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 1e7u_1_A DATA FIRST_RESID 143 DATA SEQUENCE ASEETLAFQR QLNALIGYDV TDVSNVHDDE LEFTRRRLVT PRMAEVAGRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLL KKITNNCVFI VIHRSTTSQT IKVSADDTPG DATA SEQUENCE TILQSFFTKM AKXXXXXXXX XXXNERDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRQCLKNGEE IHLVLDTPPD PALDEVRKEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXTV SLWDCDRKFR VKIRGIDIPV LPRTADLTVF VEANIQYGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCGAKXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXQLLY YVNLLLIDHR FLLRHGEYVL HMWQLSGKGX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN YCHPIALPKH RPTXXXXXDR DATA SEQUENCE VRAEMPNQLR 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 IDFGHIXXXX 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 0.016 0.000 1.274 143 A CA 0.000 52.047 52.037 0.017 0.000 0.836 143 A CB 0.000 19.012 19.000 0.019 0.000 0.831 144 S N 1.123 116.832 115.700 0.015 0.000 2.626 144 S HA 0.372 4.841 4.470 -0.003 0.000 0.257 144 S C 0.936 175.547 174.600 0.018 0.000 1.288 144 S CA 0.290 58.497 58.200 0.012 0.000 0.980 144 S CB 0.768 63.972 63.200 0.006 0.000 0.975 144 S HN 0.627 nan 8.310 nan 0.000 0.577 145 E N 0.506 120.716 120.200 0.016 0.000 2.153 145 E HA -0.175 4.174 4.350 -0.003 0.000 0.194 145 E C 1.859 178.478 176.600 0.032 0.000 0.988 145 E CA 1.351 57.763 56.400 0.021 0.000 0.811 145 E CB -0.360 29.350 29.700 0.015 0.000 0.746 145 E HN 0.878 nan 8.360 nan 0.000 0.466 146 E N -0.372 119.843 120.200 0.026 0.000 2.017 146 E HA -0.156 4.193 4.350 -0.003 0.000 0.193 146 E C 1.866 178.509 176.600 0.071 0.000 0.997 146 E CA 2.038 58.457 56.400 0.031 0.000 0.804 146 E CB 0.010 29.707 29.700 -0.004 0.000 0.757 146 E HN 0.117 nan 8.360 nan 0.000 0.448 147 T N 1.767 116.358 114.554 0.063 0.000 2.684 147 T HA -0.178 4.170 4.350 -0.003 0.000 0.267 147 T C 1.949 176.720 174.700 0.119 0.000 1.036 147 T CA 1.510 63.673 62.100 0.105 0.000 1.148 147 T CB -0.309 68.600 68.868 0.067 0.000 0.863 147 T HN 0.157 nan 8.240 nan 0.000 0.436 148 L N 0.732 121.998 121.223 0.072 0.000 2.046 148 L HA -0.117 4.222 4.340 -0.003 0.000 0.208 148 L C 3.115 180.022 176.870 0.061 0.000 1.077 148 L CA 1.305 56.175 54.840 0.051 0.000 0.747 148 L CB -0.794 41.283 42.059 0.030 0.000 0.896 148 L HN 0.264 nan 8.230 nan 0.000 0.432 149 A N -0.111 122.757 122.820 0.080 0.000 1.877 149 A HA -0.271 4.047 4.320 -0.003 0.000 0.216 149 A C 2.179 179.847 177.584 0.140 0.000 1.186 149 A CA 1.604 53.694 52.037 0.089 0.000 0.620 149 A CB -0.850 18.201 19.000 0.085 0.000 0.822 149 A HN 0.369 nan 8.150 nan 0.000 0.443 150 F N 0.652 120.602 119.950 0.001 0.000 2.102 150 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 150 F C 2.422 178.223 175.800 0.002 0.000 1.105 150 F CA 2.172 60.174 58.000 0.002 0.000 1.239 150 F CB -0.665 38.334 39.000 -0.000 0.000 0.991 150 F HN 0.337 nan 8.300 nan 0.000 0.474 151 Q N 0.834 120.612 119.800 -0.036 0.000 2.096 151 Q HA -0.233 4.105 4.340 -0.003 0.000 0.204 151 Q C 2.479 178.400 176.000 -0.131 0.000 0.982 151 Q CA 2.180 57.902 55.803 -0.135 0.000 0.850 151 Q CB -0.559 28.155 28.738 -0.040 0.000 0.901 151 Q HN 0.472 nan 8.270 nan 0.000 0.422 152 R N -0.099 120.364 120.500 -0.061 0.000 2.080 152 R HA -0.249 4.090 4.340 -0.003 0.000 0.236 152 R C 2.358 178.621 176.300 -0.062 0.000 1.137 152 R CA 2.115 58.186 56.100 -0.048 0.000 0.943 152 R CB -0.348 29.945 30.300 -0.012 0.000 0.846 152 R HN 0.660 nan 8.270 nan 0.000 0.431 153 Q N 0.102 119.866 119.800 -0.061 0.000 2.119 153 Q HA -0.149 4.190 4.340 -0.003 0.000 0.201 153 Q C 2.236 178.172 176.000 -0.107 0.000 0.972 153 Q CA 1.437 57.209 55.803 -0.051 0.000 0.847 153 Q CB -0.390 28.349 28.738 