 N N 1.073 119.772 118.700 -0.000 0.000 2.818 167 N HA 0.367 5.105 4.740 -0.003 0.000 0.301 167 N C -1.016 174.485 175.510 -0.016 0.000 1.821 167 N CA -0.365 52.679 53.050 -0.010 0.000 0.930 167 N CB 1.281 39.765 38.487 -0.006 0.000 1.263 167 N HN 0.347 nan 8.380 nan 0.000 0.487 168 V N -0.981 118.921 119.914 -0.020 0.000 2.971 168 V HA 0.519 4.637 4.120 -0.003 0.000 0.309 168 V C 0.345 176.420 176.094 -0.031 0.000 1.130 168 V CA -0.787 61.464 62.300 -0.082 0.000 0.964 168 V CB 1.726 33.516 31.823 -0.054 0.000 1.029 168 V HN 0.478 nan 8.190 nan 0.000 0.427 169 H N 0.758 119.894 119.070 0.111 0.000 2.674 169 H HA 0.478 5.032 4.556 -0.003 0.000 0.274 169 H C -0.426 174.992 175.328 0.151 0.000 1.121 169 H CA 0.272 56.398 56.048 0.129 0.000 1.132 169 H CB 0.791 30.697 29.762 0.239 0.000 1.606 169 H HN 0.912 nan 8.280 nan 0.000 0.558 170 D N 0.907 121.364 120.400 0.095 0.000 3.182 170 D HA -0.061 4.577 4.640 -0.003 0.000 0.352 170 D C -0.752 175.608 176.300 0.100 0.000 1.421 170 D CA -0.307 53.808 54.000 0.190 0.000 0.912 170 D CB 0.382 41.396 40.800 0.358 0.000 1.461 170 D HN 0.150 nan 8.370 nan 0.000 0.548 171 D N -0.909 119.582 120.400 0.152 0.000 2.804 171 D HA 0.094 4.732 4.640 -0.003 0.000 0.308 171 D C 0.378 176.723 176.300 0.074 0.000 1.371 171 D CA -0.286 53.790 54.000 0.127 0.000 0.823 171 D CB 0.406 41.311 40.800 0.175 0.000 1.126 171 D HN 0.466 nan 8.370 nan 0.000 0.467 172 E N 0.510 120.640 120.200 -0.116 0.000 2.072 172 E HA -0.080 4.268 4.350 -0.003 0.000 0.191 172 E C 2.012 178.644 176.600 0.053 0.000 0.985 172 E CA 0.579 56.744 56.400 -0.392 0.000 0.801 172 E CB 0.241 29.772 29.700 -0.282 0.000 0.750 172 E HN 0.375 nan 8.360 nan 0.000 0.452 173 L N 0.661 121.906 121.223 0.037 0.000 1.989 173 L HA -0.218 4.120 4.340 -0.003 0.000 0.211 173 L C 2.712 179.598 176.870 0.025 0.000 1.071 173 L CA 1.410 56.216 54.840 -0.057 0.000 0.749 173 L CB -0.623 41.371 42.059 -0.109 0.000 0.890 173 L HN 0.126 nan 8.230 nan 0.000 0.431 174 E N 0.528 120.766 120.200 0.063 0.000 2.085 174 E HA -0.284 4.064 4.350 -0.003 0.000 0.194 174 E C 1.989 178.662 176.600 0.121 0.000 0.994 174 E CA 1.517 57.966 56.400 0.081 0.000 0.801 174 E CB -0.459 29.296 29.700 0.091 0.000 0.743 174 E HN 0.356 nan 8.360 nan 0.000 0.453 175 F N 0.564 120.528 119.950 0.024 0.000 2.161 175 F HA -0.187 4.339 4.527 -0.003 0.000 0.300 175 F C 2.027 177.853 175.800 0.044 0.000 1.089 175 F CA 2.083 60.117 58.000 0.057 0.000 1.282 175 F CB -0.438 38.619 39.000 0.095 0.000 1.010 175 F HN 0.029 nan 8.300 nan 0.000 0.485 176 T N 0.424 115.055 114.554 0.128 0.000 2.896 176 T HA -0.067 4.281 4.350 -0.003 0.000 0.263 176 T C 1.927 176.603 174.700 -0.039 0.000 1.050 176 T CA 1.124 63.247 62.100 0.040 0.000 1.140 176 T CB -0.225 68.729 68.868 0.143 0.000 0.877 176 T HN 0.253 nan 8.240 nan 0.000 0.457 177 R N 1.176 121.662 120.500 -0.023 0.000 2.091 177 R HA 0.001 4.339 4.340 -0.003 0.000 0.238 177 R C 2.705 178.972 176.300 -0.053 0.000 1.136 177 R CA 1.206 57.291 56.100 -0.026 0.000 0.959 177 R CB -0.234 30.060 30.300 -0.010 0.000 0.856 177 R HN 0.330 nan 8.270 nan 0.000 0.437 178 R N 0.374 120.820 120.500 -0.090 0.000 2.092 178 R HA -0.016 4.322 4.340 -0.003 0.000 0.231 178 R C 2.216 178.407 176.300 -0.182 0.000 1.119 178 R CA 1.011 57.038 56.100 -0.122 0.000 0.970 178 R CB -0.117 30.108 30.300 -0.125 0.000 0.864 178 R HN 0.223 nan 8.270 nan 0.000 0.440 179 R N 0.488 120.812 120.500 -0.293 0.000 2.276 179 R HA 0.019 4.357 4.340 -0.003 0.000 0.203 179 R C 1.917 178.151 176.300 -0.110 0.000 1.017 179 R CA 0.615 56.557 56.100 -0.263 0.000 1.010 179 R CB -0.009 30.055 30.300 -0.393 0.000 0.900 179 R HN 0.235 nan 8.270 nan 0.000 0.469 180 L N 0.021 121.203 121.223 -0.069 0.000 2.446 180 L HA -0.029 4.309 4.340 -0.003 0.000 0.219 180 L C 2.096 178.958 176.870 -0.013 0.000 1.116 180 L CA 0.152 54.981 54.840 -0.018 0.000 0.844 180 L CB -0.052 42.010 42.059 0.005 0.000 0.970 180 L HN -0.082 nan 8.230 nan 0.000 0.457 181 V N -0.350 119.548 119.914 -0.028 0.000 2.324 181 V HA -0.323 3.795 4.120 -0.003 0.000 0.250 181 V C 2.502 178.587 176.094 -0.015 0.000 1.060 181 V CA 2.441 64.731 62.300 -0.017 0.000 1.042 181 V CB -0.850 30.960 31.823 -0.022 0.000 0.650 181 V HN 0.464 nan 8.190 nan 0.000 0.450 182 T N 0.003 114.545 114.554 -0.021 0.000 2.732 182 T HA -0.049 4.299 4.350 -0.003 0.000 0.261 182 T C 0.040 174.737 174.700 -0.005 0.000 1.040 182 T CA 1.764 63.855 62.100 -0.014 0.000 1.145 182 T CB -1.082 67.777 68.868 -0.015 0.000 0.866 182 T HN 0.446 nan 8.240 nan 0.000 0.427 183 P HA -0.077 nan 4.420 nan 0.000 0.216 183 P C 1.440 178.744 177.300 0.007 0.000 1.150 183 P CA 1.055 64.163 63.100 0.014 0.000 0.837 183 P CB -0.033 31.685 31.700 0.029 0.000 0.786 184 R N -0.025 120.477 120.500 0.003 0.000 2.070 184 R HA -0.101 4.237 4.340 -0.003 0.000 0.233 184 R C 2.129 178.413 176.300 -0.027 0.000 1.137 184 R CA 2.037 58.133 56.100 -0.008 0.000 0.945 184 R CB -0.697 29.600 30.300 -0.005 0.000 0.845 184 R HN 0.057 nan 8.270 nan 0.000 0.430 185 M N 0.439 120.025 119.600 -0.023 0.000 2.108 185 M HA -0.131 4.347 4.480 -0.003 0.000 0.261 185 M C 2.532 178.812 176.300 -0.034 0.000 1.066 185 M CA 1.886 57.167 55.300 -0.030 0.000 1.107 185 M CB -0.758 31.829 32.600 -0.022 0.000 1.356 185 M HN 0.360 nan 8.290 nan 0.000 0.406 186 A N 0.106 122.913 122.820 -0.023 0.000 1.933 186 A HA -0.192 4.126 4.320 -0.003 0.000 0.218 186 A C 2.063 179.628 177.584 -0.031 0.000 1.175 186 A CA 2.099 54.124 52.037 -0.020 0.000 0.628 186 A CB -0.602 18.395 19.000 -0.005 0.000 0.814 186 A HN 0.469 nan 8.150 nan 0.000 0.444 187 E N -0.124 120.054 120.200 -0.037 0.000 2.072 187 E HA -0.073 4.275 4.350 -0.003 0.000 0.190 187 E C 1.855 178.393 176.600 -0.103 0.000 0.982 187 E CA 1.329 57.695 56.400 -0.056 0.000 0.803 187 E CB -0.373 29.301 29.700 -0.045 0.000 0.755 187 E HN 0.255 nan 8.360 nan 0.000 0.453 188 V N 1.081 120.926 119.914 -0.115 0.000 2.233 188 V HA -0.275 3.843 4.120 -0.003 0.000 0.247 188 V C 2.403 178.418 176.094 -0.133 0.000 1.050 188 V CA 2.083 64.288 62.300 -0.158 0.000 1.010 188 V CB -1.131 30.622 31.823 -0.118 0.000 0.637 188 V HN 0.436 nan 8.190 nan 0.000 0.444 189 A N 0.129 122.897 122.820 -0.085 0.000 2.121 189 A HA 0.036 4.354 4.320 -0.003 0.000 0.218 189 A C 2.073 179.621 177.584 -0.059 0.000 1.154 189 A CA 1.575 53.573 52.037 -0.065 0.000 0.679 189 A CB -0.670 18.303 19.000 -0.044 0.000 0.795 189 A HN 0.608 nan 8.150 nan 0.000 0.458 190 G N -0.382 108.380 108.800 -0.063 0.000 3.393 190 G HA2 0.303 4.261 3.960 -0.003 0.000 0.255 190 G HA3 0.303 4.261 3.960 -0.003 0.000 0.255 190 G C 0.512 175.381 174.900 -0.052 0.000 1.097 190 G CA -0.158 44.915 45.100 -0.045 0.000 0.780 190 G HN 0.679 nan 8.290 nan 0.000 0.540 191 R N 0.416 120.861 120.500 -0.092 0.000 2.407 191 R HA 0.388 4.726 4.340 -0.003 0.000 0.303 191 R C -1.102 175.161 176.300 -0.062 0.000 0.981 191 R CA -0.823 55.222 56.100 -0.091 0.000 0.905 191 R CB 1.292 31.474 30.300 -0.197 0.000 1.099 191 R HN -0.030 nan 8.270 nan 0.000 0.459 192 D N 4.898 125.295 120.400 -0.004 0.000 2.450 192 D HA -0.001 4.637 4.640 -0.003 0.000 0.247 192 D C -1.228 175.101 176.300 0.048 0.000 1.162 192 D CA -1.598 52.414 54.000 0.020 0.000 0.879 192 D CB 1.330 42.153 40.800 0.038 0.000 1.163 192 D HN 0.435 nan 8.370 nan 0.000 0.472 193 P HA -0.160 nan 4.420 nan 0.000 0.216 193 P C 1.009 178.364 177.300 0.092 0.000 1.153 193 P CA 1.214 64.352 63.100 0.063 0.000 0.848 193 P CB 0.543 32.255 31.700 0.020 0.000 0.787 194 K N -0.126 120.298 120.400 0.039 0.000 1.967 194 K HA -0.032 4.286 4.320 -0.003 0.000 0.212 194 K C 2.479 179.078 176.600 -0.002 0.000 1.044 194 K CA 1.061 57.344 56.287 -0.007 0.000 0.942 194 K CB -0.940 31.544 32.500 -0.026 0.000 0.726 194 K HN 0.033 nan 8.250 nan 0.000 0.440 195 L N 0.289 121.531 121.223 0.032 0.000 2.064 195 L HA -0.279 4.059 4.340 -0.003 0.000 0.216 195 L C 2.604 179.536 176.870 0.102 0.000 1.077 195 L CA 1.543 56.415 54.840 0.053 0.000 0.766 195 L CB -0.563 41.544 42.059 0.079 0.000 0.890 195 L HN 0.264 nan 8.230 nan 0.000 0.435 196 Y N 0.205 120.509 120.300 0.007 0.000 2.242 196 Y HA -0.177 4.371 4.550 -0.004 0.000 0.291 196 Y C 2.403 178.328 175.900 0.042 0.000 1.137 196 Y CA 0.990 59.111 58.100 0.033 0.000 1.181 196 Y CB -0.228 38.243 38.460 0.018 0.000 0.989 196 Y HN 0.096 nan 8.280 nan 0.000 0.527 197 A N 0.072 122.895 122.820 0.004 0.000 1.972 197 A HA -0.159 4.159 4.320 -0.003 0.000 0.219 197 A C 2.114 179.582 177.584 -0.194 0.000 1.169 197 A CA 1.975 53.946 52.037 -0.110 0.000 0.635 197 A CB -0.602 18.349 19.000 -0.081 0.000 0.810 197 A HN 0.580 nan 8.150 nan 0.000 0.446 198 M N -0.428 119.011 119.600 -0.268 0.000 2.371 198 M HA 0.076 4.554 4.480 -0.003 0.000 0.246 198 M C 0.125 176.093 176.300 -0.553 0.000 1.103 198 M CA 0.288 55.284 55.300 -0.505 0.000 1.010 198 M CB 0.021 32.221 32.600 -0.667 0.000 1.457 198 M HN 0.743 nan 8.290 nan 0.000 0.486 199 H N -1.319 117.738 119.070 -0.022 0.000 2.484 199 H HA -0.101 4.453 4.556 -0.004 0.000 0.321 199 H C -2.457 172.953 175.328 0.137 0.000 1.065 199 H CA -0.449 55.611 56.048 0.020 0.000 1.118 199 H CB -2.352 27.382 29.762 -0.045 0.000 1.511 199 H HN 0.172 nan 8.280 nan 0.000 0.403 200 P HA -0.107 nan 4.420 nan 0.000 0.266 200 P C 0.163 177.669 177.300 0.343 0.000 1.186 200 P CA 0.324 63.592 63.100 0.279 0.000 0.767 200 P CB 0.385 32.236 31.700 0.253 0.000 0.820 201 W N 5.372 126.790 121.300 0.197 0.000 2.361 201 W HA 0.487 5.145 4.660 -0.004 0.000 0.314 201 W C -1.224 175.292 176.519 -0.005 0.000 1.041 201 W CA -0.828 56.598 57.345 0.134 0.000 1.241 201 W CB 0.719 30.299 29.460 0.200 0.000 1.279 201 W HN 0.285 nan 8.180 nan 0.000 0.436 202 V N 2.621 122.695 119.914 0.267 0.000 3.182 202 V HA 0.904 5.022 4.120 -0.003 0.000 0.308 202 V C -1.057 175.039 176.094 0.004 0.000 1.240 202 V CA -0.954 61.282 62.300 -0.107 0.000 1.063 202 V CB 1.606 33.213 31.823 -0.360 0.000 1.076 202 V HN 0.509 nan 8.190 nan 0.000 0.446 203 T N -0.141 114.362 114.554 -0.086 0.000 3.071 203 T HA 0.448 4.796 4.350 -0.003 0.000 0.311 203 T C 0.172 174.845 174.700 -0.046 0.000 1.042 203 T CA 0.320 62.406 62.100 -0.023 0.000 1.028 203 T CB 1.366 70.221 68.868 -0.021 0.000 1.068 203 T HN 2.073 nan 8.240 nan 0.000 0.451 204 S N 3.858 119.545 115.700 -0.022 0.000 2.677 204 S HA 0.368 4.836 4.470 -0.003 0.000 0.246 204 S C 0.333 174.918 174.600 -0.024 0.000 1.005 204 S CA -0.524 57.660 58.200 -0.027 0.000 1.062 204 S CB -0.489 62.703 63.200 -0.015 0.000 0.778 204 S HN 0.662 nan 8.310 nan 0.000 0.461 205 K N 2.260 122.643 120.400 -0.028 0.000 2.139 205 K HA 0.516 4.834 4.320 -0.003 0.000 0.243 205 K C -2.435 174.137 176.600 -0.046 0.000 0.983 205 K CA -2.403 53.865 56.287 -0.033 0.000 0.890 205 K CB 0.740 33.221 32.500 -0.031 0.000 1.090 205 K HN 0.212 nan 8.250 nan 0.000 0.445 206 P HA 0.098 nan 4.420 nan 0.000 0.274 206 P C -0.746 176.499 177.300 -0.091 0.000 1.256 206 P CA -0.275 62.787 63.100 -0.063 0.000 0.795 206 P CB 0.605 32.270 31.700 -0.059 0.000 1.038 207 L N 2.214 123.374 121.223 -0.105 0.000 2.319 207 L HA 0.282 4.620 4.340 -0.003 0.000 0.280 207 L C -1.764 174.978 176.870 -0.214 0.000 1.099 207 L CA -1.819 52.929 54.840 -0.154 0.000 0.828 207 L CB 0.179 42.157 42.059 -0.134 0.000 1.150 207 L HN 0.281 nan 8.230 nan 0.000 0.442 208 P HA -0.053 nan 4.420 nan 0.000 0.271 208 P C 0.493 177.533 177.300 -0.435 0.000 1.238 208 P CA -0.249 62.562 63.100 -0.482 0.000 0.794 208 P CB 0.582 31.658 31.700 -1.040 0.000 0.959 209 E N 0.242 120.252 120.200 -0.316 0.000 2.150 209 E HA -0.208 4.140 4.350 -0.003 0.000 0.193 209 E C 1.270 177.782 176.600 -0.146 0.000 0.985 209 E CA 0.882 57.184 56.400 -0.163 0.000 0.814 209 E CB -0.329 29.340 29.700 -0.052 0.000 0.752 209 E HN 0.596 nan 8.360 nan 0.000 0.466 210 Y N -0.986 119.281 120.300 -0.056 0.000 2.583 210 Y HA 0.154 4.702 4.550 -0.004 0.000 0.293 210 Y C 1.463 177.315 175.900 -0.080 0.000 1.157 210 Y CA 0.239 58.293 58.100 -0.076 0.000 1.315 210 Y CB -0.202 38.195 38.460 -0.105 0.000 1.021 210 Y HN -0.012 nan 8.280 nan 0.000 0.536 211 L N -0.989 120.067 121.223 -0.278 0.000 2.500 211 L HA 0.071 4.409 4.340 -0.003 0.000 0.219 211 L C 2.053 178.846 176.870 -0.128 0.000 1.057 211 L CA 0.011 54.759 54.840 -0.154 0.000 0.854 211 L CB -0.215 41.706 42.059 -0.229 0.000 1.078 211 L HN 0.222 nan 8.230 nan 0.000 0.480 212 L N 1.203 122.335 121.223 -0.152 0.000 2.012 212 L HA -0.225 4.113 4.340 -0.003 0.000 0.210 212 L C 2.403 179.229 176.870 -0.074 0.000 1.073 212 L CA 1.968 56.744 54.840 -0.106 0.000 0.748 212 L CB -0.649 41.347 42.059 -0.104 0.000 0.891 212 L HN 0.117 nan 8.230 nan 0.000 0.431 213 K N -0.524 119.841 120.400 -0.059 0.000 2.360 213 K HA -0.144 4.174 4.320 -0.003 0.000 0.201 213 K C 1.576 178.151 176.600 -0.042 0.000 1.046 213 K CA 1.182 57.446 56.287 -0.037 0.000 0.945 213 K CB -0.014 32.476 32.500 -0.017 0.000 0.750 213 K HN 0.257 nan 8.250 nan 0.000 0.464 214 K N 0.303 120.671 120.400 -0.053 0.000 2.469 214 K HA 0.166 4.484 4.320 -0.003 0.000 0.201 214 K C -0.592 175.952 176.600 -0.092 0.000 1.028 214 K CA 0.102 56.350 56.287 -0.064 0.000 1.170 214 K CB 0.383 32.849 32.500 -0.058 0.000 0.874 214 K HN 0.150 nan 8.250 nan 0.000 0.507 215 I N 1.271 121.789 120.570 -0.087 0.000 2.466 215 I HA 0.074 4.242 4.170 -0.003 0.000 0.279 215 I C -0.308 175.760 176.117 -0.082 0.000 1.033 215 I CA -0.610 60.628 61.300 -0.103 0.000 1.123 215 I CB 1.849 39.793 38.000 -0.093 0.000 1.237 215 I HN -0.162 nan 8.210 nan 0.000 0.460 216 T N 6.523 121.023 114.554 -0.091 0.000 2.736 216 T HA 0.020 4.368 4.350 -0.003 0.000 0.275 216 T C 0.897 175.577 174.700 -0.033 0.000 0.962 216 T CA 0.657 62.726 62.100 -0.053 0.000 1.214 216 T CB -0.360 68.482 68.868 -0.043 0.000 0.904 216 T HN 0.733 nan 8.240 nan 0.000 0.529 217 N N 3.106 121.792 118.700 -0.024 0.000 3.489 217 N HA -0.247 4.491 4.740 -0.003 0.000 0.206 217 N C 0.447 175.946 175.510 -0.018 0.000 0.368 217 N CA 1.891 54.933 53.050 -0.013 0.000 2.164 217 N CB -0.820 37.667 38.487 0.001 0.000 1.440 217 N HN 0.709 nan 8.380 nan 0.000 0.372 218 N N 0.418 119.112 118.700 -0.011 0.000 2.570 218 N HA 0.382 5.120 4.740 -0.003 0.000 0.261 218 N C -1.907 173.603 175.510 0.000 0.000 1.540 218 N CA -0.017 53.027 53.050 -0.011 0.000 0.959 218 N CB 0.159 38.644 38.487 -0.004 0.000 1.449 218 N HN 0.517 nan 8.380 nan 0.000 0.519 219 C N -0.599 118.697 119.300 -0.006 0.000 3.291 219 C HA 0.867 5.325 4.460 -0.003 0.000 0.316 219 C C -0.910 174.059 174.990 -0.036 0.000 1.391 219 C CA -0.730 58.301 59.018 0.021 0.000 1.394 219 C CB 1.685 29.475 27.740 0.084 0.000 1.744 219 C HN 0.141 nan 8.230 nan 0.000 0.461 220 V N 1.167 121.085 119.914 0.006 0.000 3.225 220 V HA 0.641 4.759 4.120 -0.003 0.000 0.293 220 V C -1.932 174.241 176.094 0.132 0.000 1.405 220 V CA -0.470 61.753 62.300 -0.129 0.000 1.038 220 V CB 2.039 33.788 31.823 -0.122 0.000 1.123 220 V HN 0.688 nan 8.190 nan 0.000 0.447 221 F N 5.134 125.061 119.950 -0.039 0.000 2.397 221 F HA 0.770 5.295 4.527 -0.004 0.000 0.331 221 F C 0.370 176.128 175.800 -0.070 0.000 1.090 221 F CA -1.597 56.375 58.000 -0.047 0.000 1.065 221 F CB 1.201 40.174 39.000 -0.045 0.000 1.184 221 F HN 0.475 nan 8.300 nan 0.000 0.499 222 I N -0.195 120.455 120.570 0.133 0.000 2.529 222 I HA 0.550 4.718 4.170 -0.003 0.000 0.284 222 I C -1.365 174.736 176.117 -0.026 0.000 1.088 222 I CA -0.963 60.342 61.300 0.007 0.000 1.062 222 I CB 1.625 39.604 38.000 -0.035 0.000 1.218 222 I HN 0.161 nan 8.210 nan 0.000 0.442 223 V N 6.883 126.761 119.914 -0.060 0.000 2.405 223 V HA 0.347 4.465 4.120 -0.003 0.000 0.264 223 V C 0.519 176.704 176.094 0.152 0.000 1.048 223 V CA -0.077 62.239 62.300 0.027 0.000 0.966 223 V CB 0.441 32.281 31.823 0.029 0.000 1.015 223 V HN 0.571 nan 8.190 nan 0.000 0.477 224 I N 5.061 125.678 120.570 0.079 0.000 2.385 224 I HA 0.455 4.623 4.170 -0.003 0.000 0.294 224 I C -0.344 175.952 176.117 0.299 0.000 0.988 224 I CA -0.548 60.788 61.300 0.060 0.000 1.265 224 I CB 1.116 38.875 38.000 -0.401 0.000 1.388 224 I HN 0.577 nan 8.210 nan 0.000 0.480 225 H N 4.369 123.436 119.070 -0.005 0.000 2.495 225 H HA 0.500 5.053 4.556 -0.004 0.000 0.348 225 H C 0.137 175.491 175.328 0.043 0.000 1.113 225 H CA -0.783 55.289 56.048 0.041 0.000 1.195 225 H CB 1.913 31.701 29.762 0.044 0.000 1.521 225 H HN 0.453 nan 8.280 nan 0.000 0.509 226 R N 1.082 121.682 120.500 0.167 0.000 2.006 226 R HA 0.272 4.609 4.340 -0.003 0.000 0.181 226 R C 1.536 177.900 176.300 0.106 0.000 1.617 226 R CA 1.002 57.179 56.100 0.128 0.000 1.276 226 R CB -0.071 30.299 30.300 0.115 0.000 1.107 226 R HN 0.477 nan 8.270 nan 0.000 0.474 227 S N -1.859 113.889 115.700 0.080 0.000 2.696 227 S HA 0.103 4.571 4.470 -0.003 0.000 0.172 227 S C 1.128 175.764 174.600 0.060 0.000 0.767 227 S CA 1.020 59.257 58.200 0.062 0.000 0.856 227 S CB -0.103 63.123 63.200 0.043 0.000 0.782 227 S HN 0.436 nan 8.310 nan 0.000 0.582 228 T N 1.351 115.927 114.554 0.036 0.000 3.058 228 T HA 0.292 4.640 4.350 -0.003 0.000 0.278 228 T C -0.234 174.455 174.700 -0.019 0.000 0.974 228 T CA -0.107 62.005 62.100 0.020 0.000 0.893 228 T CB -0.229 68.647 68.868 0.015 0.000 1.138 228 T HN 0.442 nan 8.240 nan 0.000 0.529 229 T N 2.207 116.758 114.554 -0.004 0.000 2.932 229 T HA 0.473 4.821 4.350 -0.003 0.000 0.312 229 T C -0.365 174.288 174.700 -0.080 0.000 1.071 229 T CA -0.119 61.971 62.100 -0.016 0.000 1.128 229 T CB 0.949 69.832 68.868 0.025 0.000 0.984 229 T HN 0.201 nan 8.240 nan 0.000 0.549 230 S N 1.993 117.637 115.700 -0.093 0.000 2.566 230 S HA 0.432 4.900 4.470 -0.003 0.000 0.273 230 S C -1.330 173.253 174.600 -0.029 0.000 1.157 230 S CA -0.903 57.197 58.200 -0.168 0.000 0.938 230 S CB 1.923 64.915 63.200 -0.347 0.000 1.087 230 S HN 0.513 nan 8.310 nan 0.000 0.474 231 Q N 1.738 121.569 119.800 0.052 0.000 2.321 231 Q HA 0.517 4.855 4.340 -0.003 0.000 0.270 231 Q C -0.997 175.046 176.000 0.072 0.000 1.032 231 Q CA -0.298 55.568 55.803 0.105 0.000 0.784 231 Q CB 2.135 31.041 28.738 0.280 0.000 1.264 231 Q HN 0.683 nan 8.270 nan 0.000 0.448 232 T N 3.680 118.243 114.554 0.015 0.000 2.799 232 T HA 0.636 4.984 4.350 -0.003 0.000 0.286 232 T C -0.146 174.520 174.700 -0.056 0.000 0.973 232 T CA -0.207 61.874 62.100 -0.032 0.000 1.035 232 T CB 0.297 69.114 68.868 -0.085 0.000 0.932 232 T HN 0.278 nan 8.240 nan 0.000 0.469 233 I N 3.059 123.608 120.570 -0.035 0.000 2.545 233 I HA 0.355 4.523 4.170 -0.003 0.000 0.292 233 I C 0.050 176.162 176.117 -0.008 0.000 1.040 233 I CA -0.774 60.512 61.300 -0.024 0.000 1.068 233 I CB 1.926 39.960 38.000 0.057 0.000 1.251 233 I HN 0.373 nan 8.210 nan 0.000 0.424 234 K N 4.361 124.736 120.400 -0.040 0.000 2.234 234 K HA 0.726 5.044 4.320 -0.003 0.000 0.282 234 K C -0.969 175.702 176.600 0.119 0.000 1.039 234 K CA -0.532 55.838 56.287 0.138 0.000 0.928 234 K CB 1.415 33.958 32.500 0.071 0.000 1.039 234 K HN 0.325 nan 8.250 nan 0.000 0.470 235 V N 1.115 121.114 119.914 0.143 0.000 2.962 235 V HA 0.187 4.305 4.120 -0.003 0.000 0.313 235 V C -0.290 175.838 176.094 0.057 0.000 1.099 235 V CA -1.228 61.116 62.300 0.074 0.000 0.971 235 V CB 2.077 33.927 31.823 0.044 0.000 1.028 235 V HN 0.919 nan 8.190 nan 0.000 0.430 236 S N 1.766 117.489 115.700 0.038 0.000 2.509 236 S HA 0.233 4.701 4.470 -0.003 0.000 0.287 236 S C 1.208 175.824 174.600 0.026 0.000 1.248 236 S CA 0.147 58.365 58.200 0.030 0.000 1.089 236 S CB 0.873 64.088 63.200 0.025 0.000 0.900 236 S HN 1.321 nan 8.310 nan 0.000 0.496 237 A N 2.566 125.399 122.820 0.021 0.000 2.125 237 A HA -0.040 4.278 4.320 -0.003 0.000 0.219 237 A C 0.942 178.540 177.584 0.025 0.000 1.156 237 A CA 1.257 53.303 52.037 0.015 0.000 0.671 237 A CB -0.409 18.591 19.000 -0.001 0.000 0.794 237 A HN 0.836 nan 8.150 nan 0.000 0.459 238 D N -0.336 120.079 120.400 0.025 0.000 2.462 238 D HA 0.166 4.804 4.640 -0.003 0.000 0.221 238 D C -0.775 175.548 176.300 0.039 0.000 1.173 238 D CA -0.229 53.790 54.000 0.031 0.000 0.831 238 D CB 0.412 41.224 40.800 0.020 0.000 1.001 238 D HN 0.151 nan 8.370 nan 0.000 0.499 239 D N 1.331 121.754 120.400 0.038 0.000 2.233 239 D HA 0.130 4.768 4.640 -0.003 0.000 0.240 239 D C 0.445 176.774 176.300 0.048 0.000 1.074 239 D CA -0.237 53.786 54.000 0.037 0.000 0.838 239 D CB 1.309 42.123 40.800 0.023 0.000 1.124 239 D HN 0.055 nan 8.370 nan 0.000 0.475 240 T N 0.554 115.143 114.554 0.059 0.000 2.902 240 T HA -0.028 4.320 4.350 -0.003 0.000 0.317 240 T C -1.803 172.922 174.700 0.042 0.000 1.064 240 T CA -0.864 61.284 62.100 0.080 0.000 1.130 240 T CB 0.288 69.197 68.868 0.068 0.000 1.073 240 T HN 0.117 nan 8.240 nan 0.000 0.524 241 P HA 0.048 nan 4.420 nan 0.000 0.234 241 P C 1.452 178.724 177.300 -0.046 0.000 1.162 241 P CA 0.910 63.979 63.100 -0.051 0.000 0.759 241 P CB -0.387 31.257 31.700 -0.093 0.000 0.813 242 G N -1.387 107.408 108.800 -0.009 0.000 2.492 242 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.214 242 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.214 242 G C 1.333 176.214 174.900 -0.031 0.000 1.147 242 G CA 0.551 45.641 45.100 -0.016 0.000 0.809 242 G HN 0.153 nan 8.290 nan 0.000 0.533 243 T N 1.682 116.226 114.554 -0.015 0.000 2.821 243 T HA 0.030 4.378 4.350 -0.003 0.000 0.267 243 T C 1.249 175.926 174.700 -0.038 0.000 1.046 243 T CA 0.378 62.470 62.100 -0.013 0.000 1.139 243 T CB 0.008 68.878 68.868 0.004 0.000 0.871 243 T HN 0.078 nan 8.240 nan 0.000 0.454 244 I N 0.149 120.685 120.570 -0.056 0.000 3.437 244 I HA 0.124 4.292 4.170 -0.003 0.000 0.274 244 I C 1.378 177.402 176.117 -0.155 0.000 1.215 244 I CA 0.237 61.486 61.300 -0.086 0.000 1.215 244 I CB -0.035 37.899 38.000 -0.110 0.000 1.441 244 I HN 0.179 nan 8.210 nan 0.000 0.677 245 L N -1.292 119.799 121.223 -0.220 0.000 3.370 245 L HA -0.450 3.888 4.340 -0.003 0.000 0.308 245 L C 1.911 178.356 176.870 -0.709 0.000 4.222 245 L CA 1.745 56.288 54.840 -0.495 0.000 1.163 245 L CB -1.363 40.423 42.059 -0.455 0.000 3.373 245 L HN 0.704 nan 8.230 nan 0.000 0.809 246 Q N -0.444 119.131 119.800 -0.375 0.000 2.079 246 Q HA -0.168 4.170 4.340 -0.003 0.000 0.200 246 Q C 2.061 178.044 176.000 -0.029 0.000 0.974 246 Q CA 2.045 57.757 55.803 -0.151 0.000 0.840 246 Q CB 0.017 28.736 28.738 -0.032 0.000 0.898 246 Q HN 0.493 nan 8.270 nan 0.000 0.430 247 S N -0.882 114.805 115.700 -0.021 0.000 2.522 247 S HA -0.060 4.408 4.470 -0.003 0.000 0.227 247 S C 1.238 175.892 174.600 0.089 0.000 0.986 247 S CA 0.248 58.468 58.200 0.034 0.000 0.929 247 S CB -0.129 63.089 63.200 0.029 0.000 0.769 247 S HN 0.441 nan 8.310 nan 0.000 0.529 248 F N 0.965 120.842 119.950 -0.121 0.000 2.220 248 F HA 0.304 4.828 4.527 -0.004 0.000 0.290 248 F C 1.475 177.311 175.800 0.059 0.000 1.080 248 F CA 0.596 58.551 58.000 -0.075 0.000 1.318 248 F CB -0.594 38.313 39.000 -0.154 0.000 1.063 248 F HN 0.263 nan 8.300 nan 0.000 0.498 249 F N 0.312 120.270 119.950 0.014 0.000 2.192 249 F HA -0.216 4.309 4.527 -0.003 0.000 0.301 249 F C 1.751 177.471 175.800 -0.134 0.000 1.079 249 F CA 1.062 59.002 58.000 -0.100 0.000 1.303 249 F CB -0.675 38.315 39.000 -0.017 0.000 1.024 249 F HN 0.040 nan 8.300 nan 0.000 0.494 250 T N -2.230 112.385 114.554 0.102 0.000 3.256 250 T HA 0.251 4.599 4.350 -0.003 0.000 0.237 250 T C 0.380 175.062 174.700 -0.031 0.000 0.908 250 T CA -0.251 61.865 62.100 0.027 0.000 0.966 250 T CB 0.484 69.379 68.868 0.045 0.000 1.134 250 T HN 0.395 nan 8.240 nan 0.000 0.573 251 K N 0.069 120.403 120.400 -0.111 0.000 2.948 251 K HA 0.366 4.684 4.320 -0.003 0.000 0.182 251 K C 0.205 176.673 176.600 -0.221 0.000 1.750 251 K CA -0.272 55.929 56.287 -0.143 0.000 1.390 251 K CB 0.527 32.954 32.500 -0.121 0.000 1.986 251 K HN 0.300 nan 8.250 nan 0.000 0.628 270 F N -0.238 119.792 119.950 0.132 0.000 3.064 270 F HA 0.766 5.291 4.527 -0.003 0.000 0.353 270 F C 0.167 176.009 175.800 0.070 0.000 1.393 270 F CA -0.940 57.127 58.000 0.112 0.000 1.080 270 F CB 0.802 39.906 39.000 0.173 0.000 1.619 270 F HN -0.229 nan 8.300 nan 0.000 0.465 271 V N 0.487 120.585 119.914 0.306 0.000 3.045 271 V HA 0.349 4.467 4.120 -0.003 0.000 0.261 271 V C -2.087 174.076 176.094 0.115 0.000 1.836 271 V CA -1.135 61.255 62.300 0.149 0.000 0.950 271 V CB 1.741 33.631 31.823 0.111 0.000 1.363 271 V HN 0.578 nan 8.190 nan 0.000 0.454 272 L N 4.705 125.944 121.223 0.026 0.000 2.305 272 L HA 0.728 5.066 4.340 -0.003 0.000 0.281 272 L C 0.164 176.995 176.870 -0.065 0.000 1.085 272 L CA -0.242 54.567 54.840 -0.052 0.000 0.813 272 L CB 1.178 43.154 42.059 -0.139 0.000 1.157 272 L HN 0.690 nan 8.230 nan 0.000 0.436 273 R N 1.788 122.202 120.500 -0.143 0.000 2.673 273 R HA 0.545 4.883 4.340 -0.003 0.000 0.281 273 R C -1.366 174.722 176.300 -0.352 0.000 0.991 273 R CA -0.762 55.153 56.100 -0.307 0.000 0.896 273 R CB 2.281 32.368 30.300 -0.356 0.000 1.201 273 R HN 0.389 nan 8.270 nan 0.000 0.457 274 V N 4.031 123.647 119.914 -0.495 0.000 2.479 274 V HA 0.034 4.152 4.120 -0.003 0.000 0.281 274 V C 0.373 176.203 176.094 -0.438 0.000 1.031 274 V CA -0.437 61.522 62.300 -0.570 0.000 1.038 274 V CB 0.406 31.535 31.823 -1.157 0.000 0.981 274 V HN 0.802 nan 8.190 nan 0.000 0.478 275 C N 4.919 124.038 119.300 -0.301 0.000 2.465 275 C HA 0.333 4.791 4.460 -0.003 0.000 0.402 275 C C 1.762 176.615 174.990 -0.227 0.000 1.448 275 C CA 0.609 59.478 59.018 -0.247 0.000 1.589 275 C CB -1.230 26.359 27.740 -0.251 0.000 2.535 275 C HN 1.415 nan 8.230 nan 0.000 0.600 276 G N 3.010 111.694 108.800 -0.193 0.000 2.168 276 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.257 276 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.257 276 G C -0.053 174.726 174.900 -0.202 0.000 0.997 276 G CA 0.607 45.611 45.100 -0.162 0.000 0.708 276 G HN 0.867 nan 8.290 nan 0.000 0.520 277 R N -0.794 119.537 120.500 -0.281 0.000 2.707 277 R HA 0.328 4.666 4.340 -0.003 0.000 0.272 277 R C -1.530 174.561 176.300 -0.347 0.000 1.011 277 R CA -0.965 54.950 56.100 -0.308 0.000 0.893 277 R CB 1.088 31.134 30.300 -0.423 0.000 1.233 277 R HN 0.034 nan 8.270 nan 0.000 0.464 278 D N 2.273 122.512 120.400 -0.270 0.000 2.631 278 D HA 0.095 4.733 4.640 -0.003 0.000 0.227 278 D C -0.808 175.344 176.300 -0.246 0.000 1.146 278 D CA 0.371 54.199 54.000 -0.287 0.000 1.009 278 D CB 0.792 41.535 40.800 -0.095 0.000 1.057 278 D HN 0.253 nan 8.370 nan 0.000 0.509 279 E N 1.353 121.257 120.200 -0.493 0.000 2.373 279 E HA 0.169 4.517 4.350 -0.003 0.000 0.251 279 E C -1.413 174.902 176.600 -0.475 0.000 0.923 279 E CA -0.636 55.569 56.400 -0.325 0.000 0.798 279 E CB 0.382 29.906 29.700 -0.293 0.000 1.303 279 E HN 0.092 nan 8.360 nan 0.000 0.412 280 Y N 3.140 123.339 120.300 -0.168 0.000 2.308 280 Y HA 0.354 4.902 4.550 -0.003 0.000 0.329 280 Y C 0.266 176.126 175.900 -0.066 0.000 1.111 280 Y CA -0.764 57.249 58.100 -0.145 0.000 1.179 280 Y CB 0.993 39.354 38.460 -0.165 0.000 1.201 280 Y HN 0.345 nan 8.280 nan 0.000 0.483 281 L N 5.879 127.073 121.223 -0.048 0.000 2.288 281 L HA 0.527 4.865 4.340 -0.003 0.000 0.283 281 L C -0.456 176.331 176.870 -0.138 0.000 1.072 281 L CA -0.569 54.046 54.840 -0.375 0.000 0.862 281 L CB -0.363 41.224 42.059 -0.786 0.000 1.245 281 L HN 0.511 nan 8.230 nan 0.000 0.432 282 V N -0.316 119.710 119.914 0.187 0.000 3.103 282 V HA 1.015 5.133 4.120 -0.003 0.000 0.311 282 V C 0.285 176.557 176.094 0.297 0.000 1.322 282 V CA -0.416 61.987 62.300 0.172 0.000 1.063 282 V CB 1.026 32.906 31.823 0.094 0.000 1.090 282 V HN 0.801 nan 8.190 nan 0.000 0.462 283 G N 0.318 109.219 108.800 0.169 0.000 2.829 283 G HA2 -0.072 3.886 3.960 -0.003 0.000 0.628 283 G HA3 -0.072 3.886 3.960 -0.003 0.000 0.628 283 G C -0.494 174.494 174.900 0.147 0.000 1.412 283 G CA -0.019 45.165 45.100 0.141 0.000 0.864 283 G HN 1.079 nan 8.290 nan 0.000 0.544 284 E N 1.302 121.560 120.200 0.097 0.000 1.999 284 E HA 0.344 4.692 4.350 -0.003 0.000 0.296 284 E C 0.257 176.905 176.600 0.080 0.000 1.187 284 E CA 0.547 56.997 56.400 0.084 0.000 1.229 284 E CB -0.174 29.558 29.700 0.054 0.000 1.131 284 E HN 0.540 nan 8.360 nan 0.000 0.478 285 T N 1.726 116.363 114.554 0.138 0.000 2.916 285 T HA 0.332 4.680 4.350 -0.003 0.000 0.298 285 T C -2.684 172.137 174.700 0.201 0.000 1.031 285 T CA -1.765 60.391 62.100 0.094 0.000 0.993 285 T CB 2.090 70.893 68.868 -0.108 0.000 1.045 285 T HN -0.033 nan 8.240 nan 0.000 0.454 286 P HA 0.097 nan 4.420 nan 0.000 0.262 286 P C 1.401 178.845 177.300 0.241 0.000 1.199 286 P CA -0.187 62.990 63.100 0.129 0.000 0.763 286 P CB 0.245 31.983 31.700 0.062 0.000 0.790 287 I N 5.203 125.918 120.570 0.242 0.000 2.161 287 I HA -0.414 3.754 4.170 -0.003 0.000 0.246 287 I C 1.635 177.920 176.117 0.281 0.000 1.048 287 I CA 2.250 63.705 61.300 0.258 0.000 1.314 287 I CB -0.139 37.899 38.000 0.063 0.000 1.014 287 I HN 0.364 nan 8.210 nan 0.000 