0.003 0.000 0.903 153 Q HN 0.399 nan 8.270 nan 0.000 0.433 154 L N 0.969 122.054 121.223 -0.229 0.000 2.046 154 L HA -0.164 4.175 4.340 -0.003 0.000 0.208 154 L C 2.008 178.801 176.870 -0.128 0.000 1.077 154 L CA 1.086 55.786 54.840 -0.233 0.000 0.747 154 L CB -0.638 41.192 42.059 -0.381 0.000 0.896 154 L HN 0.321 nan 8.230 nan 0.000 0.432 155 N N 0.395 119.026 118.700 -0.115 0.000 2.223 155 N HA -0.147 4.591 4.740 -0.003 0.000 0.185 155 N C 1.814 177.295 175.510 -0.049 0.000 1.016 155 N CA 1.448 54.452 53.050 -0.078 0.000 0.863 155 N CB -0.268 38.164 38.487 -0.090 0.000 0.983 155 N HN 0.325 nan 8.380 nan 0.000 0.429 156 A N 0.809 123.604 122.820 -0.041 0.000 1.929 156 A HA 0.027 4.345 4.320 -0.003 0.000 0.216 156 A C 2.323 179.910 177.584 0.006 0.000 1.176 156 A CA 0.678 52.708 52.037 -0.011 0.000 0.628 156 A CB -0.526 18.473 19.000 -0.002 0.000 0.816 156 A HN 0.186 nan 8.150 nan 0.000 0.444 157 L N -0.228 120.996 121.223 0.001 0.000 2.109 157 L HA -0.126 4.212 4.340 -0.003 0.000 0.207 157 L C 2.242 179.091 176.870 -0.034 0.000 1.086 157 L CA 0.620 55.486 54.840 0.042 0.000 0.760 157 L CB -0.397 41.705 42.059 0.072 0.000 0.910 157 L HN 0.300 nan 8.230 nan 0.000 0.437 158 I N -0.056 120.469 120.570 -0.075 0.000 2.353 158 I HA -0.078 4.091 4.170 -0.003 0.000 0.248 158 I C 1.818 177.896 176.117 -0.064 0.000 1.119 158 I CA 1.426 62.651 61.300 -0.125 0.000 1.417 158 I CB -1.626 36.345 38.000 -0.048 0.000 1.078 158 I HN 0.461 nan 8.210 nan 0.000 0.421 159 G N 0.278 109.076 108.800 -0.002 0.000 2.136 159 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.242 159 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.242 159 G C 0.025 174.999 174.900 0.123 0.000 0.989 159 G CA 0.410 45.536 45.100 0.044 0.000 0.682 159 G HN 0.432 nan 8.290 nan 0.000 0.522 160 Y N -0.274 120.003 120.300 -0.039 0.000 2.521 160 Y HA 0.495 5.043 4.550 -0.003 0.000 0.328 160 Y C -1.374 174.503 175.900 -0.038 0.000 1.151 160 Y CA -1.143 56.940 58.100 -0.029 0.000 1.054 160 Y CB 1.761 40.207 38.460 -0.024 0.000 1.338 160 Y HN 0.070 nan 8.280 nan 0.000 0.453 161 D N 3.982 123.934 120.400 -0.746 0.000 2.402 161 D HA 0.149 4.787 4.640 -0.003 0.000 0.235 161 D C 1.123 177.200 176.300 -0.372 0.000 1.226 161 D CA 0.180 53.898 54.000 -0.469 0.000 0.918 161 D CB 0.905 41.449 40.800 -0.426 0.000 1.043 161 D HN 0.510 nan 8.370 nan 0.000 0.506 162 V N 1.979 121.859 119.914 -0.056 0.000 3.026 162 V HA -0.124 3.994 4.120 -0.003 0.000 0.265 162 V C 1.656 177.760 176.094 0.016 0.000 1.121 162 V CA 1.877 64.223 62.300 0.078 0.000 1.142 162 V CB -1.415 30.439 31.823 0.051 0.000 0.730 162 V HN 0.643 nan 8.190 nan 0.000 0.503 163 T N -3.213 111.313 114.554 -0.047 0.000 3.060 163 T HA 0.121 4.469 4.350 -0.003 0.000 0.249 163 T C 0.531 175.206 174.700 -0.042 0.000 1.079 163 T CA 0.268 62.348 62.100 -0.034 0.000 1.013 163 T CB -0.436 68.409 68.868 -0.039 0.000 0.975 163 T HN 0.519 nan 8.240 nan 0.000 0.518 164 D N 1.882 122.232 120.400 -0.083 0.000 2.488 164 D HA 0.169 4.807 4.640 -0.003 0.000 0.238 164 D C 0.889 177.181 176.300 -0.012 0.000 1.138 164 D CA 0.442 54.393 54.000 -0.082 0.000 0.873 164 D CB 1.036 41.730 40.800 -0.178 0.000 1.183 164 D HN 0.232 nan 8.370 nan 0.000 0.458 165 V N 0.849 120.756 119.914 -0.011 0.000 3.017 165 V HA 0.190 4.309 4.120 -0.003 0.000 0.354 165 V C 1.111 177.209 176.094 0.006 0.000 1.389 165 V CA 0.303 62.607 62.300 0.007 0.000 1.163 165 V CB -0.201 31.627 31.823 0.009 0.000 1.178 165 V HN 0.508 nan 8.190 nan 0.000 0.547 166 S N -0.218 115.482 115.700 -0.001 0.000 2.522 166 S HA 0.088 4.556 4.470 -0.003 0.000 0.227 166 S C 1.004 175.604 174.600 -0.000 0.000 0.986 166 S CA 1.119 59.315 58.200 -0.007 0.000 0.929 166 S CB -0.457 62.729 63.200 -0.023 0.000 