0.418 288 K N 0.330 120.813 120.400 0.137 0.000 2.360 288 K HA -0.139 4.179 4.320 -0.003 0.000 0.201 288 K C 0.938 177.580 176.600 0.071 0.000 1.046 288 K CA 1.653 57.985 56.287 0.074 0.000 0.940 288 K CB -0.622 31.888 32.500 0.017 0.000 0.748 288 K HN 0.368 nan 8.250 nan 0.000 0.465 289 N N 0.399 119.152 118.700 0.088 0.000 2.389 289 N HA 0.125 4.863 4.740 -0.003 0.000 0.237 289 N C -1.353 174.084 175.510 -0.122 0.000 1.148 289 N CA 0.100 53.129 53.050 -0.035 0.000 0.854 289 N CB -0.001 38.429 38.487 -0.095 0.000 1.115 289 N HN 0.103 nan 8.380 nan 0.000 0.492 290 F N 0.856 120.790 119.950 -0.026 0.000 2.426 290 F HA 0.259 4.784 4.527 -0.004 0.000 0.348 290 F C 1.692 177.431 175.800 -0.100 0.000 1.124 290 F CA -0.774 57.216 58.000 -0.016 0.000 1.008 290 F CB 1.586 40.610 39.000 0.041 0.000 1.139 290 F HN -0.122 nan 8.300 nan 0.000 0.452 291 Q N 3.500 123.215 119.800 -0.142 0.000 2.173 291 Q HA -0.308 4.030 4.340 -0.003 0.000 0.208 291 Q C 2.150 178.025 176.000 -0.208 0.000 0.989 291 Q CA 1.822 57.401 55.803 -0.374 0.000 0.872 291 Q CB -0.317 27.756 28.738 -1.108 0.000 0.909 291 Q HN 0.860 nan 8.270 nan 0.000 0.420 292 W N 1.367 122.567 121.300 -0.167 0.000 2.335 292 W HA -0.210 4.449 4.660 -0.003 0.000 0.311 292 W C 1.868 178.343 176.519 -0.073 0.000 1.213 292 W CA 1.608 58.894 57.345 -0.098 0.000 1.274 292 W CB -0.061 29.385 29.460 -0.024 0.000 1.148 292 W HN -0.031 nan 8.180 nan 0.000 0.498 293 V N 1.966 121.880 119.914 -0.001 0.000 2.231 293 V HA -0.351 3.767 4.120 -0.003 0.000 0.248 293 V C 2.584 178.580 176.094 -0.163 0.000 1.054 293 V CA 2.451 64.706 62.300 -0.076 0.000 1.015 293 V CB -1.164 30.684 31.823 0.041 0.000 0.638 293 V HN 0.164 nan 8.190 nan 0.000 0.444 294 R N -0.315 120.107 120.500 -0.129 0.000 2.105 294 R HA -0.237 4.101 4.340 -0.003 0.000 0.239 294 R C 2.390 178.581 176.300 -0.181 0.000 1.135 294 R CA 1.823 57.841 56.100 -0.136 0.000 0.967 294 R CB -0.407 29.819 30.300 -0.125 0.000 0.861 294 R HN 0.635 nan 8.270 nan 0.000 0.442 295 Q N 0.422 120.053 119.800 -0.282 0.000 2.016 295 Q HA -0.158 4.180 4.340 -0.003 0.000 0.200 295 Q C 2.294 178.082 176.000 -0.354 0.000 0.978 295 Q CA 1.750 57.353 55.803 -0.333 0.000 0.833 295 Q CB -0.001 28.459 28.738 -0.462 0.000 0.895 295 Q HN 0.389 nan 8.270 nan 0.000 0.427 296 C N 0.717 119.730 119.300 -0.478 0.000 2.388 296 C HA -0.192 4.266 4.460 -0.003 0.000 0.277 296 C C 2.652 177.512 174.990 -0.216 0.000 1.210 296 C CA 0.704 59.498 59.018 -0.373 0.000 1.743 296 C CB -1.375 26.139 27.740 -0.377 0.000 2.047 296 C HN 0.548 nan 8.230 nan 0.000 0.458 297 L N 0.975 122.088 121.223 -0.183 0.000 1.991 297 L HA -0.280 4.058 4.340 -0.003 0.000 0.221 297 L C 2.727 179.538 176.870 -0.098 0.000 1.079 297 L CA 2.175 56.937 54.840 -0.130 0.000 0.778 297 L CB -0.933 41.058 42.059 -0.113 0.000 0.893 297 L HN 0.432 nan 8.230 nan 0.000 0.437 298 K N -0.010 120.341 120.400 -0.081 0.000 2.280 298 K HA -0.181 4.137 4.320 -0.003 0.000 0.202 298 K C 1.361 177.907 176.600 -0.089 0.000 1.047 298 K CA 1.343 57.602 56.287 -0.047 0.000 0.942 298 K CB -0.005 32.489 32.500 -0.009 0.000 0.739 298 K HN 0.215 nan 8.250 nan 0.000 0.457 299 N N -0.084 118.546 118.700 -0.118 0.000 2.280 299 N HA 0.066 4.804 4.740 -0.003 0.000 0.192 299 N C -0.212 175.247 175.510 -0.086 0.000 1.109 299 N CA 0.719 53.702 53.050 -0.112 0.000 0.855 299 N CB 0.698 39.093 38.487 -0.153 0.000 0.974 299 N HN 0.319 nan 8.380 nan 0.000 0.482 300 G N 1.107 109.856 108.800 -0.085 0.000 2.393 300 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.299 300 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.299 300 G C -0.507 174.364 174.900 -0.049 0.000 0.990 300 G CA 0.459 45.520 45.100 -0.065 0.000 1.118 300 G HN 0.366 nan 8.290 nan 0.000 0.513 301 E N -0.130 120.030 120.200 -0.068 0.000 2.277 301 E HA 0.328 4.676 4.350 -0.003 0.000 0.266 301 E C -0.129 176.457 176.600 -0.023 0.000 0.901 301 E CA -0.916 55.468 56.400 -0.027 0.000 0.782 301 E CB 1.633 31.306 29.700 -0.046 0.000 1.228 301 E HN 0.572 nan 8.360 nan 0.000 0.424 302 E N 1.672 121.900 120.200 0.046 0.000 2.324 302 E HA 0.163 4.511 4.350 -0.003 0.000 0.271 302 E C -0.132 176.441 176.600 -0.043 0.000 1.028 302 E CA -0.024 56.356 56.400 -0.035 0.000 0.890 302 E CB 0.565 30.238 29.700 -0.045 0.000 1.004 302 E HN 0.309 nan 8.360 nan 0.000 0.431 303 I N 4.204 124.718 120.570 -0.094 0.000 2.293 303 I HA 0.037 4.205 4.170 -0.003 0.000 0.299 303 I C -0.273 175.827 176.117 -0.029 0.000 1.153 303 I CA -0.107 61.209 61.300 0.025 0.000 1.302 303 I CB -0.562 37.448 38.000 0.017 0.000 1.460 303 I HN 0.374 nan 8.210 nan 0.000 0.552 304 H N 6.615 125.754 119.070 0.116 0.000 2.594 304 H HA 0.538 5.092 4.556 -0.004 0.000 0.304 304 H C -0.529 174.716 175.328 -0.138 0.000 1.068 304 H CA -0.332 55.700 56.048 -0.028 0.000 1.308 304 H CB 0.710 30.399 29.762 -0.121 0.000 1.409 304 H HN 0.432 nan 8.280 nan 0.000 0.460 305 L N 3.331 124.513 121.223 -0.069 0.000 2.333 305 L HA 0.460 4.798 4.340 -0.003 0.000 0.280 305 L C -0.343 176.443 176.870 -0.141 0.000 1.004 305 L CA -1.085 53.671 54.840 -0.139 0.000 0.820 305 L CB 1.761 43.740 42.059 -0.133 0.000 1.247 305 L HN 0.338 nan 8.230 nan 0.000 0.416 306 V N 4.082 123.905 119.914 -0.152 0.000 2.567 306 V HA 0.371 4.489 4.120 -0.003 0.000 0.289 306 V C -0.302 175.779 176.094 -0.021 0.000 1.049 306 V CA -0.580 61.679 62.300 -0.067 0.000 0.969 306 V CB 1.950 33.730 31.823 -0.072 0.000 0.995 306 V HN 0.595 nan 8.190 nan 0.000 0.471 307 L N 7.809 129.056 121.223 0.040 0.000 2.260 307 L HA 0.533 4.871 4.340 -0.003 0.000 0.289 307 L C -0.296 176.699 176.870 0.208 0.000 1.057 307 L CA 0.394 55.295 54.840 0.102 0.000 0.811 307 L CB 0.505 42.613 42.059 0.081 0.000 1.184 307 L HN 0.877 nan 8.230 nan 0.000 0.429 308 D N 1.772 122.311 120.400 0.232 0.000 2.592 308 D HA 0.312 4.950 4.640 -0.003 0.000 0.263 308 D C -0.857 175.547 176.300 0.173 0.000 1.132 308 D CA -0.611 53.524 54.000 0.224 0.000 0.996 308 D CB 1.114 41.984 40.800 0.117 0.000 1.442 308 D HN 0.300 nan 8.370 nan 0.000 0.486 309 T N 1.141 115.707 114.554 0.020 0.000 2.919 309 T HA 0.382 4.730 4.350 -0.003 0.000 0.302 309 T C -2.252 172.416 174.700 -0.054 0.000 1.031 309 T CA -0.615 61.402 62.100 -0.138 0.000 1.127 309 T CB 0.671 69.413 68.868 -0.210 0.000 0.952 309 T HN 0.204 nan 8.240 nan 0.000 0.540 310 P HA 0.188 nan 4.420 nan 0.000 0.268 310 P C -2.106 175.101 177.300 -0.154 0.000 1.205 310 P CA -1.083 61.927 63.100 -0.150 0.000 0.771 310 P CB -0.226 31.384 31.700 -0.149 0.000 0.858 311 P HA 0.080 nan 4.420 nan 0.000 0.272 311 P C -0.743 176.484 177.300 -0.122 0.000 1.223 311 P CA 0.059 63.075 63.100 -0.139 0.000 0.784 311 P CB 0.549 32.158 31.700 -0.151 0.000 0.923 312 D N 2.412 122.764 120.400 -0.079 0.000 2.347 312 D HA 0.125 4.763 4.640 -0.003 0.000 0.235 312 D C -1.222 175.052 176.300 -0.043 0.000 1.149 312 D CA -2.427 51.536 54.000 -0.061 0.000 0.850 312 D CB 0.578 41.347 40.800 -0.051 0.000 1.061 312 D HN 0.106 nan 8.370 nan 0.000 0.487 313 P HA -0.238 nan 4.420 nan 0.000 0.219 313 P C 0.988 178.290 177.300 0.003 0.000 1.144 313 P CA 0.888 63.988 63.100 -0.000 0.000 0.806 313 P CB 0.082 31.787 31.700 0.008 0.000 0.771 314 A N -0.220 122.591 122.820 -0.014 0.000 2.131 314 A HA -0.127 4.191 4.320 -0.003 0.000 0.220 314 A C 2.237 179.812 177.584 -0.015 0.000 1.158 314 A CA 1.085 53.112 52.037 -0.017 0.000 0.665 314 A CB -1.427 17.557 19.000 -0.026 0.000 0.795 314 A HN 0.218 nan 8.150 nan 0.000 0.460 315 L N -0.735 120.480 121.223 -0.013 0.000 2.395 315 L HA -0.038 4.300 4.340 -0.003 0.000 0.218 315 L C 0.682 177.556 176.870 0.006 0.000 1.130 315 L CA 0.557 55.389 54.840 -0.013 0.000 0.826 315 L CB -0.262 41.785 42.059 -0.020 0.000 0.941 315 L HN 0.221 nan 8.230 nan 0.000 0.451 316 D N 0.084 120.503 120.400 0.032 0.000 2.325 316 D HA -0.016 4.622 4.640 -0.003 0.000 0.225 316 D C 0.591 176.922 176.300 0.051 0.000 1.096 316 D CA 0.081 54.130 54.000 0.081 0.000 0.844 316 D CB 0.053 40.971 40.800 0.196 0.000 0.925 316 D HN 0.338 nan 8.370 nan 0.000 0.513 317 E N 1.218 121.426 120.200 0.014 0.000 2.558 317 E HA 0.013 4.361 4.350 -0.003 0.000 0.255 317 E C -0.419 176.173 176.600 -0.013 0.000 0.968 317 E CA 0.009 56.404 56.400 -0.009 0.000 0.939 317 E CB 0.712 30.397 29.700 -0.024 0.000 0.921 317 E HN -0.193 nan 8.360 nan 0.000 0.477 318 V N 5.450 125.348 119.914 -0.027 0.000 2.567 318 V HA 0.225 4.343 4.120 -0.003 0.000 0.289 318 V C 0.940 177.001 176.094 -0.055 0.000 1.049 318 V CA -0.419 61.864 62.300 -0.028 0.000 0.969 318 V CB 1.395 33.195 31.823 -0.037 0.000 0.995 318 V HN 0.753 nan 8.190 nan 0.000 0.471 319 R N 2.234 122.688 120.500 -0.078 0.000 2.863 319 R HA 0.154 4.492 4.340 -0.003 0.000 0.273 319 R C 0.078 176.305 176.300 -0.122 0.000 1.057 319 R CA -0.429 55.565 56.100 -0.176 0.000 1.191 319 R CB 0.389 30.435 30.300 -0.423 0.000 1.104 319 R HN 0.741 nan 8.270 nan 0.000 0.519 320 K N 1.637 121.951 120.400 -0.144 0.000 2.379 320 K HA 0.063 4.381 4.320 -0.003 0.000 0.284 320 K C -0.197 176.366 176.600 -0.062 0.000 1.044 320 K CA -0.331 55.902 56.287 -0.091 0.000 0.974 320 K CB 0.865 33.311 32.500 -0.091 0.000 0.962 320 K HN 0.323 nan 8.250 nan 0.000 0.474 353 S N 0.503 116.234 115.700 0.051 0.000 2.397 353 S HA 0.875 5.343 4.470 -0.003 0.000 0.261 353 S C 0.012 174.648 174.600 0.059 0.000 1.187 353 S CA 0.218 58.459 58.200 0.069 0.000 1.023 353 S CB 1.057 64.329 63.200 0.120 0.000 1.103 353 S HN 0.404 nan 8.310 nan 0.000 0.474 354 L N -1.903 119.372 121.223 0.087 0.000 2.363 354 L HA 0.446 4.784 4.340 -0.003 0.000 0.239 354 L C 1.006 177.949 176.870 0.122 0.000 1.172 354 L CA -0.956 53.920 54.840 0.060 0.000 1.126 354 L CB -0.394 41.728 42.059 0.104 0.000 1.616 354 L HN 0.582 nan 8.230 nan 0.000 0.457 355 W N 1.945 123.283 121.300 0.063 0.000 2.280 355 W HA -0.229 4.429 4.660 -0.003 0.000 0.332 355 W C 0.311 176.860 176.519 0.051 0.000 1.300 355 W CA 2.149 59.525 57.345 0.052 0.000 1.274 355 W CB -0.875 28.606 29.460 0.035 0.000 1.141 355 W HN 0.777 nan 8.180 nan 0.000 0.474 356 D N -0.444 120.148 120.400 0.319 0.000 2.659 356 D HA -0.026 4.612 4.640 -0.003 0.000 0.264 356 D C -0.310 176.077 176.300 0.145 0.000 1.329 356 D CA 0.346 54.457 54.000 0.185 0.000 0.963 356 D CB -0.466 40.422 40.800 0.146 0.000 1.136 356 D HN -0.113 nan 8.370 nan 0.000 0.554 357 C N 2.962 122.328 119.300 0.109 0.000 2.993 357 C HA 0.078 4.536 4.460 -0.003 0.000 0.298 357 C C 0.798 175.810 174.990 0.038 0.000 0.906 357 C CA -0.815 58.236 59.018 0.055 0.000 1.090 357 C CB -0.286 27.496 27.740 0.070 0.000 1.656 357 C HN 0.721 nan 8.230 nan 0.000 0.648 358 D N 1.142 121.557 120.400 0.025 0.000 2.384 358 D HA -0.057 4.581 4.640 -0.003 0.000 0.222 358 D C 1.423 177.723 176.300 -0.001 0.000 0.976 358 D CA 1.012 55.020 54.000 0.014 0.000 0.915 358 D CB 0.250 41.053 40.800 0.006 0.000 0.896 358 D HN 0.448 nan 8.370 nan 0.000 0.523 359 R N 0.787 121.273 120.500 -0.023 0.000 2.822 359 R HA 0.140 4.478 4.340 -0.003 0.000 0.277 359 R C 0.270 176.569 176.300 -0.002 0.000 1.102 359 R CA 0.035 56.110 56.100 -0.041 0.000 1.207 359 R CB 0.341 30.580 30.300 -0.103 0.000 1.139 359 R HN -0.191 nan 8.270 nan 0.000 0.557 360 K N 0.519 120.918 120.400 -0.001 0.000 2.362 360 K HA 0.227 4.545 4.320 -0.003 0.000 0.245 360 K C -0.329 176.329 176.600 0.096 0.000 1.040 360 K CA -0.306 56.022 56.287 0.067 0.000 0.961 360 K CB 0.211 32.752 32.500 0.067 0.000 1.252 360 K HN 0.466 nan 8.250 nan 0.000 0.503 361 F N 0.900 120.902 119.950 0.087 0.000 2.458 361 F HA 0.431 4.956 4.527 -0.004 0.000 0.330 361 F C -0.195 175.766 175.800 0.267 0.000 1.082 361 F CA -0.593 57.481 58.000 0.123 0.000 0.995 361 F CB 1.160 40.195 39.000 0.059 0.000 1.170 361 F HN 0.474 nan 8.300 nan 0.000 0.478 362 R N 3.865 124.041 120.500 -0.540 0.000 2.710 362 R HA 0.848 5.186 4.340 -0.003 0.000 0.270 362 R C -2.430 173.864 176.300 -0.010 0.000 1.021 362 R CA -1.155 54.938 56.100 -0.012 0.000 0.889 362 R CB 1.850 32.156 30.300 0.009 0.000 1.243 362 R HN 0.601 nan 8.270 nan 0.000 0.464 363 V N 0.569 120.709 119.914 0.378 0.000 3.012 363 V HA 0.510 4.628 4.120 -0.003 0.000 0.307 363 V C -1.451 174.685 176.094 0.069 0.000 1.166 363 V CA -0.857 61.606 62.300 0.270 0.000 0.974 363 V CB 2.514 34.552 31.823 0.358 0.000 1.040 363 V HN 0.821 nan 8.190 nan 0.000 0.428 364 K N 5.290 125.488 120.400 -0.336 0.000 2.206 364 K HA 0.597 4.915 4.320 -0.003 0.000 0.264 364 K C -1.097 175.353 176.600 -0.251 0.000 0.967 364 K CA -0.739 55.210 56.287 -0.564 0.000 0.844 364 K CB 1.256 33.054 32.500 -1.169 0.000 1.099 364 K HN 0.551 nan 8.250 nan 0.000 0.441 365 I N 6.470 126.947 120.570 -0.155 0.000 2.310 365 I HA 0.177 4.345 4.170 -0.003 0.000 0.287 365 I C 1.232 177.366 176.117 0.028 0.000 1.073 365 I CA -0.212 61.058 61.300 -0.050 0.000 1.216 365 I CB 0.449 38.400 38.000 -0.082 0.000 1.415 365 I HN 0.717 nan 8.210 nan 0.000 0.480 366 R N 3.668 124.167 120.500 -0.002 0.000 2.062 366 R HA 0.213 4.551 4.340 -0.003 0.000 0.231 366 R C 0.957 177.328 176.300 0.118 0.000 1.136 366 R CA 0.770 56.883 56.100 0.022 0.000 0.948 366 R CB 0.039 30.323 30.300 -0.026 0.000 0.845 366 R HN 0.687 nan 8.270 nan 0.000 0.430 367 G N 0.567 109.451 108.800 0.140 0.000 2.328 367 G HA2 0.369 4.327 3.960 -0.003 0.000 0.295 367 G HA3 0.369 4.327 3.960 -0.003 0.000 0.295 367 G C -1.545 173.439 174.900 0.140 0.000 1.413 367 G CA -0.895 44.322 45.100 0.195 0.000 0.817 367 G HN 0.191 nan 8.290 nan 0.000 0.546 368 I N -1.640 119.020 120.570 0.149 0.000 2.530 368 I HA 0.808 4.976 4.170 -0.003 0.000 0.297 368 I C -1.610 174.512 176.117 0.008 0.000 1.011 368 I CA -1.063 60.278 61.300 0.068 0.000 1.107 368 I CB 2.359 40.424 38.000 0.109 0.000 1.285 368 I HN 0.268 nan 8.210 nan 0.000 0.436 369 D N 6.575 126.950 120.400 -0.041 0.000 2.549 369 D HA 0.566 5.204 4.640 -0.003 0.000 0.251 369 D C -0.929 175.336 176.300 -0.057 0.000 1.153 369 D CA -0.052 53.919 54.000 -0.048 0.000 0.861 369 D CB 2.616 43.385 40.800 -0.051 0.000 1.207 369 D HN 0.591 nan 8.370 nan 0.000 0.543 370 I N 2.664 123.203 120.570 -0.053 0.000 2.448 370 I HA 0.329 4.497 4.170 -0.003 0.000 0.281 370 I C -2.160 173.923 176.117 -0.055 0.000 1.027 370 I CA -2.477 58.791 61.300 -0.054 0.000 1.111 370 I CB 2.270 40.231 38.000 -0.064 0.000 1.236 370 I HN 0.118 nan 8.210 nan 0.000 0.452 371 P HA -0.063 nan 4.420 nan 0.000 0.227 371 P C -0.592 176.681 177.300 -0.046 0.000 1.145 371 P CA 1.013 64.093 63.100 -0.034 0.000 0.769 371 P CB -0.036 31.655 31.700 -0.015 0.000 0.769 372 V N -1.831 118.051 119.914 -0.054 0.000 3.216 372 V HA 0.491 4.609 4.120 -0.003 0.000 0.302 372 V C -0.716 175.313 176.094 -0.109 0.000 1.286 372 V CA -1.052 61.210 62.300 -0.063 0.000 1.048 372 V CB 2.375 34.186 31.823 -0.020 0.000 1.081 372 V HN -0.203 nan 8.190 nan 0.000 0.442 373 L N 0.833 121.976 121.223 -0.133 0.000 2.409 373 L HA 0.961 5.299 4.340 -0.003 0.000 0.255 373 L C -2.888 173.933 176.870 -0.081 0.000 1.027 373 L CA -1.551 53.159 54.840 -0.217 0.000 0.834 373 L CB 1.534 43.323 42.059 -0.450 0.000 1.426 373 L HN 0.445 nan 8.230 nan 0.000 0.411 374 P HA 0.249 nan 4.420 nan 0.000 0.265 374 P C 0.101 177.419 177.300 0.030 0.000 1.193 374 P CA -0.209 62.929 63.100 0.063 0.000 0.765 374 P CB 0.693 32.490 31.700 0.162 0.000 0.823 375 R N 1.335 121.856 120.500 0.035 0.000 2.096 375 R HA -0.143 4.194 4.340 -0.003 0.000 0.240 375 R C 1.173 177.492 176.300 0.031 0.000 1.139 375 R CA 1.815 57.929 56.100 0.025 0.000 0.952 375 R CB -1.463 28.854 30.300 0.028 0.000 0.854 375 R HN 0.391 nan 8.270 nan 0.000 0.436 376 T N 0.783 115.367 114.554 0.050 0.000 4.508 376 T HA 0.407 4.755 4.350 -0.003 0.000 0.232 376 T C 0.542 175.282 174.700 0.067 0.000 1.027 376 T CA 0.040 62.173 62.100 0.056 0.000 0.999 376 T CB -0.612 68.294 68.868 0.064 0.000 1.402 376 T HN 0.486 nan 8.240 nan 0.000 1.003 377 A N 2.549 125.395 122.820 0.044 0.000 2.325 377 A HA 0.255 4.573 4.320 -0.003 0.000 0.283 377 A C 0.868 178.490 177.584 0.064 0.000 1.211 377 A CA 0.164 52.224 52.037 0.039 0.000 0.850 377 A CB -0.395 18.607 19.000 0.004 0.000 1.122 377 A HN 0.783 nan 8.150 nan 0.000 0.515 378 D N -2.265 118.170 120.400 0.059 0.000 2.990 378 D HA -0.099 4.539 4.640 -0.003 0.000 0.245 378 D C -0.586 175.782 176.300 0.112 0.000 1.120 378 D CA 1.139 55.183 54.000 0.072 0.000 0.838 378 D CB -1.399 39.433 40.800 0.054 0.000 1.000 378 D HN 0.516 nan 8.370 nan 0.000 0.420 379 L N -0.551 120.775 121.223 0.171 0.000 2.235 379 L HA 0.775 5.113 4.340 -0.003 0.000 0.260 379 L C 0.755 177.757 176.870 0.219 0.000 1.025 379 L CA -0.913 54.056 54.840 0.214 0.000 0.836 379 L CB 2.115 44.372 42.059 0.329 0.000 1.395 379 L HN 0.123 nan 8.230 nan 0.000 0.443 380 T N 0.615 115.278 114.554 0.181 0.000 2.916 380 T HA 0.699 5.047 4.350 -0.003 0.000 0.298 380 T C -1.346 173.428 174.700 0.122 0.000 1.031 380 T CA -0.490 61.717 62.100 0.177 0.000 0.993 380 T CB 1.505 70.475 68.868 0.172 0.000 1.045 380 T HN 0.601 nan 8.240 nan 0.000 0.454 381 V N 2.839 122.843 119.914 0.149 0.000 3.049 381 V HA 1.029 5.147 4.120 -0.003 0.000 0.309 381 V C -1.486 174.789 176.094 0.303 0.000 1.148 381 V CA -1.288 61.036 62.300 0.040 0.000 0.990 381 V CB 1.608 33.267 31.823 -0.274 0.000 1.039 381 V HN 1.027 nan 8.190 nan 0.000 0.430 382 F N 0.857 120.888 119.950 0.136 0.000 2.645 382 F HA 0.922 5.447 4.527 -0.003 0.000 0.310 382 F C -1.175 174.536 175.800 -0.148 0.000 1.102 382 F CA -1.308 56.680 58.000 -0.020 0.000 0.952 382 F CB 1.512 40.498 39.000 -0.023 0.000 1.326 382 F HN 0.455 nan 8.300 nan 0.000 0.456 383 V N 1.613 121.360 119.914 -0.279 0.000 2.465 383 V HA 0.354 4.471 4.120 -0.003 0.000 0.279 383 V C -0.449 175.684 176.094 0.066 0.000 1.045 383 V CA -0.425 61.758 62.300 -0.195 0.000 0.938 383 V CB 1.323 32.920 31.823 -0.377 0.000 0.986 383 V HN 0.859 nan 8.190 nan 0.000 0.467 384 E N 3.284 123.576 120.200 0.154 0.000 2.199 384 E HA 0.695 5.043 4.350 -0.003 0.000 0.265 384 E C -0.923 175.791 176.600 0.189 0.000 0.882 384 E CA -0.730 55.823 56.400 0.254 0.000 0.759 384 E CB 1.771 31.759 29.700 0.480 0.000 1.148 384 E HN 0.788 nan 8.360 nan 0.000 0.412 385 A N 4.810 127.748 122.820 0.196 0.000 2.291 385 A HA 0.509 4.827 4.320 -0.003 0.000 0.311 385 A C -1.101 176.740 177.584 0.429 0.000 1.224 385 A CA -0.895 51.320 52.037 0.296 0.000 0.821 385 A CB 0.622 19.844 19.000 0.370 0.000 1.172 385 A HN 0.622 nan 8.150 nan 0.000 0.494 386 N N 2.078 120.945 118.700 0.278 0.000 2.321 386 N HA 0.396 5.134 4.740 -0.003 0.000 0.299 386 N C -0.836 174.675 175.510 0.002 0.000 1.048 386 N CA -0.575 52.601 53.050 0.211 0.000 0.836 386 N CB 1.697 40.274 38.487 0.150 0.000 1.269 386 N HN 0.476 nan 8.380 nan 0.000 0.486 387 I N 1.973 122.468 120.570 -0.126 0.000 2.269 387 I HA 0.144 4.312 4.170 -0.003 0.000 0.293 387 I C 0.596 176.645 176.117 -0.114 0.000 1.106 387 I CA -0.056 61.063 61.300 -0.302 0.000 1.248 387 I CB -0.183 37.534 38.000 -0.471 0.000 1.444 387 I HN 0.312 nan 8.210 nan 0.000 0.497 388 Q N 4.383 124.142 119.800 -0.068 0.000 2.221 388 Q HA 0.448 4.785 4.340 -0.003 0.000 0.242 388 Q C -1.546 174.494 176.000 0.066 0.000 0.940 388 Q CA -0.388 55.414 55.803 -0.002 0.000 0.896 388 Q CB 2.166 30.896 28.738 -0.013 0.000 1.226 388 Q HN 0.464 nan 8.270 nan 0.000 0.463 389 Y N -0.907 119.330 120.300 -0.105 0.000 2.376 389 Y HA 0.335 4.883 4.550 -0.003 0.000 0.321 389 Y C 0.082 175.886 175.900 -0.160 0.000 1.189 389 Y CA 0.174 58.190 58.100 -0.139 0.000 1.069 389 Y CB 1.573 39.966 38.460 -0.112 0.000 1.292 389 Y HN 0.751 nan 8.280 nan 0.000 0.430 390 G N 4.857 113.387 108.800 -0.449 0.000 2.390 390 G HA2 -0.349 3.609 3.960 -0.003 0.000 0.299 390 G HA3 -0.349 3.609 3.960 -0.003 0.000 0.299 390 G C 0.465 175.220 174.900 -0.241 0.000 1.002 390 G CA 1.439 46.294 45.100 -0.408 0.000 0.979 390 G HN 1.167 nan 8.290 nan 0.000 0.513 391 Q N -2.603 117.102 119.800 -0.158 0.000 2.416 391 Q HA -0.268 4.070 4.340 -0.003 0.000 0.235 391 Q C 0.524 176.489 176.000 -0.059 0.000 0.773 391 Q CA 2.158 57.901 55.803 -0.100 0.000 1.286 391 Q CB -0.855 27.806 28.738 -0.130 0.000 1.556 391 Q HN 0.973 nan 8.270 nan 0.000 0.650 392 Q N 0.169 119.946 119.800 -0.037 0.000 2.312 392 Q HA 0.585 4.923 4.340 -0.003 0.000 0.263 392 Q C -1.221 174.799 176.000 0.033 0.000 0.995 392 Q CA -0.338 55.468 55.803 0.005 0.000 0.853 392 Q CB 2.092 30.849 28.738 0.031 0.000 1.300 392 Q HN 0.174 nan 8.270 nan 0.000 0.448 393 V N 6.722 126.658 119.914 0.036 0.000 2.364 393 V HA 0.215 4.333 4.120 -0.003 0.000 0.272 393 V C 0.381 176.501 176.094 0.043 0.000 1.036 393 V CA -0.058 62.270 62.300 0.045 0.000 0.880 393 V CB 0.622 32.483 31.823 0.062 0.000 0.991 393 V HN 1.009 nan 8.190 nan 0.000 0.460 394 L N 5.284 126.525 121.223 0.031 0.000 2.127 394 L HA 0.248 4.586 4.340 -0.003 0.000 0.203 394 L C 1.053 177.950 176.870 0.045 0.000 1.080 394 L CA 0.847 55.698 54.840 0.018 0.000 0.768 394 L CB 0.016 42.062 42.059 -0.022 0.000 0.924 394 L HN 0.692 nan 8.230 nan 0.000 0.444 395 C N -1.092 118.256 119.300 0.080 0.000 3.171 395 C HA 0.610 5.068 4.460 -0.003 0.000 0.308 395 C C -1.313 173.863 174.990 0.309 0.000 1.334 395 C CA -0.394 58.742 59.018 0.196 0.000 1.473 395 C CB 2.029 29.940 27.740 0.285 0.000 1.866 395 C HN 0.455 nan 8.230 nan 0.000 0.465 396 Q N 2.723 122.717 119.800 0.323 0.000 2.386 396 Q HA 0.667 5.005 4.340 -0.003 0.000 0.274 396 Q C -1.623 174.389 176.000 0.020 0.000 1.011 396 Q CA -0.571 55.394 55.803 0.270 0.000 0.867 396 Q CB 1.640 30.470 28.738 0.152 0.000 1.409 396 Q HN 0.771 nan 8.270 nan 0.000 0.395 397 R N 1.722 122.165 120.500 -0.094 0.000 2.707 397 R HA 0.608 4.946 4.340 -0.003 0.000 0.272 397 R C -0.944 175.283 176.300 -0.122 0.000 1.011 397 R CA -0.545 55.408 56.100 -0.245 0.000 0.893 397 R CB 2.128 32.090 30.300 -0.563 0.000 1.233 397 R HN 0.800 nan 8.270 nan 0.000 0.464 398 R N -0.618 119.804 120.500 -0.132 0.000 3.151 398 R HA 0.674 5.011 4.340 -0.003 0.000 0.231 398 R C -0.273 175.921 176.300 -0.177 0.000 1.511 398 R CA -0.675 55.364 56.100 -0.103 0.000 1.047 398 R CB 1.567 31.771 30.300 -0.160 0.000 1.565 398 R HN 0.793 nan 8.270 nan 0.000 0.513 399 T N -2.215 112.208 114.554 -0.218 0.000 2.841 399 T HA 0.354 4.702 4.350 -0.003 0.000 0.296 399 T C -0.379 174.228 174.700 -0.155 0.000 1.166 399 T CA -0.978 60.931 62.100 -0.318 0.000 1.007 399 T CB 1.393 69.691 68.868 -0.950 0.000 1.253 399 T HN 0.573 nan 8.240 nan 0.000 0.511 400 S N 0.809 116.543 115.700 0.057 0.000 2.580 400 S HA 0.550 5.018 4.470 -0.003 0.000 0.274 400 S C -2.703 172.131 174.600 0.391 0.000 1.329 400 S CA -0.979 57.330 58.200 0.181 0.000 1.036 400 S CB -0.189 63.154 63.200 0.239 0.000 0.919 400 S HN 0.635 nan 8.310 nan 0.000 0.515 401 P HA 0.389 nan 4.420 nan 0.000 0.272 401 P C -0.710 176.787 177.300 0.328 0.000 1.223 401 P CA -0.455 62.872 63.100 0.377 0.000 0.784 401 P CB 0.402 32.252 31.700 0.249 0.000 0.923 402 K N 1.599 122.191 120.400 0.320 0.000 2.556 402 K HA 0.431 4.749 4.320 -0.003 0.000 0.274 402 K C -2.810 173.884 176.600 0.156 0.000 0.966 402 K CA -2.182 54.201 56.287 0.160 0.000 0.865 402 K CB 1.936 34.435 32.500 -0.001 0.000 1.444 402 K HN 0.279 nan 8.250 nan 0.000 0.433 403 P HA -0.030 nan 4.420 nan 0.000 0.269 403 P C -0.648 176.778 177.300 0.210 0.000 1.209 403 P CA -0.183 62.999 63.100 0.137 0.000 0.776 403 P CB 0.366 32.111 31.700 0.075 0.000 0.876 404 F N 2.690 122.659 119.950 0.032 0.000 2.494 404 F HA 0.228 4.753 4.527 -0.004 0.000 0.351 404 F C 0.584 176.381 175.800 -0.006 0.000 1.205 404 F CA -0.088 57.926 58.000 0.022 0.000 1.125 404 F CB -0.801 38.227 39.000 0.047 0.000 1.268 404 F HN 0.137 nan 8.300 nan 0.000 0.593 405 T N 4.176 118.734 114.554 0.007 0.000 2.950 405 T HA 0.231 4.579 4.350 -0.003 0.000 0.288 405 T C 1.166 175.753 174.700 -0.189 0.000 1.035 405 T CA -0.590 61.431 62.100 -0.132 0.000 1.028 405 T CB 1.004 69.829 68.868 -0.072 0.000 1.109 405 T HN 0.546 nan 8.240 nan 0.000 0.514 406 E N 1.156 121.247 120.200 -0.181 0.000 2.331 406 E HA -0.082 4.266 4.350 -0.003 0.000 0.199 406 E C 0.500 177.045 176.600 -0.091 0.000 1.008 406 E CA 0.860 57.169 56.400 -0.152 0.000 0.843 406 E CB 0.221 29.851 29.700 -0.117 0.000 0.761 406 E HN 0.637 nan 8.360 nan 0.000 0.507 407 E N 0.411 120.564 120.200 -0.078 0.000 2.317 407 E HA 0.282 4.630 4.350 -0.003 0.000 0.270 407 E C -1.698 174.847 176.600 -0.092 0.000 0.899 407 E CA -0.267 56.093 56.400 -0.066 0.000 0.814 407 E CB 1.825 31.485 29.700 -0.066 0.000 1.296 407 E HN -0.205 nan 8.360 nan 0.000 0.404 408 V N 5.963 125.819 119.914 -0.097 0.000 2.357 408 V HA 0.405 4.523 4.120 -0.003 0.000 0.284 408 V C 0.290 176.172 176.094 -0.353 0.000 1.018 408 V CA -0.585 61.555 62.300 -0.267 0.000 0.841 408 V CB 1.169 32.800 31.823 -0.321 0.000 0.991 408 V HN 0.651 nan 8.190 nan 0.000 0.437 409 L N 3.393 124.365 121.223 -0.419 0.000 2.387 409 L HA 0.539 4.877 4.340 -0.003 0.000 0.266 409 L C 0.379 176.951 176.870 -0.497 0.000 1.059 409 L CA -0.245 54.417 54.840 -0.296 0.000 0.801 409 L CB 1.962 43.918 42.059 -0.172 0.000 1.223 409 L HN 0.682 nan 8.230 nan 0.000 0.456 410 W N -0.587 120.703 121.300 -0.016 0.000 5.233 410 W HA 0.015 4.673 4.660 -0.004 0.000 0.164 410 W C 0.745 177.243 176.519 -0.035 0.000 1.120 410 W CA 0.070 57.407 57.345 -0.014 0.000 1.836 410 W CB -0.001 29.454 29.460 -0.009 0.000 0.544 410 W HN 0.687 nan 8.180 nan 0.000 1.083 411 N N 1.303 120.098 118.700 0.158 0.000 2.710 411 N HA -0.181 4.557 4.740 -0.003 0.000 0.249 411 N C -0.992 174.523 175.510 0.008 0.000 1.059 411 N CA 0.790 53.851 53.050 0.019 0.000 0.720 411 N CB -1.044 37.444 38.487 0.002 0.000 0.983 411 N HN -0.179 nan 8.380 nan 0.000 0.544 412 V N 0.634 120.587 119.914 0.065 0.000 2.407 412 V HA 0.356 4.474 4.120 -0.003 0.000 0.278 412 V C 0.610 176.711 176.094 0.013 0.000 1.037 412 V CA -0.598 61.750 62.300 0.080 0.000 0.900 412 V CB 0.651 32.549 31.823 0.125 0.000 0.983 412 V HN 0.232 nan 8.190 nan 0.000 0.459 413 W N 4.736 126.047 121.300 0.018 0.000 2.287 413 W HA 0.556 5.214 4.660 -0.003 0.000 0.313 413 W C -0.163 176.327 176.519 -0.047 0.000 1.267 413 W CA -0.337 57.002 57.345 -0.009 0.000 1.201 413 W CB 0.849 30.301 29.460 -0.014 0.000 1.196 413 W HN 0.358 nan 8.180 nan 0.000 0.536 414 L N 3.650 125.033 121.223 0.266 0.000 2.287 414 L HA 0.331 4.669 4.340 -0.003 0.000 0.287 414 L C -0.144 176.746 176.870 0.034 0.000 1.022 414 L CA -0.867 53.992 54.840 0.031 0.000 0.814 414 L CB 1.468 43.470 42.059 -0.095 0.000 1.217 414 L HN 0.337 nan 8.230 nan 0.000 0.420 415 E N 2.547 122.708 120.200 -0.065 0.000 2.175 415 E HA 0.483 4.830 4.350 -0.003 0.000 0.278 415 E C -1.414 175.134 176.600 -0.086 0.000 0.969 415 E CA -0.310 56.079 56.400 -0.018 0.000 0.796 415 E CB 1.128 30.811 29.700 -0.029 0.000 1.104 415 E HN 0.174 nan 8.360 nan 0.000 0.395 416 F N 1.663 121.691 119.950 0.131 0.000 2.425 416 F HA 0.195 4.720 4.527 -0.003 0.000 0.331 416 F C 1.467 177.319 175.800 0.086 0.000 1.085 416 F CA -0.407 57.675 58.000 0.136 0.000 1.028 416 F CB 1.837 40.972 39.000 0.225 0.000 1.177 416 F HN 0.583 nan 8.300 nan 0.000 0.487 417 S N 1.817 117.661 115.700 0.240 0.000 2.786 417 S HA 0.107 4.575 4.470 -0.003 0.000 0.223 417 S C 0.022 174.697 174.600 0.126 0.000 0.956 417 S CA -0.160 58.120 58.200 0.134 0.000 0.961 417 S CB -1.048 62.203 63.200 0.085 0.000 0.784 417 S HN 0.502 nan 8.310 nan 0.000 0.519 418 I N -0.070 120.605 120.570 0.175 0.000 2.603 418 I HA 0.517 4.685 4.170 -0.003 0.000 0.300 418 I C -0.811 175.372 176.117 0.109 0.000 1.017 418 I CA -1.013 60.346 61.300 0.100 0.000 1.098 418 I CB 1.725 39.751 38.000 0.043 0.000 1.279 418 I HN -0.131 nan 8.210 nan 0.000 0.437 419 K N 6.582 127.021 120.400 0.064 0.000 2.276 419 K HA 0.255 4.573 4.320 -0.003 0.000 0.283 419 K C 0.891 177.549 176.600 0.096 0.000 1.044 419 K CA -0.686 55.644 56.287 0.073 0.000 0.944 419 K CB 1.061 33.584 32.500 0.039 0.000 1.012 419 K HN 0.552 nan 8.250 nan 0.000 0.472 420 I N 3.308 123.957 120.570 0.132 0.000 2.181 420 I HA -0.351 3.817 4.170 -0.003 0.000 0.247 420 I C 1.996 178.207 176.117 0.155 0.000 1.081 420 I CA 1.939 63.337 61.300 0.163 0.000 1.340 420 I CB -0.926 37.157 38.000 0.139 0.000 1.036 420 I HN 0.683 nan 8.210 nan 0.000 0.417 421 K N -0.211 120.284 120.400 0.159 0.000 2.555 421 K HA -0.085 4.233 4.320 -0.003 0.000 0.193 421 K C 0.943 177.672 176.600 0.214 0.000 1.032 421 K CA 1.102 57.545 56.287 0.260 0.000 1.004 421 K CB -0.058 32.559 32.500 0.195 0.000 0.804 421 K HN 0.235 nan 8.250 nan 0.000 0.496 422 D N 0.703 121.165 120.400 0.103 0.000 2.417 422 D HA 0.118 4.756 4.640 -0.003 0.000 0.207 422 D C 0.060 176.365 176.300 0.009 0.000 1.075 422 D CA 0.012 54.031 54.000 0.032 0.000 0.851 422 D CB 0.335 41.125 40.800 -0.017 0.000 0.976 422 D HN 0.176 nan 8.370 nan 0.000 0.505 423 L N 3.949 125.182 121.223 0.017 