0.769 166 S HN 0.644 nan 8.310 nan 0.000 0.529 167 N N 0.898 119.608 118.700 0.017 0.000 2.679 167 N HA 0.339 5.077 4.740 -0.003 0.000 0.302 167 N C -0.941 174.583 175.510 0.024 0.000 1.941 167 N CA -0.310 52.750 53.050 0.017 0.000 0.875 167 N CB 1.315 39.813 38.487 0.019 0.000 1.278 167 N HN 0.329 nan 8.380 nan 0.000 0.490 168 V N -1.230 118.697 119.914 0.023 0.000 3.147 168 V HA 0.579 4.697 4.120 -0.003 0.000 0.306 168 V C 0.231 176.342 176.094 0.029 0.000 1.209 168 V CA -0.741 61.541 62.300 -0.029 0.000 1.023 168 V CB 1.909 33.708 31.823 -0.040 0.000 1.059 168 V HN 0.436 nan 8.190 nan 0.000 0.435 169 H N -0.035 119.100 119.070 0.108 0.000 3.233 169 H HA 0.469 5.024 4.556 -0.002 0.000 0.263 169 H C -0.618 174.806 175.328 0.160 0.000 1.168 169 H CA 0.405 56.539 56.048 0.144 0.000 1.159 169 H CB 0.932 30.835 29.762 0.234 0.000 1.593 169 H HN 0.884 nan 8.280 nan 0.000 0.580 170 D N 0.359 120.746 120.400 -0.022 0.000 2.768 170 D HA 0.023 4.661 4.640 -0.003 0.000 0.327 170 D C -0.361 175.966 176.300 0.045 0.000 1.302 170 D CA -0.528 53.526 54.000 0.091 0.000 0.897 170 D CB 0.379 41.292 40.800 0.188 0.000 1.420 170 D HN 0.011 nan 8.370 nan 0.000 0.494 171 D N -1.310 119.157 120.400 0.113 0.000 2.525 171 D HA 0.058 4.697 4.640 -0.003 0.000 0.229 171 D C 0.714 177.022 176.300 0.014 0.000 1.202 171 D CA -0.252 53.803 54.000 0.093 0.000 0.828 171 D CB 0.262 41.154 40.800 0.152 0.000 1.008 171 D HN 0.536 nan 8.370 nan 0.000 0.493 172 E N 0.470 120.562 120.200 -0.180 0.000 2.058 172 E HA -0.143 4.205 4.350 -0.003 0.000 0.194 172 E C 1.824 178.437 176.600 0.022 0.000 0.997 172 E CA 0.774 56.896 56.400 -0.463 0.000 0.801 172 E CB 0.111 29.627 29.700 -0.307 0.000 0.746 172 E HN 0.349 nan 8.360 nan 0.000 0.450 173 L N 0.510 121.759 121.223 0.043 0.000 1.994 173 L HA -0.210 4.128 4.340 -0.003 0.000 0.208 173 L C 2.689 179.569 176.870 0.015 0.000 1.071 173 L CA 1.442 56.258 54.840 -0.040 0.000 0.745 173 L CB -0.399 41.580 42.059 -0.134 0.000 0.892 173 L HN 0.119 nan 8.230 nan 0.000 0.431 174 E N 0.125 120.352 120.200 0.045 0.000 2.077 174 E HA -0.273 4.075 4.350 -0.003 0.000 0.193 174 E C 1.944 178.605 176.600 0.101 0.000 0.989 174 E CA 1.333 57.770 56.400 0.062 0.000 0.800 174 E CB -0.323 29.421 29.700 0.074 0.000 0.746 174 E HN 0.360 nan 8.360 nan 0.000 0.452 175 F N 0.542 120.492 119.950 -0.001 0.000 2.126 175 F HA -0.190 4.336 4.527 -0.002 0.000 0.299 175 F C 2.070 177.889 175.800 0.032 0.000 1.096 175 F CA 2.008 60.029 58.000 0.035 0.000 1.255 175 F CB -0.662 38.369 39.000 0.051 0.000 0.997 175 F HN -0.017 nan 8.300 nan 0.000 0.479 176 T N 0.835 115.399 114.554 0.017 0.000 2.821 176 T HA -0.134 4.214 4.350 -0.003 0.000 0.267 176 T C 1.979 176.616 174.700 -0.105 0.000 1.046 176 T CA 1.492 63.550 62.100 -0.069 0.000 1.139 176 T CB -0.242 68.677 68.868 0.086 0.000 0.871 176 T HN 0.275 nan 8.240 nan 0.000 0.454 177 R N 0.904 121.369 120.500 -0.059 0.000 2.083 177 R HA -0.013 4.325 4.340 -0.003 0.000 0.237 177 R C 2.763 179.018 176.300 -0.074 0.000 1.137 177 R CA 1.307 57.379 56.100 -0.047 0.000 0.951 177 R CB -0.233 30.054 30.300 -0.022 0.000 0.851 177 R HN 0.325 nan 8.270 nan 0.000 0.434 178 R N 0.270 120.707 120.500 -0.105 0.000 2.081 178 R HA -0.061 4.277 4.340 -0.003 0.000 0.235 178 R C 2.341 178.542 176.300 -0.166 0.000 1.131 178 R CA 1.223 57.255 56.100 -0.115 0.000 0.960 178 R CB -0.185 30.053 30.300 -0.104 0.000 0.856 178 R HN 0.211 nan 8.270 nan 0.000 0.436 179 R N 0.475 120.798 120.500 -0.294 0.000 2.189 179 R HA -0.017 4.321 4.340 -0.003 0.000 0.223 179 R C 2.029 178.253 176.300 -0.127 0.000 1.092 179 R CA 0.745 56.685 56.100 -0.266 0.000 0.989 179 R CB -0.084 29.951 30.300 -0.441 0.000 0.876 179 R HN 0.269 nan 8.270 nan 0.000 0.457 180 L