0.000 2.477 423 L HA 0.158 4.496 4.340 -0.003 0.000 0.272 423 L C -1.849 175.010 176.870 -0.018 0.000 1.157 423 L CA -1.048 53.759 54.840 -0.055 0.000 0.889 423 L CB 0.300 42.314 42.059 -0.075 0.000 1.158 423 L HN -0.155 nan 8.230 nan 0.000 0.473 424 P HA 0.139 nan 4.420 nan 0.000 0.278 424 P C -1.049 176.268 177.300 0.029 0.000 1.258 424 P CA -0.832 62.226 63.100 -0.070 0.000 0.811 424 P CB 1.136 32.631 31.700 -0.342 0.000 1.063 425 K N 0.369 120.833 120.400 0.106 0.000 2.349 425 K HA 0.364 4.682 4.320 -0.003 0.000 0.288 425 K C 0.829 177.593 176.600 0.273 0.000 1.058 425 K CA 0.621 56.981 56.287 0.122 0.000 0.953 425 K CB -0.537 31.959 32.500 -0.006 0.000 0.997 425 K HN 0.823 nan 8.250 nan 0.000 0.477 426 G N 2.055 110.984 108.800 0.215 0.000 2.192 426 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.193 426 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.193 426 G C -0.046 174.868 174.900 0.023 0.000 0.999 426 G CA -0.142 44.967 45.100 0.015 0.000 0.659 426 G HN 0.843 nan 8.290 nan 0.000 0.503 427 A N 0.541 123.464 122.820 0.172 0.000 2.425 427 A HA 0.726 5.044 4.320 -0.003 0.000 0.249 427 A C 0.384 177.936 177.584 -0.053 0.000 1.084 427 A CA 0.191 52.313 52.037 0.143 0.000 0.781 427 A CB 0.351 19.362 19.000 0.019 0.000 1.019 427 A HN 0.801 nan 8.150 nan 0.000 0.490 428 L N 2.193 123.371 121.223 -0.076 0.000 2.317 428 L HA 0.357 4.695 4.340 -0.003 0.000 0.281 428 L C -0.383 176.401 176.870 -0.143 0.000 1.024 428 L CA -0.953 53.819 54.840 -0.113 0.000 0.810 428 L CB 1.652 43.660 42.059 -0.084 0.000 1.240 428 L HN 0.666 nan 8.230 nan 0.000 0.427 429 L N 4.324 125.454 121.223 -0.155 0.000 2.328 429 L HA 0.236 4.574 4.340 -0.003 0.000 0.280 429 L C 0.181 177.019 176.870 -0.053 0.000 1.111 429 L CA 0.234 54.977 54.840 -0.162 0.000 0.909 429 L CB -0.183 41.778 42.059 -0.163 0.000 1.277 429 L HN 0.544 nan 8.230 nan 0.000 0.433 430 N N 5.349 124.040 118.700 -0.015 0.000 2.420 430 N HA 0.141 4.879 4.740 -0.003 0.000 0.262 430 N C -1.207 174.359 175.510 0.092 0.000 1.144 430 N CA -0.283 52.800 53.050 0.054 0.000 0.952 430 N CB 0.549 39.071 38.487 0.059 0.000 1.081 430 N HN 0.626 nan 8.380 nan 0.000 0.480 431 L N 3.315 124.599 121.223 0.102 0.000 2.296 431 L HA 0.370 4.708 4.340 -0.003 0.000 0.286 431 L C 0.115 177.048 176.870 0.105 0.000 1.023 431 L CA -0.490 54.408 54.840 0.096 0.000 0.812 431 L CB 1.630 43.725 42.059 0.060 0.000 1.223 431 L HN 0.454 nan 8.230 nan 0.000 0.421 432 Q N 4.151 123.995 119.800 0.074 0.000 2.484 432 Q HA 0.690 5.028 4.340 -0.003 0.000 0.285 432 Q C -1.265 174.669 176.000 -0.110 0.000 1.097 432 Q CA -0.901 54.897 55.803 -0.009 0.000 0.802 432 Q CB 3.477 32.180 28.738 -0.058 0.000 1.444 432 Q HN 0.483 nan 8.270 nan 0.000 0.429 433 I N 1.458 121.871 120.570 -0.261 0.000 2.548 433 I HA 0.343 4.510 4.170 -0.003 0.000 0.287 433 I C -1.494 174.332 176.117 -0.485 0.000 1.103 433 I CA -0.633 60.490 61.300 -0.294 0.000 1.049 433 I CB 1.373 39.287 38.000 -0.142 0.000 1.232 433 I HN 0.526 nan 8.210 nan 0.000 0.429 434 Y N 4.629 124.557 120.300 -0.620 0.000 2.420 434 Y HA 0.542 5.090 4.550 -0.003 0.000 0.334 434 Y C 0.227 175.836 175.900 -0.485 0.000 1.094 434 Y CA -0.597 57.168 58.100 -0.557 0.000 1.126 434 Y CB 1.862 39.895 38.460 -0.712 0.000 1.217 434 Y HN 0.569 nan 8.280 nan 0.000 0.462 435 C N 2.736 121.971 119.300 -0.109 0.000 2.364 435 C HA 0.863 5.320 4.460 -0.003 0.000 0.324 435 C C 0.695 175.706 174.990 0.035 0.000 1.234 435 C CA -0.358 58.603 59.018 -0.096 0.000 1.417 435 C CB -0.632 27.012 27.740 -0.160 0.000 2.101 435 C HN 1.052 nan 8.230 nan 0.000 0.466 460 L N 4.067 125.273 121.223 -0.029 0.000 2.436 460 L HA 0.413 4.751 4.340 -0.003 0.000 0.265 460 L C -0.663 176.055 176.870 -0.253 0.000 1.168 460 L CA 0.625 55.221 54.840 -0.406 0.000 0.815 460 L CB 1.067 42.870 42.059 -0.427 0.000 1.109 460 L HN 0.975 nan 8.230 nan 0.000 0.462 461 L N 2.292 123.354 121.223 -0.269 0.000 2.718 461 L HA 0.286 4.624 4.340 -0.003 0.000 0.247 461 L C -0.964 175.673 176.870 -0.389 0.000 1.028 461 L CA -0.340 54.344 54.840 -0.260 0.000 1.031 461 L CB 0.645 42.634 42.059 -0.116 0.000 1.910 461 L HN 0.512 nan 8.230 nan 0.000 0.526 462 Y N -0.447 119.796 120.300 -0.095 0.000 2.442 462 Y HA 0.491 5.038 4.550 -0.004 0.000 0.344 462 Y C -0.852 175.065 175.900 0.029 0.000 0.976 462 Y CA -1.019 57.064 58.100 -0.029 0.000 1.040 462 Y CB 1.691 40.109 38.460 -0.070 0.000 1.228 462 Y HN 0.027 nan 8.280 nan 0.000 0.451 463 Y N -0.014 120.366 120.300 0.133 0.000 2.581 463 Y HA 0.915 5.463 4.550 -0.003 0.000 0.345 463 Y C -1.792 174.214 175.900 0.177 0.000 1.036 463 Y CA -1.474 56.686 58.100 0.101 0.000 1.042 463 Y CB 1.574 40.071 38.460 0.062 0.000 1.289 463 Y HN 0.525 nan 8.280 nan 0.000 0.471 464 V N 1.578 121.602 119.914 0.185 0.000 3.206 464 V HA 0.589 4.707 4.120 -0.003 0.000 0.305 464 V C -1.782 174.422 176.094 0.183 0.000 1.257 464 V CA -0.878 61.503 62.300 0.136 0.000 1.057 464 V CB 2.652 34.476 31.823 0.001 0.000 1.075 464 V HN 1.014 nan 8.190 nan 0.000 0.443 465 N N 1.806 120.600 118.700 0.157 0.000 2.329 465 N HA 0.691 5.429 4.740 -0.003 0.000 0.282 465 N C -1.957 173.571 175.510 0.030 0.000 1.198 465 N CA -0.361 52.746 53.050 0.095 0.000 0.790 465 N CB 2.575 41.129 38.487 0.111 0.000 1.579 465 N HN 0.570 nan 8.380 nan 0.000 0.475 466 L N 1.186 122.381 121.223 -0.046 0.000 2.470 466 L HA 0.498 4.836 4.340 -0.003 0.000 0.268 466 L C -1.407 175.393 176.870 -0.118 0.000 0.964 466 L CA -0.452 54.320 54.840 -0.114 0.000 0.839 466 L CB 1.526 43.412 42.059 -0.288 0.000 1.276 466 L HN 0.475 nan 8.230 nan 0.000 0.403 467 L N 5.582 126.755 121.223 -0.083 0.000 2.462 467 L HA 0.132 4.470 4.340 -0.003 0.000 0.272 467 L C 1.120 177.948 176.870 -0.070 0.000 1.166 467 L CA 0.252 55.036 54.840 -0.094 0.000 0.880 467 L CB 0.712 42.722 42.059 -0.081 0.000 1.142 467 L HN 0.775 nan 8.230 nan 0.000 0.473 468 L N 4.827 125.996 121.223 -0.091 0.000 2.240 468 L HA 0.067 4.405 4.340 -0.003 0.000 0.211 468 L C 0.447 177.317 176.870 0.000 0.000 1.106 468 L CA 0.755 55.550 54.840 -0.075 0.000 0.793 468 L CB -0.065 41.884 42.059 -0.183 0.000 0.927 468 L HN 0.492 nan 8.230 nan 0.000 0.446 469 I N 0.427 121.009 120.570 0.020 0.000 2.406 469 I HA 0.162 4.330 4.170 -0.003 0.000 0.290 469 I C -0.590 175.580 176.117 0.089 0.000 0.999 469 I CA -0.919 60.399 61.300 0.030 0.000 1.124 469 I CB 1.628 39.627 38.000 -0.002 0.000 1.289 469 I HN 0.038 nan 8.210 nan 0.000 0.441 470 D N 4.441 124.858 120.400 0.028 0.000 2.478 470 D HA 0.031 4.669 4.640 -0.003 0.000 0.274 470 D C 1.238 177.441 176.300 -0.161 0.000 1.234 470 D CA -0.064 53.974 54.000 0.063 0.000 1.069 470 D CB 0.300 41.073 40.800 -0.046 0.000 1.113 470 D HN 0.570 nan 8.370 nan 0.000 0.571 471 H N -1.046 117.890 119.070 -0.224 0.000 2.559 471 H HA 0.107 4.661 4.556 -0.003 0.000 0.273 471 H C 0.719 175.813 175.328 -0.390 0.000 1.000 471 H CA 0.517 56.275 56.048 -0.483 0.000 1.195 471 H CB -0.231 29.265 29.762 -0.444 0.000 1.368 471 H HN 0.330 nan 8.280 nan 0.000 0.592 472 R N -0.548 119.608 120.500 -0.573 0.000 2.362 472 R HA 0.097 4.435 4.340 -0.003 0.000 0.227 472 R C -0.287 176.122 176.300 0.181 0.000 0.905 472 R CA -0.135 55.838 56.100 -0.212 0.000 1.067 472 R CB 0.216 30.311 30.300 -0.342 0.000 1.078 472 R HN 0.129 nan 8.270 nan 0.000 0.516 473 F N -0.403 119.396 119.950 -0.252 0.000 2.681 473 F HA -0.215 4.310 4.527 -0.004 0.000 0.299 473 F C -0.007 175.708 175.800 -0.142 0.000 0.676 473 F CA 0.049 57.947 58.000 -0.171 0.000 1.496 473 F CB -1.873 37.027 39.000 -0.166 0.000 1.827 473 F HN -0.071 nan 8.300 nan 0.000 0.328 474 L N 0.819 122.037 121.223 -0.008 0.000 2.379 474 L HA 0.511 4.849 4.340 -0.003 0.000 0.269 474 L C 0.368 177.263 176.870 0.042 0.000 1.084 474 L CA -1.145 53.687 54.840 -0.013 0.000 0.802 474 L CB 0.920 42.931 42.059 -0.079 0.000 1.175 474 L HN 0.020 nan 8.230 nan 0.000 0.448 475 L N 2.700 123.983 121.223 0.100 0.000 2.278 475 L HA 0.280 4.618 4.340 -0.003 0.000 0.287 475 L C 0.444 177.446 176.870 0.221 0.000 1.072 475 L CA 0.063 54.994 54.840 0.153 0.000 0.819 475 L CB 0.515 42.689 42.059 0.191 0.000 1.176 475 L HN 0.461 nan 8.230 nan 0.000 0.435 476 R N 4.670 125.278 120.500 0.179 0.000 2.566 476 R HA 0.099 4.437 4.340 -0.003 0.000 0.273 476 R C -0.321 176.166 176.300 0.311 0.000 0.981 476 R CA 0.926 57.144 56.100 0.196 0.000 1.091 476 R CB 0.089 30.407 30.300 0.030 0.000 0.924 476 R HN 0.897 nan 8.270 nan 0.000 0.411 477 H N 1.337 120.567 119.070 0.266 0.000 2.947 477 H HA 0.642 5.196 4.556 -0.003 0.000 0.290 477 H C -0.040 175.500 175.328 0.355 0.000 1.430 477 H CA -0.415 55.801 56.048 0.279 0.000 1.189 477 H CB 0.883 30.784 29.762 0.233 0.000 1.875 477 H HN 0.839 nan 8.280 nan 0.000 0.568 478 G N 0.330 109.193 108.800 0.104 0.000 2.610 478 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.304 478 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.304 478 G C -1.008 173.915 174.900 0.038 0.000 1.309 478 G CA -0.275 44.794 45.100 -0.053 0.000 0.906 478 G HN 0.749 nan 8.290 nan 0.000 0.521 479 E N -0.710 119.400 120.200 -0.149 0.000 2.318 479 E HA 0.654 5.002 4.350 -0.003 0.000 0.265 479 E C -1.006 175.358 176.600 -0.393 0.000 1.069 479 E CA 0.018 56.342 56.400 -0.126 0.000 0.893 479 E CB 1.422 31.049 29.700 -0.122 0.000 1.076 479 E HN 0.441 nan 8.360 nan 0.000 0.414 480 Y N -0.996 119.266 120.300 -0.063 0.000 2.442 480 Y HA 0.208 4.756 4.550 -0.004 0.000 0.330 480 Y C -0.656 175.198 175.900 -0.077 0.000 1.100 480 Y CA -0.712 57.344 58.100 -0.074 0.000 1.034 480 Y CB 1.883 40.279 38.460 -0.107 0.000 1.285 480 Y HN 0.100 nan 8.280 nan 0.000 0.440 481 V N 5.658 125.589 119.914 0.029 0.000 2.320 481 V HA 0.366 4.484 4.120 -0.003 0.000 0.268 481 V C -0.678 175.371 176.094 -0.076 0.000 1.021 481 V CA -0.582 61.681 62.300 -0.062 0.000 0.813 481 V CB 0.511 32.275 31.823 -0.097 0.000 1.054 481 V HN 0.527 nan 8.190 nan 0.000 0.444 482 L N 4.097 125.280 121.223 -0.067 0.000 2.292 482 L HA 0.564 4.902 4.340 -0.003 0.000 0.284 482 L C 0.265 177.015 176.870 -0.201 0.000 1.065 482 L CA -0.475 54.341 54.840 -0.040 0.000 0.806 482 L CB 0.676 42.739 42.059 0.006 0.000 1.175 482 L HN 0.475 nan 8.230 nan 0.000 0.431 483 H N 4.309 123.297 119.070 -0.137 0.000 2.562 483 H HA 0.409 4.963 4.556 -0.003 0.000 0.314 483 H C -0.357 174.722 175.328 -0.414 0.000 1.079 483 H CA -0.305 55.603 56.048 -0.232 0.000 1.349 483 H CB 1.455 31.075 29.762 -0.237 0.000 1.432 483 H HN 0.497 nan 8.280 nan 0.000 0.479 484 M N 2.246 121.690 119.600 -0.259 0.000 2.359 484 M HA 0.199 4.677 4.480 -0.003 0.000 0.322 484 M C -0.516 175.514 176.300 -0.450 0.000 1.166 484 M CA -0.480 54.607 55.300 -0.354 0.000 1.067 484 M CB 1.344 33.885 32.600 -0.099 0.000 1.523 484 M HN 0.426 nan 8.290 nan 0.000 0.467 485 W N 0.890 121.977 121.300 -0.355 0.000 2.381 485 W HA 0.463 5.121 4.660 -0.004 0.000 0.329 485 W C 0.047 176.372 176.519 -0.323 0.000 1.157 485 W CA -0.400 56.704 57.345 -0.401 0.000 1.240 485 W CB 0.576 29.642 29.460 -0.656 0.000 1.199 485 W HN 0.486 nan 8.180 nan 0.000 0.579 486 Q N 2.862 122.696 119.800 0.055 0.000 2.235 486 Q HA 0.544 4.882 4.340 -0.003 0.000 0.256 486 Q C -1.340 174.650 176.000 -0.016 0.000 0.951 486 Q CA -0.791 54.899 55.803 -0.188 0.000 0.890 486 Q CB 1.671 30.236 28.738 -0.288 0.000 1.279 486 Q HN 0.670 nan 8.270 nan 0.000 0.444 487 L N 2.157 123.324 121.223 -0.093 0.000 2.325 487 L HA 0.404 4.742 4.340 -0.003 0.000 0.279 487 L C -0.034 176.806 176.870 -0.050 0.000 1.054 487 L CA -0.230 54.606 54.840 -0.007 0.000 0.804 487 L CB 1.833 43.864 42.059 -0.046 0.000 1.200 487 L HN 0.795 nan 8.230 nan 0.000 0.436 498 N N 0.487 119.244 118.700 0.095 0.000 2.774 498 N HA 0.577 5.315 4.740 -0.003 0.000 0.264 498 N C 0.383 175.902 175.510 0.014 0.000 1.415 498 N CA 0.001 53.071 53.050 0.034 0.000 0.815 498 N CB 0.905 39.391 38.487 -0.001 0.000 1.514 498 N HN -0.037 nan 8.380 nan 0.000 0.523 499 A N -0.026 122.803 122.820 0.014 0.000 1.917 499 A HA -0.201 4.117 4.320 -0.003 0.000 0.219 499 A C 1.214 178.812 177.584 0.022 0.000 1.182 499 A CA 2.058 54.089 52.037 -0.011 0.000 0.633 499 A CB -1.054 17.825 19.000 -0.202 0.000 0.819 499 A HN 0.767 nan 8.150 nan 0.000 0.448 500 D N -0.304 120.056 120.400 -0.068 0.000 2.182 500 D HA -0.124 4.514 4.640 -0.003 0.000 0.201 500 D C 1.638 177.888 176.300 -0.084 0.000 0.986 500 D CA 1.217 55.097 54.000 -0.200 0.000 0.847 500 D CB -0.315 40.010 40.800 -0.792 0.000 0.942 500 D HN 0.492 nan 8.370 nan 0.000 0.467 501 K N -0.018 120.292 120.400 -0.150 0.000 2.519 501 K HA 0.012 4.330 4.320 -0.003 0.000 0.196 501 K C 1.579 178.157 176.600 -0.038 0.000 1.041 501 K CA 0.227 56.331 56.287 -0.305 0.000 0.954 501 K CB 0.113 32.329 32.500 -0.473 0.000 0.774 501 K HN 0.194 nan 8.250 nan 0.000 0.480 502 L N -0.342 120.913 121.223 0.053 0.000 2.616 502 L HA 0.034 4.372 4.340 -0.003 0.000 0.229 502 L C 1.057 177.987 176.870 0.099 0.000 1.110 502 L CA -0.152 54.736 54.840 0.080 0.000 0.884 502 L CB 0.342 42.456 42.059 0.092 0.000 1.115 502 L HN -0.008 nan 8.230 nan 0.000 0.481 503 T N -0.285 114.320 114.554 0.084 0.000 2.937 503 T HA -0.051 4.297 4.350 -0.003 0.000 0.316 503 T C 1.265 175.980 174.700 0.025 0.000 1.079 503 T CA 0.489 62.549 62.100 -0.067 0.000 1.131 503 T CB 0.755 69.348 68.868 -0.460 0.000 1.000 503 T HN 0.368 nan 8.240 nan 0.000 0.549 504 S N 2.611 118.306 115.700 -0.009 0.000 2.577 504 S HA 0.453 4.920 4.470 -0.003 0.000 0.219 504 S C 0.693 175.359 174.600 0.109 0.000 0.962 504 S CA -0.236 57.989 58.200 0.041 0.000 0.921 504 S CB 0.139 63.312 63.200 -0.046 0.000 0.789 504 S HN 0.873 nan 8.310 nan 0.000 0.497 505 A N 2.357 125.239 122.820 0.102 0.000 2.340 505 A HA 0.602 4.920 4.320 -0.003 0.000 0.268 505 A C 0.652 178.411 177.584 0.292 0.000 1.100 505 A CA -0.307 51.824 52.037 0.157 0.000 0.803 505 A CB 0.221 19.273 19.000 0.086 0.000 1.043 505 A HN 0.548 nan 8.150 nan 0.000 0.488 506 T N 0.104 114.716 114.554 0.097 0.000 2.928 506 T HA 0.367 4.715 4.350 -0.003 0.000 0.284 506 T C 0.124 174.516 174.700 -0.513 0.000 1.008 506 T CA -0.927 61.081 62.100 -0.154 0.000 1.057 506 T CB 0.745 69.584 68.868 -0.048 0.000 1.018 506 T HN 0.577 nan 8.240 nan 0.000 0.493 507 N N 3.081 121.087 118.700 -1.158 0.000 2.438 507 N HA 0.108 4.846 4.740 -0.003 0.000 0.267 507 N C -1.053 174.140 175.510 -0.529 0.000 1.222 507 N CA -2.086 50.151 53.050 -1.355 0.000 0.930 507 N CB 0.942 38.624 38.487 -1.340 0.000 1.083 507 N HN 0.430 nan 8.380 nan 0.000 0.476 508 P HA -0.108 nan 4.420 nan 0.000 0.219 508 P C -0.032 177.147 177.300 -0.202 0.000 1.150 508 P CA 0.729 63.725 63.100 -0.174 0.000 0.814 508 P CB 0.139 31.818 31.700 -0.035 0.000 0.787 509 D N 0.874 121.163 120.400 -0.185 0.000 2.482 509 D HA -0.007 4.631 4.640 -0.003 0.000 0.244 509 D C 1.188 177.348 176.300 -0.233 0.000 1.242 509 D CA 0.170 54.079 54.000 -0.152 0.000 1.097 509 D CB 0.015 40.765 40.800 -0.084 0.000 1.109 509 D HN 0.024 nan 8.370 nan 0.000 0.510 510 K N 1.757 121.965 120.400 -0.320 0.000 2.211 510 K HA -0.097 4.221 4.320 -0.003 0.000 0.203 510 K C 1.357 177.844 176.600 -0.189 0.000 1.050 510 K CA 0.759 56.751 56.287 -0.491 0.000 0.945 510 K CB 0.311 32.492 32.500 -0.532 0.000 0.732 510 K HN 0.484 nan 8.250 nan 0.000 0.451 511 E N 0.534 120.667 120.200 -0.112 0.000 2.274 511 E HA -0.053 4.295 4.350 -0.003 0.000 0.194 511 E C 1.012 177.599 176.600 -0.020 0.000 0.996 511 E CA 0.633 57.005 56.400 -0.047 0.000 0.840 511 E CB 0.179 29.855 29.700 -0.040 0.000 0.772 511 E HN 0.321 nan 8.360 nan 0.000 0.491 512 N N 0.048 118.735 118.700 -0.022 0.000 2.159 512 N HA 0.003 4.740 4.740 -0.003 0.000 0.217 512 N C -0.228 175.303 175.510 0.034 0.000 1.223 512 N CA 0.122 53.177 53.050 0.010 0.000 0.896 512 N CB 1.189 39.684 38.487 0.013 0.000 1.064 512 N HN -0.065 nan 8.380 nan 0.000 0.518 513 S N 1.077 116.790 115.700 0.021 0.000 2.457 513 S HA 0.404 4.872 4.470 -0.003 0.000 0.289 513 S C 0.259 174.912 174.600 0.088 0.000 1.163 513 S CA -0.763 57.466 58.200 0.050 0.000 1.078 513 S CB 1.505 64.679 63.200 -0.043 0.000 0.987 513 S HN 0.183 nan 8.310 nan 0.000 0.482 514 M N 4.051 123.681 119.600 0.049 0.000 2.235 514 M HA 0.210 4.688 4.480 -0.003 0.000 0.336 514 M C 0.044 176.283 176.300 -0.101 0.000 1.146 514 M CA 0.985 56.229 55.300 -0.093 0.000 1.018 514 M CB 0.163 32.523 32.600 -0.401 0.000 1.694 514 M HN 0.779 nan 8.290 nan 0.000 0.451 515 S N 3.981 119.581 115.700 -0.166 0.000 2.638 515 S HA 0.859 5.327 4.470 -0.003 0.000 0.302 515 S C -1.249 173.233 174.600 -0.197 0.000 1.096 515 S CA -0.994 57.020 58.200 -0.310 0.000 0.953 515 S CB 1.112 63.983 63.200 -0.547 0.000 1.107 515 S HN 0.805 nan 8.310 nan 0.000 0.503 516 I N 1.725 122.185 120.570 -0.184 0.000 2.569 516 I HA 0.557 4.724 4.170 -0.003 0.000 0.290 516 I C -1.170 174.903 176.117 -0.072 0.000 1.088 516 I CA 0.032 61.280 61.300 -0.088 0.000 1.047 516 I CB 2.173 40.140 38.000 -0.055 0.000 1.237 516 I HN 0.527 nan 8.210 nan 0.000 0.421 517 S N 8.201 123.880 115.700 -0.035 0.000 2.456 517 S HA 0.733 5.201 4.470 -0.003 0.000 0.316 517 S C -0.499 174.095 174.600 -0.011 0.000 1.089 517 S CA -0.551 57.633 58.200 -0.026 0.000 1.101 517 S CB 0.864 64.044 63.200 -0.033 0.000 0.995 517 S HN 0.588 nan 8.310 nan 0.000 0.468 518 I N 0.502 121.076 120.570 0.007 0.000 3.074 518 I HA 0.824 4.992 4.170 -0.003 0.000 0.310 518 I C -1.794 174.326 176.117 0.006 0.000 1.153 518 I CA -1.482 59.815 61.300 -0.005 0.000 0.993 518 I CB 1.948 39.962 38.000 0.022 0.000 1.237 518 I HN 0.506 nan 8.210 nan 0.000 0.443 519 L N 4.099 125.281 121.223 -0.068 0.000 2.406 519 L HA 0.634 4.972 4.340 -0.003 0.000 0.272 519 L C -1.840 175.027 176.870 -0.005 0.000 0.980 519 L CA -0.360 54.445 54.840 -0.057 0.000 0.831 519 L CB 1.640 43.584 42.059 -0.191 0.000 1.253 519 L HN 0.658 nan 8.230 nan 0.000 0.406 520 L N 4.519 125.824 121.223 0.137 0.000 2.309 520 L HA 0.380 4.717 4.340 -0.003 0.000 0.282 520 L C 0.066 177.080 176.870 0.240 0.000 1.036 520 L CA -0.019 54.932 54.840 0.184 0.000 0.806 520 L CB 1.277 43.472 42.059 0.226 0.000 1.220 520 L HN 0.722 nan 8.230 nan 0.000 0.429 521 D N 4.373 124.906 120.400 0.223 0.000 2.661 521 D HA -0.187 4.451 4.640 -0.003 0.000 0.244 521 D C -0.031 176.409 176.300 0.233 0.000 1.196 521 D CA 0.259 54.384 54.000 0.208 0.000 0.881 521 D CB 0.341 41.154 40.800 0.021 0.000 1.141 521 D HN 0.658 nan 8.370 nan 0.000 0.530 522 N N 3.955 122.802 118.700 0.245 0.000 2.431 522 N HA 0.035 4.773 4.740 -0.003 0.000 0.265 522 N C -1.390 174.256 175.510 0.226 0.000 1.184 522 N CA -0.203 52.989 53.050 0.237 0.000 0.943 522 N CB 0.341 38.947 38.487 0.197 0.000 1.080 522 N HN 0.395 nan 8.380 nan 0.000 0.477 523 Y N 3.035 123.308 120.300 -0.045 0.000 2.677 523 Y HA 0.296 4.844 4.550 -0.003 0.000 0.334 523 Y C 0.703 176.495 175.900 -0.180 0.000 1.154 523 Y CA -1.083 56.973 58.100 -0.073 0.000 1.070 523 Y CB 0.556 39.002 38.460 -0.023 0.000 1.294 523 Y HN 0.570 nan 8.280 nan 0.000 0.475 524 C N 0.614 119.439 119.300 -0.793 0.000 4.604 524 C HA -0.090 4.368 4.460 -0.003 0.000 0.295 524 C C 0.008 174.702 174.990 -0.493 0.000 1.214 524 C CA 1.116 59.740 59.018 -0.656 0.000 1.858 524 C CB -0.934 26.388 27.740 -0.697 0.000 2.000 524 C HN 0.731 nan 8.230 nan 0.000 0.404 525 H N -0.837 118.101 119.070 -0.220 0.000 2.826 525 H HA 0.281 4.835 4.556 -0.003 0.000 0.255 525 H C -2.905 172.427 175.328 0.008 0.000 1.427 525 H CA -1.712 54.286 56.048 -0.083 0.000 1.521 525 H CB 0.056 29.768 29.762 -0.082 0.000 1.934 525 H HN 0.281 nan 8.280 nan 0.000 0.644 526 P HA 0.219 nan 4.420 nan 0.000 0.276 526 P C -0.021 177.337 177.300 0.097 0.000 1.264 526 P CA 0.116 63.330 63.100 0.190 0.000 0.769 526 P CB 0.730 32.576 31.700 0.244 0.000 0.840 527 I N 1.830 122.421 120.570 0.036 0.000 2.603 527 I HA 0.632 4.800 4.170 -0.003 0.000 0.300 527 I C 0.288 176.344 176.117 -0.101 0.000 1.017 527 I CA -1.290 59.998 61.300 -0.020 0.000 1.098 527 I CB 2.113 40.083 38.000 -0.050 0.000 1.279 527 I HN 0.196 nan 8.210 nan 0.000 0.437 528 A N 6.314 129.080 122.820 -0.090 0.000 2.327 528 A HA 0.740 5.058 4.320 -0.003 0.000 0.283 528 A C -0.432 176.967 177.584 -0.308 0.000 1.127 528 A CA -0.446 51.435 52.037 -0.260 0.000 0.810 528 A CB 0.324 19.294 19.000 -0.049 0.000 1.066 528 A HN 0.686 nan 8.150 nan 0.000 0.492 529 L N 2.704 123.492 121.223 -0.725 0.000 2.265 529 L HA 0.373 4.711 4.340 -0.003 0.000 0.289 529 L C -2.379 174.262 176.870 -0.382 0.000 1.033 529 L CA -1.875 52.625 54.840 -0.566 0.000 0.814 529 L CB 1.045 42.729 42.059 -0.626 0.000 1.203 529 L HN 0.421 nan 8.230 nan 0.000 0.423 530 P HA 0.064 nan 4.420 nan 0.000 0.267 530 P C -0.548 176.751 177.300 -0.000 0.000 1.209 530 P CA -0.166 62.898 63.100 -0.059 0.000 0.763 530 P CB 0.357 31.961 31.700 -0.160 0.000 0.816 531 K N 3.571 124.023 120.400 0.088 0.000 2.380 531 K HA 0.088 4.406 4.320 -0.003 0.000 0.267 531 K C 0.895 177.470 176.600 -0.042 0.000 0.990 531 K CA -0.071 56.202 56.287 -0.024 0.000 0.946 531 K CB 0.208 32.786 32.500 0.130 0.000 0.937 531 K HN 0.619 nan 8.250 nan 0.000 0.491 547 M N 0.864 120.367 119.600 -0.161 0.000 2.732 547 M HA 0.522 5.000 4.480 -0.003 0.000 0.272 547 M C -2.838 173.384 176.300 -0.130 0.000 1.203 547 M CA -2.020 53.164 55.300 -0.194 0.000 0.841 547 M CB 1.291 33.601 32.600 -0.483 0.000 1.685 547 M HN 0.035 nan 8.290 nan 0.000 0.492 548 P HA 0.164 nan 4.420 nan 0.000 0.261 548 P C -0.068 177.200 177.300 -0.053 0.000 1.203 548 P CA 0.175 63.253 63.100 -0.037 0.000 0.767 548 P CB 0.257 31.963 31.700 0.010 0.000 0.785 549 N N 2.643 121.316 118.700 -0.045 0.000 2.058 549 N HA -0.301 4.437 4.740 -0.003 0.000 0.200 549 N C 1.537 177.029 175.510 -0.029 0.000 1.033 549 N CA 1.383 54.407 53.050 -0.042 0.000 0.880 549 N CB -0.303 38.167 38.487 -0.028 0.000 1.069 549 N HN 0.499 nan 8.380 nan 0.000 0.461 550 Q N 0.841 120.634 119.800 -0.012 0.000 2.268 550 Q HA -0.120 4.218 4.340 -0.003 0.000 0.210 550 Q C 1.913 177.919 176.000 0.010 0.000 0.988 550 Q CA 1.264 57.068 55.803 0.001 0.000 0.883 550 Q CB -0.316 28.427 28.738 0.009 0.000 0.911 550 Q HN 0.308 nan 8.270 nan 0.000 0.430 551 L N -0.435 120.793 121.223 0.009 0.000 2.084 551 L HA -0.009 4.329 4.340 -0.003 0.000 0.202 551 L C 2.449 179.315 176.870 -0.006 0.000 1.074 551 L CA 1.636 56.499 54.840 0.038 0.000 0.757 551 L CB -0.773 41.338 42.059 0.088 0.000 0.918 551 L HN 0.164 nan 8.230 nan 0.000 0.444 552 R N -0.151 120.296 120.500 -0.088 0.000 2.154 552 R HA -0.193 4.145 4.340 -0.003 0.000 0.248 552 R C 1.955 178.227 176.300 -0.047 0.000 1.155 552 R CA 1.436 57.468 56.100 -0.113 0.000 0.979 552 R CB -0.098 30.125 30.300 -0.129 0.000 0.869 552 R HN 0.158 nan 8.270 nan 0.000 0.452 553 K N -0.185 120.200 120.400 -0.025 0.000 2.103 553 K HA -0.101 4.217 4.320 -0.003 0.000 0.204 553 K C 1.971 178.575 176.600 0.007 0.000 1.052 553 K CA 1.143 57.425 56.287 -0.009 0.000 0.945 553 K CB -0.055 32.441 32.500 -0.006 0.000 0.722 553 K HN 0.233 nan 8.250 nan 0.000 0.443 554 Q N 0.800 120.612 119.800 0.021 0.000 2.389 554 Q HA 0.028 4.366 4.340 -0.003 0.000 0.204 554 Q C 1.791 177.819 176.000 0.046 0.000 0.944 554 Q CA 0.337 56.161 55.803 0.035 0.000 0.908 554 Q CB -0.015 28.750 28.738 0.046 0.000 1.002 554 Q HN 0.149 nan 8.270 nan 0.000 0.493 555 L N 0.312 121.565 121.223 0.050 0.000 2.072 555 L HA -0.083 4.255 4.340 -0.003 0.000 0.205 555 L C 1.458 178.351 176.870 0.039 0.000 1.079 555 L CA 1.833 56.712 54.840 0.064 0.000 0.752 555 L CB -0.154 41.940 42.059 0.060 0.000 0.906 555 L HN 0.169 nan 8.230 nan 0.000 0.436 556 E N -0.423 119.788 120.200 0.020 0.000 2.274 556 E HA -0.102 4.246 4.350 -0.003 0.000 0.194 556 E C 2.119 178.731 176.600 0.019 0.000 0.996 556 E CA 0.761 57.170 56.400 0.015 0.000 0.840 556 E CB -0.241 29.461 29.700 0.003 0.000 0.772 556 E HN 0.636 nan 8.360 nan 0.000 0.491 557 A N 0.828 123.661 122.820 0.020 0.000 1.969 557 A HA -0.116 4.202 4.320 -0.003 0.000 0.218 557 A C 2.065 179.664 177.584 0.025 0.000 1.169 557 A CA 0.909 52.957 52.037 0.019 0.000 0.635 557 A CB -0.271 18.741 19.000 0.019 0.000 0.810 557 A HN 0.126 nan 8.150 nan 0.000 0.445 558 I N -0.670 119.919 120.570 0.033 0.000 2.296 558 I HA -0.090 4.077 4.170 -0.003 0.000 0.242 558 I C 2.010 178.152 176.117 0.041 0.000 1.087 558 I CA 0.812 62.135 61.300 0.038 0.000 1.393 558 I CB -0.205 37.822 38.000 0.046 0.000 1.093 558 I HN 0.195 nan 8.210 nan 0.000 0.421 559 I N 1.120 121.716 120.570 0.043 0.000 2.657 559 I HA -0.234 3.934 4.170 -0.003 0.000 0.261 559 I C 2.013 178.156 176.117 0.044 0.000 1.212 559 I CA 0.917 62.247 61.300 0.050 0.000 1.453 559 I CB -0.340 37.689 38.000 0.049 0.000 1.092 559 I HN 0.190 nan 8.210 nan 0.000 0.452 560 A N 0.173 123.012 122.820 0.032 0.000 2.415 560 A HA 0.179 4.497 4.320 -0.003 0.000 0.248 560 A C 0.654 178.250 177.584 0.020 0.000 1.299 560 A CA -0.047 52.003 52.037 0.022 0.000 0.899 560 A CB -0.504 18.504 19.000 0.014 0.000 0.997 560 A HN 0.244 nan 8.150 nan 0.000 0.506 561 T N 2.143 116.713 114.554 0.027 0.000 2.795 561 T HA 0.357 4.705 4.350 -0.003 0.000 0.282 561 T C -0.051 174.665 174.700 0.027 0.000 0.980 561 T CA -0.722 61.392 62.100 0.023 0.000 1.012 561 T CB 1.172 70.055 68.868 0.026 0.000 0.936 561 T HN 0.560 nan 8.240 nan 0.000 0.457 562 D N 3.113 123.523 120.400 0.017 0.000 2.351 562 D HA -0.079 4.559 4.640 -0.003 0.000 0.232 562 D C -1.870 174.449 176.300 0.032 0.000 1.275 562 D CA -0.885 53.127 54.000 0.019 0.000 0.882 562 D CB 0.243 41.047 40.800 0.007 0.000 1.221 562 D HN 0.156 nan 8.370 nan 0.000 0.485 563 P HA -0.056 nan 4.420 nan 0.000 0.217 563 P C 1.447 178.772 177.300 0.041 0.000 1.150 563 P CA 0.969 64.100 63.100 0.051 0.000 0.832 563 P CB 0.058 31.789 31.700 0.052 0.000 0.787 564 L N -1.892 119.349 121.223 0.031 0.000 2.552 564 L HA 0.007 4.345 4.340 -0.003 0.000 0.227 564 L C 1.002 177.881 176.870 0.016 0.000 1.146 564 L CA -0.049 54.805 54.840 0.023 0.000 0.858 564 L CB -0.987 41.086 42.059 0.024 0.000 0.969 564 L HN -0.008 nan 8.230 nan 0.000 0.451 565 N N 1.214 119.925 118.700 0.019 0.000 2.520 565 N HA 0.153 4.891 4.740 -0.003 0.000 0.273 565 N C -1.972 173.549 175.510 0.018 0.000 1.155 565 N CA -1.248 51.812 53.050 0.016 0.000 0.967 565 N CB 0.745 39.243 38.487 0.018 0.000 1.092 565 N HN -0.110 nan 8.380 nan 0.000 0.457 566 P HA 0.179 nan 4.420 nan 0.000 0.286 566 P C -1.024 176.286 177.300 0.017 0.000 1.293 566 P CA -0.193 62.912 63.100 0.010 0.000 0.770 566 P CB 0.856 32.559 31.700 0.004 0.000 1.206 567 L N -0.151 121.080 121.223 0.014 0.000 2.482 567 L HA 0.268 4.606 4.340 -0.003 0.000 0.269 567 L C 0.736 177.612 176.870 0.010 0.000 0.967 567 L CA -0.687 54.164 54.840 0.019 0.000 0.851 567 L CB 1.983 44.059 42.059 0.028 0.000 1.242 567 L HN 0.468 nan 8.230 nan 0.000 0.404 568 T N -0.838 113.722 114.554 0.010 0.000 2.766 568 T HA 0.341 4.689 4.350 -0.003 0.000 0.295 568 T C 1.369 176.068 174.700 -0.001 0.000 1.024 568 T CA 0.128 62.230 62.100 0.003 0.000 1.018 568 T CB 1.625 70.496 68.868 0.004 0.000 1.002 568 T HN 0.606 nan 8.240 nan 0.000 0.532 569 A N 0.111 122.926 122.820 -0.008 0.000 1.940 569 A HA -0.115 4.203 4.320 -0.003 0.000 0.219 569 A C 2.310 179.885 177.584 -0.015 0.000 1.176 569 A CA 2.077 54.103 52.037 -0.017 0.000 0.631 569 A CB -1.179 17.808 19.000 -0.022 0.000 0.814 569 A HN 1.060 nan 8.150 nan 0.000 0.446 570 E N -0.180 120.015 120.200 -0.008 0.000 2.072 570 E HA -0.210 4.138 4.350 -0.003 0.000 0.191 570 E C 1.376 177.981 176.600 0.008 0.000 0.985 570 E CA 1.300 57.697 56.400 -0.005 0.000 0.801 570 E CB -0.181 29.518 29.700 -0.001 0.000 0.750 570 E HN 0.486 nan 8.360 nan 0.000 0.452 571 D N 0.646 121.056 120.400 0.016 0.000 2.133 571 D HA -0.179 4.458 4.640 -0.003 0.000 0.195 571 D C 1.807 178.127 176.300 0.034 0.000 0.997 571 D CA 1.337 55.354 54.000 0.029 0.000 0.840 571 D CB -0.065 40.752 40.800 0.028 0.000 0.947 571 D HN 0.256 nan 8.370 nan 0.000 0.452 572 K N 0.553 120.965 120.400 0.021 0.000 2.001 572 K HA -0.086 4.232 4.320 -0.003 0.000 0.208 572 K C 2.181 178.805 176.600 0.040 0.000 1.048 572 K CA 0.881 57.182 56.287 0.023 0.000 0.932 572 K CB -0.113 32.383 32.500 -0.007 0.000 0.715 572 K HN 0.159 nan 8.250 nan 0.000 0.437 573 E N 0.969 121.178 120.200 0.014 0.000 2.171 573 E HA -0.215 4.133 4.350 -0.003 0.000 0.197 573 E C 2.061 178.677 176.600 0.027 0.000 0.997 573 E CA 0.869 57.282 56.400 0.023 0.000 0.810 573 E CB -0.081 29.600 29.700 -0.030 0.000 0.738 573 E HN 0.195 nan 8.360 nan 0.000 0.467 574 L N 0.368 121.598 121.223 0.011 0.000 2.027 574 L HA -0.182 4.156 4.340 -0.003 0.000 0.206 574 L C 2.231 179.127 176.870 0.043 0.000 1.074 574 L CA 0.668 55.509 54.840 0.003 0.000 0.745 574 L CB -0.097 42.005 42.059 0.071 0.000 0.898 574 L HN 0.167 nan 8.230 nan 0.000 0.433 575 L N -0.748 120.523 121.223 0.081 0.000 2.042 575 L HA -0.296 4.042 4.340 -0.003 0.000 0.210 575 L C 2.101 179.007 176.870 0.059 0.000 1.076 575 L CA 1.895 56.782 54.840 0.078 0.000 0.749 575 L CB -1.164 40.932 42.059 0.062 0.000 0.893 575 L HN 0.528 nan 8.230 nan 0.000 0.432 576 W N -0.669 120.563 121.300 -0.113 0.000 2.408 576 W HA -0.267 4.391 4.660 -0.004 0.000 0.311 576 W C 2.649 179.086 176.519 -0.136 0.000 1.190 576 W CA 1.493 58.751 57.345 -0.144 0.000 1.321 576 W CB -0.447 28.929 29.460 -0.139 0.000 1.143 576 W HN 0.347 nan 8.180 nan 0.000 0.501 577 H N -0.383 118.527 119.070 -0.267 0.000 2.394 577 H HA -0.217 4.336 4.556 -0.003 0.000 0.297 577 H C 0.831 175.857 175.328 -0.503 0.000 1.113 577 H CA 2.107 57.854 56.048 -0.501 0.000 1.277 577 H CB -0.957 28.382 29.762 -0.705 0.000 1.370 577 H HN 0.077 nan 8.280 nan 0.000 0.506 578 F N 0.039 119.865 119.950 -0.207 0.000 2.986 578 F HA 0.222 4.747 4.527 -0.004 0.000 0.297 578 F C 1.514 177.155 175.800 -0.265 0.000 1.210 578 F CA -0.679 57.190 58.000 -0.218 0.000 1.346 578 F CB 0.254 39.194 39.000 -0.100 0.000 1.007 578 F HN -0.032 nan 8.300 nan 0.000 0.512 579 R N -0.179 120.138 120.500 -0.305 0.000 2.132 579 R HA -0.246 4.092 4.340 -0.003 0.000 0.233 579 R C 1.356 177.444 176.300 -0.353 0.000 1.125 579 R CA 2.217 58.024 56.100 -0.488 0.000 0.914 579 R CB -0.785 29.009 30.300 -0.844 0.000 0.845 579 R HN 0.351 nan 8.270 nan 0.000 0.431 580 Y N 0.455 120.618 120.300 -0.228 0.000 2.465 580 Y HA -0.209 4.339 4.550 -0.003 0.000 0.289 580 Y C 2.272 178.115 175.900 -0.094 0.000 1.150 580 Y CA 1.082 59.096 58.100 -0.142 0.000 1.293 580 Y CB -0.083 38.304 38.460 -0.122 0.000 0.977 580 Y HN 0.173 nan 8.280 nan 0.000 0.556 581 E N -0.574 119.645 120.200 0.032 0.000 2.045 581 E HA -0.071 4.277 4.350 -0.003 0.000 0.190 581 E C 2.345 178.930 176.600 -0.025 0.000 0.968 581 E CA 1.209 57.606 56.400 -0.006 0.000 0.813 581 E CB -0.351 29.314 29.700 -0.059 0.000 0.780 581 E HN 0.091 nan 8.360 nan 0.000 0.455 582 S N 0.684 116.354 115.700 -0.050 0.000 2.402 582 S HA -0.187 4.280 4.470 -0.003 0.000 0.233 582 S C 1.779 176.310 174.600 -0.114 0.000 1.030 582 S CA 0.954 59.108 58.200 -0.076 0.000 1.003 582 S CB -0.326 62.794 63.200 -0.134 0.000 0.813 582 S HN 0.203 nan 8.310 nan 0.000 0.477 583 L N 1.259 122.380 121.223 -0.170 0.000 2.362 583 L HA 0.022 4.360 4.340 -0.003 0.000 0.219 583 L C 1.782 178.730 176.870 0.129 0.000 1.134 583 L CA 1.454 56.196 54.840 -0.163 0.000 0.807 583 L CB -0.207 41.718 42.059 -0.223 0.000 0.927 583 L HN 0.111 nan 8.230 nan 0.000 0.447 584 K N -1.101 119.367 120.400 0.113 0.000 2.365 584 K HA -0.006 4.312 4.320 -0.003 0.000 0.197 584 K C -0.000 176.709 176.600 0.182 0.000 1.042 584 K CA 0.218 56.593 56.287 0.147 0.000 0.987 584 K CB 0.107 32.655 32.500 0.081 0.000 0.779 584 K HN 0.191 nan 8.250 nan 0.000 0.484 585 D N 0.368 120.897 120.400 0.214 0.000 2.392 585 D HA 0.143 4.781 4.640 -0.003 0.000 0.228 585 D C -2.134 174.411 176.300 0.408 0.000 1.074 585 D CA -2.635 51.493 54.000 0.214 0.000 0.838 585 D CB 1.839 42.716 40.800 0.128 0.000 1.067 585 D HN -0.248 nan 8.370 nan 0.000 0.511 586 P HA -0.117 nan 4.420 nan 0.000 0.215 586 P C 0.631 178.151 177.300 0.368 0.000 1.153 586 P CA 1.203 64.434 63.100 0.218 0.000 0.853 586 P CB 0.245 31.880 31.700 -0.109 0.000 0.788 587 K N -0.899 119.632 120.400 0.217 0.000 2.633 587 K HA 0.027 4.345 4.320 -0.003 0.000 0.193 587 K C 1.501 178.238 176.600 0.228 0.000 1.033 587 K CA 0.661 57.059 56.287 0.184 0.000 0.980 587 K CB -0.274 32.280 32.500 0.090 0.000 0.800 587 K HN 0.116 nan 8.250 nan 0.000 0.493 588 A N -0.621 122.398 122.820 0.332 0.000 2.229 588 A HA 0.061 4.379 4.320 -0.003 0.000 0.211 588 A C 1.155 178.848 177.584 0.183 0.000 1.193 588 A CA -0.096 52.061 52.037 0.200 0.000 0.879 588 A CB -0.082 18.978 19.000 0.100 0.000 0.911 588 A HN 0.166 nan 8.150 nan 0.000 0.492 589 Y N 0.994 121.364 120.300 0.117 0.000 2.102 589 Y HA -0.165 4.383 4.550 -0.003 0.000 0.280 589 Y C -0.332 175.701 175.900 0.223 0.000 1.178 589 Y CA 2.529 60.727 58.100 0.163 0.000 1.146 589 Y CB -1.796 36.726 38.460 0.103 0.000 0.968 589 Y HN 0.291 nan 8.280 nan 0.000 0.504 590 P HA -0.152 nan 4.420 nan 0.000 0.216 590 P C 1.501 179.021 177.300 0.367 0.000 1.153 590 P CA 1.861 65.105 63.100 0.240 0.000 0.848 590 P CB 0.069 31.886 31.700 0.195 0.000 0.787 591 K N -0.830 119.707 120.400 0.228 0.000 2.103 591 K HA -0.062 4.256 4.320 -0.003 0.000 0.204 591 K C 1.985 178.657 176.600 0.120 0.000 1.052 591 K CA 0.892 57.281 56.287 0.169 0.000 0.945 591 K CB -1.254 31.311 32.500 0.108 0.000 0.722 591 K HN 0.129 nan 8.250 nan 0.000 0.443 592 L N 0.433 121.660 121.223 0.006 0.000 2.027 592 L HA -0.051 4.287 4.340 -0.003 0.000 0.206 592 L C 1.865 178.639 176.870 -0.160 0.000 1.074 592 L CA 1.628 56.356 54.840 -0.187 0.000 0.745 592 L CB -0.668 41.072 42.059 -0.532 0.000 0.898 592 L HN -0.011 nan 8.230 nan 0.000 0.433 593 F N -0.712 119.360 119.950 0.203 0.000 2.748 593 F HA 0.003 4.528 4.527 -0.003 0.000 0.299 593 F C 2.105 178.237 175.800 0.553 0.000 1.154 593 F CA 0.729 58.965 58.000 0.393 0.000 1.446 593 F CB -0.328 38.932 39.000 0.434 0.000 1.112 593 F HN 0.074 nan 8.300 nan 0.000 0.584 594 S N -1.590 114.420 115.700 0.515 0.000 2.548 594 S HA -0.016 4.452 4.470 -0.003 0.000 0.215 594 S C 1.669 176.362 174.600 0.155 0.000 0.976 594 S CA 0.317 58.712 58.200 0.325 0.000 0.908 594 S CB 0.036 63.358 63.200 0.204 0.000 0.781 594 S HN 0.154 nan 8.310 nan 0.000 0.519 595 S N 1.165 116.921 115.700 0.093 0.000 2.575 595 S HA 0.216 4.684 4.470 -0.003 0.000 0.215 595 S C 0.556 175.040 174.600 -0.194 0.000 0.966 595 S CA -0.166 58.027 58.200 -0.011 0.000 0.911 595 S CB 0.142 63.366 63.200 0.040 0.000 0.780 595 S HN 0.202 nan 8.310 nan 0.000 0.514 596 V N 2.425 122.193 119.914 -0.243 0.000 2.775 596 V HA 0.160 4.278 4.120 -0.003 0.000 0.299 596 V C 0.356 176.026 176.094 -0.706 0.000 1.062 596 V CA -0.055 61.808 62.300 -0.728 0.000 1.063 596 V CB 1.116 32.292 31.823 -1.078 0.000 0.994 596 V HN 0.196 nan 8.190 nan 0.000 0.483 597 K N 3.898 123.808 120.400 -0.816 0.000 2.296 597 K HA 0.191 4.509 4.320 -0.003 0.000 0.257 597 K C -0.038 176.259 176.600 -0.505 0.000 1.088 597 K CA -0.091 55.891 56.287 -0.508 0.000 0.980 597 K CB 0.409 32.633 32.500 -0.459 0.000 1.430 597 K HN 0.684 nan 8.250 nan 0.000 0.441 598 W N 0.912 122.093 121.300 -0.199 0.000 2.595 598 W HA -0.008 4.650 4.660 -0.003 0.000 0.257 598 W C 1.805 178.130 176.519 -0.324 0.000 1.267 598 W CA 0.118 57.300 57.345 -0.271 0.000 1.300 598 W CB 0.209 29.446 29.460 -0.372 0.000 1.120 598 W HN 0.630 nan 8.180 nan 0.000 0.618 599 G N -0.063 108.675 108.800 -0.103 0.000 3.061 599 G HA2 -0.014 3.944 3.960 -0.003 0.000 0.208 599 G HA3 -0.014 3.944 3.960 -0.003 0.000 0.208 599 G C 0.303 175.130 174.900 -0.122 0.000 1.175 599 G CA -0.164 44.867 45.100 -0.116 0.000 0.812 599 G HN 0.190 nan 8.290 nan 0.000 0.523 600 Q N -0.319 119.384 119.800 -0.162 0.000 2.347 600 Q HA 0.191 4.529 4.340 -0.003 0.000 0.265 600 Q C 0.983 176.877 176.000 -0.177 0.000 1.024 600 Q CA -0.601 55.101 55.803 -0.169 0.000 0.731 600 Q CB 1.761 30.375 28.738 -0.207 0.000 1.245 600 Q HN 0.290 nan 8.270 nan 0.000 0.472 601 Q N 1.979 121.686 119.800 -0.155 0.000 2.112 601 Q HA -0.280 4.058 4.340 -0.003 0.000 0.206 601 Q C 0.581 176.424 176.000 -0.262 0.000 0.987 601 Q CA 2.453 58.141 55.803 -0.192 0.000 0.858 601 Q CB 0.166 28.724 28.738 -0.300 0.000 0.905 601 Q HN 0.564 nan 8.270 nan 0.000 0.420 602 E N 0.454 120.508 120.200 -0.244 0.000 2.051 602 E HA -0.098 4.250 4.350 -0.003 0.000 0.192 602 E C 1.929 178.445 176.600 -0.141 0.000 0.991 602 E CA 1.409 57.690 56.400 -0.199 0.000 0.799 602 E CB -0.397 29.214 29.700 -0.148 0.000 0.748 602 E HN 0.445 nan 8.360 nan 0.000 0.449 603 I N 0.109 120.570 120.570 -0.181 0.000 2.315 603 I HA -0.212 3.956 4.170 -0.003 0.000 0.248 603 I C 2.080 178.080 176.117 -0.196 0.000 1.117 603 I CA 0.678 61.850 61.300 -0.213 0.000 1.404 603 I CB -0.246 37.459 38.000 -0.493 0.000 1.071 603 I HN -0.037 nan 8.210 nan 0.000 0.419 604 V N 0.785 120.556 119.914 -0.237 0.000 2.255 604 V HA -0.361 3.757 4.120 -0.003 0.000 0.247 604 V C 2.713 178.730 176.094 -0.129 0.000 1.051 604 V CA 2.040 64.224 62.300 -0.193 0.000 1.018 604 V CB -1.388 30.362 31.823 -0.123 0.000 0.641 604 V HN 0.520 nan 8.190 nan 0.000 0.445 605 A N -0.293 122.438 122.820 -0.148 0.000 1.917 605 A HA -0.314 4.004 4.320 -0.003 0.000 0.219 605 A C 2.269 179.896 177.584 0.072 0.000 1.182 605 A CA 2.431 54.419 52.037 -0.082 0.000 0.633 605 A CB -0.504 18.427 19.000 -0.115 0.000 0.819 605 A HN 0.572 nan 8.150 nan 0.000 0.448 606 K N -0.935 119.525 120.400 0.099 0.000 2.057 606 K HA -0.063 4.255 4.320 -0.003 0.000 0.206 606 K C 2.102 178.832 176.600 0.216 0.000 1.050 606 K CA 1.693 58.079 56.287 0.166 0.000 0.935 606 K CB -0.420 32.213 32.500 0.222 0.000 0.715 606 K HN 0.498 nan 8.250 nan 0.000 0.439 607 T N 0.395 115.126 114.554 0.295 0.000 2.699 607 T HA -0.197 4.150 4.350 -0.003 0.000 0.268 607 T C 1.609 176.581 174.700 0.454 0.000 1.036 607 T CA 1.439 63.763 62.100 0.373 0.000 1.147 607 T CB -0.453 68.611 68.868 0.326 0.000 0.862 607 T HN 0.292 nan 8.240 nan 0.000 0.446 608 Y N 1.519 121.929 120.300 0.184 0.000 2.242 608 Y HA -0.153 4.395 4.550 -0.003 0.000 0.291 608 Y C 3.023 178.999 175.900 0.127 0.000 1.137 608 Y CA 0.522 58.720 58.100 0.163 0.000 1.181 608 Y CB -0.186 38.369 38.460 0.157 0.000 0.989 608 Y HN 0.293 nan 8.280 nan 0.000 0.527 609 Q N 0.100 120.071 119.800 0.286 0.000 2.050 609 Q HA -0.234 4.104 4.340 -0.003 0.000 0.202 609 Q C 2.316 178.414 176.000 0.163 0.000 0.980 609 Q CA 1.279 57.206 55.803 0.206 0.000 0.840 609 Q CB -0.294 28.557 28.738 0.188 0.000 0.898 609 Q HN 0.512 nan 8.270 nan 0.000 0.424 610 L N 0.667 121.942 121.223 0.087 0.000 2.187 610 L HA -0.179 4.159 4.340 -0.003 0.000 0.213 610 L C 1.817 178.681 176.870 -0.010 0.000 1.100 610 L CA 1.153 55.919 54.840 -0.123 0.000 0.765 610 L CB -0.023 41.874 42.059 -0.270 0.000 0.904 610 L HN 0.321 nan 8.230 nan 0.000 0.437 611 L N -1.529 119.751 121.223 0.096 0.000 2.463 611 L HA 0.064 4.402 4.340 -0.003 0.000 0.219 611 L C 2.657 179.573 176.870 0.077 0.000 1.088 611 L CA 0.479 55.370 54.840 0.084 0.000 0.849 611 L CB -0.374 41.703 42.059 0.030 0.000 1.012 611 L HN 0.166 nan 8.230 nan 0.000 0.468 612 A N 0.296 123.175 122.820 0.099 0.000 1.958 612 A HA -0.216 4.102 4.320 -0.003 0.000 0.221 612 A C 1.307 178.955 177.584 0.105 0.000 1.178 612 A CA 1.534 53.632 52.037 0.102 0.000 0.642 612 A CB -0.316 18.762 19.000 0.129 0.000 0.816 612 A HN 0.268 nan 8.150 nan 0.000 0.453 613 K N 0.189 120.664 120.400 0.126 0.000 2.354 613 K HA 0.331 4.649 4.320 -0.003 0.000 0.257 613 K C -0.485 176.204 176.600 0.148 0.000 1.062 613 K CA -0.195 56.173 56.287 0.135 0.000 0.971 613 K CB 0.759 33.355 32.500 0.159 0.000 1.305 613 K HN 0.257 nan 8.250 nan 0.000 0.449 614 R N 2.252 122.842 120.500 0.149 0.000 3.130 614 R HA 0.078 4.416 4.340 -0.003 0.000 0.348 614 R C 0.386 176.811 176.300 0.209 0.000 1.241 614 R CA -0.095 56.127 56.100 0.202 0.000 1.141 614 R CB 0.336 30.747 30.300 0.186 0.000 1.453 614 R HN 0.596 nan 8.270 nan 0.000 0.590 615 E N 0.350 120.651 120.200 0.168 0.000 2.028 615 E HA -0.132 4.216 4.350 -0.003 0.000 0.191 615 E C 1.604 178.281 176.600 0.128 0.000 0.988 615 E CA 1.234 57.711 56.400 0.128 0.000 0.799 615 E CB 0.278 30.037 29.700 0.099 0.000 0.755 615 E HN 0.103 nan 8.360 nan 0.000 0.447 616 V N 1.037 121.048 119.914 0.161 0.000 2.568 616 V HA -0.233 3.885 4.120 -0.003 0.000 0.253 616 V C 1.777 177.941 176.094 0.117 0.000 1.072 616 V CA 1.402 63.785 62.300 0.138 0.000 1.084 616 V CB -0.560 31.377 31.823 0.189 0.000 0.676 616 V HN 0.499 nan 8.190 nan 0.000 0.469 617 W N 1.113 122.401 121.300 -0.021 0.000 2.539 617 W HA -0.060 4.598 4.660 -0.004 0.000 0.299 617 W C 2.061 178.522 176.519 -0.097 0.000 1.165 617 W CA 1.225 58.485 57.345 -0.142 0.000 1.400 617 W CB -0.168 29.188 29.460 -0.173 0.000 1.123 617 W HN 0.322 nan 8.180 nan 0.000 0.533 618 D N 0.460 120.943 120.400 0.139 0.000 2.172 618 D HA -0.246 4.392 4.640 -0.003 0.000 0.196 618 D C 1.845 178.095 176.300 -0.084 0.000 0.999 618 D CA 1.699 55.719 54.000 0.034 0.000 0.856 618 D CB -0.533 40.321 40.800 0.091 0.000 0.934 618 D HN 0.337 nan 8.370 nan 0.000 0.453 619 Q N -0.071 119.685 119.800 -0.074 0.000 2.360 619 Q HA 0.069 4.407 4.340 -0.003 0.000 0.202 619 Q C 0.219 176.129 176.000 -0.150 0.000 0.915 619 Q CA -0.235 55.516 55.803 -0.087 0.000 0.943 619 Q CB 0.464 29.180 28.738 -0.038 0.000 1.064 619 Q HN 0.211 nan 8.270 nan 0.000 0.511 620 S N -0.424 115.121 115.700 -0.260 0.000 2.600 620 S HA 0.504 4.972 4.470 -0.003 0.000 0.265 620 S C 0.118 174.530 174.600 -0.313 0.000 1.325 620 S CA -0.686 57.322 58.200 -0.321 0.000 1.002 620 S CB 1.380 64.266 63.200 -0.523 0.000 0.921 620 S HN 0.205 nan 8.310 nan 0.000 0.554 621 A N 1.695 124.358 122.820 -0.261 0.000 2.331 621 A HA 0.519 4.836 4.320 -0.003 0.000 0.283 621 A C 0.043 177.464 177.584 -0.272 0.000 1.142 621 A CA -0.748 51.158 52.037 -0.217 0.000 0.812 621 A CB -0.058 18.848 19.000 -0.157 0.000 1.074 621 A HN 1.043 nan 8.150 nan 0.000 0.497 622 L N 2.152 123.233 121.223 -0.237 0.000 2.640 622 L HA 0.031 4.369 4.340 -0.003 0.000 0.280 622 L C -0.222 176.523 176.870 -0.209 0.000 1.229 622 L CA 0.984 55.682 54.840 -0.236 0.000 0.919 622 L CB -0.005 41.965 42.059 -0.149 0.000 1.168 622 L HN 0.669 nan 8.230 nan 0.000 0.496 623 D N 4.143 124.401 120.400 -0.237 0.000 2.440 623 D HA 0.161 4.799 4.640 -0.003 0.000 0.252 623 D C 0.870 177.069 176.300 -0.167 0.000 1.180 623 D CA -0.421 53.471 54.000 -0.180 0.000 0.894 623 D CB 1.432 42.122 40.800 -0.183 0.000 1.111 623 D HN 0.362 nan 8.370 nan 0.000 0.544 624 V N 3.904 123.705 119.914 -0.188 0.000 2.255 624 V HA -0.163 3.955 4.120 -0.003 0.000 0.247 624 V C 2.572 178.529 176.094 -0.228 0.000 1.051 624 V CA 2.377 64.505 62.300 -0.286 0.000 1.018 624 V CB -0.771 30.719 31.823 -0.554 0.000 0.641 624 V HN 0.699 nan 8.190 nan 0.000 0.445 625 G N -0.546 108.156 108.800 -0.165 0.000 2.513 625 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.219 625 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.219 625 G C 1.655 176.521 174.900 -0.056 0.000 1.160 625 G CA 1.316 46.361 45.100 -0.092 0.000 0.767 625 G HN 0.433 nan 8.290 nan 0.000 0.571 626 L N 0.487 121.684 121.223 -0.043 0.000 2.017 626 L HA -0.098 4.240 4.340 -0.003 0.000 0.208 626 L C 3.167 180.055 176.870 0.030 0.000 1.073 626 L CA 2.042 56.892 54.840 0.017 0.000 0.745 626 L CB -0.620 41.456 42.059 0.029 0.000 0.894 626 L HN 0.301 nan 8.230 nan 0.000 0.432 627 T N -0.379 114.170 114.554 -0.008 0.000 2.788 627 T HA -0.203 4.145 4.350 -0.003 0.000 0.268 627 T C 1.930 176.595 174.700 -0.058 0.000 1.044 627 T CA 1.186 63.284 62.100 -0.003 0.000 1.139 627 T CB -0.121 68.711 68.868 -0.059 0.000 0.867 627 T HN 0.190 nan 8.240 nan 0.000 0.454 628 M N 1.470 121.023 119.600 -0.079 0.000 2.159 628 M HA -0.049 4.429 4.480 -0.003 0.000 0.263 628 M C 2.290 178.568 176.300 -0.038 0.000 1.063 628 M CA 1.389 56.652 55.300 -0.063 0.000 1.110 628 M CB -1.172 31.385 32.600 -0.071 0.000 1.374 628 M HN 0.384 nan 8.290 nan 0.000 0.411 629 Q N 0.101 119.886 119.800 -0.025 0.000 2.291 629 Q HA -0.060 4.278 4.340 -0.003 0.000 0.206 629 Q C 1.948 177.929 176.000 -0.033 0.000 0.976 629 Q CA 0.881 56.692 55.803 0.013 0.000 0.875 629 Q CB -0.213 28.556 28.738 0.052 0.000 0.927 629 Q HN 0.519 nan 8.270 nan 0.000 0.450 630 L N -0.176 120.933 121.223 -0.189 0.000 2.492 630 L HA -0.016 4.322 4.340 -0.003 0.000 0.223 630 L C 1.572 178.328 176.870 -0.191 0.000 1.132 630 L CA 0.389 54.942 54.840 -0.478 0.000 0.850 630 L CB -0.041 41.714 42.059 -0.507 0.000 0.966 630 L HN 0.216 nan 8.230 nan 0.000 0.454 631 L N -0.341 120.843 121.223 -0.066 0.000 2.607 631 L HA 0.071 4.409 4.340 -0.003 0.000 0.228 631 L C 0.897 177.771 176.870 0.006 0.000 1.123 631 L CA -0.426 54.414 54.840 -0.001 0.000 0.890 631 L CB -0.369 41.696 42.059 0.009 0.000 1.103 631 L HN 0.301 nan 8.230 nan 0.000 0.468 632 D N -0.490 119.840 120.400 -0.116 0.000 2.348 632 D HA -0.068 4.569 4.640 -0.003 0.000 0.272 632 D C 1.382 177.182 176.300 -0.833 0.000 1.237 632 D CA -0.131 53.491 54.000 -0.631 0.000 1.042 632 D CB 0.186 40.705 40.800 -0.468 0.000 1.117 632 D HN 0.155 nan 8.370 nan 0.000 0.548 633 C N -1.832 116.766 119.300 -1.171 0.000 2.539 633 C HA 0.258 4.716 4.460 -0.003 0.000 0.271 633 C C 1.444 176.164 174.990 -0.450 0.000 1.412 633 C CA -0.381 58.237 59.018 -0.666 0.000 1.729 633 C CB -2.089 25.372 27.740 -0.465 0.000 1.739 633 C HN 0.457 nan 8.230 nan 0.000 0.570 634 N N -0.092 118.301 118.700 -0.512 0.000 2.416 634 N HA 0.151 4.889 4.740 -0.003 0.000 0.177 634 N C -0.474 174.344 175.510 -1.153 0.000 1.036 634 N CA 0.653 53.227 53.050 -0.793 0.000 0.901 634 N CB 0.005 37.978 38.487 -0.856 0.000 0.976 634 N HN 0.523 nan 8.380 nan 0.000 0.444 635 F N -0.527 119.263 119.950 -0.267 0.000 2.426 635 F HA 0.413 4.938 4.527 -0.003 0.000 0.348 635 F C 0.790 176.306 175.800 -0.473 0.000 1.124 635 F CA -0.869 56.925 58.000 -0.343 0.000 1.008 635 F CB 1.930 40.781 39.000 -0.248 0.000 1.139 635 F HN -0.194 nan 8.300 nan 0.000 0.452 636 S N -0.046 115.243 115.700 -0.686 0.000 2.523 636 S HA -0.012 4.456 4.470 -0.003 0.000 0.217 636 S C -0.065 174.194 174.600 -0.569 0.000 0.996 636 S CA -0.325 57.406 58.200 -0.782 0.000 0.921 636 S CB -0.226 62.096 63.200 -1.463 0.000 0.829 636 S HN 0.712 nan 8.310 nan 0.000 0.495 637 D N 2.149 122.246 120.400 -0.505 0.000 2.390 637 D HA 0.071 4.709 4.640 -0.003 0.000 0.249 637 D C 1.121 177.357 176.300 -0.107 0.000 1.144 637 D CA 0.028 53.891 54.000 -0.229 0.000 0.880 637 D CB 0.700 41.225 40.800 -0.458 0.000 1.182 637 D HN 0.160 nan 8.370 nan 0.000 0.451 638 E N 3.095 123.302 120.200 0.012 0.000 2.110 638 E HA -0.299 4.049 4.350 -0.003 0.000 0.193 638 E C 1.200 177.763 176.600 -0.061 0.000 0.988 638 E CA 0.996 57.401 56.400 0.008 0.000 0.804 638 E CB 0.094 29.835 29.700 0.069 0.000 0.745 638 E HN 0.559 nan 8.360 nan 0.000 0.458 639 N N -0.399 118.237 118.700 -0.107 0.000 2.300 639 N HA -0.098 4.640 4.740 -0.003 0.000 0.179 639 N C 1.651 176.993 175.510 -0.280 0.000 1.016 639 N CA 0.942 53.846 53.050 -0.243 0.000 0.876 639 N CB 0.170 38.334 38.487 -0.539 0.000 0.979 639 N HN 0.013 nan 8.380 nan 0.000 0.432 640 V N 0.615 120.359 119.914 -0.282 0.000 2.548 640 V HA -0.083 4.035 4.120 -0.003 0.000 0.249 640 V C 2.224 178.094 176.094 -0.373 0.000 1.055 640 V CA 1.384 63.413 62.300 -0.451 0.000 1.065 640 V CB -0.401 31.131 31.823 -0.486 0.000 0.681 640 V HN 0.310 nan 8.190 nan 0.000 0.462 641 R N 0.248 120.606 120.500 -0.236 0.000 2.090 641 R HA -0.010 4.328 4.340 -0.003 0.000 0.228 641 R C 2.416 178.621 176.300 -0.157 0.000 1.110 641 R CA 1.279 57.271 56.100 -0.181 0.000 0.973 641 R CB -0.538 29.701 30.300 -0.101 0.000 0.869 641 R HN 0.496 nan 8.270 nan 0.000 0.440 642 A N 1.893 124.632 122.820 -0.136 0.000 2.019 642 A HA -0.138 4.180 4.320 -0.003 0.000 0.219 642 A C 2.173 179.695 177.584 -0.104 0.000 1.164 642 A CA 1.354 53.334 52.037 -0.096 0.000 0.644 642 A CB -0.687 18.270 19.000 -0.071 0.000 0.805 642 A HN 0.482 nan 8.150 nan 0.000 0.449 643 I N -3.262 117.203 120.570 -0.175 0.000 2.439 643 I HA 0.015 4.183 4.170 -0.003 0.000 0.251 643 I C 2.353 178.461 176.117 -0.015 0.000 1.139 643 I CA 1.226 62.439 61.300 -0.144 0.000 1.438 643 I CB -0.575 37.163 38.000 -0.437 0.000 1.085 643 I HN 0.152 nan 8.210 nan 0.000 0.427 644 A N 1.788 124.548 122.820 -0.100 0.000 1.898 644 A HA -0.049 4.269 4.320 -0.003 0.000 0.216 644 A C 2.386 179.934 177.584 -0.061 0.000 1.181 644 A CA 1.906 53.943 52.037 -0.000 0.000 0.620 644 A CB -1.040 17.906 19.000 -0.090 0.000 0.819 644 A HN 0.343 nan 8.150 nan 0.000 0.442 645 V N 0.381 120.219 119.914 -0.126 0.000 2.490 645 V HA -0.320 3.797 4.120 -0.003 0.000 0.250 645 V C 2.653 178.628 176.094 -0.199 0.000 1.061 645 V CA 2.171 64.331 62.300 -0.234 0.000 1.064 645 V CB -0.944 30.772 31.823 -0.179 0.000 0.670 645 V HN 0.757 nan 8.190 nan 0.000 0.461 646 Q N 0.244 120.011 119.800 -0.056 0.000 2.096 646 Q HA -0.260 4.078 4.340 -0.003 0.000 0.204 646 Q C 2.184 178.184 176.000 -0.001 0.000 0.982 646 Q CA 1.567 57.376 55.803 0.010 0.000 0.850 646 Q CB -0.001 28.787 28.738 0.084 0.000 0.901 646 Q HN 0.476 nan 8.270 nan 0.000 0.422 647 K N 0.374 120.779 120.400 0.008 0.000 2.288 647 K HA -0.043 4.275 4.320 -0.003 0.000 0.201 647 K C 2.067 178.608 176.600 -0.099 0.000 1.048 647 K CA 0.553 56.803 56.287 -0.062 0.000 0.956 647 K CB -0.113 32.333 32.500 -0.089 0.000 0.746 647 K HN 0.333 nan 8.250 nan 0.000 0.461 648 L N 1.070 122.182 121.223 -0.185 0.000 2.156 648 L HA -0.082 4.256 4.340 -0.003 0.000 0.208 648 L C 2.028 178.899 176.870 0.002 0.000 1.095 648 L CA 0.697 55.391 54.840 -0.243 0.000 0.770 648 L CB -0.325 41.291 42.059 -0.738 0.000 0.914 648 L HN 0.061 nan 8.230 nan 0.000 0.439 649 E N -0.192 120.049 120.200 0.067 0.000 2.273 649 E HA -0.249 4.099 4.350 -0.003 0.000 0.198 649 E C 2.179 178.910 176.600 0.218 0.000 1.002 649 E CA 1.458 58.063 56.400 0.341 0.000 0.828 649 E CB -0.245 29.580 29.700 0.208 0.000 0.747 649 E HN 0.338 nan 8.360 nan 0.000 0.491 650 S N -0.200 115.567 115.700 0.113 0.000 2.603 650 S HA 0.034 4.502 4.470 -0.003 0.000 0.220 650 S C 0.757 175.409 174.600 0.086 0.000 0.967 650 S CA -0.233 58.009 58.200 0.070 0.000 0.920 650 S CB -0.097 63.106 63.200 0.006 0.000 0.773 650 S HN 0.059 nan 8.310 nan 0.000 0.529 651 L N 2.978 124.291 121.223 0.150 0.000 2.326 651 L HA 0.381 4.719 4.340 -0.003 0.000 0.278 651 L C 0.590 177.546 176.870 0.144 0.000 1.092 651 L CA -0.624 54.307 54.840 0.153 0.000 0.810 651 L CB 1.079 43.270 42.059 0.221 0.000 1.153 651 L HN 0.442 nan 8.230 nan 0.000 0.439 652 E N 1.913 122.181 120.200 0.114 0.000 2.349 652 E HA 0.049 4.397 4.350 -0.003 0.000 0.262 652 E C -0.389 176.283 176.600 0.121 0.000 1.088 652 E CA -0.789 55.672 56.400 0.101 0.000 0.899 652 E CB 1.067 30.816 29.700 0.082 0.000 1.044 652 E HN 0.503 nan 8.360 nan 0.000 0.420 653 D N 1.591 122.053 120.400 0.104 0.000 2.133 653 D HA -0.249 4.389 4.640 -0.003 0.000 0.192 653 D C 1.346 177.726 176.300 0.133 0.000 1.001 653 D CA 2.076 56.135 54.000 0.098 0.000 0.844 653 D CB -0.466 40.379 40.800 0.075 0.000 0.944 653 D HN 0.712 nan 8.370 nan 0.000 0.447 654 D N 0.206 120.724 120.400 0.197 0.000 2.228 654 D HA -0.153 4.485 4.640 -0.003 0.000 0.203 654 D C 1.279 177.761 176.300 0.303 0.000 0.988 654 D CA 1.137 55.319 54.000 0.304 0.000 0.864 654 D CB 0.043 41.051 40.800 0.347 0.000 0.928 654 D HN 0.089 nan 8.370 nan 0.000 0.469 655 D N -0.808 119.727 120.400 0.225 0.000 2.183 655 D HA -0.049 4.589 4.640 -0.003 0.000 0.205 655 D C 2.301 178.758 176.300 0.262 0.000 0.962 655 D CA 0.283 54.423 54.000 0.233 0.000 0.849 655 D CB -0.077 40.843 40.800 0.200 0.000 0.978 655 D HN 0.141 nan 8.370 nan 0.000 0.488 656 V N 1.665 121.714 119.914 0.225 0.000 2.282 656 V HA -0.240 3.878 4.120 -0.003 0.000 0.249 656 V C 2.637 178.824 176.094 0.156 0.000 1.057 656 V CA 1.266 63.701 62.300 0.225 0.000 1.032 656 V CB -0.491 31.427 31.823 0.159 0.000 0.645 656 V HN 0.214 nan 8.190 nan 0.000 0.447 657 L N -0.987 120.280 121.223 0.073 0.000 2.261 657 L HA -0.224 4.114 4.340 -0.003 0.000 0.216 657 L C 2.314 179.096 176.870 -0.146 0.000 1.114 657 L CA 1.411 56.214 54.840 -0.063 0.000 0.777 657 L CB -0.603 41.361 42.059 -0.159 0.000 0.910 657 L HN 0.466 nan 8.230 nan 0.000 0.440 658 H N -2.453 116.507 119.070 -0.184 0.000 2.465 658 H HA -0.016 4.538 4.556 -0.003 0.000 0.289 658 H C 0.690 175.685 175.328 -0.556 0.000 1.022 658 H CA 1.137 56.929 56.048 -0.426 0.000 1.340 658 H CB 0.273 29.641 29.762 -0.656 0.000 1.437 658 H HN 0.255 nan 8.280 nan 0.000 0.539 659 Y N -0.766 119.613 120.300 0.131 0.000 2.636 659 Y HA 0.106 4.653 4.550 -0.004 0.000 0.260 659 Y C 1.319 177.259 175.900 0.068 0.000 1.177 659 Y CA -0.378 57.765 58.100 0.072 0.000 1.209 659 Y CB 0.520 39.022 38.460 0.069 0.000 1.166 659 Y HN 0.108 nan 8.280 nan 0.000 0.531 660 L N 0.136 121.460 121.223 0.168 0.000 1.988 660 L HA -0.158 4.180 4.340 -0.003 0.000 0.207 660 L C 2.207 179.151 176.870 0.123 0.000 1.071 660 L CA 1.534 56.497 54.840 0.206 0.000 0.744 660 L CB -0.825 41.401 42.059 0.279 0.000 0.893 660 L HN 0.311 nan 8.230 nan 0.000 0.433 661 L N -0.025 121.151 121.223 -0.078 0.000 2.010 661 L HA -0.306 4.031 4.340 -0.003 0.000 0.219 661 L C 2.551 179.278 176.870 -0.238 0.000 1.077 661 L CA 2.151 56.676 54.840 -0.525 0.000 0.773 661 L CB -1.152 40.449 42.059 -0.765 0.000 0.892 661 L HN 0.516 nan 8.230 nan 0.000 0.436 662 Q N -0.831 118.907 119.800 -0.103 0.000 2.119 662 Q HA -0.149 4.189 4.340 -0.003 0.000 0.201 662 Q C 2.442 178.457 176.000 0.024 0.000 0.972 662 Q CA 1.557 57.340 55.803 -0.032 0.000 0.847 662 Q CB -0.414 28.345 28.738 0.035 0.000 0.903 662 Q HN 0.552 nan 8.270 nan 0.000 0.433 663 L N 0.288 121.559 121.223 0.080 0.000 2.012 663 L HA -0.175 4.163 4.340 -0.003 0.000 0.210 663 L C 2.480 179.403 176.870 0.089 0.000 1.073 663 L CA 0.921 55.828 54.840 0.112 0.000 0.748 663 L CB -0.502 41.671 42.059 0.190 0.000 0.891 663 L HN 0.041 nan 8.230 nan 0.000 0.431 664 V N -0.749 119.200 119.914 0.059 0.000 2.358 664 V HA -0.246 3.872 4.120 -0.003 0.000 0.246 664 V C 2.512 178.593 176.094 -0.022 0.000 1.047 664 V CA 1.371 63.692 62.300 0.035 0.000 1.035 664 V CB -0.469 31.344 31.823 -0.017 0.000 0.658 664 V HN 0.484 nan 8.190 nan 0.000 0.452 665 Q N -0.011 119.725 119.800 -0.107 0.000 2.226 665 Q HA -0.114 4.224 4.340 -0.003 0.000 0.204 665 Q C 2.368 178.238 176.000 -0.216 0.000 0.975 665 Q CA 1.665 57.369 55.803 -0.164 0.000 0.866 665 Q CB -0.648 27.979 28.738 -0.185 0.000 0.915 665 Q HN 0.660 nan 8.270 nan 0.000 0.440 666 A N 0.437 123.215 122.820 -0.071 0.000 2.070 666 A HA -0.073 4.244 4.320 -0.003 0.000 0.220 666 A C 2.317 179.853 177.584 -0.080 0.000 1.159 666 A CA 0.859 52.901 52.037 0.007 0.000 0.656 666 A CB -0.410 18.684 19.000 0.158 0.000 0.800 666 A HN 0.199 nan 8.150 nan 0.000 0.453 667 V N 0.120 120.001 119.914 -0.055 0.000 2.720 667 V HA -0.250 3.868 4.120 -0.003 0.000 0.256 667 V C 2.136 178.046 176.094 -0.308 0.000 1.082 667 V CA 2.148 64.405 62.300 -0.072 0.000 1.101 667 V CB -0.666 31.205 31.823 0.079 0.000 0.693 667 V HN 0.578 nan 8.190 nan 0.000 0.479 668 K N -0.567 119.492 120.400 -0.569 0.000 2.439 668 K HA -0.005 4.313 4.320 -0.003 0.000 0.197 668 K C 1.487 177.689 176.600 -0.664 0.000 1.041 668 K CA 1.085 56.793 56.287 -0.966 0.000 0.970 668 K CB -0.146 31.535 32.500 -1.365 0.000 0.773 668 K HN 0.502 nan 8.250 nan 0.000 0.479 669 F N 1.298 121.136 119.950 -0.186 0.000 2.727 669 F HA 0.086 4.611 4.527 -0.003 0.000 0.302 669 F C 0.666 176.386 175.800 -0.134 0.000 1.097 669 F CA -0.407 57.510 58.000 -0.138 0.000 1.330 669 F CB 0.307 39.238 39.000 -0.114 0.000 1.084 669 F HN -0.176 nan 8.300 nan 0.000 0.578 670 E N 2.787 122.986 120.200 -0.002 0.000 2.376 670 E HA 0.004 4.352 4.350 -0.003 0.000 0.266 670 E C -1.463 175.073 176.600 -0.107 0.000 1.009 670 E CA -1.321 55.060 56.400 -0.030 0.000 0.902 670 E CB 0.594 30.288 29.700 -0.011 0.000 0.972 670 E HN 0.079 nan 8.360 nan 0.000 0.439 671 P HA -0.064 nan 4.420 nan 0.000 0.225 671 P C -0.238 176.686 177.300 -0.627 0.000 1.156 671 P CA 1.037 63.899 63.100 -0.396 0.000 0.787 671 P CB 0.277 31.683 31.700 -0.490 0.000 0.802 672 Y N -1.625 118.598 120.300 -0.128 0.000 2.549 672 Y HA 0.297 4.845 4.550 -0.003 0.000 0.339 672 Y C 2.241 178.067 175.900 -0.124 0.000 1.053 672 Y CA -0.827 57.163 58.100 -0.184 0.000 1.105 672 Y CB 0.764 39.173 38.460 -0.086 0.000 1.258 672 Y HN -0.142 nan 8.280 nan 0.000 0.478 673 H N -0.518 118.644 119.070 0.153 0.000 2.457 673 H HA -0.068 4.486 4.556 -0.003 0.000 0.294 673 H C -0.242 175.139 175.328 0.089 0.000 1.064 673 H CA 1.047 57.132 56.048 0.061 0.000 1.330 673 H CB 0.049 29.828 29.762 0.029 0.000 1.395 673 H HN 0.545 nan 8.280 nan 0.000 0.541 674 D N 0.992 121.557 120.400 0.275 0.000 2.233 674 D HA 0.290 4.927 4.640 -0.003 0.000 0.240 674 D C -0.463 175.938 176.300 0.168 0.000 1.074 674 D CA -0.466 53.653 54.000 0.199 0.000 0.838 674 D CB 1.111 42.038 40.800 0.212 0.000 1.124 674 D HN 0.222 nan 8.370 nan 0.000 0.475 675 S N 1.728 117.508 115.700 0.133 0.000 2.615 675 S HA 0.640 5.108 4.470 -0.003 0.000 0.269 675 S C 0.843 175.506 174.600 0.104 0.000 1.161 675 S CA -0.344 57.925 58.200 0.115 0.000 0.817 675 S CB 0.976 64.237 63.200 0.103 0.000 1.131 675 S HN 0.383 nan 8.310 nan 0.000 0.467 676 A N 0.569 123.439 122.820 0.084 0.000 1.908 676 A HA -0.008 4.310 4.320 -0.003 0.000 0.218 676 A C 2.026 179.679 177.584 0.114 0.000 1.181 676 A CA 1.939 54.028 52.037 0.086 0.000 0.627 676 A CB -1.067 17.959 19.000 0.043 0.000 0.818 676 A HN 1.183 