N 0.475 121.642 121.223 -0.092 0.000 2.554 180 L HA -0.041 4.297 4.340 -0.003 0.000 0.226 180 L C 2.021 178.877 176.870 -0.023 0.000 1.137 180 L CA 0.130 54.948 54.840 -0.035 0.000 0.863 180 L CB 0.012 42.064 42.059 -0.012 0.000 0.985 180 L HN -0.030 nan 8.230 nan 0.000 0.451 181 V N -0.519 119.374 119.914 -0.035 0.000 2.343 181 V HA -0.282 3.837 4.120 -0.003 0.000 0.247 181 V C 2.506 178.591 176.094 -0.015 0.000 1.051 181 V CA 2.328 64.616 62.300 -0.020 0.000 1.036 181 V CB -0.730 31.080 31.823 -0.022 0.000 0.654 181 V HN 0.445 nan 8.190 nan 0.000 0.451 182 T N 0.182 114.724 114.554 -0.020 0.000 2.737 182 T HA -0.086 4.262 4.350 -0.003 0.000 0.265 182 T C 0.031 174.729 174.700 -0.005 0.000 1.038 182 T CA 1.931 64.024 62.100 -0.012 0.000 1.144 182 T CB -1.103 67.758 68.868 -0.011 0.000 0.866 182 T HN 0.431 nan 8.240 nan 0.000 0.434 183 P HA -0.074 nan 4.420 nan 0.000 0.215 183 P C 1.570 178.873 177.300 0.005 0.000 1.153 183 P CA 1.050 64.156 63.100 0.010 0.000 0.853 183 P CB -0.030 31.683 31.700 0.021 0.000 0.788 184 R N -0.318 120.184 120.500 0.003 0.000 2.070 184 R HA -0.111 4.227 4.340 -0.003 0.000 0.232 184 R C 2.191 178.479 176.300 -0.020 0.000 1.138 184 R CA 2.013 58.112 56.100 -0.003 0.000 0.936 184 R CB -0.806 29.494 30.300 0.001 0.000 0.839 184 R HN 0.124 nan 8.270 nan 0.000 0.429 185 M N 0.179 119.768 119.600 -0.017 0.000 2.108 185 M HA -0.167 4.312 4.480 -0.003 0.000 0.261 185 M C 2.511 178.795 176.300 -0.027 0.000 1.066 185 M CA 1.916 57.202 55.300 -0.024 0.000 1.107 185 M CB -0.365 32.224 32.600 -0.017 0.000 1.356 185 M HN 0.348 nan 8.290 nan 0.000 0.406 186 A N -0.028 122.782 122.820 -0.018 0.000 1.908 186 A HA -0.215 4.104 4.320 -0.003 0.000 0.218 186 A C 1.962 179.531 177.584 -0.024 0.000 1.181 186 A CA 2.154 54.182 52.037 -0.015 0.000 0.627 186 A CB -0.632 18.366 19.000 -0.003 0.000 0.818 186 A HN 0.461 nan 8.150 nan 0.000 0.445 187 E N -0.189 119.994 120.200 -0.029 0.000 2.107 187 E HA -0.074 4.274 4.350 -0.003 0.000 0.191 187 E C 1.786 178.334 176.600 -0.087 0.000 0.982 187 E CA 1.290 57.663 56.400 -0.045 0.000 0.809 187 E CB -0.385 29.293 29.700 -0.037 0.000 0.756 187 E HN 0.225 nan 8.360 nan 0.000 0.459 188 V N 0.756 120.614 119.914 -0.094 0.000 2.343 188 V HA -0.243 3.876 4.120 -0.003 0.000 0.247 188 V C 2.286 178.314 176.094 -0.110 0.000 1.051 188 V CA 1.917 64.136 62.300 -0.134 0.000 1.036 188 V CB -0.803 30.958 31.823 -0.102 0.000 0.654 188 V HN 0.451 nan 8.190 nan 0.000 0.451 189 A N -0.176 122.603 122.820 -0.068 0.000 2.119 189 A HA 0.148 4.466 4.320 -0.003 0.000 0.216 189 A C 2.167 179.726 177.584 -0.042 0.000 1.152 189 A CA 1.272 53.279 52.037 -0.049 0.000 0.708 189 A CB -0.497 18.483 19.000 -0.033 0.000 0.805 189 A HN 0.544 nan 8.150 nan 0.000 0.460 190 G N -0.107 108.665 108.800 -0.047 0.000 2.887 190 G HA2 0.172 4.130 3.960 -0.003 0.000 0.211 190 G HA3 0.172 4.130 3.960 -0.003 0.000 0.211 190 G C 0.800 175.679 174.900 -0.036 0.000 1.152 190 G CA -0.012 45.069 45.100 -0.032 0.000 0.769 190 G HN 0.683 nan 8.290 nan 0.000 0.541 191 R N 0.643 121.101 120.500 -0.069 0.000 2.459 191 R HA 0.395 4.733 4.340 -0.003 0.000 0.281 191 R C -1.297 174.986 176.300 -0.028 0.000 1.050 191 R CA -0.648 55.413 56.100 -0.066 0.000 1.055 191 R CB 0.862 31.057 30.300 -0.175 0.000 1.045 191 R HN -0.064 nan 8.270 nan 0.000 0.495 192 D N 2.731 123.144 120.400 0.021 0.000 2.390 192 D HA 0.084 4.723 4.640 -0.003 0.000 0.249 192 D C -1.284 175.062 176.300 0.077 0.000 1.144 192 D CA -1.933 52.091 54.000 0.041 0.000 0.880 192 D CB 1.323 42.154 40.800 0.051 0.000 1.182 192 D HN 0.362 nan 8.370 nan 0.000 0.451 193 P HA -0.151 nan 4.420 nan 0.000 0.218 193 P C 0.641 177.990 177.300 0.082 0.000 1.149 193 P CA 1.221 64.371 63.100 0.084 0.000 