nan 8.150 nan 0.000 0.445 677 L N -0.428 120.847 121.223 0.088 0.000 2.093 677 L HA 0.035 4.373 4.340 -0.003 0.000 0.208 677 L C 2.571 179.553 176.870 0.186 0.000 1.085 677 L CA 2.113 57.023 54.840 0.116 0.000 0.755 677 L CB -0.687 41.411 42.059 0.065 0.000 0.904 677 L HN 0.310 nan 8.230 nan 0.000 0.435 678 A N -0.346 122.560 122.820 0.143 0.000 1.972 678 A HA -0.205 4.113 4.320 -0.003 0.000 0.219 678 A C 2.410 180.087 177.584 0.155 0.000 1.169 678 A CA 1.813 53.937 52.037 0.145 0.000 0.635 678 A CB -0.501 18.569 19.000 0.117 0.000 0.810 678 A HN 0.515 nan 8.150 nan 0.000 0.446 679 R N -2.219 118.377 120.500 0.159 0.000 2.119 679 R HA 0.090 4.428 4.340 -0.003 0.000 0.222 679 R C 1.839 178.251 176.300 0.186 0.000 1.088 679 R CA 1.029 57.216 56.100 0.145 0.000 0.984 679 R CB -0.369 30.005 30.300 0.123 0.000 0.884 679 R HN 0.605 nan 8.270 nan 0.000 0.447 680 F N 1.307 121.296 119.950 0.065 0.000 2.075 680 F HA -0.163 4.362 4.527 -0.003 0.000 0.297 680 F C 1.601 177.448 175.800 0.078 0.000 1.113 680 F CA 1.510 59.550 58.000 0.067 0.000 1.218 680 F CB -0.163 38.874 39.000 0.061 0.000 0.984 680 F HN -0.124 nan 8.300 nan 0.000 0.472 681 L N -0.070 121.274 121.223 0.202 0.000 2.127 681 L HA -0.246 4.092 4.340 -0.003 0.000 0.211 681 L C 2.554 179.440 176.870 0.027 0.000 1.089 681 L CA 0.924 55.806 54.840 0.072 0.000 0.757 681 L CB -0.850 41.293 42.059 0.140 0.000 0.899 681 L HN 0.317 nan 8.230 nan 0.000 0.434 682 L N 0.001 121.268 121.223 0.074 0.000 1.976 682 L HA -0.259 4.079 4.340 -0.003 0.000 0.209 682 L C 2.855 179.774 176.870 0.082 0.000 1.071 682 L CA 1.642 56.550 54.840 0.113 0.000 0.746 682 L CB -0.309 41.812 42.059 0.103 0.000 0.890 682 L HN 0.289 nan 8.230 nan 0.000 0.432 683 K N -0.456 119.950 120.400 0.011 0.000 2.044 683 K HA -0.220 4.097 4.320 -0.003 0.000 0.210 683 K C 2.114 178.667 176.600 -0.079 0.000 1.049 683 K CA 1.346 57.612 56.287 -0.035 0.000 0.927 683 K CB 0.045 32.513 32.500 -0.053 0.000 0.713 683 K HN 0.205 nan 8.250 nan 0.000 0.443 684 R N -0.473 119.907 120.500 -0.200 0.000 2.189 684 R HA -0.011 4.327 4.340 -0.003 0.000 0.218 684 R C 2.183 178.482 176.300 -0.002 0.000 1.074 684 R CA 0.947 56.939 56.100 -0.179 0.000 0.991 684 R CB -0.705 29.378 30.300 -0.361 0.000 0.883 684 R HN 0.385 nan 8.270 nan 0.000 0.457 685 G N 1.043 109.885 108.800 0.071 0.000 2.454 685 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.214 685 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.214 685 G C 1.542 176.691 174.900 0.416 0.000 1.217 685 G CA 0.046 45.291 45.100 0.241 0.000 0.799 685 G HN 0.165 nan 8.290 nan 0.000 0.538 686 L N 0.067 121.476 121.223 0.310 0.000 2.129 686 L HA -0.099 4.239 4.340 -0.003 0.000 0.212 686 L C 2.882 179.798 176.870 0.077 0.000 1.087 686 L CA 1.119 56.025 54.840 0.109 0.000 0.757 686 L CB -0.280 41.772 42.059 -0.013 0.000 0.896 686 L HN 0.159 nan 8.230 nan 0.000 0.434 687 R N -0.103 120.456 120.500 0.100 0.000 2.276 687 R HA -0.024 4.314 4.340 -0.003 0.000 0.203 687 R C 0.232 176.690 176.300 0.264 0.000 1.017 687 R CA 0.303 56.463 56.100 0.099 0.000 1.010 687 R CB 0.183 30.508 30.300 0.042 0.000 0.900 687 R HN 0.311 nan 8.270 nan 0.000 0.469 688 N N -0.100 118.792 118.700 0.321 0.000 2.406 688 N HA 0.059 4.797 4.740 -0.003 0.000 0.283 688 N C -0.585 175.030 175.510 0.176 0.000 1.074 688 N CA -0.284 52.913 53.050 0.244 0.000 0.916 688 N CB 1.822 40.385 38.487 0.126 0.000 1.639 688 N HN -0.199 nan 8.380 nan 0.000 0.485 689 K N 1.488 121.884 120.400 -0.006 0.000 2.155 689 K HA 0.053 4.371 4.320 -0.003 0.000 0.203 689 K C 1.750 178.305 176.600 -0.075 0.000 1.052 689 K CA 0.765 56.984 56.287 -0.114 0.000 0.948 689 K CB 0.352 32.623 32.500 -0.382 0.000 0.728 689 K HN 0.439 nan 8.250 nan 0.000 0.448 690 R N 1.072 121.511 120.500 -0.101 0.000 2.062 690 R HA -0.010 4.328 4.340 -0.003 0.000 0.229 690 R C 2.116 178.478 176.300 0.103 0.000 1.128 690 R CA 1.070 57.131 56.100 -0.065 0.000 0.960 690 R CB -0.087 30.081 30.300 -0.220 0.000 0.855 690 R HN 0.109 nan 8.270 nan 0.000 0.432 691 I N -0.027 120.577 120.570 0.057 0.000 2.226 691 I HA -0.182 3.986 4.170 -0.003 0.000 0.245 691 I C 2.330 178.477 176.117 0.049 0.000 1.100 691 I CA 1.553 62.897 61.300 0.074 0.000 1.374 691 I CB -0.581 37.445 38.000 0.044 0.000 1.057 691 I HN 0.413 nan 8.210 nan 0.000 0.413 692 G N -0.565 108.297 108.800 0.104 0.000 2.448 692 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.218 692 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.218 692 G C 1.450 176.316 174.900 -0.057 0.000 1.135 692 G CA 0.739 45.865 45.100 0.043 0.000 0.784 692 G HN 0.399 nan 8.290 nan 0.000 0.543 693 H N 0.168 119.253 119.070 0.024 0.000 2.321 693 H HA -0.012 4.542 4.556 -0.004 0.000 0.300 693 H C 2.007 177.188 175.328 -0.244 0.000 1.087 693 H CA 1.533 57.562 56.048 -0.033 0.000 1.319 693 H CB -0.369 29.235 29.762 -0.264 0.000 1.379 693 H HN 0.343 nan 8.280 nan 0.000 0.501 694 F N -0.697 119.030 119.950 -0.371 0.000 2.259 694 F HA -0.033 4.492 4.527 -0.003 0.000 0.298 694 F C 2.403 177.709 175.800 -0.823 0.000 1.088 694 F CA 0.689 58.277 58.000 -0.686 0.000 1.358 694 F CB -0.263 38.301 39.000 -0.726 0.000 1.040 694 F HN 0.212 nan 8.300 nan 0.000 0.505 695 L N -0.719 120.272 121.223 -0.386 0.000 2.093 695 L HA -0.183 4.155 4.340 -0.003 0.000 0.208 695 L C 2.254 178.851 176.870 -0.455 0.000 1.085 695 L CA 1.469 56.101 54.840 -0.347 0.000 0.755 695 L CB -0.757 41.079 42.059 -0.371 0.000 0.904 695 L HN 0.156 nan 8.230 nan 0.000 0.435 696 F N -0.617 118.855 119.950 -0.796 0.000 2.046 696 F HA -0.272 4.254 4.527 -0.003 0.000 0.297 696 F C 1.841 177.202 175.800 -0.732 0.000 1.123 696 F CA 2.096 59.549 58.000 -0.912 0.000 1.199 696 F CB -0.644 37.545 39.000 -1.352 0.000 0.972 696 F HN 0.109 nan 8.300 nan 0.000 0.474 697 W N -0.267 120.774 121.300 -0.432 0.000 2.388 697 W HA -0.125 4.533 4.660 -0.003 0.000 0.294 697 W C 2.482 178.909 176.519 -0.154 0.000 1.212 697 W CA 1.179 58.322 57.345 -0.337 0.000 1.271 697 W CB -0.861 28.445 29.460 -0.256 0.000 1.126 697 W HN 0.025 nan 8.180 nan 0.000 0.535 698 F N -0.160 119.767 119.950 -0.038 0.000 2.171 698 F HA -0.218 4.307 4.527 -0.003 0.000 0.300 698 F C 2.017 177.616 175.800 -0.335 0.000 1.090 698 F CA 0.564 58.480 58.000 -0.141 0.000 1.293 698 F CB -0.691 38.239 39.000 -0.117 0.000 1.013 698 F HN -0.146 nan 8.300 nan 0.000 0.486 699 L N -0.317 120.761 121.223 -0.243 0.000 2.095 699 L HA -0.083 4.255 4.340 -0.003 0.000 0.204 699 L C 2.492 179.123 176.870 -0.399 0.000 1.080 699 L CA 0.829 55.404 54.840 -0.442 0.000 0.759 699 L CB -0.586 41.251 42.059 -0.370 0.000 0.914 699 L HN -0.018 nan 8.230 nan 0.000 0.439 700 R N -0.120 120.098 120.500 -0.471 0.000 2.127 700 R HA -0.192 4.146 4.340 -0.003 0.000 0.238 700 R C 2.572 178.762 176.300 -0.183 0.000 1.134 700 R CA 1.554 57.392 56.100 -0.436 0.000 0.975 700 R CB -0.191 29.634 30.300 -0.792 0.000 0.865 700 R HN 0.246 nan 8.270 nan 0.000 0.447 701 S N 0.239 115.883 115.700 -0.094 0.000 2.370 701 S HA -0.142 4.326 4.470 -0.003 0.000 0.226 701 S C 1.554 176.108 174.600 -0.077 0.000 1.033 701 S CA 1.368 59.557 58.200 -0.018 0.000 1.011 701 S CB -0.097 63.122 63.200 0.032 0.000 0.852 701 S HN 0.385 nan 8.310 nan 0.000 0.457 702 E N 0.431 120.522 120.200 -0.183 0.000 2.216 702 E HA 0.092 4.440 4.350 -0.003 0.000 0.192 702 E C 1.982 178.564 176.600 -0.031 0.000 0.988 702 E CA 0.503 56.811 56.400 -0.154 0.000 0.834 702 E CB -0.242 29.218 29.700 -0.400 0.000 0.772 702 E HN 0.609 nan 8.360 nan 0.000 0.479 703 I N 1.046 121.578 120.570 -0.063 0.000 2.439 703 I HA -0.157 4.011 4.170 -0.003 0.000 0.251 703 I C 2.335 178.462 176.117 0.017 0.000 1.139 703 I CA 0.824 62.119 61.300 -0.008 0.000 1.438 703 I CB -0.132 37.843 38.000 -0.042 0.000 1.085 703 I HN -0.040 nan 8.210 nan 0.000 0.427 704 A N 0.348 123.174 122.820 0.009 0.000 2.067 704 A HA -0.175 4.143 4.320 -0.003 0.000 0.219 704 A C 1.951 179.570 177.584 0.058 0.000 1.158 704 A CA 1.577 53.640 52.037 0.044 0.000 0.661 704 A CB -0.327 18.700 19.000 0.045 0.000 0.801 704 A HN 0.653 nan 8.150 nan 0.000 0.452 705 Q N -1.860 117.968 119.800 0.048 0.000 2.057 705 Q HA 0.324 4.661 4.340 -0.003 0.000 0.216 705 Q C -0.268 175.772 176.000 0.067 0.000 0.788 705 Q CA 0.189 56.026 55.803 0.057 0.000 1.053 705 Q CB 0.071 28.835 28.738 0.043 0.000 1.210 705 Q HN 0.221 nan 8.270 nan 0.000 0.455 706 S N 0.451 116.197 115.700 0.077 0.000 2.667 706 S HA 0.428 4.896 4.470 -0.003 0.000 0.304 706 S C 0.113 174.763 174.600 0.085 0.000 1.135 706 S CA -0.534 57.730 58.200 0.107 0.000 1.125 706 S CB 1.279 64.577 63.200 0.163 0.000 0.996 706 S HN 0.393 nan 8.310 nan 0.000 0.474 707 R N 2.308 122.855 120.500 0.078 0.000 2.193 707 R HA 0.117 4.455 4.340 -0.003 0.000 0.213 707 R C 1.189 177.439 176.300 -0.082 0.000 1.055 707 R CA 1.444 57.577 56.100 0.055 0.000 0.995 707 R CB -0.274 30.140 30.300 0.191 0.000 0.893 707 R HN 0.753 nan 8.270 nan 0.000 0.459 708 H N -2.437 116.385 119.070 -0.413 0.000 2.423 708 H HA -0.059 4.495 4.556 -0.003 0.000 0.297 708 H C 0.494 175.352 175.328 -0.784 0.000 1.075 708 H CA 1.764 57.345 56.048 -0.778 0.000 1.342 708 H CB 0.169 29.377 29.762 -0.923 0.000 1.395 708 H HN 0.256 nan 8.280 nan 0.000 0.530 709 Y N -0.173 120.119 120.300 -0.013 0.000 2.563 709 Y HA 0.022 4.569 4.550 -0.004 0.000 0.250 709 Y C 2.032 177.876 175.900 -0.093 0.000 1.126 709 Y CA -0.341 57.702 58.100 -0.096 0.000 1.231 709 Y CB 0.464 38.867 38.460 -0.095 0.000 1.288 709 Y HN 0.186 nan 8.280 nan 0.000 0.537 710 Q N 0.768 120.563 119.800 -0.009 0.000 2.112 710 Q HA -0.290 4.048 4.340 -0.003 0.000 0.206 710 Q C 1.095 176.856 176.000 -0.399 0.000 0.987 710 Q CA 2.204 57.910 55.803 -0.163 0.000 0.858 710 Q CB -0.330 28.215 28.738 -0.321 0.000 0.905 710 Q HN 0.562 nan 8.270 nan 0.000 0.420 711 Q N 0.627 120.155 119.800 -0.454 0.000 1.993 711 Q HA -0.162 4.176 4.340 -0.003 0.000 0.202 711 Q C 2.343 178.149 176.000 -0.323 0.000 0.984 711 Q CA 1.874 57.415 55.803 -0.438 0.000 0.837 711 Q CB -0.260 28.306 28.738 -0.288 0.000 0.902 711 Q HN 0.423 nan 8.270 nan 0.000 0.423 712 R N 0.154 120.459 120.500 -0.324 0.000 2.091 712 R HA -0.152 4.186 4.340 -0.003 0.000 0.238 712 R C 1.977 178.126 176.300 -0.251 0.000 1.136 712 R CA 1.456 57.347 56.100 -0.349 0.000 0.959 712 R CB -0.218 29.954 30.300 -0.214 0.000 0.856 712 R HN 0.235 nan 8.270 nan 0.000 0.437 713 F N 0.436 120.337 119.950 -0.081 0.000 2.206 713 F HA -0.031 4.494 4.527 -0.004 0.000 0.298 713 F C 2.636 178.366 175.800 -0.117 0.000 1.090 713 F CA 0.617 58.564 58.000 -0.089 0.000 1.323 713 F CB -0.240 38.705 39.000 -0.091 0.000 1.028 713 F HN 0.188 nan 8.300 nan 0.000 0.492 714 A N 0.013 122.839 122.820 0.011 0.000 1.948 714 A HA -0.177 4.141 4.320 -0.003 0.000 0.220 714 A C 2.257 179.844 177.584 0.005 0.000 1.177 714 A CA 2.001 54.035 52.037 -0.005 0.000 0.636 714 A CB -1.206 17.792 19.000 -0.004 0.000 0.815 714 A HN 0.196 nan 8.150 nan 0.000 0.449 715 V N -0.158 119.736 119.914 -0.034 0.000 2.515 715 V HA -0.223 3.895 4.120 -0.003 0.000 0.250 715 V C 2.342 178.443 176.094 0.012 0.000 1.058 715 V CA 1.857 64.142 62.300 -0.024 0.000 1.064 715 V CB -0.591 31.186 31.823 -0.078 0.000 0.675 715 V HN 0.575 nan 8.190 nan 0.000 0.461 716 I N -0.811 119.781 120.570 0.036 0.000 2.353 716 I HA -0.198 3.970 4.170 -0.003 0.000 0.248 716 I C 2.290 178.454 176.117 0.078 0.000 1.119 716 I CA 1.278 62.623 61.300 0.075 0.000 1.417 716 I CB -0.141 37.934 38.000 0.124 0.000 1.078 716 I HN 0.262 nan 8.210 nan 0.000 0.421 717 L N 0.658 121.906 121.223 0.042 0.000 2.072 717 L HA -0.207 4.131 4.340 -0.003 0.000 0.205 717 L C 2.568 179.480 176.870 0.071 0.000 1.079 717 L CA 1.580 56.429 54.840 0.014 0.000 0.752 717 L CB -0.279 41.709 42.059 -0.118 0.000 0.906 717 L HN 0.328 nan 8.230 nan 0.000 0.436 718 E N 0.279 120.496 120.200 0.029 0.000 2.049 718 E HA -0.287 4.060 4.350 -0.003 0.000 0.198 718 E C 2.072 178.689 176.600 0.027 0.000 1.007 718 E CA 1.677 58.080 56.400 0.006 0.000 0.809 718 E CB -0.156 29.536 29.700 -0.014 0.000 0.749 718 E HN 0.476 nan 8.360 nan 0.000 0.450 719 A N 0.047 122.895 122.820 0.046 0.000 1.958 719 A HA -0.244 4.074 4.320 -0.003 0.000 0.221 719 A C 2.152 179.781 177.584 0.075 0.000 1.178 719 A CA 1.815 53.883 52.037 0.052 0.000 0.642 719 A CB -1.075 17.961 19.000 0.059 0.000 0.816 719 A HN 0.681 nan 8.150 nan 0.000 0.453 720 Y N 0.073 120.376 120.300 0.005 0.000 2.220 720 Y HA 0.021 4.569 4.550 -0.003 0.000 0.291 720 Y C 1.793 177.715 175.900 0.037 0.000 1.129 720 Y CA 1.478 59.589 58.100 0.019 0.000 1.161 720 Y CB -0.221 38.242 38.460 0.004 0.000 0.997 720 Y HN 0.182 nan 8.280 nan 0.000 0.522 721 L N 0.250 121.500 121.223 0.044 0.000 2.450 721 L HA -0.129 4.208 4.340 -0.003 0.000 0.224 721 L C 1.968 178.813 176.870 -0.042 0.000 1.149 721 L CA 0.992 55.821 54.840 -0.019 0.000 0.816 721 L CB -0.329 41.749 42.059 0.031 0.000 0.932 721 L HN 0.161 nan 8.230 nan 0.000 0.449 722 R N -0.629 119.849 120.500 -0.036 0.000 2.317 722 R HA 0.101 4.439 4.340 -0.003 0.000 0.208 722 R C 1.382 177.683 176.300 0.002 0.000 0.914 722 R CA 0.567 56.693 56.100 0.043 0.000 1.060 722 R CB 0.338 30.670 30.300 0.054 0.000 1.015 722 R HN 0.302 nan 8.270 nan 0.000 0.498 723 G N -0.656 108.079 108.800 -0.108 0.000 4.000 723 G HA2 -0.054 3.904 3.960 -0.003 0.000 0.260 723 G HA3 -0.054 3.904 3.960 -0.003 0.000 0.260 723 G C 1.019 175.806 174.900 -0.187 0.000 1.047 723 G CA -0.187 44.835 45.100 -0.129 0.000 0.860 723 G HN 0.367 nan 8.290 nan 0.000 0.464 724 C N -0.711 118.439 119.300 -0.250 0.000 2.467 724 C HA 0.612 5.070 4.460 -0.003 0.000 0.279 724 C C 1.466 176.513 174.990 0.095 0.000 1.347 724 C CA 0.347 59.289 59.018 -0.127 0.000 1.748 724 C CB -0.765 26.820 27.740 -0.258 0.000 1.977 724 C HN 1.294 nan 8.230 nan 0.000 0.501 725 G N -0.918 107.907 108.800 0.041 0.000 2.362 725 G HA2 0.156 4.114 3.960 -0.003 0.000 0.656 725 G HA3 0.156 4.114 3.960 -0.003 0.000 0.656 725 G C 0.001 174.934 174.900 0.054 0.000 1.376 725 G CA -0.016 45.123 45.100 0.066 0.000 0.971 725 G HN 0.134 nan 8.290 nan 0.000 0.636 726 T N 0.898 115.478 114.554 0.044 0.000 2.788 726 T HA 0.064 4.412 4.350 -0.003 0.000 0.268 726 T C 2.853 177.576 174.700 0.038 0.000 1.044 726 T CA 2.880 65.007 62.100 0.046 0.000 1.139 726 T CB -0.482 68.396 68.868 0.015 0.000 0.867 726 T HN 1.454 nan 8.240 nan 0.000 0.454 727 A N 1.887 124.713 122.820 0.011 0.000 1.851 727 A HA -0.133 4.185 4.320 -0.003 0.000 0.216 727 A C 2.353 179.881 177.584 -0.094 0.000 1.195 727 A CA 1.818 53.847 52.037 -0.012 0.000 0.622 727 A CB -0.767 18.212 19.000 -0.035 0.000 0.831 727 A HN 0.446 nan 8.150 nan 0.000 0.444 728 M N -1.427 118.065 119.600 -0.179 0.000 2.159 728 M HA -0.123 4.355 4.480 -0.003 0.000 0.263 728 M C 2.040 178.042 176.300 -0.496 0.000 1.063 728 M CA 1.064 56.074 55.300 -0.483 0.000 1.110 728 M CB -0.493 31.859 32.600 -0.413 0.000 1.374 728 M HN 0.350 nan 8.290 nan 0.000 0.411 729 L N -0.311 120.859 121.223 -0.089 0.000 2.191 729 L HA -0.209 4.129 4.340 -0.003 0.000 0.212 729 L C 2.438 179.328 176.870 0.032 0.000 1.103 729 L CA 1.974 56.859 54.840 0.075 0.000 0.769 729 L CB -0.984 41.161 42.059 0.143 0.000 0.908 729 L HN 0.352 nan 8.230 nan 0.000 0.438 730 H N -1.619 117.399 119.070 -0.087 0.000 2.431 730 H HA -0.031 4.524 4.556 -0.003 0.000 0.295 730 H C 1.780 177.048 175.328 -0.101 0.000 1.038 730 H CA 1.303 57.316 56.048 -0.059 0.000 1.360 730 H CB 0.103 29.837 29.762 -0.047 0.000 1.433 730 H HN 0.209 nan 8.280 nan 0.000 0.536 731 D N 0.218 120.331 120.400 -0.478 0.000 2.123 731 D HA -0.171 4.467 4.640 -0.003 0.000 0.196 731 D C 1.987 178.083 176.300 -0.340 0.000 0.992 731 D CA 1.245 54.950 54.000 -0.491 0.000 0.833 731 D CB -0.544 39.934 40.800 -0.537 0.000 0.954 731 D HN 0.442 nan 8.370 nan 0.000 0.455 732 F N 0.881 120.658 119.950 -0.289 0.000 2.216 732 F HA -0.166 4.359 4.527 -0.003 0.000 0.300 732 F C 2.560 178.242 175.800 -0.196 0.000 1.085 732 F CA 0.913 58.671 58.000 -0.402 0.000 1.326 732 F CB -0.271 38.257 39.000 -0.785 0.000 1.027 732 F HN -0.063 nan 8.300 nan 0.000 0.497 733 T N -1.093 113.460 114.554 -0.001 0.000 2.857 733 T HA -0.154 4.194 4.350 -0.003 0.000 0.266 733 T C 1.887 176.586 174.700 -0.003 0.000 1.048 733 T CA 0.866 62.976 62.100 0.017 0.000 1.139 733 T CB -0.187 68.691 68.868 0.017 0.000 0.874 733 T HN 0.122 nan 8.240 nan 0.000 0.455 734 Q N 1.387 121.131 119.800 -0.093 0.000 2.124 734 Q HA -0.043 4.295 4.340 -0.003 0.000 0.202 734 Q C 2.400 178.404 176.000 0.005 0.000 0.977 734 Q CA 1.383 57.156 55.803 -0.051 0.000 0.850 734 Q CB -0.386 28.288 28.738 -0.106 0.000 0.901 734 Q HN 0.659 nan 8.270 nan 0.000 0.429 735 Q N -0.282 119.564 119.800 0.076 0.000 2.016 735 Q HA -0.069 4.269 4.340 -0.003 0.000 0.200 735 Q C 2.280 178.412 176.000 0.221 0.000 0.978 735 Q CA 1.344 57.251 55.803 0.173 0.000 0.833 735 Q CB -0.084 28.932 28.738 0.463 0.000 0.895 735 Q HN 0.144 nan 8.270 nan 0.000 0.427 736 V N 1.133 121.193 119.914 0.244 0.000 2.332 736 V HA -0.314 3.804 4.120 -0.003 0.000 0.248 736 V C 2.213 178.384 176.094 0.129 0.000 1.055 736 V CA 1.986 64.428 62.300 0.237 0.000 1.038 736 V CB -0.532 31.400 31.823 0.182 0.000 0.651 736 V HN 0.353 nan 8.190 nan 0.000 0.450 737 Q N -0.528 119.312 119.800 0.067 0.000 2.030 737 Q HA -0.185 4.153 4.340 -0.003 0.000 0.204 737 Q C 2.262 178.255 176.000 -0.011 0.000 0.986 737 Q CA 2.303 58.124 55.803 0.030 0.000 0.843 737 Q CB -0.302 28.449 28.738 0.022 0.000 0.904 737 Q HN 0.541 nan 8.270 nan 0.000 0.420 738 V N 0.621 120.482 119.914 -0.087 0.000 2.469 738 V HA -0.273 3.845 4.120 -0.003 0.000 0.251 738 V C 2.033 178.055 176.094 -0.119 0.000 1.064 738 V CA 1.565 63.746 62.300 -0.198 0.000 1.066 738 V CB -0.507 30.969 31.823 -0.578 0.000 0.667 738 V HN 0.392 nan 8.190 nan 0.000 0.461 739 I N -0.330 120.240 120.570 0.001 0.000 2.286 739 I HA -0.153 4.015 4.170 -0.003 0.000 0.245 739 I C 2.330 178.501 176.117 0.089 0.000 1.104 739 I CA 1.331 62.710 61.300 0.132 0.000 1.397 739 I CB -0.416 37.725 38.000 0.235 0.000 1.072 739 I HN 0.311 nan 8.210 nan 0.000 0.417 740 D N 0.876 121.322 120.400 0.076 0.000 2.097 740 D HA -0.180 4.458 4.640 -0.003 0.000 0.195 740 D C 2.340 178.647 176.300 0.011 0.000 0.989 740 D CA 1.473 55.508 54.000 0.058 0.000 0.827 740 D CB -0.192 40.644 40.800 0.059 0.000 0.966 740 D HN 0.291 nan 8.370 nan 0.000 0.456 741 M N 0.250 119.842 119.600 -0.013 0.000 2.080 741 M HA -0.157 4.321 4.480 -0.003 0.000 0.260 741 M C 2.441 178.689 176.300 -0.087 0.000 1.068 741 M CA 1.294 56.571 55.300 -0.037 0.000 1.109 741 M CB -0.442 32.138 32.600 -0.033 0.000 1.342 741 M HN -0.008 nan 8.290 nan 0.000 0.405 742 L N -0.408 120.713 121.223 -0.170 0.000 2.291 742 L HA -0.170 4.168 4.340 -0.003 0.000 0.214 742 L C 2.480 179.169 176.870 -0.302 0.000 1.120 742 L CA 0.930 55.566 54.840 -0.341 0.000 0.799 742 L CB -0.526 41.099 42.059 -0.723 0.000 0.925 742 L HN 0.429 nan 8.230 nan 0.000 0.446 743 Q N -0.137 119.585 119.800 -0.130 0.000 2.269 743 Q HA -0.175 4.163 4.340 -0.003 0.000 0.201 743 Q C 2.047 178.049 176.000 0.004 0.000 0.946 743 Q CA 0.724 56.526 55.803 -0.001 0.000 0.877 743 Q CB 0.087 28.894 28.738 0.115 0.000 0.963 743 Q HN 0.380 nan 8.270 nan 0.000 0.472 744 K N 0.873 121.264 120.400 -0.014 0.000 2.057 744 K HA -0.136 4.182 4.320 -0.003 0.000 0.207 744 K C 1.922 178.507 176.600 -0.024 0.000 1.049 744 K CA 1.124 57.405 56.287 -0.011 0.000 0.931 744 K CB 0.098 32.593 32.500 -0.009 0.000 0.714 744 K HN -0.009 nan 8.250 nan 0.000 0.440 745 V N 0.958 120.845 119.914 -0.044 0.000 2.295 745 V HA -0.247 3.871 4.120 -0.003 0.000 0.246 745 V C 2.180 178.259 176.094 -0.025 0.000 1.049 745 V CA 2.321 64.596 62.300 -0.042 0.000 1.024 745 V CB -0.907 30.875 31.823 -0.067 0.000 0.648 745 V HN 0.446 nan 8.190 nan 0.000 0.447 746 T N 0.663 115.204 114.554 -0.023 0.000 2.665 746 T HA -0.210 4.138 4.350 -0.003 0.000 0.268 746 T C 1.814 176.531 174.700 0.027 0.000 1.035 746 T CA 2.226 64.345 62.100 0.031 0.000 1.151 746 T CB -0.354 68.567 68.868 0.088 0.000 0.862 746 T HN 0.351 nan 8.240 nan 0.000 0.438 747 I N 1.158 121.725 120.570 -0.005 0.000 2.233 747 I HA -0.093 4.075 4.170 -0.003 0.000 0.243 747 I C 2.197 178.284 176.117 -0.050 0.000 1.093 747 I CA 1.102 62.359 61.300 -0.071 0.000 1.380 747 I CB -0.333 37.591 38.000 -0.127 0.000 1.067 747 I HN 0.053 nan 8.210 nan 0.000 0.413 748 D N 0.581 120.963 120.400 -0.031 0.000 2.221 748 D HA -0.136 4.502 4.640 -0.003 0.000 0.204 748 D C 2.160 178.453 176.300 -0.012 0.000 0.982 748 D CA 1.144 55.131 54.000 -0.022 0.000 0.857 748 D CB -0.008 40.782 40.800 -0.017 0.000 0.934 748 D HN 0.249 nan 8.370 nan 0.000 0.475 749 I N 0.767 121.334 120.570 -0.004 0.000 2.480 749 I HA -0.131 4.037 4.170 -0.003 0.000 0.251 749 I C 2.289 178.414 176.117 0.013 0.000 1.124 749 I CA 0.554 61.860 61.300 0.009 0.000 1.444 749 I CB -0.534 37.478 38.000 0.021 0.000 1.098 749 I HN 0.012 nan 8.210 nan 0.000 0.428 750 K N 1.974 122.381 120.400 0.011 0.000 2.147 750 K HA -0.154 4.164 4.320 -0.003 0.000 0.205 750 K C 1.783 178.386 176.600 0.005 0.000 1.049 750 K CA 1.948 58.246 56.287 0.018 0.000 0.936 750 K CB -0.254 32.256 32.500 0.016 0.000 0.722 750 K HN 0.349 nan 8.250 nan 0.000 0.446 751 S N 0.521 116.214 115.700 -0.012 0.000 2.603 751 S HA 0.006 4.474 4.470 -0.003 0.000 0.229 751 S C 1.715 176.313 174.600 -0.004 0.000 0.972 751 S CA 0.189 58.382 58.200 -0.012 0.000 0.935 751 S CB -0.354 62.833 63.200 -0.022 0.000 0.769 751 S HN 0.343 nan 8.310 nan 0.000 0.536 752 L N 1.070 122.293 121.223 0.001 0.000 2.592 752 L HA 0.341 4.679 4.340 -0.003 0.000 0.227 752 L C 0.903 177.773 176.870 0.000 0.000 1.127 752 L CA 0.088 54.928 54.840 0.000 0.000 0.884 752 L CB 0.301 42.361 42.059 0.002 0.000 1.065 752 L HN 0.431 nan 8.230 nan 0.000 0.457 753 S N -0.416 115.287 115.700 0.004 0.000 2.742 753 S HA 0.256 4.724 4.470 -0.003 0.000 0.159 753 S C 0.202 174.811 174.600 0.015 0.000 0.676 753 S CA -0.092 58.109 58.200 0.002 0.000 0.897 753 S CB 0.276 63.474 63.200 -0.003 0.000 1.530 753 S HN 0.153 nan 8.310 nan 0.000 0.465 754 A N 2.107 124.937 122.820 0.016 0.000 2.276 754 A HA 0.391 4.709 4.320 -0.003 0.000 0.212 754 A C 1.276 178.881 177.584 0.035 0.000 1.230 754 A CA 0.513 52.568 52.037 0.029 0.000 0.844 754 A CB -0.038 18.977 19.000 0.026 0.000 0.860 754 A HN 0.689 nan 8.150 nan 0.000 0.486 755 E N -0.927 119.289 120.200 0.026 0.000 2.629 755 E HA 0.065 4.413 4.350 -0.003 0.000 0.203 755 E C -0.796 175.815 176.600 0.018 0.000 0.939 755 E CA 0.135 56.554 56.400 0.032 0.000 1.439 755 E CB 0.536 30.248 29.700 0.019 0.000 1.490 755 E HN 0.176 nan 8.360 nan 0.000 0.804 756 K N 1.171 121.557 120.400 -0.023 0.000 2.450 756 K HA 0.203 4.521 4.320 -0.003 0.000 0.257 756 K C -0.700 175.833 176.600 -0.112 0.000 0.953 756 K CA -0.758 55.447 56.287 -0.138 0.000 0.844 756 K CB 0.751 33.140 32.500 -0.185 0.000 1.103 756 K HN 0.087 nan 8.250 nan 0.000 0.429 757 Y N 0.339 120.637 120.300 -0.003 0.000 2.518 757 Y HA 0.282 4.830 4.550 -0.004 0.000 0.337 757 Y C -0.357 175.540 175.900 -0.006 0.000 1.261 757 Y CA -0.435 57.662 58.100 -0.005 0.000 1.856 757 Y CB 0.079 38.532 38.460 -0.011 0.000 1.798 757 Y HN 0.210 nan 8.280 nan 0.000 0.440 758 D N 2.773 123.163 120.400 -0.016 0.000 2.386 758 D HA 0.146 4.784 4.640 -0.003 0.000 0.247 758 D C -0.865 175.434 176.300 -0.001 0.000 1.336 758 D CA -0.435 53.546 54.000 -0.033 0.000 0.976 758 D CB 1.999 42.733 40.800 -0.110 0.000 1.257 758 D HN 0.314 nan 8.370 nan 0.000 0.570 759 V N 2.812 122.738 119.914 0.020 0.000 2.070 759 V HA 0.006 4.124 4.120 -0.003 0.000 0.239 759 V C 0.970 177.066 176.094 0.003 0.000 1.472 759 V CA -0.178 62.131 62.300 0.015 0.000 1.453 759 V CB -0.799 31.033 31.823 0.016 0.000 1.503 759 V HN 0.442 nan 8.190 nan 0.000 0.501 760 S N 2.778 118.476 115.700 -0.004 0.000 2.817 760 S HA -0.121 4.347 4.470 -0.003 0.000 0.333 760 S C 1.810 176.408 174.600 -0.004 0.000 1.227 760 S CA 0.641 58.836 58.200 -0.008 0.000 1.027 760 S CB 0.471 63.666 63.200 -0.010 0.000 0.732 760 S HN 1.098 nan 8.310 nan 0.000 0.499 761 S N 3.131 118.828 115.700 -0.005 0.000 2.402 761 S HA -0.295 4.173 4.470 -0.003 0.000 0.233 761 S C 1.710 176.309 174.600 -0.003 0.000 1.030 761 S CA 1.593 59.790 58.200 -0.004 0.000 1.003 761 S CB -0.449 62.749 63.200 -0.004 0.000 0.813 761 S HN 0.897 nan 8.310 nan 0.000 0.477 762 Q N 0.042 119.840 119.800 -0.003 0.000 2.269 762 Q HA 0.186 4.524 4.340 -0.003 0.000 0.201 762 Q C 2.121 178.121 176.000 -0.001 0.000 0.946 762 Q CA 1.030 56.831 55.803 -0.002 0.000 0.877 762 Q CB -0.621 28.115 28.738 -0.003 0.000 0.963 762 Q HN 0.413 nan 8.270 nan 0.000 0.472 763 V N 1.105 121.019 119.914 -0.000 0.000 2.490 763 V HA -0.207 3.911 4.120 -0.003 0.000 0.250 763 V C 2.026 178.123 176.094 0.006 0.000 1.061 763 V CA 1.364 63.666 62.300 0.003 0.000 1.064 763 V CB -0.275 31.551 31.823 0.005 0.000 0.670 763 V HN 0.430 nan 8.190 nan 0.000 0.461 764 I N -0.878 119.694 120.570 0.004 0.000 2.286 764 I HA -0.161 4.007 4.170 -0.003 0.000 0.245 764 I C 2.630 178.750 176.117 0.004 0.000 1.104 764 I CA 1.735 63.038 61.300 0.005 0.000 1.397 764 I CB -0.218 37.783 38.000 0.000 0.000 1.072 764 I HN 0.304 nan 8.210 nan 0.000 0.417 765 S N -0.220 115.481 115.700 0.002 0.000 2.387 765 S HA -0.176 4.292 4.470 -0.003 0.000 0.226 765 S C 2.021 176.622 174.600 0.002 0.000 1.026 765 S CA 1.010 59.211 58.200 0.002 0.000 0.972 765 S CB -0.097 63.103 63.200 0.001 0.000 0.814 765 S HN 0.325 nan 8.310 nan 0.000 0.477 766 Q N 0.909 120.711 119.800 0.002 0.000 2.061 766 Q HA -0.099 4.239 4.340 -0.003 0.000 0.204 766 Q C 2.137 178.138 176.000 0.002 0.000 0.984 766 Q CA 1.190 56.994 55.803 0.001 0.000 0.846 766 Q CB -0.682 28.056 28.738 0.001 0.000 0.902 766 Q HN 0.476 nan 8.270 nan 0.000 0.421 767 L N 0.884 122.110 121.223 0.004 0.000 2.005 767 L HA -0.165 4.173 4.340 -0.003 0.000 0.207 767 L C 1.898 178.769 176.870 0.001 0.000 1.072 767 L CA 1.783 56.626 54.840 0.005 0.000 0.744 767 L CB -0.565 41.503 42.059 0.015 0.000 0.895 767 L HN 0.185 nan 8.230 nan 0.000 0.433 768 K N -0.547 119.855 120.400 0.003 0.000 2.360 768 K HA -0.242 4.076 4.320 -0.003 0.000 0.201 768 K C 1.938 178.537 176.600 -0.001 0.000 1.046 768 K CA 1.193 57.480 56.287 0.001 0.000 0.940 768 K CB 0.089 32.591 32.500 0.003 0.000 0.748 768 K HN 0.316 nan 8.250 nan 0.000 0.465 769 Q N 1.338 121.138 119.800 -0.001 0.000 2.089 769 Q HA -0.028 4.310 4.340 -0.003 0.000 0.195 769 Q C 1.537 177.536 176.000 -0.002 0.000 0.963 769 Q CA 1.529 57.332 55.803 -0.000 0.000 0.834 769 Q CB 0.194 28.933 28.738 0.000 0.000 0.906 769 Q HN 0.033 nan 8.270 nan 0.000 0.452 770 K N 0.140 120.537 120.400 -0.004 0.000 2.147 770 K HA -0.070 4.248 4.320 -0.003 0.000 0.205 770 K C 2.004 178.599 176.600 -0.008 0.000 1.049 770 K CA 1.084 57.367 56.287 -0.007 0.000 0.936 770 K CB -0.169 32.325 32.500 -0.011 0.000 0.722 770 K HN 0.290 nan 8.250 nan 0.000 0.446 771 L N 1.034 122.250 121.223 -0.012 0.000 2.275 771 L HA -0.158 4.180 4.340 -0.003 0.000 0.215 771 L C 2.268 179.136 176.870 -0.003 0.000 1.119 771 L CA 0.951 55.782 54.840 -0.014 0.000 0.790 771 L CB -0.348 41.695 42.059 -0.027 0.000 0.919 771 L HN 0.201 nan 8.230 nan 0.000 0.443 772 E N 0.333 120.533 120.200 0.000 0.000 2.016 772 E HA -0.153 4.195 4.350 -0.003 0.000 0.190 772 E C 1.826 178.432 176.600 0.010 0.000 0.985 772 E CA 1.088 57.492 56.400 0.006 0.000 0.802 772 E CB -0.314 29.389 29.700 0.005 0.000 0.762 772 E HN 0.475 nan 8.360 nan 0.000 0.448 773 N N 1.335 120.040 118.700 0.007 0.000 2.060 773 N HA -0.182 4.556 4.740 -0.003 0.000 0.195 773 N C 2.029 177.547 175.510 0.013 0.000 1.028 773 N CA 1.113 54.168 53.050 0.009 0.000 0.861 773 N CB -0.500 37.990 38.487 0.005 0.000 1.029 773 N HN 0.119 nan 8.380 nan 0.000 0.428 774 L N -0.002 121.227 121.223 0.011 0.000 2.044 774 L HA -0.123 4.215 4.340 -0.003 0.000 0.205 774 L C 2.381 179.270 176.870 0.031 0.000 1.075 774 L CA 1.004 55.854 54.840 0.017 0.000 0.747 774 L CB -0.457 41.607 42.059 0.008 0.000 0.903 774 L HN 0.202 nan 8.230 nan 0.000 0.435 775 Q N 0.292 120.113 119.800 0.034 0.000 2.364 775 Q HA -0.187 4.151 4.340 -0.003 0.000 0.209 775 Q C 1.788 177.815 176.000 0.045 0.000 0.977 775 Q CA 0.930 56.763 55.803 0.049 0.000 0.885 775 Q CB -0.005 28.758 28.738 0.042 0.000 0.941 775 Q HN 0.374 nan 8.270 nan 0.000 0.464 776 N N -0.231 118.489 118.700 0.034 0.000 2.003 776 N HA -0.145 4.593 4.740 -0.003 0.000 0.195 776 N C 0.225 175.756 175.510 0.036 0.000 1.083 776 N CA 1.382 54.450 53.050 0.031 0.000 0.875 776 N CB -0.112 38.389 38.487 0.024 0.000 1.067 776 N HN 0.275 nan 8.380 nan 0.000 0.428 777 L N 0.115 121.359 121.223 0.034 0.000 3.358 777 L HA 0.295 4.632 4.340 -0.003 0.000 0.301 777 L C 0.446 177.339 176.870 0.038 0.000 1.276 777 L CA 0.039 54.901 54.840 0.036 0.000 1.028 777 L CB 0.274 42.350 42.059 0.029 0.000 1.421 777 L HN 0.113 nan 8.230 nan 0.000 0.604 778 N N -0.535 118.189 118.700 0.040 0.000 2.652 778 N HA 0.162 4.900 4.740 -0.003 0.000 0.226 778 N C 0.264 175.802 175.510 0.047 0.000 1.023 778 N CA -0.064 53.009 53.050 0.038 0.000 1.126 778 N CB 0.206 38.710 38.487 0.029 0.000 1.476 778 N HN 0.046 nan 8.380 nan 0.000 0.537 779 L N 3.210 124.463 121.223 0.051 0.000 2.601 779 L HA 0.130 4.468 4.340 -0.003 0.000 0.277 779 L C -2.186 174.738 176.870 0.091 0.000 1.219 779 L CA -0.800 54.079 54.840 0.065 0.000 0.915 779 L CB -0.153 41.955 42.059 0.082 0.000 1.160 779 L HN 0.243 nan 8.230 nan 0.000 0.494 780 P HA 0.001 nan 4.420 nan 0.000 0.264 780 P C 0.028 177.427 177.300 0.165 0.000 1.193 780 P CA 0.082 63.252 63.100 0.117 0.000 0.763 780 P CB 0.445 32.209 31.700 0.107 0.000 0.810 781 Q N 0.954 120.834 119.800 0.134 0.000 2.248 781 Q HA -0.124 4.214 4.340 -0.003 0.000 0.208 781 Q C 0.759 176.845 176.000 0.142 0.000 0.984 781 Q CA 1.375 57.255 55.803 0.128 0.000 0.875 781 Q CB -0.086 28.704 28.738 0.087 0.000 0.910 781 Q HN 0.673 nan 8.270 nan 0.000 0.433 782 S N -1.263 114.527 115.700 0.150 0.000 2.819 782 S HA 0.736 5.204 4.470 -0.003 0.000 0.299 782 S C -1.150 173.574 174.600 0.206 0.000 1.192 782 S CA -0.958 57.287 58.200 0.075 0.000 0.847 782 S CB 1.669 64.856 63.200 -0.021 0.000 1.224 782 S HN 0.358 nan 8.310 nan 0.000 0.537 783 F N -2.300 117.579 119.950 -0.118 0.000 2.690 783 F HA 0.476 5.000 4.527 -0.004 0.000 0.314 783 F C -1.129 174.554 175.800 -0.195 0.000 1.057 783 F CA -1.249 56.662 58.000 -0.148 0.000 0.998 783 F CB 0.419 39.342 39.000 -0.129 0.000 1.249 783 F HN 0.743 nan 8.300 nan 0.000 0.486 784 R N 1.891 122.385 120.500 -0.011 0.000 2.643 784 R HA 0.535 4.873 4.340 -0.003 0.000 0.270 784 R C -0.806 175.467 176.300 -0.045 0.000 1.061 784 R CA -0.763 55.241 56.100 -0.160 0.000 1.107 784 R CB 1.066 31.233 30.300 -0.222 0.000 0.999 784 R HN 0.524 nan 8.270 nan 0.000 0.460 785 V N 5.121 124.866 119.914 -0.282 0.000 2.408 785 V HA 0.057 4.175 4.120 -0.003 0.000 0.267 785 V C -1.472 174.363 176.094 -0.432 0.000 1.047 785 V CA -1.366 60.708 62.300 -0.377 0.000 0.937 785 V CB 1.298 32.752 31.823 -0.615 0.000 0.999 785 V HN 0.664 nan 8.190 nan 0.000 0.472 786 P HA -0.168 nan 4.420 nan 0.000 0.217 786 P C 0.931 178.090 177.300 -0.235 0.000 1.148 786 P CA 1.481 64.378 63.100 -0.338 0.000 0.828 786 P CB -0.014 31.103 31.700 -0.972 0.000 0.783 787 Y N -2.900 117.334 120.300 -0.110 0.000 2.457 787 Y HA 0.427 4.975 4.550 -0.003 0.000 0.263 787 Y C 0.129 176.125 175.900 0.160 0.000 1.164 787 Y CA -0.604 57.544 58.100 0.079 0.000 1.274 787 Y CB -0.505 37.983 38.460 0.046 0.000 1.097 787 Y HN -0.184 nan 8.280 nan 0.000 0.523 788 D N 1.525 121.872 120.400 -0.088 0.000 2.823 788 D HA 0.190 4.828 4.640 -0.003 0.000 0.255 788 D C -2.234 173.947 176.300 -0.198 0.000 1.257 788 D CA -2.239 51.781 54.000 0.033 0.000 0.803 788 D CB 1.085 41.950 40.800 0.109 0.000 1.384 788 D HN -0.056 nan 8.370 nan 0.000 0.541 789 P HA -0.099 nan 4.420 nan 0.000 0.218 789 P C 1.299 178.394 177.300 -0.340 0.000 1.146 789 P CA 0.920 63.684 63.100 -0.561 0.000 0.820 789 P CB 0.132 31.275 31.700 -0.929 0.000 0.778 790 G N -0.777 107.915 108.800 -0.180 0.000 3.061 790 G HA2 0.133 4.091 3.960 -0.003 0.000 0.208 790 G HA3 0.133 4.091 3.960 -0.003 0.000 0.208 790 G C 0.408 175.215 174.900 -0.155 0.000 1.175 790 G CA -0.094 44.932 45.100 -0.124 0.000 0.812 790 G HN 0.243 nan 8.290 nan 0.000 0.523 791 L N 0.322 121.428 121.223 -0.195 0.000 2.365 791 L HA 0.495 4.833 4.340 -0.003 0.000 0.273 791 L C -0.663 176.036 176.870 -0.285 0.000 1.000 791 L CA -0.920 53.796 54.840 -0.207 0.000 0.819 791 L CB 2.459 44.411 42.059 -0.178 0.000 1.284 791 L HN -0.177 nan 8.230 nan 0.000 0.418 792 K N 2.956 123.187 120.400 -0.282 0.000 2.367 792 K HA 0.521 4.839 4.320 -0.003 0.000 0.263 792 K C -0.655 175.672 176.600 -0.455 0.000 1.000 792 K CA -0.407 55.670 56.287 -0.350 0.000 0.891 792 K CB 1.871 34.226 32.500 -0.242 0.000 1.117 792 K HN 0.679 nan 8.250 nan 0.000 0.443 793 A N 2.983 125.304 122.820 -0.832 0.000 2.401 793 A HA 0.526 4.844 4.320 -0.003 0.000 0.259 793 A C 0.716 177.957 177.584 -0.572 0.000 1.103 793 A CA 0.189 51.643 52.037 -0.972 0.000 0.789 793 A CB 0.595 18.279 19.000 -2.194 0.000 1.035 793 A HN 0.810 nan 8.150 nan 0.000 0.491 794 G N 0.469 109.145 108.800 -0.207 0.000 3.329 794 G HA2 0.573 4.531 3.960 -0.003 0.000 0.180 794 G HA3 0.573 4.531 3.960 -0.003 0.000 0.180 794 G C 0.521 175.532 174.900 0.184 0.000 1.640 794 G CA 0.204 45.294 45.100 -0.015 0.000 1.018 794 G HN 1.331 nan 8.290 nan 0.000 0.581 795 A N -1.141 121.789 122.820 0.183 0.000 2.257 795 A HA 0.674 4.992 4.320 -0.003 0.000 0.289 795 A C -0.230 177.499 177.584 0.242 0.000 1.095 795 A CA -0.456 51.713 52.037 0.220 0.000 0.836 795 A CB 0.303 19.373 19.000 0.117 0.000 1.111 795 A HN 0.450 nan 8.150 nan 0.000 0.497 796 L N 0.638 121.923 121.223 0.103 0.000 2.326 796 L HA 0.290 4.628 4.340 -0.003 0.000 0.278 796 L C -0.519 176.285 176.870 -0.109 0.000 1.092 796 L CA -0.516 54.202 54.840 -0.204 0.000 0.810 796 L CB 1.534 43.457 42.059 -0.227 0.000 1.153 796 L HN 0.426 nan 8.230 nan 0.000 0.439 797 V N 5.339 125.173 119.914 -0.134 0.000 2.221 797 V HA 0.038 4.156 4.120 -0.003 0.000 0.258 797 V C 1.231 177.297 176.094 -0.046 0.000 1.179 797 V CA -0.252 62.021 62.300 -0.045 0.000 1.022 797 V CB 0.142 31.959 31.823 -0.009 0.000 1.228 797 V HN 0.654 nan 8.190 nan 0.000 0.487 798 I N 2.283 122.829 120.570 -0.040 0.000 2.236 798 I HA -0.268 3.900 4.170 -0.003 0.000 0.249 798 I C 2.217 178.333 176.117 -0.001 0.000 1.102 798 I CA 1.590 62.874 61.300 -0.027 0.000 1.365 798 I CB -0.384 37.607 38.000 -0.016 0.000 1.051 798 I HN 0.519 nan 8.210 nan 0.000 0.420 799 E N 0.806 121.011 120.200 0.008 0.000 2.085 799 E HA -0.214 4.134 4.350 -0.003 0.000 0.194 799 E C 1.945 178.563 176.600 0.029 0.000 0.994 799 E CA 1.316 57.726 56.400 0.017 0.000 0.801 799 E CB -0.339 29.372 29.700 0.018 0.000 0.743 799 E HN 0.463 nan 8.360 nan 0.000 0.453 800 K N -0.116 120.313 120.400 0.050 0.000 2.487 800 K HA 0.104 4.422 4.320 -0.003 0.000 0.192 800 K C -0.065 176.625 176.600 0.150 0.000 1.027 800 K CA 0.006 56.350 56.287 0.094 0.000 1.054 800 K CB 0.039 32.622 32.500 0.138 0.000 0.824 800 K HN 0.125 nan 8.250 nan 0.000 0.510 801 C N 2.675 122.040 119.300 0.109 0.000 2.536 801 C HA 0.277 4.735 4.460 -0.003 0.000 0.396 801 C C 0.496 175.549 174.990 0.106 0.000 1.279 801 C CA -0.641 58.467 59.018 0.150 0.000 2.148 801 C CB -0.373 27.400 27.740 0.055 0.000 2.584 801 C HN 0.494 nan 8.230 nan 0.000 0.579 802 K N 0.550 121.040 120.400 0.149 0.000 2.556 802 K HA 0.749 5.066 4.320 -0.003 0.000 0.289 802 K C -2.102 174.563 176.600 0.107 0.000 1.040 802 K CA -0.765 55.561 56.287 0.065 0.000 0.894 802 K CB 1.100 33.572 32.500 -0.047 0.000 1.547 802 K HN 0.204 nan 8.250 nan 0.000 0.417 803 V N 2.240 122.190 119.914 0.060 0.000 2.334 803 V HA 0.289 4.407 4.120 -0.003 0.000 0.281 803 V C -0.101 176.028 176.094 0.059 0.000 1.016 803 V CA -0.738 61.610 62.300 0.080 0.000 0.832 803 V CB 1.139 32.997 31.823 0.058 0.000 0.999 803 V HN 0.701 nan 8.190 nan 0.000 0.439 804 M N 3.557 123.212 119.600 0.093 0.000 2.245 804 M HA 0.102 4.580 4.480 -0.003 0.000 0.335 804 M C 1.027 177.348 176.300 0.035 0.000 1.155 804 M CA 0.386 55.717 55.300 0.052 0.000 1.055 804 M CB 0.515 33.176 32.600 0.102 0.000 1.670 804 M HN 0.730 nan 8.290 nan 0.000 0.447 805 A N 3.106 125.930 122.820 0.007 0.000 3.029 805 A HA 0.240 4.558 4.320 -0.003 0.000 0.251 805 A C 0.288 177.884 177.584 0.021 0.000 1.749 805 A CA 0.055 52.106 52.037 0.024 0.000 1.386 805 A CB -0.526 18.480 19.000 0.010 0.000 1.043 805 A HN 0.681 nan 8.150 nan 0.000 0.638 806 S N -0.624 115.097 115.700 0.036 0.000 2.578 806 S HA 0.470 4.938 4.470 -0.003 0.000 0.301 806 S C 0.983 175.614 174.600 0.053 0.000 1.091 806 S CA -0.694 57.521 58.200 0.024 0.000 1.032 806 S CB 1.016 64.230 63.200 0.025 0.000 1.064 806 S HN 0.409 nan 8.310 nan 0.000 0.508 807 K N 2.671 123.095 120.400 0.041 0.000 2.160 807 K HA -0.040 4.278 4.320 -0.003 0.000 0.206 807 K C 1.440 178.083 176.600 0.072 0.000 1.047 807 K CA 1.631 57.959 56.287 0.068 0.000 0.930 807 K CB -0.107 32.420 32.500 0.046 0.000 0.720 807 K HN 0.528 nan 8.250 nan 0.000 0.450 808 K N 0.573 121.012 120.400 0.065 0.000 2.459 808 K HA 0.089 4.407 4.320 -0.003 0.000 0.193 808 K C -0.431 176.226 176.600 0.095 0.000 1.030 808 K CA 0.039 56.376 56.287 0.083 0.000 1.026 808 K CB 0.322 32.870 32.500 0.080 0.000 0.809 808 K HN -0.040 nan 8.250 nan 0.000 0.504 809 K N 0.170 120.621 120.400 0.085 0.000 3.150 809 K HA -0.112 4.206 4.320 -0.003 0.000 0.267 809 K C -2.815 173.850 176.600 0.110 0.000 1.028 809 K CA 0.358 56.697 56.287 0.088 0.000 0.753 809 K CB -2.130 30.415 32.500 0.075 0.000 1.288 809 K HN 0.242 nan 8.250 nan 0.000 0.473 810 P HA 0.094 nan 4.420 nan 0.000 0.269 810 P C 0.750 178.161 177.300 0.185 0.000 1.215 810 P CA -0.292 62.904 63.100 0.159 0.000 0.780 810 P CB 0.613 32.404 31.700 0.153 0.000 0.898 811 L N 1.866 123.218 121.223 0.216 0.000 2.375 811 L HA 0.356 4.694 4.340 -0.003 0.000 0.271 811 L C 0.137 177.200 176.870 0.322 0.000 1.107 811 L CA -0.278 54.701 54.840 0.230 0.000 0.806 811 L CB 0.672 42.846 42.059 0.191 0.000 1.146 811 L HN 0.461 nan 8.230 nan 0.000 0.447 812 W N 5.585 126.949 121.300 0.106 0.000 2.362 812 W HA 0.535 5.193 4.660 -0.003 0.000 0.316 812 W C -2.084 174.493 176.519 0.097 0.000 1.024 812 W CA -0.715 56.696 57.345 0.110 0.000 1.270 812 W CB 1.063 30.565 29.460 0.070 0.000 1.273 812 W HN 0.318 nan 8.180 nan 0.000 0.424 813 L N 5.212 126.482 121.223 0.078 0.000 2.346 813 L HA 0.484 4.822 4.340 -0.003 0.000 0.274 813 L C 0.101 176.924 176.870 -0.079 0.000 1.007 813 L CA -0.762 54.092 54.840 0.023 0.000 0.818 813 L CB 2.351 44.441 42.059 0.052 0.000 1.284 813 L HN 0.297 nan 8.230 nan 0.000 0.424 814 E N 1.785 121.891 120.200 -0.157 0.000 2.212 814 E HA 0.647 4.995 4.350 -0.003 0.000 0.268 814 E C -1.628 174.812 176.600 -0.266 0.000 0.902 814 E CA -0.570 55.790 56.400 -0.067 0.000 0.779 814 E CB 2.465 32.206 29.700 0.067 0.000 1.172 814 E HN 0.218 nan 8.360 nan 0.000 0.409 815 F N 0.659 120.644 119.950 0.058 0.000 2.613 815 F HA 0.424 4.949 4.527 -0.003 0.000 0.314 815 F C 0.146 175.946 175.800 -0.001 0.000 1.075 815 F CA -1.030 56.993 58.000 0.038 0.000 0.945 815 F CB 1.356 40.363 39.000 0.011 0.000 1.310 815 F HN 0.100 nan 8.300 nan 0.000 0.467 816 K N 0.211 120.734 120.400 0.205 0.000 2.098 816 K HA 0.472 4.790 4.320 -0.003 0.000 0.257 816 K C -0.759 175.862 176.600 0.035 0.000 0.999 816 K CA -0.600 55.742 56.287 0.091 0.000 0.924 816 K CB 1.251 33.787 32.500 0.061 0.000 1.028 816 K HN 0.698 nan 8.250 nan 0.000 0.466 817 C N 1.447 120.743 119.300 -0.006 0.000 2.527 817 C HA 0.437 4.895 4.460 -0.003 0.000 0.396 817 C C 1.342 176.295 174.990 -0.063 0.000 1.289 817 C CA -0.399 58.580 59.018 -0.065 0.000 2.047 817 C CB -0.515 27.190 27.740 -0.058 0.000 2.568 817 C HN 0.868 nan 8.230 nan 0.000 0.573 818 A N 3.381 126.140 122.820 -0.102 0.000 2.259 818 A HA 0.176 4.494 4.320 -0.003 0.000 0.208 818 A C 0.499 178.041 177.584 -0.070 0.000 1.201 818 A CA 0.497 52.487 52.037 -0.079 0.000 0.824 818 A CB -0.389 18.548 19.000 -0.105 0.000 0.838 818 A HN 0.911 nan 8.150 nan 0.000 0.485 819 D N -0.585 119.769 120.400 -0.076 0.000 2.441 819 D HA 0.388 5.026 4.640 -0.003 0.000 0.231 819 D C -2.011 174.257 176.300 -0.054 0.000 1.073 819 D CA -2.070 51.886 54.000 -0.073 0.000 0.850 819 D CB 1.616 42.355 40.800 -0.102 0.000 1.062 819 D HN -0.083 nan 8.370 nan 0.000 0.524 820 P HA -0.130 nan 4.420 nan 0.000 0.216 820 P C 1.206 178.490 177.300 -0.026 0.000 1.150 820 P CA 1.469 64.556 63.100 -0.022 0.000 0.843 820 P CB 0.062 31.756 31.700 -0.010 0.000 0.787 821 T N -3.306 111.224 114.554 -0.040 0.000 3.155 821 T HA 0.125 4.473 4.350 -0.003 0.000 0.264 821 T C 0.874 175.527 174.700 -0.078 0.000 1.160 821 T CA 0.156 62.227 62.100 -0.050 0.000 1.075 821 T CB -1.026 67.801 68.868 -0.068 0.000 0.921 821 T HN 0.081 nan 8.240 nan 0.000 0.533 822 A N 1.118 123.895 122.820 -0.071 0.000 2.540 822 A HA 0.460 4.778 4.320 -0.003 0.000 0.239 822 A C 0.566 178.112 177.584 -0.064 0.000 1.061 822 A CA -0.407 51.586 52.037 -0.073 0.000 0.758 822 A CB -0.174 18.794 19.000 -0.054 0.000 0.991 822 A HN 0.456 nan 8.150 nan 0.000 0.502 823 L N 2.984 124.155 121.223 -0.086 0.000 2.934 823 L HA 0.341 4.679 4.340 -0.003 0.000 0.233 823 L C 0.697 177.534 176.870 -0.055 0.000 1.358 823 L CA 1.068 55.850 54.840 -0.097 0.000 1.233 823 L CB -0.965 40.961 42.059 -0.221 0.000 1.594 823 L HN 0.841 nan 8.230 nan 0.000 0.439 824 S N -0.791 114.894 115.700 -0.025 0.000 2.683 824 S HA 0.181 4.649 4.470 -0.003 0.000 0.264 824 S C -0.225 174.379 174.600 0.005 0.000 1.066 824 S CA -0.612 57.586 58.200 -0.004 0.000 0.846 824 S CB 0.436 63.639 63.200 0.006 0.000 1.114 824 S HN 0.307 nan 8.310 nan 0.000 0.476 825 N N 0.068 118.778 118.700 0.017 0.000 2.171 825 N HA 0.177 4.915 4.740 -0.003 0.000 0.212 825 N C -0.456 175.074 175.510 0.034 0.000 1.184 825 N CA -0.093 52.971 53.050 0.023 0.000 0.888 825 N CB 0.259 38.761 38.487 0.025 0.000 1.038 825 N HN 0.594 nan 8.380 nan 0.000 0.517 826 E N 1.582 121.804 120.200 0.038 0.000 2.442 826 E HA -0.048 4.300 4.350 -0.003 0.000 0.262 826 E C 0.186 176.819 176.600 0.055 0.000 1.004 826 E CA 0.476 56.907 56.400 0.052 0.000 0.928 826 E CB 0.793 30.525 29.700 0.054 0.000 0.937 826 E HN 0.266 nan 8.360 nan 0.000 0.446 827 T N 0.229 114.826 114.554 0.072 0.000 2.881 827 T HA 0.496 4.844 4.350 -0.003 0.000 0.278 827 T C 0.294 175.047 174.700 0.088 0.000 0.982 827 T CA -0.740 61.410 62.100 0.085 0.000 0.989 827 T CB 0.644 69.574 68.868 0.103 0.000 1.058 827 T HN 0.271 nan 8.240 nan 0.000 0.529 828 I N 1.012 121.651 120.570 0.115 0.000 2.336 828 I HA 0.532 4.700 4.170 -0.003 0.000 0.292 828 I C 0.781 177.007 176.117 0.182 0.000 0.991 828 I CA -0.635 60.732 61.300 0.112 0.000 1.227 828 I CB 1.387 39.410 38.000 0.038 0.000 1.366 828 I HN 0.915 nan 8.210 nan 0.000 0.466 829 G N 7.505 116.364 108.800 0.097 0.000 2.416 829 G HA2 0.784 4.742 3.960 -0.003 0.000 0.324 829 G HA3 0.784 4.742 3.960 -0.003 0.000 0.324 829 G C -0.764 174.148 174.900 0.021 0.000 1.194 829 G CA -0.389 44.699 45.100 -0.020 0.000 0.922 829 G HN 0.475 nan 8.290 nan 0.000 0.467 830 I N 2.065 122.682 120.570 0.080 0.000 2.619 830 I HA 0.408 4.576 4.170 -0.003 0.000 0.292 830 I C -0.752 175.427 176.117 0.103 0.000 1.100 830 I CA -0.781 60.609 61.300 0.150 0.000 1.043 830 I CB 2.601 40.821 38.000 0.367 0.000 1.239 830 I HN 0.202 nan 8.210 nan 0.000 0.420 831 I N 4.978 125.554 120.570 0.010 0.000 2.378 831 I HA 0.395 4.562 4.170 -0.003 0.000 0.291 831 I C -1.126 175.053 176.117 0.103 0.000 0.992 831 I CA -0.461 60.902 61.300 0.104 0.000 1.154 831 I CB 1.638 39.656 38.000 0.031 0.000 1.315 831 I HN 0.307 nan 8.210 nan 0.000 0.448 832 F N 5.953 125.959 119.950 0.093 0.000 2.458 832 F HA 0.544 5.069 4.527 -0.004 0.000 0.336 832 F C 0.185 176.043 175.800 0.096 0.000 1.114 832 F CA -0.568 57.487 58.000 0.091 0.000 0.987 832 F CB 1.548 40.604 39.000 0.094 0.000 1.130 832 F HN 0.293 nan 8.300 nan 0.000 0.458 833 K N 1.767 122.320 120.400 0.255 0.000 2.482 833 K HA 0.514 4.831 4.320 -0.003 0.000 0.257 833 K C -1.994 174.718 176.600 0.185 0.000 0.969 833 K CA -0.871 55.533 56.287 0.195 0.000 0.842 833 K CB 1.992 34.567 32.500 0.125 0.000 1.359 833 K HN 0.787 nan 8.250 nan 0.000 0.441 834 H N -0.105 119.026 119.070 0.102 0.000 2.538 834 H HA 0.468 5.022 4.556 -0.004 0.000 0.353 834 H C 0.364 175.732 175.328 0.068 0.000 1.109 834 H CA 0.992 57.091 56.048 0.084 0.000 1.192 834 H CB 2.013 31.822 29.762 0.078 0.000 1.555 834 H HN 0.799 nan 8.280 nan 0.000 0.518 835 G N 3.793 112.355 108.800 -0.397 0.000 2.307 835 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.210 835 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.210 835 G C -0.359 174.493 174.900 -0.079 0.000 1.005 835 G CA 0.054 45.076 45.100 -0.131 0.000 0.634 835 G HN 0.625 nan 8.290 nan 0.000 0.496 836 D N 0.959 121.322 120.400 -0.062 0.000 2.217 836 D HA 0.469 5.107 4.640 -0.003 0.000 0.248 836 D C -0.953 175.327 176.300 -0.033 0.000 1.008 836 D CA -0.357 53.629 54.000 -0.023 0.000 0.914 836 D CB 1.584 42.389 40.800 0.008 0.000 1.182 836 D HN 0.073 nan 8.370 nan 0.000 0.451 837 D N 1.778 122.170 120.400 -0.012 0.000 2.435 837 D HA 0.071 4.709 4.640 -0.003 0.000 0.230 837 D C 0.985 177.288 176.300 0.006 0.000 1.215 837 D CA -0.155 53.838 54.000 -0.012 0.000 0.947 837 D CB 0.236 41.033 40.800 -0.006 0.000 1.048 837 D HN 0.272 nan 8.370 nan 0.000 0.512 838 L N 3.009 124.235 121.223 0.005 0.000 2.622 838 L HA 0.042 4.380 4.340 -0.003 0.000 0.233 838 L C 2.338 179.207 176.870 -0.001 0.000 1.156 838 L CA 0.221 55.073 54.840 0.021 0.000 0.866 838 L CB -0.048 42.025 42.059 0.023 0.000 0.980 838 L HN 0.222 nan 8.230 nan 0.000 0.448 839 R N -0.227 120.261 120.500 -0.021 0.000 2.115 839 R HA -0.126 4.212 4.340 -0.003 0.000 0.226 839 R C 2.179 178.440 176.300 -0.064 0.000 1.100 839 R CA 1.062 57.130 56.100 -0.054 0.000 0.980 839 R CB -0.047 30.216 30.300 -0.062 0.000 0.875 839 R HN 0.423 nan 8.270 nan 0.000 0.445 840 Q N 0.022 119.802 119.800 -0.033 0.000 2.167 840 Q HA -0.147 4.191 4.340 -0.003 0.000 0.202 840 Q C 1.149 177.132 176.000 -0.028 0.000 0.970 840 Q CA 1.528 57.313 55.803 -0.030 0.000 0.855 840 Q CB 0.152 28.894 28.738 0.007 0.000 0.911 840 Q HN 0.263 nan 8.270 nan 0.000 0.438 841 D N -0.305 120.104 120.400 0.015 0.000 2.144 841 D HA -0.106 4.532 4.640 -0.003 0.000 0.200 841 D C 1.634 177.877 176.300 -0.095 0.000 0.978 841 D CA 1.040 55.057 54.000 0.029 0.000 0.833 841 D CB 0.118 41.004 40.800 0.144 0.000 0.961 841 D HN 0.197 nan 8.370 nan 0.000 0.470 842 M N -0.369 119.176 119.600 -0.092 0.000 2.077 842 M HA -0.131 4.347 4.480 -0.003 0.000 0.261 842 M C 1.674 177.852 176.300 -0.203 0.000 1.070 842 M CA 0.756 55.971 55.300 -0.142 0.000 1.125 842 M CB -0.209 32.312 32.600 -0.132 0.000 1.339 842 M HN 0.060 nan 8.290 nan 0.000 0.409 843 L N 0.746 121.853 121.223 -0.193 0.000 1.978 843 L HA -0.272 4.066 4.340 -0.003 0.000 0.218 843 L C 2.415 179.163 176.870 -0.204 0.000 1.075 843 L CA 1.951 56.673 54.840 -0.197 0.000 0.767 843 L CB -1.244 40.716 42.059 -0.164 0.000 0.890 843 L HN 0.285 nan 8.230 nan 0.000 0.434 844 I N -1.193 119.237 120.570 -0.233 0.000 2.127 844 I HA -0.294 3.874 4.170 -0.003 0.000 0.241 844 I C 2.469 178.361 176.117 -0.374 0.000 1.075 844 I CA 1.166 62.267 61.300 -0.331 0.000 1.334 844 I CB -1.067 36.594 38.000 -0.565 0.000 1.040 844 I HN 0.220 nan 8.210 nan 0.000 0.405 845 L N 0.314 121.301 121.223 -0.395 0.000 2.081 845 L HA -0.229 4.109 4.340 -0.003 0.000 0.212 845 L C 2.531 179.244 176.870 -0.262 0.000 1.080 845 L CA 1.698 56.324 54.840 -0.356 0.000 0.754 845 L CB -1.417 40.427 42.059 -0.359 0.000 0.893 845 L HN 0.318 nan 8.230 nan 0.000 0.433 846 Q N -0.783 118.876 119.800 -0.235 0.000 2.137 846 Q HA -0.082 4.256 4.340 -0.003 0.000 0.198 846 Q C 2.136 178.024 176.000 -0.186 0.000 0.960 846 Q CA 1.223 56.899 55.803 -0.211 0.000 0.847 846 Q CB -0.151 28.455 28.738 -0.221 0.000 0.915 846 Q HN 0.359 nan 8.270 nan 0.000 0.448 847 I N -0.206 120.263 120.570 -0.169 0.000 2.286 847 I HA -0.234 3.934 4.170 -0.003 0.000 0.248 847 I C 1.622 177.633 176.117 -0.176 0.000 1.115 847 I CA 0.713 61.932 61.300 -0.135 0.000 1.392 847 I CB -0.416 37.527 38.000 -0.096 0.000 1.065 847 I HN 0.235 nan 8.210 nan 0.000 0.418 848 L N 0.077 121.186 121.223 -0.191 0.000 2.042 848 L HA -0.185 4.152 4.340 -0.003 0.000 0.210 848 L C 2.569 179.324 176.870 -0.191 0.000 1.076 848 L CA 1.746 56.473 54.840 -0.189 0.000 0.749 848 L CB -1.061 40.905 42.059 -0.155 0.000 0.893 848 L HN 0.222 nan 8.230 nan 0.000 0.432 849 R N -0.885 119.513 120.500 -0.170 0.000 2.120 849 R HA -0.100 4.238 4.340 -0.003 0.000 0.234 849 R C 2.279 178.525 176.300 -0.090 0.000 1.123 849 R CA 1.095 57.116 56.100 -0.132 0.000 0.975 849 R CB -0.338 29.856 30.300 -0.177 0.000 0.866 849 R HN 0.333 nan 8.270 nan 0.000 0.446 850 I N 0.435 120.921 120.570 -0.140 0.000 2.315 850 I HA -0.286 3.882 4.170 -0.003 0.000 0.248 850 I C 2.310 178.234 176.117 -0.321 0.000 1.117 850 I CA 1.355 62.550 61.300 -0.176 0.000 1.404 850 I CB -0.087 37.815 38.000 -0.164 0.000 1.071 850 I HN 0.199 nan 8.210 nan 0.000 0.419 851 M N -0.236 119.107 119.600 -0.429 0.000 2.132 851 M HA -0.200 4.278 4.480 -0.003 0.000 0.263 851 M C 2.160 177.895 176.300 -0.942 0.000 1.065 851 M CA 1.643 56.442 55.300 -0.835 0.000 1.122 851 M CB -0.360 31.684 32.600 -0.927 0.000 1.365 851 M HN 0.125 nan 8.290 nan 0.000 0.411 852 E N 0.066 119.996 120.200 -0.451 0.000 2.130 852 E HA -0.211 4.137 4.350 -0.003 0.000 0.196 852 E C 2.061 178.616 176.600 -0.075 0.000 0.998 852 E CA 1.785 58.123 56.400 -0.104 0.000 0.806 852 E CB -0.016 29.678 29.700 -0.009 0.000 0.738 852 E HN 0.525 nan 8.360 nan 0.000 0.459 853 S N 0.144 115.757 115.700 -0.146 0.000 2.436 853 S HA -0.044 4.424 4.470 -0.003 0.000 0.228 853 S C 1.969 176.442 174.600 -0.212 0.000 1.014 853 S CA 0.349 58.460 58.200 -0.149 0.000 0.950 853 S CB -0.203 62.802 63.200 -0.325 0.000 0.784 853 S HN 0.208 nan 8.310 nan 0.000 0.504 854 I N -0.094 120.246 120.570 -0.383 0.000 2.493 854 I HA -0.055 4.113 4.170 -0.003 0.000 0.254 854 I C 1.799 177.756 176.117 -0.268 0.000 1.160 854 I CA 0.830 61.842 61.300 -0.480 0.000 1.445 854 I CB -0.178 37.351 38.000 -0.784 0.000 1.086 854 I HN 0.420 nan 8.210 nan 0.000 0.433 855 W N 0.687 121.925 121.300 -0.103 0.000 2.905 855 W HA 0.013 4.671 4.660 -0.003 0.000 0.251 855 W C 2.259 178.793 176.519 0.024 0.000 1.305 855 W CA 0.242 57.557 57.345 -0.050 0.000 1.465 855 W CB -0.638 28.776 29.460 -0.076 0.000 1.122 855 W HN 0.262 nan 8.180 nan 0.000 0.659 856 E N 0.432 120.747 120.200 0.191 0.000 2.072 856 E HA -0.175 4.173 4.350 -0.003 0.000 0.191 856 E C 2.248 178.913 176.600 0.108 0.000 0.985 856 E CA 2.187 58.704 56.400 0.194 0.000 0.801 856 E CB 0.122 29.887 29.700 0.108 0.000 0.750 856 E HN 0.151 nan 8.360 nan 0.000 0.452 857 T N -1.328 113.266 114.554 0.067 0.000 2.777 857 T HA -0.169 4.179 4.350 -0.003 0.000 0.266 857 T C 1.696 176.450 174.700 0.091 0.000 1.040 857 T CA 1.379 63.514 62.100 0.057 0.000 1.141 857 T CB -0.204 68.703 68.868 0.065 0.000 0.868 857 T HN -0.023 nan 8.240 nan 0.000 0.444 858 E N 1.047 121.335 120.200 0.147 0.000 2.416 858 E HA 0.239 4.587 4.350 -0.003 0.000 0.189 858 E C -0.120 176.567 176.600 0.145 0.000 1.091 858 E CA -0.022 56.476 56.400 0.163 0.000 0.889 858 E CB -0.775 29.064 29.700 0.231 0.000 1.015 858 E HN 0.452 nan 8.360 nan 0.000 0.479 859 S N -0.263 115.520 115.700 0.139 0.000 3.436 859 S HA -0.200 4.268 4.470 -0.003 0.000 0.393 859 S C -0.570 174.174 174.600 0.239 0.000 0.914 859 S CA 0.578 58.869 58.200 0.152 0.000 1.317 859 S CB -1.149 62.086 63.200 0.059 0.000 0.920 859 S HN 0.345 nan 8.310 nan 0.000 0.564 860 L N 0.944 122.356 121.223 0.316 0.000 2.465 860 L HA 0.686 5.024 4.340 -0.003 0.000 0.257 860 L C -0.819 175.982 176.870 -0.115 0.000 0.988 860 L CA -0.795 54.100 54.840 0.093 0.000 0.827 860 L CB 2.092 44.133 42.059 -0.030 0.000 1.397 860 L HN 0.235 nan 8.230 nan 0.000 0.410 861 D N 1.830 121.948 120.400 -0.470 0.000 2.402 861 D HA 0.284 4.922 4.640 -0.003 0.000 0.252 861 D C -0.227 175.773 176.300 -0.500 0.000 1.294 861 D CA -0.358 53.242 54.000 -0.667 0.000 0.948 861 D CB 1.422 41.490 40.800 -1.219 0.000 1.202 861 D HN 0.216 nan 8.370 nan 0.000 0.561 862 L N 2.763 123.765 121.223 -0.369 0.000 2.611 862 L HA 0.157 4.494 4.340 -0.003 0.000 0.229 862 L C 0.864 177.602 176.870 -0.220 0.000 1.137 862 L CA 0.167 54.784 54.840 -0.371 0.000 0.901 862 L CB -1.404 40.233 42.059 -0.703 0.000 1.098 862 L HN 0.690 nan 8.230 nan 0.000 0.456 863 C N 0.010 119.188 119.300 -0.204 0.000 4.259 863 C HA -0.212 4.246 4.460 -0.003 0.000 0.294 863 C C 1.537 176.498 174.990 -0.048 0.000 1.459 863 C CA -0.272 58.673 59.018 -0.121 0.000 2.016 863 C CB -3.020 24.670 27.740 -0.084 0.000 1.274 863 C HN 0.332 nan 8.230 nan 0.000 0.792 864 L N -0.778 120.384 121.223 -0.102 0.000 2.473 864 L HA 0.300 4.638 4.340 -0.003 0.000 0.265 864 L C 0.497 177.405 176.870 0.063 0.000 1.243 864 L CA 0.247 55.009 54.840 -0.130 0.000 0.822 864 L CB 0.150 42.060 42.059 -0.247 0.000 1.101 864 L HN 0.274 nan 8.230 nan 0.000 0.507 865 L N 2.503 123.866 121.223 0.234 0.000 2.470 865 L HA 0.349 4.687 4.340 -0.003 0.000 0.256 865 L C -2.343 174.596 176.870 0.115 0.000 1.357 865 L CA -1.016 53.869 54.840 0.075 0.000 0.902 865 L CB 1.143 43.138 42.059 -0.106 0.000 1.121 865 L HN 0.259 nan 8.230 nan 0.000 0.507 866 P HA 0.155 nan 4.420 nan 0.000 0.260 866 P C -0.911 176.258 177.300 -0.218 0.000 1.651 866 P CA -0.141 62.888 63.100 -0.118 0.000 1.139 866 P CB -0.480 31.138 31.700 -0.137 0.000 1.756 867 Y N 0.581 120.856 120.300 -0.042 0.000 2.546 867 Y HA 0.369 4.917 4.550 -0.004 0.000 0.351 867 Y C 1.127 176.930 175.900 -0.161 0.000 1.266 867 Y CA -0.996 57.024 58.100 -0.134 0.000 1.487 867 Y CB -0.411 37.959 38.460 -0.150 0.000 1.365 867 Y HN 0.316 nan 8.280 nan 0.000 0.642 868 G N -0.130 108.555 108.800 -0.191 0.000 2.442 868 G HA2 0.361 4.318 3.960 -0.003 0.000 0.249 868 G HA3 0.361 4.318 3.960 -0.003 0.000 0.249 868 G C -1.353 173.363 174.900 -0.307 0.000 1.263 868 G CA -0.284 44.619 45.100 -0.329 0.000 0.846 868 G HN 1.041 nan 8.290 nan 0.000 0.555 869 C N 3.987 123.221 119.300 -0.109 0.000 2.752 869 C HA 0.665 5.123 4.460 -0.003 0.000 0.360 869 C C -1.244 173.769 174.990 0.039 0.000 1.081 869 C CA -0.897 58.105 59.018 -0.027 0.000 1.272 869 C CB 0.389 28.142 27.740 0.022 0.000 1.754 869 C HN 0.586 nan 8.230 nan 0.000 0.483 870 I N 5.036 125.616 120.570 0.017 0.000 2.512 870 I HA 0.295 4.463 4.170 -0.003 0.000 0.287 870 I C 0.298 176.406 176.117 -0.015 0.000 1.069 870 I CA 0.172 61.484 61.300 0.022 0.000 1.056 870 I CB 1.897 39.839 38.000 -0.097 0.000 1.229 870 I HN 0.786 nan 8.210 nan 0.000 0.429 871 S N 3.850 119.570 115.700 0.034 0.000 2.488 871 S HA 0.216 4.684 4.470 -0.003 0.000 0.278 871 S C 1.194 175.831 174.600 0.062 0.000 1.259 871 S CA 0.148 58.367 58.200 0.031 0.000 1.061 871 S CB 0.326 63.540 63.200 0.024 0.000 0.910 871 S HN 0.782 nan 8.310 nan 0.000 0.491 872 T N 2.260 116.851 114.554 0.062 0.000 3.023 872 T HA 0.511 4.859 4.350 -0.003 0.000 0.249 872 T C 0.893 175.670 174.700 0.128 0.000 1.050 872 T CA 0.280 62.455 62.100 0.125 0.000 1.088 872 T CB 0.106 69.046 68.868 0.121 0.000 0.946 872 T HN 0.879 nan 8.240 nan 0.000 0.480 873 G N 0.708 109.563 108.800 0.092 0.000 2.548 873 G HA2 0.437 4.395 3.960 -0.003 0.000 0.301 873 G HA3 0.437 4.395 3.960 -0.003 0.000 0.301 873 G C -0.868 174.066 174.900 0.058 0.000 1.349 873 G CA -0.079 45.071 45.100 0.083 0.000 0.792 873 G HN 0.052 nan 8.290 nan 0.000 0.481 874 D N 0.549 120.985 120.400 0.060 0.000 2.440 874 D HA -0.245 4.393 4.640 -0.003 0.000 0.476 874 D C 0.718 177.013 176.300 -0.008 0.000 1.144 874 D CA 1.405 55.428 54.000 0.040 0.000 1.398 874 D CB -0.148 40.693 40.800 0.069 0.000 1.516 874 D HN 0.444 nan 8.370 nan 0.000 0.512 875 K N 0.399 120.756 120.400 -0.072 0.000 2.981 875 K HA 0.406 4.724 4.320 -0.003 0.000 0.213 875 K C -0.233 176.237 176.600 -0.218 0.000 1.154 875 K CA -0.121 56.055 56.287 -0.185 0.000 1.111 875 K CB 0.574 32.887 32.500 -0.312 0.000 0.975 875 K HN 0.333 nan 8.250 nan 0.000 0.462 876 I N -0.875 119.670 120.570 -0.042 0.000 2.934 876 I HA 0.651 4.819 4.170 -0.003 0.000 0.306 876 I C 0.208 176.363 176.117 0.063 0.000 1.110 876 I CA -1.198 60.134 61.300 0.053 0.000 1.019 876 I CB 2.333 40.436 38.000 0.172 0.000 1.227 876 I HN 0.198 nan 8.210 nan 0.000 0.434 877 G N 3.369 112.216 108.800 0.078 0.000 2.313 877 G HA2 0.401 4.359 3.960 -0.003 0.000 0.296 877 G HA3 0.401 4.359 3.960 -0.003 0.000 0.296 877 G C -1.434 173.399 174.900 -0.112 0.000 1.356 877 G CA -0.878 44.223 45.100 0.001 0.000 0.833 877 G HN 0.665 nan 8.290 nan 0.000 0.552 878 M N -0.612 118.825 119.600 -0.272 0.000 2.598 878 M HA 0.903 5.381 4.480 -0.003 0.000 0.317 878 M C -1.215 174.964 176.300 -0.202 0.000 1.201 878 M CA -0.846 54.181 55.300 -0.454 0.000 0.971 878 M CB 2.102 34.238 32.600 -0.773 0.000 1.657 878 M HN 0.436 nan 8.290 nan 0.000 0.470 879 I N 0.746 121.202 120.570 -0.190 0.000 2.619 879 I HA 0.315 4.483 4.170 -0.003 0.000 0.292 879 I C -0.490 175.483 176.117 -0.239 0.000 1.100 879 I CA -0.645 60.566 61.300 -0.148 0.000 1.043 879 I CB 2.496 40.453 38.000 -0.072 0.000 1.239 879 I HN 0.852 nan 8.210 nan 0.000 0.420 880 E N 5.355 125.280 120.200 -0.458 0.000 2.392 880 E HA 0.256 4.604 4.350 -0.003 0.000 0.264 880 E C -0.949 175.505 176.600 -0.244 0.000 1.024 880 E CA -0.200 55.905 56.400 -0.492 0.000 0.903 880 E CB 0.952 30.309 29.700 -0.571 0.000 0.963 880 E HN 0.401 nan 8.360 nan 0.000 0.432 881 I N 4.923 125.380 120.570 -0.188 0.000 2.297 881 I HA 0.097 4.265 4.170 -0.003 0.000 0.291 881 I C -0.491 175.559 176.117 -0.112 0.000 1.033 881 I CA -0.715 60.443 61.300 -0.237 0.000 1.253 881 I CB 1.377 39.095 38.000 -0.470 0.000 1.396 881 I HN 0.299 nan 8.210 nan 0.000 0.476 882 V N 7.594 127.474 119.914 -0.056 0.000 2.455 882 V HA 0.095 4.213 4.120 -0.003 0.000 0.273 882 V C 0.579 176.724 176.094 0.085 0.000 1.045 882 V CA -0.481 61.806 62.300 -0.022 0.000 0.976 882 V CB 0.797 32.556 31.823 -0.107 0.000 0.993 882 V HN 0.638 nan 8.190 nan 0.000 0.475 883 K N 3.127 123.574 120.400 0.078 0.000 2.380 883 K HA 0.099 4.416 4.320 -0.003 0.000 0.267 883 K C 0.393 177.097 176.600 0.173 0.000 0.990 883 K CA 0.127 56.494 56.287 0.132 0.000 0.946 883 K CB 0.078 32.639 32.500 0.103 0.000 0.937 883 K HN 0.756 nan 8.250 nan 0.000 0.491 884 D N -0.315 120.205 120.400 0.200 0.000 2.689 884 D HA -0.215 4.423 4.640 -0.003 0.000 0.237 884 D C -1.175 175.299 176.300 0.290 0.000 1.148 884 D CA 1.382 55.513 54.000 0.219 0.000 0.656 884 D CB -0.925 39.977 40.800 0.169 0.000 1.050 884 D HN 0.545 nan 8.370 nan 0.000 0.426 885 A N -0.456 122.546 122.820 0.304 0.000 2.498 885 A HA 0.857 5.175 4.320 -0.003 0.000 0.298 885 A C 0.116 177.815 177.584 0.192 0.000 1.075 885 A CA -0.326 51.892 52.037 0.302 0.000 0.714 885 A CB 2.082 21.322 19.000 0.400 0.000 1.299 885 A HN 0.028 nan 8.150 nan 0.000 0.407 886 T N -0.026 114.542 114.554 0.023 0.000 2.816 886 T HA 0.533 4.881 4.350 -0.003 0.000 0.299 886 T C -0.327 174.211 174.700 -0.270 0.000 1.230 886 T CA -0.503 61.534 62.100 -0.105 0.000 1.007 886 T CB 1.492 70.272 68.868 -0.146 0.000 1.289 886 T HN 0.584 nan 8.240 nan 0.000 0.508 887 T N 2.145 116.544 114.554 -0.258 0.000 2.884 887 T HA 0.213 4.561 4.350 -0.003 0.000 0.298 887 T C 1.671 176.174 174.700 -0.328 0.000 0.998 887 T CA -0.561 61.357 62.100 -0.303 0.000 1.124 887 T CB 0.115 68.833 68.868 -0.251 0.000 0.931 887 T HN 0.368 nan 8.240 nan 0.000 0.531 888 I N 2.762 123.145 120.570 -0.312 0.000 2.163 888 I HA -0.173 3.995 4.170 -0.003 0.000 0.243 888 I C 2.716 178.687 176.117 -0.244 0.000 1.085 888 I CA 1.411 62.571 61.300 -0.234 0.000 1.347 888 I CB -1.801 36.153 38.000 -0.078 0.000 1.044 888 I HN 0.739 nan 8.210 nan 0.000 0.408 889 A N 0.794 123.441 122.820 -0.289 0.000 1.892 889 A HA -0.267 4.051 4.320 -0.003 0.000 0.218 889 A C 2.416 179.889 177.584 -0.184 0.000 1.188 889 A CA 2.021 53.892 52.037 -0.277 0.000 0.631 889 A CB -0.688 18.110 19.000 -0.337 0.000 0.822 889 A HN 0.359 nan 8.150 nan 0.000 0.447 890 K N -0.685 119.602 120.400 -0.188 0.000 2.152 890 K HA -0.074 4.244 4.320 -0.003 0.000 0.206 890 K C 1.796 178.318 176.600 -0.129 0.000 1.048 890 K CA 1.384 57.590 56.287 -0.136 0.000 0.933 890 K CB -0.296 32.120 32.500 -0.141 0.000 0.721 890 K HN 0.579 nan 8.250 nan 0.000 0.447 891 I N 0.802 121.242 120.570 -0.216 0.000 2.202 891 I HA -0.298 3.870 4.170 -0.003 0.000 0.242 891 I C 2.459 178.520 176.117 -0.093 0.000 1.091 891 I CA 1.130 62.292 61.300 -0.231 0.000 1.368 891 I CB -0.235 37.508 38.000 -0.429 0.000 1.058 891 I HN 0.275 nan 8.210 nan 0.000 0.410 892 Q N 0.492 120.226 119.800 -0.110 0.000 2.020 892 Q HA -0.269 4.069 4.340 -0.003 0.000 0.202 892 Q C 2.139 178.138 176.000 -0.002 0.000 0.982 892 Q CA 1.709 57.470 55.803 -0.070 0.000 0.838 892 Q CB -0.490 28.143 28.738 -0.175 0.000 0.899 892 Q HN 0.576 nan 8.270 nan 0.000 0.423 893 Q N 0.065 119.867 119.800 0.005 0.000 2.133 893 Q HA -0.172 4.166 4.340 -0.003 0.000 0.208 893 Q C 2.264 178.288 176.000 0.040 0.000 0.991 893 Q CA 1.934 57.764 55.803 0.044 0.000 0.867 893 Q CB -0.032 28.724 28.738 0.029 0.000 0.911 893 Q HN 0.260 nan 8.270 nan 0.000 0.417 894 S N -0.192 115.528 115.700 0.033 0.000 2.344 894 S HA -0.152 4.315 4.470 -0.003 0.000 0.217 894 S C 2.057 176.692 174.600 0.059 0.000 1.033 894 S CA 1.649 59.881 58.200 0.053 0.000 1.017 894 S CB -0.607 62.641 63.200 0.080 0.000 0.941 894 S HN 0.412 nan 8.310 nan 0.000 0.430 895 T N 2.458 117.053 114.554 0.068 0.000 2.614 895 T HA -0.047 4.300 4.350 -0.003 0.000 0.263 895 T C 1.772 176.496 174.700 0.041 0.000 1.055 895 T CA 1.402 63.543 62.100 0.068 0.000 1.162 895 T CB -0.415 68.504 68.868 0.084 0.000 0.863 895 T HN 0.108 nan 8.240 nan 0.000 0.414 896 V N -0.062 119.869 119.914 0.029 0.000 2.337 896 V HA 0.509 4.627 4.120 -0.003 0.000 0.182 896 V C 1.553 177.663 176.094 0.027 0.000 1.020 896 V CA 1.305 63.613 62.300 0.015 0.000 1.223 896 V CB -0.686 31.145 31.823 0.014 0.000 0.750 896 V HN 0.739 nan 8.190 nan 0.000 0.463 897 G N -1.099 107.728 108.800 0.046 0.000 2.512 897 G HA2 0.122 4.080 3.960 -0.003 0.000 0.186 897 G HA3 0.122 4.080 3.960 -0.003 0.000 0.186 897 G C -1.139 173.827 174.900 0.110 0.000 1.189 897 G CA -0.327 44.809 45.100 0.060 0.000 0.994 897 G HN 0.297 nan 8.290 nan 0.000 0.506 898 N N 2.086 120.857 118.700 0.118 0.000 2.994 898 N HA 0.310 5.048 4.740 -0.003 0.000 0.306 898 N C -0.393 175.305 175.510 0.315 0.000 1.348 898 N CA 0.665 53.837 53.050 0.204 0.000 1.109 898 N CB 0.641 39.208 38.487 0.133 0.000 1.415 898 N HN 0.743 nan 8.380 nan 0.000 0.529 899 T N -5.358 109.317 114.554 0.202 0.000 2.739 899 T HA 0.364 4.712 4.350 -0.003 0.000 0.303 899 T C 0.837 175.009 174.700 -0.880 0.000 1.389 899 T CA -0.824 61.129 62.100 -0.245 0.000 1.001 899 T CB 1.161 69.931 68.868 -0.164 0.000 1.436 899 T HN -0.035 nan 8.240 nan 0.000 0.500 900 G N -0.438 107.531 108.800 -1.385 0.000 3.141 900 G HA2 0.434 4.392 3.960 -0.003 0.000 0.218 900 G HA3 0.434 4.392 3.960 -0.003 0.000 0.218 900 G C 0.764 174.803 174.900 -1.435 0.000 1.170 900 G CA 0.077 44.184 45.100 -1.655 0.000 0.769 900 G HN 1.178 nan 8.290 nan 0.000 0.546 901 A N 1.111 123.481 122.820 -0.749 0.000 3.046 901 A HA 0.505 4.823 4.320 -0.003 0.000 0.259 901 A C 0.075 177.372 177.584 -0.479 0.000 1.843 901 A CA -0.656 51.052 52.037 -0.549 0.000 1.451 901 A CB -1.200 17.607 19.000 -0.321 0.000 1.025 901 A HN 0.314 nan 8.150 nan 0.000 0.625 902 F N 1.247 120.831 119.950 -0.609 0.000 2.608 902 F HA 0.059 4.583 4.527 -0.003 0.000 0.380 902 F C 1.009 176.376 175.800 -0.723 0.000 1.083 902 F CA 0.066 57.544 58.000 -0.870 0.000 1.266 902 F CB 0.742 38.705 39.000 -1.729 0.000 1.076 902 F HN 0.208 nan 8.300 nan 0.000 0.574 903 K N 3.480 123.740 120.400 -0.234 0.000 2.263 903 K HA 0.123 4.441 4.320 -0.003 0.000 0.272 903 K C 0.015 176.582 176.600 -0.055 0.000 1.033 903 K CA -0.403 55.799 56.287 -0.141 0.000 0.884 903 K CB 1.229 33.660 32.500 -0.115 0.000 1.107 903 K HN 0.514 nan 8.250 nan 0.000 0.460 904 D N 2.000 122.426 120.400 0.044 0.000 2.265 904 D HA -0.182 4.456 4.640 -0.003 0.000 0.208 904 D C 0.721 176.777 176.300 -0.406 0.000 0.977 904 D CA 1.346 55.387 54.000 0.068 0.000 0.871 904 D CB 0.270 41.080 40.800 0.016 0.000 0.925 904 D HN 0.555 nan 8.370 nan 0.000 0.485 905 E N -0.124 119.677 120.200 -0.665 0.000 2.447 905 E HA 0.053 4.400 4.350 -0.003 0.000 0.195 905 E C 1.990 178.311 176.600 -0.464 0.000 1.028 905 E CA -0.065 55.690 56.400 -1.076 0.000 0.876 905 E CB -0.267 28.687 29.700 -1.243 0.000 0.885 905 E HN 0.071 nan 8.360 nan 0.000 0.500 906 V N 1.343 121.152 119.914 -0.176 0.000 2.278 906 V HA -0.319 3.799 4.120 -0.003 0.000 0.251 906 V C 2.236 178.431 176.094 0.169 0.000 1.062 906 V CA 1.906 64.226 62.300 0.033 0.000 1.038 906 V CB -0.570 31.274 31.823 0.035 0.000 0.646 906 V HN 0.297 nan 8.190 nan 0.000 0.447 907 L N -0.229 121.094 121.223 0.166 0.000 1.970 907 L HA -0.224 4.114 4.340 -0.003 0.000 0.212 907 L C 2.734 179.802 176.870 0.329 0.000 1.071 907 L CA 2.262 57.237 54.840 0.226 0.000 0.751 907 L CB -0.411 41.776 42.059 0.213 0.000 0.889 907 L HN 0.405 nan 8.230 nan 0.000 0.432 908 S N -1.481 114.415 115.700 0.328 0.000 2.382 908 S HA -0.229 4.239 4.470 -0.003 0.000 0.228 908 S C 1.908 176.803 174.600 0.492 0.000 1.027 908 S CA 1.058 59.491 58.200 0.389 0.000 0.991 908 S CB -0.393 63.047 63.200 0.399 0.000 0.823 908 S HN 0.546 nan 8.310 nan 0.000 0.469 909 H N -1.636 117.637 119.070 0.339 0.000 2.545 909 H HA 0.031 4.585 4.556 -0.003 0.000 0.282 909 H C 1.270 176.756 175.328 0.263 0.000 1.020 909 H CA 0.621 56.815 56.048 0.244 0.000 1.243 909 H CB -0.342 29.532 29.762 0.187 0.000 1.377 909 H HN 0.644 nan 8.280 nan 0.000 0.581 910 W N 0.227 121.676 121.300 0.248 0.000 2.526 910 W HA 0.052 4.709 4.660 -0.004 0.000 0.294 910 W C 1.887 178.516 176.519 0.184 0.000 1.181 910 W CA 0.310 57.760 57.345 0.174 0.000 1.373 910 W CB -0.347 29.195 29.460 0.136 0.000 1.112 910 W HN 0.026 nan 8.180 nan 0.000 0.545 911 L N 0.939 122.450 121.223 0.480 0.000 1.989 911 L HA -0.271 4.067 4.340 -0.003 0.000 0.211 911 L C 2.491 179.564 176.870 0.338 0.000 1.071 911 L CA 1.853 56.896 54.840 0.337 0.000 0.749 911 L CB -0.938 41.309 42.059 0.313 0.000 0.890 911 L HN -0.102 nan 8.230 nan 0.000 0.431 912 K N 0.739 121.427 120.400 0.480 0.000 2.032 912 K HA -0.253 4.065 4.320 -0.003 0.000 0.209 912 K C 1.894 178.512 176.600 0.031 0.000 1.048 912 K CA 2.018 58.409 56.287 0.173 0.000 0.927 912 K CB -0.172 32.252 32.500 -0.126 0.000 0.712 912 K HN 0.494 nan 8.250 nan 0.000 0.441 913 E N -0.161 120.023 120.200 -0.027 0.000 2.204 913 E HA -0.170 4.178 4.350 -0.003 0.000 0.195 913 E C 1.147 177.643 176.600 -0.172 0.000 0.990 913 E CA 1.285 57.620 56.400 -0.109 0.000 0.821 913 E CB 0.039 29.664 29.700 -0.125 0.000 0.750 913 E HN 0.048 nan 8.360 nan 0.000 0.477 914 K N -0.368 119.882 120.400 -0.249 0.000 2.367 914 K HA 0.176 4.494 4.320 -0.003 0.000 0.194 914 K C -0.351 176.190 176.600 -0.098 0.000 1.027 914 K CA 0.139 56.257 56.287 -0.281 0.000 1.075 914 K CB 0.779 32.918 32.500 -0.601 0.000 0.845 914 K HN 0.143 nan 8.250 nan 0.000 0.529 915 C N 1.784 121.091 119.300 0.012 0.000 3.328 915 C HA 0.266 4.724 4.460 -0.003 0.000 0.230 915 C C -1.737 173.316 174.990 0.105 0.000 1.232 915 C CA -1.254 57.823 59.018 0.099 0.000 1.431 915 C CB 0.989 28.851 27.740 0.203 0.000 1.818 915 C HN 0.136 nan 8.230 nan 0.000 0.484 916 P HA -0.089 nan 4.420 nan 0.000 0.213 916 P C 0.355 177.668 177.300 0.021 0.000 1.170 916 P CA 1.061 64.162 63.100 0.002 0.000 0.898 916 P CB 0.047 31.741 31.700 -0.009 0.000 0.787 917 I N 1.438 122.032 120.570 0.040 0.000 2.845 917 I HA -0.119 4.049 4.170 -0.003 0.000 0.290 917 I C 1.745 177.913 176.117 0.085 0.000 1.202 917 I CA 0.787 62.116 61.300 0.049 0.000 1.406 917 I CB -0.521 37.507 38.000 0.046 0.000 1.383 917 I HN 0.019 nan 8.210 nan 0.000 0.549 918 E N 5.101 125.341 120.200 0.067 0.000 2.045 918 E HA -0.308 4.040 4.350 -0.003 0.000 0.212 918 E C 1.704 178.392 176.600 0.147 0.000 1.039 918 E CA 1.697 58.159 56.400 0.102 0.000 0.860 918 E CB -0.219 29.517 29.700 0.060 0.000 0.776 918 E HN 0.685 nan 8.360 nan 0.000 0.467 919 E N 0.681 120.940 120.200 0.098 0.000 2.208 919 E HA -0.268 4.080 4.350 -0.003 0.000 0.202 919 E C 2.085 178.739 176.600 0.090 0.000 1.014 919 E CA 1.542 57.994 56.400 0.087 0.000 0.819 919 E CB -0.059 29.678 29.700 0.060 0.000 0.735 919 E HN 0.141 nan 8.360 nan 0.000 0.469 920 K N -0.495 119.965 120.400 0.099 0.000 2.005 920 K HA -0.124 4.194 4.320 -0.003 0.000 0.206 920 K C 2.133 178.792 176.600 0.098 0.000 1.044 920 K CA 1.070 57.408 56.287 0.085 0.000 0.942 920 K CB -0.386 32.161 32.500 0.079 0.000 0.727 920 K HN 0.052 nan 8.250 nan 0.000 0.439 921 F N 2.105 122.069 119.950 0.023 0.000 2.161 921 F HA -0.223 4.302 4.527 -0.003 0.000 0.300 921 F C 2.115 177.937 175.800 0.035 0.000 1.089 921 F CA 1.451 59.467 58.000 0.026 0.000 1.282 921 F CB 0.030 39.041 39.000 0.018 0.000 1.010 921 F HN 0.144 nan 8.300 nan 0.000 0.485 922 Q N 0.156 120.092 119.800 0.226 0.000 2.364 922 Q HA -0.083 4.255 4.340 -0.003 0.000 0.209 922 Q C 2.224 178.238 176.000 0.023 0.000 0.977 922 Q CA 1.189 57.084 55.803 0.154 0.000 0.885 922 Q CB -0.578 28.270 28.738 0.182 0.000 0.941 922 Q HN 0.592 nan 8.270 nan 0.000 0.464 923 A N 0.183 123.002 122.820 -0.003 0.000 2.115 923 A HA 0.305 4.623 4.320 -0.003 0.000 0.211 923 A C 1.992 179.547 177.584 -0.050 0.000 1.169 923 A CA 0.732 52.766 52.037 -0.005 0.000 0.787 923 A CB 0.033 19.043 19.000 0.018 0.000 0.858 923 A HN 0.246 nan 8.150 nan 0.000 0.474 924 A N -0.362 122.382 122.820 -0.127 0.000 2.252 924 A HA 0.340 4.658 4.320 -0.003 0.000 0.207 924 A C 1.473 178.929 177.584 -0.214 0.000 1.194 924 A CA 1.153 53.105 52.037 -0.142 0.000 0.809 924 A CB -0.327 18.564 19.000 -0.181 0.000 0.814 924 A HN 0.320 nan 8.150 nan 0.000 0.482 925 V N -1.467 118.293 119.914 -0.257 0.000 3.212 925 V HA -0.008 4.110 4.120 -0.003 0.000 0.244 925 V C 2.115 178.101 176.094 -0.180 0.000 1.151 925 V CA 1.104 63.227 62.300 -0.294 0.000 1.119 925 V CB -0.040 31.544 31.823 -0.398 0.000 0.838 925 V HN 0.666 nan 8.190 nan 0.000 0.470 926 E N 0.533 120.682 120.200 -0.085 0.000 2.107 926 E HA -0.163 4.185 4.350 -0.003 0.000 0.191 926 E C 2.447 179.158 176.600 0.184 0.000 0.982 926 E CA 0.703 57.123 56.400 0.033 0.000 0.809 926 E CB 0.087 29.864 29.700 0.128 0.000 0.756 926 E HN 0.315 nan 8.360 nan 0.000 0.459 927 R N -0.008 120.571 120.500 0.131 0.000 2.082 927 R HA -0.179 4.159 4.340 -0.003 0.000 0.234 927 R C 2.301 178.699 176.300 0.163 0.000 1.136 927 R CA 1.613 57.795 56.100 0.137 0.000 0.935 927 R CB -0.835 29.512 30.300 0.077 0.000 0.842 927 R HN 0.251 nan 8.270 nan 0.000 0.430 928 F N 1.188 121.121 119.950 -0.028 0.000 2.043 928 F HA -0.329 4.196 4.527 -0.003 0.000 0.297 928 F C 2.380 178.158 175.800 -0.037 0.000 1.118 928 F CA 1.899 59.862 58.000 -0.061 0.000 1.202 928 F CB -0.497 38.420 39.000 -0.138 0.000 0.965 928 F HN -0.204 nan 8.300 nan 0.000 0.482 929 V N -0.523 119.544 119.914 0.255 0.000 2.278 929 V HA -0.395 3.723 4.120 -0.003 0.000 0.251 929 V C 2.028 178.158 176.094 0.060 0.000 1.062 929 V CA 2.444 64.825 62.300 0.134 0.000 1.038 929 V CB -1.055 30.733 31.823 -0.059 0.000 0.646 929 V HN 0.460 nan 8.190 nan 0.000 0.447 930 Y N 0.907 121.215 120.300 0.014 0.000 2.153 930 Y HA -0.217 4.331 4.550 -0.003 0.000 0.289 930 Y C 2.931 178.763 175.900 -0.113 0.000 1.127 930 Y CA 1.752 59.804 58.100 -0.080 0.000 1.131 930 Y CB -0.535 37.855 38.460 -0.118 0.000 0.995 930 Y HN 0.393 nan 8.280 nan 0.000 0.505 931 S N -0.826 114.925 115.700 0.084 0.000 2.353 931 S HA -0.327 4.140 4.470 -0.003 0.000 0.222 931 S C 2.171 176.797 174.600 0.042 0.000 1.035 931 S CA 1.302 59.528 58.200 0.044 0.000 1.025 931 S CB -1.514 61.729 63.200 0.071 0.000 0.902 931 S HN 0.639 nan 8.310 nan 0.000 0.440 932 C N 2.381 121.601 119.300 -0.133 0.000 2.413 932 C HA 0.108 4.566 4.460 -0.003 0.000 0.277 932 C C 3.052 178.121 174.990 0.133 0.000 1.265 932 C CA 0.940 59.879 59.018 -0.132 0.000 1.752 932 C CB -1.894 25.575 27.740 -0.451 0.000 1.998 932 C HN 0.695 nan 8.230 nan 0.000 0.489 933 A N 0.706 123.625 122.820 0.164 0.000 1.841 933 A HA 0.138 4.456 4.320 -0.003 0.000 0.214 933 A C 2.564 180.075 177.584 -0.123 0.000 1.195 933 A CA 2.113 54.187 52.037 0.063 0.000 0.611 933 A CB -1.712 17.178 19.000 -0.183 0.000 0.835 933 A HN 0.703 nan 8.150 nan 0.000 0.443 934 G N -1.489 107.183 108.800 -0.213 0.000 2.476 934 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.218 934 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.218 934 G C 1.503 176.301 174.900 -0.170 0.000 1.164 934 G CA 1.359 46.260 45.100 -0.331 0.000 0.768 934 G HN 0.577 nan 8.290 nan 0.000 0.560 935 Y N 0.063 120.344 120.300 -0.032 0.000 2.224 935 Y HA -0.158 4.390 4.550 -0.004 0.000 0.289 935 Y C 3.224 179.065 175.900 -0.098 0.000 1.146 935 Y CA 0.826 58.881 58.100 -0.075 0.000 1.182 935 Y CB -0.457 37.899 38.460 -0.174 0.000 0.983 935 Y HN 0.241 nan 8.280 nan 0.000 0.524 936 C N -0.942 118.368 119.300 0.017 0.000 2.398 936 C HA -0.193 4.265 4.460 -0.003 0.000 0.276 936 C C 2.726 177.666 174.990 -0.082 0.000 1.222 936 C CA 1.176 60.030 59.018 -0.273 0.000 1.746 936 C CB -1.146 26.220 27.740 -0.624 0.000 2.039 936 C HN 0.375 nan 8.230 nan 0.000 0.470 937 V N 1.293 121.234 119.914 0.045 0.000 2.270 937 V HA -0.188 3.930 4.120 -0.003 0.000 0.245 937 V C 2.697 178.965 176.094 0.291 0.000 1.043 937 V CA 2.284 64.698 62.300 0.190 0.000 1.014 937 V CB -1.454 30.372 31.823 0.006 0.000 0.645 937 V HN 0.600 nan 8.190 nan 0.000 0.447 938 A N -0.647 122.315 122.820 0.237 0.000 1.877 938 A HA -0.267 4.051 4.320 -0.003 0.000 0.216 938 A C 2.451 180.154 177.584 0.199 0.000 1.186 938 A CA 2.628 54.783 52.037 0.196 0.000 0.620 938 A CB -1.146 17.935 19.000 0.136 0.000 0.822 938 A HN 0.447 nan 8.150 nan 0.000 0.443 939 T N -1.684 113.004 114.554 0.223 0.000 2.881 939 T HA -0.109 4.239 4.350 -0.003 0.000 0.270 939 T C 1.467 176.398 174.700 0.385 0.000 1.068 939 T CA 1.634 63.898 62.100 0.272 0.000 1.131 939 T CB -0.409 68.582 68.868 0.206 0.000 0.871 939 T HN 0.466 nan 8.240 nan 0.000 0.479 940 F N 0.950 121.072 119.950 0.286 0.000 2.219 940 F HA 0.162 4.687 4.527 -0.003 0.000 0.294 940 F C 2.038 178.062 175.800 0.374 0.000 1.086 940 F CA 0.367 58.594 58.000 0.379 0.000 1.330 940 F CB -0.714 38.564 39.000 0.463 0.000 1.047 940 F HN -0.044 nan 8.300 nan 0.000 0.495 941 V N 1.158 121.082 119.914 0.016 0.000 2.407 941 V HA -0.284 3.834 4.120 -0.003 0.000 0.248 941 V C 2.361 178.434 176.094 -0.034 0.000 1.055 941 V CA 1.953 64.183 62.300 -0.116 0.000 1.049 941 V CB -0.795 31.038 31.823 0.018 0.000 0.662 941 V HN 0.357 nan 8.190 nan 0.000 0.455 942 L N 0.259 121.522 121.223 0.068 0.000 2.554 942 L HA 0.275 4.613 4.340 -0.003 0.000 0.226 942 L C 1.576 178.476 176.870 0.050 0.000 1.137 942 L CA 0.829 55.724 54.840 0.092 0.000 0.863 942 L CB -0.509 41.647 42.059 0.161 0.000 0.985 942 L HN 0.529 nan 8.230 nan 0.000 0.451 943 G N 1.724 110.534 108.800 0.017 0.000 2.212 943 G HA2 -0.273 3.684 3.960 -0.003 0.000 0.255 943 G HA3 -0.273 3.684 3.960 -0.003 0.000 0.255 943 G C 0.412 175.279 174.900 -0.056 0.000 1.062 943 G CA 0.426 45.323 45.100 -0.339 0.000 0.815 943 G HN 0.579 nan 8.290 nan 0.000 0.497 944 I N -4.336 116.331 120.570 0.162 0.000 3.064 944 I HA 0.520 4.688 4.170 -0.003 0.000 0.323 944 I C 1.230 177.538 176.117 0.317 0.000 1.501 944 I CA -0.029 61.406 61.300 0.225 0.000 0.890 944 I CB 0.236 38.393 38.000 0.261 0.000 1.602 944 I HN 0.048 nan 8.210 nan 0.000 0.586 945 G N 0.373 109.392 108.800 0.365 0.000 2.623 945 G HA2 -0.093 3.865 3.960 -0.003 0.000 0.214 945 G HA3 -0.093 3.865 3.960 -0.003 0.000 0.214 945 G C 0.228 175.356 174.900 0.380 0.000 1.138 945 G CA 0.330 45.699 45.100 0.449 0.000 0.794 945 G HN 0.405 nan 8.290 nan 0.000 0.535 946 D N 1.057 121.646 120.400 0.314 0.000 2.428 946 D HA 0.307 4.945 4.640 -0.003 0.000 0.221 946 D C 0.379 176.838 176.300 0.265 0.000 1.123 946 D CA -0.333 53.859 54.000 0.320 0.000 0.869 946 D CB 0.235 41.248 40.800 0.355 0.000 1.032 946 D HN 0.377 nan 8.370 nan 0.000 0.506 947 R N 2.024 122.549 120.500 0.041 0.000 2.734 947 R HA 0.334 4.672 4.340 -0.003 0.000 0.271 947 R C -0.356 175.449 176.300 -0.825 0.000 1.021 947 R CA -0.935 54.869 56.100 -0.494 0.000 0.893 947 R CB 0.663 30.753 30.300 -0.351 0.000 1.244 947 R HN 0.255 nan 8.270 nan 0.000 0.464 948 H N 0.865 119.062 119.070 -1.454 0.000 2.745 948 H HA 0.100 4.654 4.556 -0.003 0.000 0.373 948 H C 0.790 175.819 175.328 -0.498 0.000 1.226 948 H CA 0.452 55.939 56.048 -0.936 0.000 1.435 948 H CB 0.762 30.089 29.762 -0.725 0.000 1.461 948 H HN 0.678 nan 8.280 nan 0.000 0.616 949 N N 1.100 119.453 118.700 -0.579 0.000 2.272 949 N HA -0.202 4.536 4.740 -0.003 0.000 0.185 949 N C 0.589 175.710 175.510 -0.648 0.000 1.014 949 N CA 1.279 53.965 53.050 -0.606 0.000 0.870 949 N CB 0.045 38.170 38.487 -0.603 0.000 0.975 949 N HN 0.618 nan 8.380 nan 0.000 0.433 950 D N -0.024 119.870 120.400 -0.844 0.000 2.317 950 D HA 0.040 4.678 4.640 -0.003 0.000 0.211 950 D C 0.576 176.623 176.300 -0.421 0.000 0.966 950 D CA 0.716 54.394 54.000 -0.538 0.000 0.876 950 D CB -0.051 40.487 40.800 -0.436 0.000 0.927 950 D HN 0.267 nan 8.370 nan 0.000 0.519 951 N N -0.559 117.864 118.700 -0.463 0.000 2.276 951 N HA 0.148 4.886 4.740 -0.003 0.000 0.212 951 N C -0.466 174.709 175.510 -0.560 0.000 1.127 951 N CA -0.053 52.718 53.050 -0.464 0.000 0.834 951 N CB 1.056 39.269 38.487 -0.457 0.000 1.014 951 N HN 0.135 nan 8.380 nan 0.000 0.491 952 I N 1.049 121.300 120.570 -0.531 0.000 2.608 952 I HA 0.411 4.578 4.170 -0.003 0.000 0.295 952 I C -0.506 175.290 176.117 -0.536 0.000 1.049 952 I CA -0.438 60.522 61.300 -0.566 0.000 1.063 952 I CB 2.052 39.785 38.000 -0.445 0.000 1.248 952 I HN -0.133 nan 8.210 nan 0.000 0.424 953 M N 5.645 124.809 119.600 -0.726 0.000 2.690 953 M HA 0.618 5.096 4.480 -0.003 0.000 0.302 953 M C -1.113 174.745 176.300 -0.737 0.000 1.234 953 M CA -0.805 53.984 55.300 -0.852 0.000 0.853 953 M CB 3.603 35.377 32.600 -1.375 0.000 1.748 953 M HN 0.440 nan 8.290 nan 0.000 0.469 954 I N 0.467 120.773 120.570 -0.440 0.000 2.894 954 I HA 0.477 4.645 4.170 -0.003 0.000 0.302 954 I C -0.908 175.293 176.117 0.140 0.000 1.188 954 I CA -0.298 60.929 61.300 -0.121 0.000 1.014 954 I CB 2.570 40.504 38.000 -0.109 0.000 1.242 954 I HN 0.851 nan 8.210 nan 0.000 0.430 955 S N 3.341 119.222 115.700 0.303 0.000 2.578 955 S HA 0.389 4.857 4.470 -0.003 0.000 0.301 955 S C 0.210 175.043 174.600 0.389 0.000 1.091 955 S CA -0.586 57.828 58.200 0.355 0.000 1.032 955 S CB 1.702 65.077 63.200 0.292 0.000 1.064 955 S HN 0.698 nan 8.310 nan 0.000 0.508 956 E N 1.106 121.519 120.200 0.354 0.000 2.482 956 E HA 0.004 4.352 4.350 -0.003 0.000 0.200 956 E C 0.270 176.949 176.600 0.132 0.000 1.147 956 E CA 0.704 57.229 56.400 0.207 0.000 0.912 956 E CB -0.413 29.321 29.700 0.057 0.000 0.938 956 E HN 0.829 nan 8.360 nan 0.000 0.519 957 T N -4.100 110.550 114.554 0.159 0.000 3.170 957 T HA 0.341 4.689 4.350 -0.003 0.000 0.288 957 T C 1.238 175.998 174.700 0.101 0.000 0.992 957 T CA -0.092 62.066 62.100 0.096 0.000 0.909 957 T CB 1.041 69.954 68.868 0.076 0.000 1.133 957 T HN 0.177 nan 8.240 nan 0.000 0.530 958 G N 2.090 110.990 108.800 0.166 0.000 2.159 958 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.256 958 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.256 958 G C -0.017 175.004 174.900 0.201 0.000 0.977 958 G CA -0.143 45.075 45.100 0.197 0.000 0.652 958 G HN 0.637 nan 8.290 nan 0.000 0.531 959 N N 0.291 119.099 118.700 0.180 0.000 2.458 959 N HA 0.465 5.203 4.740 -0.003 0.000 0.270 959 N C 0.093 175.727 175.510 0.207 0.000 1.102 959 N CA -0.117 53.034 53.050 0.170 0.000 0.967 959 N CB 1.038 39.624 38.487 0.165 0.000 1.078 959 N HN 0.538 nan 8.380 nan 0.000 0.471 960 L N 4.381 125.645 121.223 0.069 0.000 2.334 960 L HA 0.742 5.080 4.340 -0.003 0.000 0.272 960 L C -1.240 175.724 176.870 0.156 0.000 1.020 960 L CA -0.646 54.147 54.840 -0.078 0.000 0.812 960 L CB 0.822 42.567 42.059 -0.523 0.000 1.264 960 L HN 0.512 nan 8.230 nan 0.000 0.439 961 F N 0.461 120.265 119.950 -0.243 0.000 2.639 961 F HA 0.447 4.972 4.527 -0.003 0.000 0.320 961 F C -0.744 174.767 175.800 -0.481 0.000 1.128 961 F CA -0.885 56.798 58.000 -0.527 0.000 1.037 961 F CB 0.348 39.342 39.000 -0.011 0.000 1.288 961 F HN 0.525 nan 8.300 nan 0.000 0.463 962 H N 3.253 121.802 119.070 -0.868 0.000 2.730 962 H HA 0.700 5.254 4.556 -0.003 0.000 0.376 962 H C 0.123 175.315 175.328 -0.227 0.000 1.299 962 H CA 0.452 56.234 56.048 -0.443 0.000 1.447 962 H CB 1.718 31.316 29.762 -0.272 0.000 1.493 962 H HN 0.811 nan 8.280 nan 0.000 0.619 963 I N -3.117 117.164 120.570 -0.483 0.000 3.486 963 I HA 0.228 4.396 4.170 -0.003 0.000 0.316 963 I C -0.811 174.957 176.117 -0.581 0.000 1.230 963 I CA -1.024 60.082 61.300 -0.322 0.000 0.948 963 I CB 1.537 39.380 38.000 -0.261 0.000 1.340 963 I HN 0.394 nan 8.210 nan 0.000 0.474 964 D N 1.221 121.504 120.400 -0.195 0.000 2.886 964 D HA -0.201 4.437 4.640 -0.003 0.000 0.221 964 D C -0.010 176.214 176.300 -0.127 0.000 1.227 964 D CA 1.027 54.952 54.000 -0.125 0.000 0.746 964 D CB -0.584 40.104 40.800 -0.187 0.000 0.935 964 D HN 0.493 nan 8.370 nan 0.000 0.399 965 F N -0.114 119.887 119.950 0.085 0.000 2.765 965 F HA 0.193 4.718 4.527 -0.003 0.000 0.302 965 F C 2.271 178.094 175.800 0.038 0.000 1.111 965 F CA 0.193 58.234 58.000 0.067 0.000 1.359 965 F CB 0.156 39.207 39.000 0.085 0.000 1.097 965 F HN 0.186 nan 8.300 nan 0.000 0.577 980 K N -1.088 119.300 120.400 -0.020 0.000 3.499 980 K HA 0.379 4.697 4.320 -0.003 0.000 0.407 980 K C -1.330 175.252 176.600 -0.030 0.000 0.972 980 K CA -0.885 55.379 56.287 -0.038 0.000 0.764 980 K CB 1.105 33.566 32.500 -0.065 0.000 1.440 980 K HN -0.201 nan 8.250 nan 0.000 0.509 981 E N 0.833 121.004 120.200 -0.049 0.000 2.207 981 E HA 0.550 4.898 4.350 -0.003 0.000 0.270 981 E C -0.999 175.583 176.600 -0.030 0.000 0.927 981 E CA -0.628 55.752 56.400 -0.034 0.000 0.799 981 E CB 2.141 31.822 29.700 -0.031 0.000 1.172 981 E HN 0.456 nan 8.360 nan 0.000 0.404 982 R N -0.103 120.397 120.500 -0.001 0.000 2.810 982 R HA 0.747 5.085 4.340 -0.003 0.000 0.266 982 R C -1.291 175.020 176.300 0.018 0.000 1.061 982 R CA -0.866 55.253 56.100 0.032 0.000 0.943 982 R CB 1.906 32.239 30.300 0.055 0.000 1.237 982 R HN 0.266 nan 8.270 nan 0.000 0.459 983 V N 1.331 121.265 119.914 0.034 0.000 3.147 983 V HA 0.338 4.456 4.120 -0.003 0.000 0.299 983 V C -1.955 174.097 176.094 -0.071 0.000 1.302 983 V CA -1.725 60.538 62.300 -0.061 0.000 1.015 983 V CB 2.582 34.372 31.823 -0.056 0.000 1.086 983 V HN 0.737 nan 8.190 nan 0.000 0.437 984 P HA 0.019 nan 4.420 nan 0.000 0.219 984 P C -0.068 177.241 177.300 0.014 0.000 1.150 984 P CA 1.543 64.460 63.100 -0.305 0.000 0.814 984 P CB 0.086 31.261 31.700 -0.875 0.000 0.787 985 F N -4.360 115.616 119.950 0.042 0.000 3.332 985 F HA 0.463 4.988 4.527 -0.003 0.000 0.327 985 F C -1.625 174.243 175.800 0.114 0.000 1.128 985 F CA -1.571 56.514 58.000 0.141 0.000 0.854 985 F CB 0.237 39.343 39.000 0.176 0.000 1.500 985 F HN -0.462 nan 8.300 nan 0.000 0.485 986 V N 2.023 122.268 119.914 0.552 0.000 2.333 986 V HA 0.583 4.701 4.120 -0.003 0.000 0.274 986 V C -0.800 175.504 176.094 0.350 0.000 1.028 986 V CA -0.192 62.284 62.300 0.294 0.000 0.851 986 V CB 0.957 32.902 31.823 0.204 0.000 1.000 986 V HN 0.693 nan 8.190 nan 0.000 0.456 987 L N 6.135 127.427 121.223 0.115 0.000 2.613 987 L HA 0.374 4.712 4.340 -0.003 0.000 0.275 987 L C 0.769 177.503 176.870 -0.226 0.000 1.453 987 L CA 0.124 55.040 54.840 0.127 0.000 0.725 987 L CB 0.776 43.033 42.059 0.330 0.000 1.013 987 L HN 0.752 nan 8.230 nan 0.000 0.520 988 T N -1.628 112.541 114.554 -0.641 0.000 2.724 988 T HA 0.154 4.502 4.350 -0.003 0.000 0.324 988 T C -1.633 172.596 174.700 -0.785 0.000 1.071 988 T CA -0.599 60.942 62.100 -0.932 0.000 1.061 988 T CB 0.004 68.043 68.868 -1.381 0.000 0.990 988 T HN 0.174 nan 8.240 nan 0.000 0.543 989 P HA -0.141 nan 4.420 nan 0.000 0.216 989 P C 1.372 178.590 177.300 -0.137 0.000 1.153 989 P CA 1.399 64.195 63.100 -0.507 0.000 0.858 989 P CB -0.123 31.253 31.700 -0.540 0.000 0.789 990 D N -1.417 118.930 120.400 -0.088 0.000 2.178 990 D HA -0.184 4.454 4.640 -0.003 0.000 0.201 990 D C 1.638 178.149 176.300 0.352 0.000 0.980 990 D CA 1.247 55.398 54.000 0.251 0.000 0.842 990 D CB -1.285 39.761 40.800 0.411 0.000 0.948 990 D HN 0.114 nan 8.370 nan 0.000 0.472 991 F N 0.776 120.747 119.950 0.035 0.000 2.128 991 F HA 0.156 4.681 4.527 -0.003 0.000 0.295 991 F C 2.474 178.275 175.800 0.000 0.000 1.100 991 F CA 0.043 58.106 58.000 0.105 0.000 1.260 991 F CB -1.036 38.101 39.000 0.229 0.000 1.009 991 F HN -0.040 nan 8.300 nan 0.000 0.476 992 L N -1.470 119.857 121.223 0.172 0.000 2.265 992 L HA -0.233 4.105 4.340 -0.003 0.000 0.215 992 L C 2.401 179.316 176.870 0.075 0.000 1.117 992 L CA 0.773 55.653 54.840 0.067 0.000 0.782 992 L CB -0.668 41.369 42.059 -0.037 0.000 0.914 992 L HN 0.030 nan 8.230 nan 0.000 0.441 993 F N 0.082 120.017 119.950 -0.024 0.000 2.186 993 F HA -0.169 4.356 4.527 -0.003 0.000 0.299 993 F C 2.173 177.951 175.800 -0.036 0.000 1.090 993 F CA 1.307 59.294 58.000 -0.022 0.000 1.307 993 F CB -0.170 38.828 39.000 -0.003 0.000 1.019 993 F HN -0.231 nan 8.300 nan 0.000 0.489 994 V N 0.567 120.427 119.914 -0.089 0.000 2.594 994 V HA -0.296 3.822 4.120 -0.003 0.000 0.253 994 V C 2.004 177.951 176.094 -0.245 0.000 1.069 994 V CA 1.970 64.108 62.300 -0.270 0.000 1.082 994 V CB -0.784 30.662 31.823 -0.628 0.000 0.680 994 V HN 0.366 nan 8.190 nan 0.000 0.469 995 M N 0.056 119.565 119.600 -0.151 0.000 2.495 995 M HA 0.360 4.837 4.480 -0.003 0.000 0.237 995 M C 1.227 177.559 176.300 0.054 0.000 1.131 995 M CA 0.747 56.042 55.300 -0.010 0.000 1.032 995 M CB 0.345 32.989 32.600 0.073 0.000 1.513 995 M HN 0.399 nan 8.290 nan 0.000 0.488 996 G N 1.745 110.486 108.800 -0.098 0.000 2.341 996 