0.817 193 P CB 0.398 32.121 31.700 0.038 0.000 0.785 194 K N -0.356 120.067 120.400 0.040 0.000 2.067 194 K HA 0.081 4.399 4.320 -0.003 0.000 0.203 194 K C 2.404 178.998 176.600 -0.010 0.000 1.048 194 K CA 0.731 57.014 56.287 -0.007 0.000 0.954 194 K CB -0.519 31.968 32.500 -0.021 0.000 0.737 194 K HN 0.103 nan 8.250 nan 0.000 0.444 195 L N 0.215 121.461 121.223 0.038 0.000 2.131 195 L HA -0.194 4.144 4.340 -0.003 0.000 0.210 195 L C 2.457 179.387 176.870 0.100 0.000 1.092 195 L CA 1.043 55.916 54.840 0.053 0.000 0.759 195 L CB -0.346 41.760 42.059 0.077 0.000 0.903 195 L HN 0.202 nan 8.230 nan 0.000 0.435 196 Y N 0.456 120.766 120.300 0.017 0.000 2.314 196 Y HA -0.137 4.411 4.550 -0.003 0.000 0.293 196 Y C 2.384 178.319 175.900 0.059 0.000 1.129 196 Y CA 0.842 58.968 58.100 0.043 0.000 1.201 196 Y CB -0.202 38.273 38.460 0.025 0.000 0.999 196 Y HN 0.081 nan 8.280 nan 0.000 0.541 197 A N 0.011 122.781 122.820 -0.085 0.000 1.929 197 A HA -0.109 4.210 4.320 -0.003 0.000 0.216 197 A C 2.074 179.547 177.584 -0.185 0.000 1.176 197 A CA 1.802 53.740 52.037 -0.166 0.000 0.628 197 A CB -0.564 18.363 19.000 -0.122 0.000 0.816 197 A HN 0.520 nan 8.150 nan 0.000 0.444 198 M N 0.319 119.757 119.600 -0.270 0.000 2.371 198 M HA 0.074 4.552 4.480 -0.003 0.000 0.246 198 M C -0.040 175.939 176.300 -0.534 0.000 1.103 198 M CA 0.065 55.038 55.300 -0.544 0.000 1.010 198 M CB -0.112 32.103 32.600 -0.641 0.000 1.457 198 M HN 0.702 nan 8.290 nan 0.000 0.486 199 H N -0.812 118.231 119.070 -0.046 0.000 2.166 199 H HA -0.103 4.451 4.556 -0.003 0.000 0.323 199 H C -2.589 172.823 175.328 0.140 0.000 0.936 199 H CA -0.426 55.636 56.048 0.022 0.000 1.073 199 H CB -2.117 27.618 29.762 -0.044 0.000 1.592 199 H HN 0.166 nan 8.280 nan 0.000 0.346 200 P HA -0.075 nan 4.420 nan 0.000 0.265 200 P C 0.045 177.553 177.300 0.347 0.000 1.193 200 P CA 0.121 63.381 63.100 0.266 0.000 0.765 200 P CB 0.360 32.223 31.700 0.273 0.000 0.823 201 W N 6.462 127.887 121.300 0.208 0.000 2.282 201 W HA 0.437 5.096 4.660 -0.003 0.000 0.322 201 W C -1.047 175.513 176.519 0.068 0.000 1.011 201 W CA -0.792 56.645 57.345 0.154 0.000 1.392 201 W CB 0.191 29.773 29.460 0.203 0.000 1.215 201 W HN 0.198 nan 8.180 nan 0.000 0.394 202 V N 2.746 122.802 119.914 0.235 0.000 3.145 202 V HA 0.926 5.045 4.120 -0.003 0.000 0.311 202 V C -0.841 175.249 176.094 -0.008 0.000 1.238 202 V CA -0.860 61.377 62.300 -0.105 0.000 1.066 202 V CB 1.511 33.125 31.823 -0.349 0.000 1.144 202 V HN 0.348 nan 8.190 nan 0.000 0.465 203 T N -0.685 113.817 114.554 -0.088 0.000 2.894 203 T HA 0.516 4.865 4.350 -0.003 0.000 0.309 203 T C 0.307 174.981 174.700 -0.043 0.000 1.208 203 T CA 0.262 62.347 62.100 -0.024 0.000 1.016 203 T CB 1.763 70.622 68.868 -0.015 0.000 1.192 203 T HN 1.758 nan 8.240 nan 0.000 0.491 204 S N 2.042 117.736 115.700 -0.010 0.000 2.539 204 S HA 0.363 4.832 4.470 -0.003 0.000 0.221 204 S C 0.365 174.960 174.600 -0.009 0.000 0.987 204 S CA -0.483 57.708 58.200 -0.015 0.000 0.929 204 S CB -0.236 62.962 63.200 -0.003 0.000 0.832 204 S HN 0.644 nan 8.310 nan 0.000 0.492 205 K N 2.976 123.376 120.400 -0.002 0.000 2.202 205 K HA 0.359 4.678 4.320 -0.003 0.000 0.264 205 K C -2.416 174.170 176.600 -0.024 0.000 1.010 205 K CA -1.763 54.522 56.287 -0.002 0.000 0.940 205 K CB 0.090 32.599 32.500 0.016 0.000 0.983 205 K HN 0.246 nan 8.250 nan 0.000 0.475 206 P HA 0.088 nan 4.420 nan 0.000 0.274 206 P C -0.563 176.694 177.300 -0.072 0.000 1.246 206 P CA -0.330 62.742 63.100 -0.047 0.000 0.795 206 P CB 0.568 32.242 31.700 -0.044 0.000 1.006 207 L N 2.767 123.940 121.223 -0.083 0.000 2.418 207 L HA 0.177 4.515 4.340 -0.003 0.000 0.274 207 L C -1.760 174.995 176.870 -0.191 0.000 1.135 207 L CA -1.587 53.181 54.840 -0.120 0.000 0.870 207 L CB -0.419 41.583 42.059 -0.096 0.000 1.154 207 L HN 0.260 nan 8.230 nan 0.000 0.462 208 P HA -0.055 nan 4.420 nan 0.000 0.268 208 P C 0.594 177.584 177.300 -0.516 0.000 1.208 208 P CA -0.187 62.586 63.100 -0.546 0.000 0.777 208 P CB 0.585 31.612 31.700 -1.122 0.000 0.875 209 E N 1.450 121.413 120.200 -0.396 0.000 2.118 209 E HA -0.248 4.101 4.350 -0.003 0.000 0.195 209 E C 1.025 177.527 176.600 -0.164 0.000 0.992 209 E CA 1.262 57.541 56.400 -0.202 0.000 0.804 209 E CB -0.294 29.355 29.700 -0.085 0.000 0.741 209 E HN 0.617 nan 8.360 nan 0.000 0.458 210 Y N -1.155 119.123 120.300 -0.037 0.000 2.578 210 Y HA 0.175 4.723 4.550 -0.003 0.000 0.297 210 Y C 1.494 177.360 175.900 -0.056 0.000 1.176 210 Y CA 0.139 58.205 58.100 -0.056 0.000 1.315 210 Y CB -0.249 38.160 38.460 -0.084 0.000 1.031 210 Y HN -0.006 nan 8.280 nan 0.000 0.524 211 L N -1.200 119.954 121.223 -0.115 0.000 2.609 211 L HA 0.111 4.449 4.340 -0.003 0.000 0.230 211 L C 1.770 178.609 176.870 -0.051 0.000 1.064 211 L CA 0.007 54.822 54.840 -0.041 0.000 0.873 211 L CB -0.002 41.999 42.059 -0.097 0.000 1.139 211 L HN 0.203 nan 8.230 nan 0.000 0.490 212 L N 0.642 121.815 121.223 -0.083 0.000 2.079 212 L HA -0.209 4.129 4.340 -0.003 0.000 0.210 212 L C 2.478 179.335 176.870 -0.023 0.000 1.081 212 L CA 1.762 56.569 54.840 -0.054 0.000 0.752 212 L CB -0.364 41.657 42.059 -0.064 0.000 0.896 212 L HN 0.071 nan 8.230 nan 0.000 0.433 213 K N -0.385 120.008 120.400 -0.011 0.000 2.026 213 K HA -0.157 4.161 4.320 -0.003 0.000 0.208 213 K C 1.993 178.599 176.600 0.010 0.000 1.048 213 K CA 1.276 57.565 56.287 0.005 0.000 0.929 213 K CB -0.108 32.401 32.500 0.015 0.000 0.713 213 K HN -0.009 nan 8.250 nan 0.000 0.439 214 K N 0.191 120.599 120.400 0.012 0.000 2.286 214 K HA -0.103 4.215 4.320 -0.003 0.000 0.203 214 K C 0.264 176.878 176.600 0.024 0.000 1.045 214 K CA 0.675 56.971 56.287 0.016 0.000 0.935 214 K CB -0.150 32.358 32.500 0.014 0.000 0.737 214 K HN 0.180 nan 8.250 nan 0.000 0.460 215 I N 1.552 122.133 120.570 0.018 0.000 2.377 215 I HA 0.081 4.250 4.170 -0.003 0.000 0.293 215 I C -0.115 176.019 176.117 0.029 0.000 0.987 215 I CA -0.249 61.068 61.300 0.027 0.000 1.185 215 I CB 1.679 39.684 38.000 0.008 0.000 1.341 215 I HN -0.237 nan 8.210 nan 0.000 0.455 216 T N 6.120 120.705 114.554 0.051 0.000 2.781 216 T HA 0.262 4.611 4.350 -0.003 0.000 0.305 216 T C 0.406 175.126 174.700 0.033 0.000 1.001 216 T CA -0.332 61.797 62.100 0.048 0.000 0.950 216 T CB 0.004 68.918 68.868 0.077 0.000 0.955 216 T HN 0.535 nan 8.240 nan 0.000 0.471 217 N N 3.744 122.452 118.700 0.015 0.000 2.780 217 N HA -0.188 4.551 4.740 -0.003 0.000 0.247 217 N C 0.377 175.878 175.510 -0.015 0.000 1.076 217 N CA 0.484 53.535 53.050 0.001 0.000 0.688 217 N CB -1.070 37.421 38.487 0.006 0.000 0.957 217 N HN 0.868 nan 8.380 nan 0.000 0.551 218 N N -1.735 116.955 118.700 -0.017 0.000 2.714 218 N HA -0.220 4.519 4.740 -0.003 0.000 0.250 218 N C -0.913 174.568 175.510 -0.049 0.000 1.117 218 N CA 1.414 54.448 53.050 -0.027 0.000 0.719 218 N CB -1.442 37.029 38.487 -0.025 0.000 1.081 218 N HN 0.575 nan 8.380 nan 0.000 0.557 219 C N -0.466 118.797 119.300 -0.061 0.000 2.667 219 C HA 0.830 5.288 4.460 -0.003 0.000 0.323 219 C C 0.299 175.204 174.990 -0.141 0.000 1.214 219 C CA -0.720 58.216 59.018 -0.137 0.000 1.721 219 C CB 2.257 29.877 27.740 -0.201 0.000 2.275 219 C HN 0.119 nan 8.230 nan 0.000 0.491 220 V N 1.752 121.524 119.914 -0.235 0.000 2.733 220 V HA 0.445 4.563 4.120 -0.003 0.000 0.306 220 V C -1.166 174.772 176.094 -0.260 0.000 1.084 220 V CA -0.337 61.876 62.300 -0.146 0.000 0.905 220 V CB 1.531 33.319 31.823 -0.059 0.000 1.010 220 V HN 0.709 nan 8.190 nan 0.000 0.424 221 F N 5.459 125.393 119.950 -0.027 0.000 2.410 221 F HA 0.732 5.257 4.527 -0.003 0.000 0.349 221 F C 0.341 176.106 175.800 -0.059 0.000 1.117 221 F CA -0.572 57.407 58.000 -0.037 0.000 1.104 221 F CB 1.352 40.332 39.000 -0.034 0.000 1.122 221 F HN 0.437 nan 8.300 nan 0.000 0.483 222 I N 0.596 121.213 120.570 0.077 0.000 2.608 222 I HA 0.765 4.933 4.170 -0.003 0.000 0.295 222 I C -1.488 174.608 176.117 -0.034 0.000 1.049 222 I CA -1.169 60.124 61.300 -0.011 0.000 1.063 222 I CB 2.076 40.043 38.000 -0.056 0.000 1.248 222 I HN 0.153 nan 8.210 nan 0.000 0.424 223 V N 6.495 126.351 119.914 -0.097 0.000 2.347 223 V HA 0.459 4.577 4.120 -0.003 0.000 0.280 223 V C 0.200 176.330 176.094 0.061 0.000 1.021 223 V CA -0.332 61.934 62.300 -0.055 0.000 0.847 223 V CB 1.180 32.913 31.823 -0.150 0.000 0.990 223 V HN 0.546 nan 8.190 nan 0.000 0.444 224 I N 5.035 125.594 120.570 -0.018 0.000 2.385 224 I HA 0.484 4.652 4.170 -0.003 0.000 0.294 224 I C 0.135 176.308 176.117 0.093 0.000 0.988 224 I CA -0.430 60.837 61.300 -0.055 0.000 1.265 224 I CB 0.960 38.638 38.000 -0.535 0.000 1.388 224 I HN 0.598 nan 8.210 nan 0.000 0.480 225 H N 4.066 123.113 119.070 -0.037 0.000 2.670 225 H HA 0.472 5.027 4.556 -0.003 0.000 0.361 225 H C -0.044 175.307 175.328 0.037 0.000 1.169 225 H CA -0.850 55.215 56.048 0.028 0.000 1.198 225 H CB 2.806 32.592 29.762 0.040 0.000 1.700 225 H HN 0.470 nan 8.280 nan 0.000 0.542 226 R N 0.405 121.015 120.500 0.184 0.000 2.242 226 R HA 0.249 4.587 4.340 -0.003 0.000 0.138 226 R C 0.645 177.022 176.300 0.129 0.000 2.004 226 R CA 0.785 56.971 56.100 0.144 0.000 1.618 226 R CB -0.064 30.309 30.300 0.123 0.000 1.371 226 R HN 0.468 nan 8.270 nan 0.000 0.480 227 S N -1.088 114.675 115.700 0.104 0.000 3.325 227 S HA 0.202 4.671 4.470 -0.003 0.000 0.174 227 S C 1.281 175.936 174.600 0.091 0.000 0.791 227 S CA 0.493 58.745 58.200 0.086 0.000 1.138 227 S CB 0.009 63.248 63.200 0.065 0.000 0.696 227 S HN 0.469 nan 8.310 nan 0.000 0.698 228 T N 2.690 117.284 114.554 0.065 0.000 3.054 228 T HA 0.116 4.465 4.350 -0.003 0.000 0.259 228 T C 0.410 175.131 174.700 0.035 0.000 1.092 228 T CA 0.563 62.697 62.100 0.056 0.000 1.121 228 T CB -0.254 68.637 68.868 0.038 0.000 0.912 228 T HN 0.373 nan 8.240 nan 0.000 0.489 229 T N 3.800 118.378 114.554 0.041 0.000 2.871 229 T HA 0.321 4.670 4.350 -0.003 0.000 0.296 229 T C 0.083 174.789 174.700 0.011 0.000 0.998 229 T CA -0.165 61.954 62.100 0.031 0.000 1.162 229 T CB 0.104 69.003 68.868 0.052 0.000 0.947 229 T HN 0.420 nan 8.240 nan 0.000 0.536 230 S N 2.306 117.986 115.700 -0.033 0.000 2.548 230 S HA 0.578 5.047 4.470 -0.003 0.000 0.278 230 S C -1.525 173.048 174.600 -0.045 0.000 1.150 230 S CA -1.187 56.939 58.200 -0.124 0.000 0.907 230 S CB 2.101 65.010 63.200 -0.486 0.000 1.108 230 S HN 0.568 nan 8.310 nan 0.000 0.459 231 Q N 0.776 120.598 119.800 0.037 0.000 2.423 231 Q HA 0.753 5.092 4.340 -0.003 0.000 0.278 231 Q C -1.330 174.721 176.000 0.086 0.000 1.097 231 Q CA -0.201 55.661 55.803 0.099 0.000 0.809 231 Q CB 2.342 31.213 28.738 0.222 0.000 1.391 231 Q HN 0.810 nan 8.270 nan 0.000 0.428 232 T N 3.126 117.730 114.554 0.082 0.000 2.824 232 T HA 0.737 5.086 4.350 -0.003 0.000 0.280 232 T C -0.618 174.160 174.700 0.130 0.000 0.995 232 T CA -0.278 61.871 62.100 0.083 0.000 1.009 232 T CB 0.429 69.339 68.868 0.070 0.000 0.955 232 T HN 0.466 nan 8.240 nan 0.000 0.452 233 I N 2.021 122.662 120.570 0.119 0.000 2.785 233 I HA 0.487 4.656 4.170 -0.003 0.000 0.302 233 I C -0.164 175.973 176.117 0.032 0.000 1.069 233 I CA -0.869 60.491 61.300 0.100 0.000 1.045 233 I CB 2.102 40.161 38.000 0.099 0.000 1.236 233 I HN 0.403 nan 8.210 nan 0.000 0.429 234 K N 4.525 124.879 120.400 -0.077 0.000 2.265 234 K HA 0.797 5.116 4.320 -0.003 0.000 