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.278 996 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.278 996 G C -0.213 174.645 174.900 -0.071 0.000 1.111 996 G CA 0.034 45.062 45.100 -0.120 0.000 0.982 996 G HN 0.384 nan 8.290 nan 0.000 0.502 997 T N 0.075 114.585 114.554 -0.073 0.000 3.233 997 T HA 0.432 4.780 4.350 -0.003 0.000 0.324 997 T C 1.072 175.769 174.700 -0.005 0.000 0.992 997 T CA 0.436 62.494 62.100 -0.070 0.000 1.414 997 T CB 1.119 69.877 68.868 -0.183 0.000 0.935 997 T HN 0.415 nan 8.240 nan 0.000 0.544 998 S N 1.881 117.620 115.700 0.064 0.000 2.356 998 S HA 0.068 4.536 4.470 -0.003 0.000 0.223 998 S C 1.536 176.159 174.600 0.038 0.000 1.032 998 S CA 1.747 60.031 58.200 0.139 0.000 1.005 998 S CB -0.172 63.125 63.200 0.161 0.000 0.867 998 S HN 0.811 nan 8.310 nan 0.000 0.449 999 G N 0.363 109.158 108.800 -0.008 0.000 2.695 999 G HA2 0.355 4.313 3.960 -0.003 0.000 0.213 999 G HA3 0.355 4.313 3.960 -0.003 0.000 0.213 999 G C -0.422 174.422 174.900 -0.095 0.000 1.406 999 G CA -0.471 44.606 45.100 -0.039 0.000 1.049 999 G HN 0.244 nan 8.290 nan 0.000 0.573 1000 K N 0.826 121.170 120.400 -0.094 0.000 2.827 1000 K HA 0.146 4.464 4.320 -0.003 0.000 0.222 1000 K C -0.009 176.513 176.600 -0.129 0.000 1.114 1000 K CA -0.049 56.161 56.287 -0.129 0.000 1.206 1000 K CB -0.037 32.410 32.500 -0.089 0.000 1.035 1000 K HN 0.597 nan 8.250 nan 0.000 0.464 1001 K N -0.373 119.947 120.400 -0.134 0.000 2.235 1001 K HA 0.261 4.579 4.320 -0.003 0.000 0.266 1001 K C -0.052 176.464 176.600 -0.140 0.000 0.980 1001 K CA -0.590 55.637 56.287 -0.099 0.000 0.849 1001 K CB 1.431 33.898 32.500 -0.054 0.000 1.098 1001 K HN -0.171 nan 8.250 nan 0.000 0.445 1002 T N 1.297 115.808 114.554 -0.072 0.000 2.937 1002 T HA -0.002 4.346 4.350 -0.003 0.000 0.316 1002 T C -0.113 174.620 174.700 0.055 0.000 1.079 1002 T CA 0.225 62.340 62.100 0.025 0.000 1.131 1002 T CB 0.488 69.456 68.868 0.167 0.000 1.000 1002 T HN 0.741 nan 8.240 nan 0.000 0.549 1003 S N 2.529 118.328 115.700 0.164 0.000 2.740 1003 S HA 0.502 4.970 4.470 -0.003 0.000 0.300 1003 S C 0.691 175.384 174.600 0.154 0.000 1.147 1003 S CA -0.803 57.474 58.200 0.128 0.000 0.871 1003 S CB 1.159 64.421 63.200 0.104 0.000 1.173 1003 S HN 0.647 nan 8.310 nan 0.000 0.510 1004 L N 1.812 123.068 121.223 0.055 0.000 2.005 1004 L HA 0.098 4.436 4.340 -0.003 0.000 0.207 1004 L C 2.190 179.085 176.870 0.041 0.000 1.072 1004 L CA 2.193 57.025 54.840 -0.013 0.000 0.744 1004 L CB -1.250 40.718 42.059 -0.151 0.000 0.895 1004 L HN 0.825 nan 8.230 nan 0.000 0.433 1005 H N -1.722 117.401 119.070 0.087 0.000 2.389 1005 H HA -0.128 4.426 4.556 -0.003 0.000 0.299 1005 H C 2.046 177.458 175.328 0.140 0.000 1.081 1005 H CA 1.568 57.664 56.048 0.081 0.000 1.345 1005 H CB -0.430 29.366 29.762 0.057 0.000 1.393 1005 H HN 0.382 nan 8.280 nan 0.000 0.520 1006 F N 2.102 122.159 119.950 0.177 0.000 2.095 1006 F HA -0.223 4.302 4.527 -0.003 0.000 0.298 1006 F C 2.418 178.355 175.800 0.228 0.000 1.104 1006 F CA 1.548 59.653 58.000 0.175 0.000 1.232 1006 F CB -0.174 38.888 39.000 0.103 0.000 0.987 1006 F HN 0.102 nan 8.300 nan 0.000 0.475 1007 Q N -0.402 119.473 119.800 0.125 0.000 2.119 1007 Q HA -0.230 4.108 4.340 -0.003 0.000 0.201 1007 Q C 2.150 178.123 176.000 -0.045 0.000 0.972 1007 Q CA 1.517 57.323 55.803 0.006 0.000 0.847 1007 Q CB -0.255 28.523 28.738 0.066 0.000 0.903 1007 Q HN 0.169 nan 8.270 nan 0.000 0.433 1008 K N 1.113 121.522 120.400 0.016 0.000 2.032 1008 K HA -0.185 4.132 4.320 -0.003 0.000 0.209 1008 K C 1.579 178.107 176.600 -0.120 0.000 1.048 1008 K CA 1.375 57.643 56.287 -0.031 0.000 0.927 1008 K CB -0.592 31.938 32.500 0.049 0.000 0.712 1008 K HN 0.212 nan 8.250 nan 0.000 0.441 1009 F N 1.141 120.951 119.950 -0.233 0.000 2.084 1009 F HA -0.126 4.399 4.527 -0.004 0.000 0.296 1009 F C 2.256 177.878 175.800 -0.296 0.000 1.111 1009 F CA 1.842 59.673 58.000 -0.282 0.000 1.224 1009 F CB -0.647 38.220 39.000 -0.222 0.000 0.991 1009 F HN 0.157 nan 8.300 nan 0.000 0.471 1010 Q N -0.060 119.484 119.800 -0.427 0.000 2.217 1010 Q HA -0.293 4.045 4.340 -0.003 0.000 0.209 1010 Q C 1.743 177.542 176.000 -0.336 0.000 0.988 1010 Q CA 2.231 57.755 55.803 -0.465 0.000 0.878 1010 Q CB -0.340 28.197 28.738 -0.335 0.000 0.909 1010 Q HN 0.616 nan 8.270 nan 0.000 0.424 1011 D N -1.552 118.692 120.400 -0.259 0.000 2.162 1011 D HA -0.091 4.547 4.640 -0.003 0.000 0.203 1011 D C 1.594 177.756 176.300 -0.230 0.000 0.967 1011 D CA 0.750 54.641 54.000 -0.182 0.000 0.840 1011 D CB 0.204 40.936 40.800 -0.113 0.000 0.972 1011 D HN 0.081 nan 8.370 nan 0.000 0.482 1012 V N -0.033 119.693 119.914 -0.313 0.000 2.407 1012 V HA -0.250 3.868 4.120 -0.003 0.000 0.248 1012 V C 2.635 178.483 176.094 -0.410 0.000 1.055 1012 V CA 1.182 63.286 62.300 -0.327 0.000 1.049 1012 V CB -0.494 31.090 31.823 -0.399 0.000 0.662 1012 V HN 0.439 nan 8.190 nan 0.000 0.455 1013 C N -0.188 118.792 119.300 -0.533 0.000 2.581 1013 C HA -0.141 4.317 4.460 -0.003 0.000 0.287 1013 C C 2.703 177.413 174.990 -0.468 0.000 1.241 1013 C CA 1.336 60.027 59.018 -0.545 0.000 1.747 1013 C CB -0.910 26.574 27.740 -0.427 0.000 2.090 1013 C HN 0.447 nan 8.230 nan 0.000 0.460 1014 V N 1.234 120.976 119.914 -0.286 0.000 2.313 1014 V HA -0.345 3.773 4.120 -0.003 0.000 0.253 1014 V C 2.329 178.353 176.094 -0.117 0.000 1.070 1014 V CA 2.439 64.666 62.300 -0.121 0.000 1.057 1014 V CB -0.918 30.901 31.823 -0.007 0.000 0.653 1014 V HN 0.565 nan 8.190 nan 0.000 0.450 1015 K N 0.106 120.408 120.400 -0.163 0.000 1.978 1015 K HA -0.182 4.136 4.320 -0.003 0.000 0.214 1015 K C 2.339 178.838 176.600 -0.168 0.000 1.049 1015 K CA 1.696 57.899 56.287 -0.140 0.000 0.939 1015 K CB -0.482 31.931 32.500 -0.145 0.000 0.721 1015 K HN 0.451 nan 8.250 nan 0.000 0.441 1016 A N 0.244 122.882 122.820 -0.303 0.000 1.933 1016 A HA -0.214 4.103 4.320 -0.003 0.000 0.218 1016 A C 2.065 179.659 177.584 0.017 0.000 1.175 1016 A CA 1.569 53.397 52.037 -0.349 0.000 0.628 1016 A CB -0.900 17.589 19.000 -0.852 0.000 0.814 1016 A HN 0.559 nan 8.150 nan 0.000 0.444 1017 Y N 0.678 120.792 120.300 -0.309 0.000 2.070 1017 Y HA -0.219 4.329 4.550 -0.003 0.000 0.280 1017 Y C 1.993 177.815 175.900 -0.129 0.000 1.148 1017 Y CA 1.961 59.888 58.100 -0.289 0.000 1.125 1017 Y CB -0.616 37.462 38.460 -0.636 0.000 0.975 1017 Y HN 0.225 nan 8.280 nan 0.000 0.492 1018 L N -0.304 120.751 121.223 -0.280 0.000 2.046 1018 L HA -0.209 4.129 4.340 -0.003 0.000 0.208 1018 L C 2.755 179.389 176.870 -0.395 0.000 1.077 1018 L CA 1.190 55.800 54.840 -0.383 0.000 0.747 1018 L CB -1.082 40.843 42.059 -0.224 0.000 0.896 1018 L HN 0.314 nan 8.230 nan 0.000 0.432 1019 A N -0.055 122.672 122.820 -0.155 0.000 2.024 1019 A HA -0.154 4.164 4.320 -0.003 0.000 0.220 1019 A C 2.261 179.867 177.584 0.035 0.000 1.164 1019 A CA 1.379 53.416 52.037 -0.000 0.000 0.643 1019 A CB -0.540 18.630 19.000 0.282 0.000 0.806 1019 A HN 0.382 nan 8.150 nan 0.000 0.451 1020 L N -1.340 119.878 121.223 -0.010 0.000 2.095 1020 L HA -0.118 4.220 4.340 -0.003 0.000 0.204 1020 L C 2.753 179.586 176.870 -0.062 0.000 1.080 1020 L CA 1.128 55.934 54.840 -0.057 0.000 0.759 1020 L CB -0.605 41.418 42.059 -0.060 0.000 0.914 1020 L HN 0.393 nan 8.230 nan 0.000 0.439 1021 R N -0.388 119.975 120.500 -0.229 0.000 2.117 1021 R HA -0.211 4.127 4.340 -0.003 0.000 0.243 1021 R C 1.898 178.164 176.300 -0.057 0.000 1.143 1021 R CA 1.438 57.414 56.100 -0.205 0.000 0.968 1021 R CB -0.741 29.357 30.300 -0.337 0.000 0.863 1021 R HN 0.518 nan 8.270 nan 0.000 0.444 1022 H N -0.853 118.215 119.070 -0.005 0.000 2.561 1022 H HA -0.090 4.464 4.556 -0.003 0.000 0.289 1022 H C 0.650 175.848 175.328 -0.217 0.000 1.054 1022 H CA 0.572 56.579 56.048 -0.068 0.000 1.210 1022 H CB 0.058 29.803 29.762 -0.028 0.000 1.353 1022 H HN 0.402 nan 8.280 nan 0.000 0.601 1023 H N -1.962 117.115 119.070 0.012 0.000 2.885 1023 H HA 0.080 4.634 4.556 -0.003 0.000 0.254 1023 H C 1.247 176.550 175.328 -0.041 0.000 1.185 1023 H CA 0.082 56.117 56.048 -0.022 0.000 1.029 1023 H CB 0.804 30.540 29.762 -0.043 0.000 1.743 1023 H HN 0.217 nan 8.280 nan 0.000 0.632 1024 T N 1.719 116.303 114.554 0.050 0.000 2.635 1024 T HA -0.252 4.096 4.350 -0.003 0.000 0.265 1024 T C 1.860 176.569 174.700 0.014 0.000 1.058 1024 T CA 2.162 64.264 62.100 0.002 0.000 1.162 1024 T CB -0.085 68.769 68.868 -0.023 0.000 0.859 1024 T HN 0.407 nan 8.240 nan 0.000 0.449 1025 N N 0.754 119.463 118.700 0.015 0.000 2.166 1025 N HA 0.016 4.754 4.740 -0.003 0.000 0.186 1025 N C 1.744 177.271 175.510 0.028 0.000 1.019 1025 N CA 0.578 53.639 53.050 0.019 0.000 0.856 1025 N CB -0.594 37.899 38.487 0.010 0.000 0.993 1025 N HN 0.302 nan 8.380 nan 0.000 0.426 1026 L N -0.041 121.204 121.223 0.037 0.000 2.017 1026 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 1026 L C 1.500 178.396 176.870 0.042 0.000 1.073 1026 L CA 1.250 56.109 54.840 0.032 0.000 0.745 1026 L CB -0.253 41.844 42.059 0.063 0.000 0.894 1026 L HN 0.130 nan 8.230 nan 0.000 0.432 1027 L N -0.021 121.228 121.223 0.043 0.000 2.083 1027 L HA -0.259 4.079 4.340 -0.003 0.000 0.209 1027 L C 2.557 179.484 176.870 0.095 0.000 1.083 1027 L CA 1.470 56.339 54.840 0.047 0.000 0.752 1027 L CB -1.165 40.896 42.059 0.004 0.000 0.899 1027 L HN 0.229 nan 8.230 nan 0.000 0.433 1028 I N -0.828 119.785 120.570 0.072 0.000 2.127 1028 I HA -0.316 3.852 4.170 -0.003 0.000 0.241 1028 I C 2.518 178.718 176.117 0.139 0.000 1.075 1028 I CA 1.435 62.795 61.300 0.100 0.000 1.334 1028 I CB -0.797 37.236 38.000 0.054 0.000 1.040 1028 I HN 0.200 nan 8.210 nan 0.000 0.405 1029 I N 0.633 121.253 120.570 0.084 0.000 2.493 1029 I HA -0.213 3.955 4.170 -0.003 0.000 0.254 1029 I C 2.433 178.589 176.117 0.064 0.000 1.160 1029 I CA 1.162 62.497 61.300 0.059 0.000 1.445 1029 I CB -0.215 37.802 38.000 0.029 0.000 1.086 1029 I HN 0.176 nan 8.210 nan 0.000 0.433 1030 L N -0.766 120.507 121.223 0.083 0.000 2.072 1030 L HA -0.234 4.104 4.340 -0.003 0.000 0.205 1030 L C 2.495 179.413 176.870 0.080 0.000 1.079 1030 L CA 1.207 56.093 54.840 0.076 0.000 0.752 1030 L CB -0.709 41.401 42.059 0.085 0.000 0.906 1030 L HN 0.138 nan 8.230 nan 0.000 0.436 1031 F N -0.029 119.924 119.950 0.005 0.000 2.186 1031 F HA -0.224 4.301 4.527 -0.003 0.000 0.299 1031 F C 2.802 178.610 175.800 0.014 0.000 1.090 1031 F CA 1.590 59.596 58.000 0.010 0.000 1.307 1031 F CB -0.143 38.873 39.000 0.027 0.000 1.019 1031 F HN -0.031 nan 8.300 nan 0.000 0.489 1032 S N -0.133 115.608 115.700 0.067 0.000 2.406 1032 S HA -0.154 4.314 4.470 -0.003 0.000 0.228 1032 S C 2.063 176.623 174.600 -0.067 0.000 1.020 1032 S CA 1.235 59.426 58.200 -0.016 0.000 0.965 1032 S CB -0.261 62.973 63.200 0.057 0.000 0.798 1032 S HN 0.484 nan 8.310 nan 0.000 0.488 1033 M N 0.375 119.962 119.600 -0.022 0.000 2.156 1033 M HA -0.001 4.477 4.480 -0.003 0.000 0.264 1033 M C 2.367 178.658 176.300 -0.016 0.000 1.067 1033 M CA 1.388 56.716 55.300 0.048 0.000 1.131 1033 M CB -0.348 32.312 32.600 0.100 0.000 1.368 1033 M HN 0.436 nan 8.290 nan 0.000 0.416 1034 M N 0.724 120.258 119.600 -0.110 0.000 2.073 1034 M HA -0.272 4.206 4.480 -0.003 0.000 0.258 1034 M C 1.920 178.097 176.300 -0.205 0.000 1.070 1034 M CA 1.906 57.101 55.300 -0.175 0.000 1.103 1034 M CB -0.240 32.216 32.600 -0.239 0.000 1.321 1034 M HN 0.268 nan 8.290 nan 0.000 0.405 1035 L N -0.780 120.264 121.223 -0.299 0.000 2.191 1035 L HA -0.214 4.124 4.340 -0.003 0.000 0.212 1035 L C 2.412 179.213 176.870 -0.115 0.000 1.103 1035 L CA 0.990 55.689 54.840 -0.235 0.000 0.769 1035 L CB -0.543 41.350 42.059 -0.277 0.000 0.908 1035 L HN 0.482 nan 8.230 nan 0.000 0.438 1036 M N -0.892 118.669 119.600 -0.065 0.000 2.447 1036 M HA -0.074 4.404 4.480 -0.003 0.000 0.264 1036 M C 1.877 178.164 176.300 -0.021 0.000 1.095 1036 M CA 1.533 56.838 55.300 0.008 0.000 1.125 1036 M CB 0.113 32.789 32.600 0.128 0.000 1.389 1036 M HN 0.351 nan 8.290 nan 0.000 0.459 1037 T N -5.397 109.113 114.554 -0.073 0.000 2.975 1037 T HA 0.260 4.608 4.350 -0.003 0.000 0.261 1037 T C 1.393 176.013 174.700 -0.134 0.000 0.984 1037 T CA 0.401 62.414 62.100 -0.145 0.000 0.911 1037 T CB 0.288 69.026 68.868 -0.217 0.000 1.127 1037 T HN 0.295 nan 8.240 nan 0.000 0.514 1038 G N 0.858 109.587 108.800 -0.119 0.000 2.784 1038 G HA2 0.389 4.346 3.960 -0.003 0.000 0.208 1038 G HA3 0.389 4.346 3.960 -0.003 0.000 0.208 1038 G C 0.212 175.060 174.900 -0.086 0.000 1.120 1038 G CA -0.294 44.739 45.100 -0.111 0.000 0.774 1038 G HN 0.366 nan 8.290 nan 0.000 0.528 1039 M N 1.030 120.582 119.600 -0.080 0.000 2.144 1039 M HA 0.406 4.884 4.480 -0.003 0.000 0.356 1039 M C -1.708 174.565 176.300 -0.045 0.000 1.217 1039 M CA -2.648 52.620 55.300 -0.053 0.000 1.087 1039 M CB 2.464 35.036 32.600 -0.046 0.000 1.609 1039 M HN -0.193 nan 8.290 nan 0.000 0.467 1040 P HA -0.089 nan 4.420 nan 0.000 0.218 1040 P C -0.249 177.038 177.300 -0.022 0.000 1.152 1040 P CA 0.703 63.784 63.100 -0.032 0.000 0.826 1040 P CB 0.020 31.712 31.700 -0.014 0.000 0.790 1041 Q N 0.734 120.533 119.800 -0.003 0.000 2.417 1041 Q HA 0.056 4.394 4.340 -0.003 0.000 0.241 1041 Q C -0.233 175.783 176.000 0.026 0.000 1.008 1041 Q CA -0.045 55.764 55.803 0.011 0.000 0.901 1041 Q CB 0.212 28.966 28.738 0.027 0.000 1.259 1041 Q HN 0.169 nan 8.270 nan 0.000 0.489 1042 L N 3.089 124.340 121.223 0.046 0.000 2.418 1042 L HA 0.131 4.469 4.340 -0.003 0.000 0.274 1042 L C 0.755 177.754 176.870 0.215 0.000 1.135 1042 L CA -0.184 54.736 54.840 0.134 0.000 0.870 1042 L CB 0.423 42.536 42.059 0.089 0.000 1.154 1042 L HN 0.837 nan 8.230 nan 0.000 0.462 1043 T N 0.087 114.737 114.554 0.160 0.000 2.847 1043 T HA 0.579 4.927 4.350 -0.003 0.000 0.279 1043 T C 0.211 174.939 174.700 0.047 0.000 0.984 1043 T CA -0.755 61.401 62.100 0.094 0.000 0.988 1043 T CB 1.792 70.665 68.868 0.008 0.000 1.040 1043 T HN 0.627 nan 8.240 nan 0.000 0.528 1044 S N -0.225 115.460 115.700 -0.024 0.000 2.667 1044 S HA 0.507 4.975 4.470 -0.003 0.000 0.292 1044 S C 0.522 175.056 174.600 -0.110 0.000 1.126 1044 S CA -1.144 56.952 58.200 -0.174 0.000 0.881 1044 S CB 1.815 64.998 63.200 -0.028 0.000 1.132 1044 S HN 0.628 nan 8.310 nan 0.000 0.492 1045 K N 1.331 121.646 120.400 -0.142 0.000 2.032 1045 K HA -0.065 4.253 4.320 -0.003 0.000 0.209 1045 K C 1.614 178.226 176.600 0.019 0.000 1.048 1045 K CA 1.890 58.141 56.287 -0.060 0.000 0.927 1045 K CB -0.724 31.735 32.500 -0.068 0.000 0.712 1045 K HN 0.738 nan 8.250 nan 0.000 0.441 1046 E N 1.093 121.310 120.200 0.028 0.000 2.219 1046 E HA -0.206 4.142 4.350 -0.003 0.000 0.198 1046 E C 1.500 178.176 176.600 0.127 0.000 0.998 1046 E CA 1.471 57.916 56.400 0.074 0.000 0.818 1046 E CB -0.171 29.574 29.700 0.075 0.000 0.741 1046 E HN 0.300 nan 8.360 nan 0.000 0.477 1047 D N 0.045 120.520 120.400 0.124 0.000 2.103 1047 D HA -0.088 4.550 4.640 -0.003 0.000 0.199 1047 D C 1.935 178.426 176.300 0.319 0.000 0.978 1047 D CA 0.764 54.877 54.000 0.187 0.000 0.829 1047 D CB 0.062 40.935 40.800 0.121 0.000 0.981 1047 D HN 0.117 nan 8.370 nan 0.000 0.464 1048 I N 1.527 122.253 120.570 0.260 0.000 2.142 1048 I HA -0.188 3.980 4.170 -0.003 0.000 0.240 1048 I C 2.193 178.485 176.117 0.292 0.000 1.078 1048 I CA 1.022 62.548 61.300 0.377 0.000 1.343 1048 I CB -1.379 36.733 38.000 0.186 0.000 1.046 1048 I HN 0.060 nan 8.210 nan 0.000 0.405 1049 E N 0.141 120.439 120.200 0.163 0.000 2.253 1049 E HA -0.306 4.042 4.350 -0.003 0.000 0.202 1049 E C 2.121 178.746 176.600 0.043 0.000 1.014 1049 E CA 1.617 58.067 56.400 0.082 0.000 0.823 1049 E CB -0.499 29.236 29.700 0.059 0.000 0.736 1049 E HN 0.572 nan 8.360 nan 0.000 0.478 1050 Y N 1.057 121.364 120.300 0.012 0.000 2.102 1050 Y HA -0.309 4.239 4.550 -0.003 0.000 0.280 1050 Y C 2.206 178.003 175.900 -0.172 0.000 1.178 1050 Y CA 1.921 59.995 58.100 -0.043 0.000 1.146 1050 Y CB -0.288 38.163 38.460 -0.015 0.000 0.968 1050 Y HN 0.051 nan 8.280 nan 0.000 0.504 1051 I N 0.296 120.742 120.570 -0.207 0.000 2.361 1051 I HA -0.268 3.900 4.170 -0.003 0.000 0.251 1051 I C 2.716 178.666 176.117 -0.278 0.000 1.133 1051 I CA 1.517 62.584 61.300 -0.388 0.000 1.413 1051 I CB -0.400 37.181 38.000 -0.699 0.000 1.073 1051 I HN 0.232 nan 8.210 nan 0.000 0.424 1052 R N 0.316 120.704 120.500 -0.186 0.000 2.092 1052 R HA -0.156 4.182 4.340 -0.003 0.000 0.231 1052 R C 1.800 178.005 176.300 -0.159 0.000 1.119 1052 R CA 1.818 57.842 56.100 -0.127 0.000 0.970 1052 R CB -0.193 30.068 30.300 -0.064 0.000 0.864 1052 R HN 0.406 nan 8.270 nan 0.000 0.440 1053 D N 0.336 120.600 120.400 -0.227 0.000 2.091 1053 D HA -0.095 4.543 4.640 -0.003 0.000 0.199 1053 D C 1.781 177.966 176.300 -0.192 0.000 0.980 1053 D CA 1.444 55.317 54.000 -0.212 0.000 0.831 1053 D CB -0.396 40.270 40.800 -0.222 0.000 0.987 1053 D HN 0.315 nan 8.370 nan 0.000 0.460 1054 A N 0.801 123.392 122.820 -0.381 0.000 2.042 1054 A HA -0.158 4.160 4.320 -0.003 0.000 0.222 1054 A C 2.173 179.774 177.584 0.029 0.000 1.167 1054 A CA 1.106 52.965 52.037 -0.296 0.000 0.649 1054 A CB -0.683 17.890 19.000 -0.712 0.000 0.809 1054 A HN 0.253 nan 8.150 nan 0.000 0.457 1055 L N 0.100 121.299 121.223 -0.040 0.000 2.628 1055 L HA 0.050 4.388 4.340 -0.003 0.000 0.229 1055 L C 0.892 177.761 176.870 -0.003 0.000 1.137 1055 L CA 0.529 55.377 54.840 0.013 0.000 0.909 1055 L CB -0.437 41.577 42.059 -0.075 0.000 1.137 1055 L HN 0.603 nan 8.230 nan 0.000 0.470 1056 T N -1.785 112.752 114.554 -0.028 0.000 3.219 1056 T HA -0.171 4.177 4.350 -0.003 0.000 0.433 1056 T C 0.127 174.780 174.700 -0.079 0.000 0.771 1056 T CA -0.193 61.843 62.100 -0.107 0.000 2.178 1056 T CB -2.761 66.034 68.868 -0.123 0.000 1.666 1056 T HN -0.013 nan 8.240 nan 0.000 0.607 1057 V N 1.709 121.578 119.914 -0.075 0.000 2.963 1057 V HA 0.532 4.650 4.120 -0.003 0.000 0.306 1057 V C 2.146 178.211 176.094 -0.049 0.000 1.077 1057 V CA 0.791 63.058 62.300 -0.055 0.000 1.124 1057 V CB 0.561 32.356 31.823 -0.047 0.000 0.987 1057 V HN 1.857 nan 8.190 nan 0.000 0.487 1058 G N 2.454 111.233 108.800 -0.034 0.000 2.168 1058 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.263 1058 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.263 1058 G C 0.065 174.950 174.900 -0.026 0.000 0.977 1058 G CA 0.642 45.727 45.100 -0.025 0.000 0.659 1058 G HN 0.652 nan 8.290 nan 0.000 0.533 1059 K N 0.750 121.131 120.400 -0.032 0.000 2.123 1059 K HA 0.712 5.030 4.320 -0.003 0.000 0.248 1059 K C 0.689 177.283 176.600 -0.010 0.000 0.969 1059 K CA 0.050 56.322 56.287 -0.025 0.000 0.882 1059 K CB 1.290 33.765 32.500 -0.042 0.000 1.080 1059 K HN 0.405 nan 8.250 nan 0.000 0.441 1060 S N 0.276 115.978 115.700 0.004 0.000 2.610 1060 S HA 0.192 4.660 4.470 -0.003 0.000 0.273 1060 S C 0.920 175.535 174.600 0.025 0.000 1.274 1060 S CA -0.417 57.791 58.200 0.014 0.000 1.023 1060 S CB 1.289 64.500 63.200 0.019 0.000 0.962 1060 S HN 0.654 nan 8.310 nan 0.000 0.523 1061 E N 0.772 120.986 120.200 0.024 0.000 2.114 1061 E HA -0.213 4.135 4.350 -0.003 0.000 0.199 1061 E C 1.655 178.290 176.600 0.059 0.000 1.008 1061 E CA 1.577 57.994 56.400 0.028 0.000 0.810 1061 E CB -0.004 29.712 29.700 0.026 0.000 0.739 1061 E HN 0.679 nan 8.360 nan 0.000 0.456 1062 E N 0.777 121.009 120.200 0.054 0.000 2.013 1062 E HA -0.221 4.127 4.350 -0.003 0.000 0.202 1062 E C 1.897 178.550 176.600 0.089 0.000 1.018 1062 E CA 1.009 57.448 56.400 0.064 0.000 0.834 1062 E CB -0.562 29.167 29.700 0.049 0.000 0.770 1062 E HN 0.281 nan 8.360 nan 0.000 0.459 1063 D N 0.222 120.668 120.400 0.078 0.000 2.157 1063 D HA -0.210 4.428 4.640 -0.003 0.000 0.191 1063 D C 1.772 178.169 176.300 0.160 0.000 1.004 1063 D CA 1.742 55.798 54.000 0.094 0.000 0.854 1063 D CB -0.087 40.746 40.800 0.056 0.000 0.936 1063 D HN 0.159 nan 8.370 nan 0.000 0.446 1064 A N 1.293 124.215 122.820 0.169 0.000 1.849 1064 A HA -0.270 4.048 4.320 -0.003 0.000 0.217 1064 A C 2.124 179.951 177.584 0.404 0.000 1.202 1064 A CA 2.617 54.840 52.037 0.310 0.000 0.629 1064 A CB -0.827 18.299 19.000 0.211 0.000 0.834 1064 A HN 0.310 nan 8.150 nan 0.000 0.447 1065 K N -0.309 120.257 120.400 0.276 0.000 2.097 1065 K HA -0.325 3.993 4.320 -0.003 0.000 0.214 1065 K C 2.042 178.795 176.600 0.254 0.000 1.052 1065 K CA 2.357 58.796 56.287 0.254 0.000 0.932 1065 K CB -0.229 32.358 32.500 0.145 0.000 0.716 1065 K HN 0.431 nan 8.250 nan 0.000 0.455 1066 K N -0.377 120.152 120.400 0.214 0.000 2.002 1066 K HA -0.181 4.137 4.320 -0.003 0.000 0.209 1066 K C 2.015 178.739 176.600 0.207 0.000 1.048 1066 K CA 1.900 58.293 56.287 0.177 0.000 0.930 1066 K CB -0.511 32.076 32.500 0.145 0.000 0.714 1066 K HN 0.283 nan 8.250 nan 0.000 0.438 1067 Y N 0.018 120.393 120.300 0.124 0.000 2.062 1067 Y HA -0.407 4.141 4.550 -0.003 0.000 0.276 1067 Y C 2.092 178.009 175.900 0.028 0.000 1.189 1067 Y CA 1.846 60.008 58.100 0.103 0.000 1.130 1067 Y CB -0.268 38.308 38.460 0.194 0.000 0.959 1067 Y HN 0.085 nan 8.280 nan 0.000 0.499 1068 F N 0.280 120.182 119.950 -0.080 0.000 2.075 1068 F HA -0.269 4.256 4.527 -0.003 0.000 0.297 1068 F C 2.066 177.739 175.800 -0.212 0.000 1.113 1068 F CA 1.874 59.660 58.000 -0.358 0.000 1.218 1068 F CB -0.724 37.980 39.000 -0.494 0.000 0.984 1068 F HN 0.021 nan 8.300 nan 0.000 0.472 1069 L N -0.129 121.087 121.223 -0.011 0.000 2.081 1069 L HA -0.283 4.055 4.340 -0.003 0.000 0.212 1069 L C 2.127 178.928 176.870 -0.115 0.000 1.080 1069 L CA 1.504 56.322 54.840 -0.037 0.000 0.754 1069 L CB -0.823 41.267 42.059 0.052 0.000 0.893 1069 L HN 0.131 nan 8.230 nan 0.000 0.433 1070 D N -0.689 119.630 120.400 -0.135 0.000 2.097 1070 D HA -0.172 4.466 4.640 -0.003 0.000 0.195 1070 D C 2.364 178.487 176.300 -0.295 0.000 0.989 1070 D CA 0.919 54.825 54.000 -0.156 0.000 0.827 1070 D CB -0.186 40.551 40.800 -0.104 0.000 0.966 1070 D HN 0.280 nan 8.370 nan 0.000 0.456 1071 Q N 0.263 119.758 119.800 -0.508 0.000 2.135 1071 Q HA -0.097 4.241 4.340 -0.003 0.000 0.204 1071 Q C 2.553 178.175 176.000 -0.629 0.000 0.981 1071 Q CA 0.621 56.013 55.803 -0.685 0.000 0.856 1071 Q CB -0.290 27.820 28.738 -1.048 0.000 0.902 1071 Q HN 0.449 nan 8.270 nan 0.000 0.425 1072 I N 0.599 120.887 120.570 -0.470 0.000 2.454 1072 I HA -0.240 3.928 4.170 -0.003 0.000 0.254 1072 I C 2.270 178.313 176.117 -0.124 0.000 1.156 1072 I CA 0.850 62.039 61.300 -0.185 0.000 1.433 1072 I CB -0.098 37.912 38.000 0.015 0.000 1.082 1072 I HN 0.134 nan 8.210 nan 0.000 0.432 1073 E N 0.948 121.062 120.200 -0.144 0.000 2.046 1073 E HA -0.129 4.219 4.350 -0.003 0.000 0.190 1073 E C 2.180 178.695 176.600 -0.142 0.000 0.982 1073 E CA 1.125 57.472 56.400 -0.088 0.000 0.800 1073 E CB -0.198 29.462 29.700 -0.066 0.000 0.756 1073 E HN 0.209 nan 8.360 nan 0.000 0.449 1074 V N 0.161 119.951 119.914 -0.207 0.000 2.439 1074 V HA -0.382 3.736 4.120 -0.003 0.000 0.253 1074 V C 2.553 178.518 176.094 -0.215 0.000 1.074 1074 V CA 1.762 63.940 62.300 -0.203 0.000 1.076 1074 V CB -0.790 30.882 31.823 -0.252 0.000 0.664 1074 V HN 0.441 nan 8.190 nan 0.000 0.461 1075 C N -0.598 118.535 119.300 -0.279 0.000 2.436 1075 C HA -0.126 4.332 4.460 -0.003 0.000 0.277 1075 C C 2.950 177.837 174.990 -0.172 0.000 1.241 1075 C CA 1.104 59.969 59.018 -0.256 0.000 1.721 1075 C CB -1.012 26.554 27.740 -0.291 0.000 2.043 1075 C HN 0.480 nan 8.230 nan 0.000 0.472 1076 R N 0.295 120.718 120.500 -0.128 0.000 2.237 1076 R HA -0.094 4.244 4.340 -0.003 0.000 0.219 1076 R C 1.213 177.445 176.300 -0.114 0.000 1.080 1076 R CA 1.073 57.098 56.100 -0.125 0.000 0.995 1076 R CB -0.295 29.943 30.300 -0.104 0.000 0.875 1076 R HN 0.585 nan 8.270 nan 0.000 0.462 1077 D N -0.128 120.209 120.400 -0.105 0.000 2.323 1077 D HA -0.043 4.595 4.640 -0.003 0.000 0.209 1077 D C 0.872 177.127 176.300 -0.075 0.000 0.973 1077 D CA 1.052 55.003 54.000 -0.083 0.000 0.874 1077 D CB 0.288 41.042 40.800 -0.076 0.000 0.930 1077 D HN 0.140 nan 8.370 nan 0.000 0.521 1078 K N -0.051 120.296 120.400 -0.089 0.000 2.373 1078 K HA 0.245 4.563 4.320 -0.003 0.000 0.202 1078 K C 1.346 177.911 176.600 -0.057 0.000 1.025 1078 K CA 0.128 56.380 56.287 -0.058 0.000 1.115 1078 K CB 1.428 33.898 32.500 -0.050 0.000 0.858 1078 K HN -0.004 nan 8.250 nan 0.000 0.525 1079 G N 2.104 110.832 108.800 -0.121 0.000 2.678 1079 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.362 1079 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.362 1079 G C 0.396 175.151 174.900 -0.242 0.000 1.169 1079 G CA 1.154 46.129 45.100 -0.209 0.000 0.933 1079 G HN 0.572 nan 8.290 nan 0.000 0.587 1080 W N 1.444 122.767 121.300 0.038 0.000 3.316 1080 W HA 0.373 5.031 4.660 -0.004 0.000 0.327 1080 W C 2.642 179.268 176.519 0.177 0.000 1.232 1080 W CA 0.369 57.796 57.345 0.136 0.000 1.805 1080 W CB 0.039 29.618 29.460 0.198 0.000 1.090 1080 W HN 0.453 nan 8.180 nan 0.000 0.654 1081 T N 1.014 115.734 114.554 0.277 0.000 2.544 1081 T HA -0.291 4.056 4.350 -0.003 0.000 0.264 1081 T C 1.846 176.709 174.700 0.272 0.000 1.096 1081 T CA 2.354 64.585 62.100 0.218 0.000 1.181 1081 T CB -0.856 68.071 68.868 0.098 0.000 0.864 1081 T HN -0.052 nan 8.240 nan 0.000 0.415 1082 V N 1.493 121.537 119.914 0.216 0.000 2.392 1082 V HA -0.185 3.933 4.120 -0.003 0.000 0.249 1082 V C 2.763 179.099 176.094 0.404 0.000 1.059 1082 V CA 1.504 63.933 62.300 0.214 0.000 1.051 1082 V CB -0.811 31.131 31.823 0.199 0.000 0.658 1082 V HN 0.317 nan 8.190 nan 0.000 0.455 1083 Q N -0.423 119.697 119.800 0.533 0.000 2.002 1083 Q HA -0.186 4.152 4.340 -0.003 0.000 0.204 1083 Q C 2.123 178.548 176.000 0.709 0.000 0.988 1083 Q CA 2.025 58.250 55.803 0.705 0.000 0.843 1083 Q CB -0.841 28.361 28.738 0.774 0.000 0.908 1083 Q HN 0.642 nan 8.270 nan 0.000 0.420 1084 F N 1.898 122.150 119.950 0.502 0.000 2.147 1084 F HA -0.290 4.235 4.527 -0.003 0.000 0.301 1084 F C 1.719 177.622 175.800 0.172 0.000 1.084 1084 F CA 1.660 59.763 58.000 0.172 0.000 1.268 1084 F CB -0.265 38.711 39.000 -0.039 0.000 1.009 1084 F HN 0.146 nan 8.300 nan 0.000 0.486 1085 N N -0.527 118.256 118.700 0.139 0.000 2.106 1085 N HA -0.191 4.547 4.740 -0.003 0.000 0.188 1085 N C 1.626 177.097 175.510 -0.065 0.000 1.029 1085 N CA 1.793 54.823 53.050 -0.034 0.000 0.848 1085 N CB -0.814 37.642 38.487 -0.052 0.000 1.007 1085 N HN 0.461 nan 8.380 nan 0.000 0.423 1086 W N 0.105 121.420 121.300 0.025 0.000 2.338 1086 W HA -0.139 4.519 4.660 -0.003 0.000 0.304 1086 W C 1.968 178.325 176.519 -0.269 0.000 1.212 1086 W CA 0.545 57.814 57.345 -0.127 0.000 1.264 1086 W CB -0.610 28.750 29.460 -0.166 0.000 1.142 1086 W HN 0.038 nan 8.180 nan 0.000 0.512 1087 F N 0.305 120.213 119.950 -0.069 0.000 2.269 1087 F HA -0.168 4.357 4.527 -0.003 0.000 0.301 1087 F C 1.846 177.522 175.800 -0.207 0.000 1.082 1087 F CA 1.535 59.458 58.000 -0.129 0.000 1.360 1087 F CB -0.512 38.500 39.000 0.020 0.000 1.041 1087 F HN -0.213 nan 8.300 nan 0.000 0.512 1088 L N -1.166 120.065 121.223 0.013 0.000 2.131 1088 L HA -0.155 4.183 4.340 -0.003 0.000 0.206 1088 L C 2.510 179.375 176.870 -0.008 0.000 1.087 1088 L CA 1.495 56.299 54.840 -0.060 0.000 0.767 1088 L CB -0.838 41.093 42.059 -0.213 0.000 0.917 1088 L HN 0.262 nan 8.230 nan 0.000 0.441 1089 H N -0.445 118.554 119.070 -0.118 0.000 2.276 1089 H HA -0.107 4.447 4.556 -0.003 0.000 0.307 1089 H C 2.215 177.500 175.328 -0.070 0.000 1.061 1089 H CA 0.936 56.926 56.048 -0.097 0.000 1.336 1089 H CB 0.364 30.045 29.762 -0.135 0.000 1.396 1089 H HN 0.028 nan 8.280 nan 0.000 0.503 1090 L N 0.481 121.699 121.223 -0.008 0.000 2.093 1090 L HA -0.114 4.223 4.340 -0.003 0.000 0.208 1090 L C 2.483 179.247 176.870 -0.176 0.000 1.085 1090 L CA 0.866 55.625 54.840 -0.134 0.000 0.755 1090 L CB -0.427 41.507 42.059 -0.207 0.000 0.904 1090 L HN 0.280 nan 8.230 nan 0.000 0.435 1091 V N -1.378 118.352 119.914 -0.307 0.000 2.426 1091 V HA -0.100 4.018 4.120 -0.003 0.000 0.242 1091 V C 1.933 177.851 176.094 -0.294 0.000 1.036 1091 V CA 0.950 62.975 62.300 -0.457 0.000 1.044 1091 V CB -0.327 30.824 31.823 -1.120 0.000 0.688 1091 V HN 0.265 nan 8.190 nan 0.000 0.462 1092 L N 0.775 121.885 121.223 -0.189 0.000 2.592 1092 L HA 0.405 4.743 4.340 -0.003 0.000 0.227 1092 L C 1.698 178.555 176.870 -0.022 0.000 1.127 1092 L CA 0.696 55.496 54.840 -0.067 0.000 0.884 1092 L CB -0.511 41.547 42.059 -0.002 0.000 1.065 1092 L HN 0.546 nan 8.230 nan 0.000 0.457 1093 G N 1.254 110.050 108.800 -0.007 0.000 2.203 1093 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.263 1093 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.263 1093 G C 0.324 175.231 174.900 0.011 0.000 1.012 1093 G CA 0.391 45.509 45.100 0.030 0.000 0.749 1093 G HN 0.342 nan 8.290 nan 0.000 0.512 1094 I N 0.000 120.564 120.570 -0.010 0.000 2.984 1094 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 1094 I CA 0.000 61.266 61.300 -0.056 0.000 1.566 1094 I CB 0.000 37.970 38.000 -0.049 0.000 1.214 1094 I HN 0.000 nan 8.210 nan 0.000 0.494