0.267 234 K C -1.424 175.016 176.600 -0.267 0.000 0.994 234 K CA -0.423 55.624 56.287 -0.399 0.000 0.860 234 K CB 1.107 33.278 32.500 -0.549 0.000 1.099 234 K HN 0.527 nan 8.250 nan 0.000 0.448 235 V N 1.189 120.943 119.914 -0.268 0.000 3.181 235 V HA 0.467 4.585 4.120 -0.003 0.000 0.314 235 V C -0.238 175.762 176.094 -0.157 0.000 1.173 235 V CA -1.183 61.022 62.300 -0.160 0.000 1.052 235 V CB 1.606 33.366 31.823 -0.105 0.000 1.123 235 V HN 0.888 nan 8.190 nan 0.000 0.454 236 S N 0.468 116.110 115.700 -0.096 0.000 2.525 236 S HA 0.559 5.028 4.470 -0.003 0.000 0.278 236 S C 1.035 175.604 174.600 -0.051 0.000 1.234 236 S CA 0.079 58.235 58.200 -0.074 0.000 1.058 236 S CB 1.384 64.555 63.200 -0.049 0.000 0.983 236 S HN 1.457 nan 8.310 nan 0.000 0.495 237 A N 2.104 124.898 122.820 -0.044 0.000 2.186 237 A HA -0.065 4.253 4.320 -0.003 0.000 0.219 237 A C 1.022 178.608 177.584 0.002 0.000 1.159 237 A CA 1.706 53.731 52.037 -0.019 0.000 0.680 237 A CB -0.755 18.234 19.000 -0.018 0.000 0.787 237 A HN 0.914 nan 8.150 nan 0.000 0.467 238 D N -0.409 119.989 120.400 -0.003 0.000 2.398 238 D HA 0.101 4.739 4.640 -0.003 0.000 0.210 238 D C -0.402 175.909 176.300 0.018 0.000 1.094 238 D CA -0.278 53.728 54.000 0.009 0.000 0.839 238 D CB 0.255 41.054 40.800 -0.000 0.000 0.963 238 D HN 0.243 nan 8.370 nan 0.000 0.506 239 D N 1.368 121.774 120.400 0.010 0.000 2.382 239 D HA 0.060 4.698 4.640 -0.003 0.000 0.245 239 D C 0.682 177.006 176.300 0.041 0.000 1.120 239 D CA 0.378 54.385 54.000 0.012 0.000 0.890 239 D CB 1.062 41.855 40.800 -0.012 0.000 1.201 239 D HN 0.089 nan 8.370 nan 0.000 0.433 240 T N -0.637 113.942 114.554 0.043 0.000 2.909 240 T HA 0.282 4.631 4.350 -0.003 0.000 0.289 240 T C -1.903 172.820 174.700 0.039 0.000 1.005 240 T CA -1.726 60.420 62.100 0.076 0.000 1.084 240 T CB 1.674 70.582 68.868 0.067 0.000 0.975 240 T HN -0.031 nan 8.240 nan 0.000 0.509 241 P HA -0.085 nan 4.420 nan 0.000 0.218 241 P C 1.670 178.946 177.300 -0.041 0.000 1.146 241 P CA 1.370 64.446 63.100 -0.040 0.000 0.820 241 P CB -0.278 31.392 31.700 -0.050 0.000 0.778 242 G N -1.462 107.336 108.800 -0.004 0.000 2.394 242 G HA2 -0.175 3.784 3.960 -0.003 0.000 0.215 242 G HA3 -0.175 3.784 3.960 -0.003 0.000 0.215 242 G C 1.376 176.258 174.900 -0.030 0.000 1.165 242 G CA 1.022 46.115 45.100 -0.012 0.000 0.784 242 G HN 0.177 nan 8.290 nan 0.000 0.535 243 T N 1.771 116.316 114.554 -0.015 0.000 3.051 243 T HA 0.006 4.355 4.350 -0.003 0.000 0.269 243 T C 2.196 176.873 174.700 -0.038 0.000 1.127 243 T CA 0.398 62.487 62.100 -0.017 0.000 1.107 243 T CB 0.028 68.893 68.868 -0.005 0.000 0.898 243 T HN 0.114 nan 8.240 nan 0.000 0.517 244 I N 0.802 121.337 120.570 -0.059 0.000 2.270 244 I HA 0.044 4.213 4.170 -0.003 0.000 0.239 244 I C 2.329 178.377 176.117 -0.115 0.000 1.080 244 I CA 0.959 62.210 61.300 -0.081 0.000 1.383 244 I CB -1.324 36.610 38.000 -0.109 0.000 1.097 244 I HN 0.253 nan 8.210 nan 0.000 0.420 245 L N 0.422 121.532 121.223 -0.189 0.000 2.012 245 L HA -0.257 4.081 4.340 -0.003 0.000 0.210 245 L C 2.724 179.311 176.870 -0.472 0.000 1.073 245 L CA 1.581 56.191 54.840 -0.383 0.000 0.748 245 L CB -0.726 41.097 42.059 -0.393 0.000 0.891 245 L HN 0.377 nan 8.230 nan 0.000 0.431 246 Q N -0.534 119.127 119.800 -0.231 0.000 2.181 246 Q HA -0.242 4.097 4.340 -0.003 0.000 0.205 246 Q C 2.259 178.242 176.000 -0.029 0.000 0.980 246 Q CA 1.904 57.656 55.803 -0.086 0.000 0.862 246 Q CB -0.015 28.718 28.738 -0.010 0.000 0.905 246 Q HN 0.362 nan 8.270 nan 0.000 0.429 247 S N -0.976 114.704 115.700 -0.033 0.000 2.496 247 S HA -0.036 4.432 4.470 -0.003 0.000 0.224 247 S C 1.246 175.881 174.600 0.060 0.000 0.996 247 S CA 0.099 58.306 58.200 0.012 0.000 0.927 247 S CB -0.194 63.008 63.200 0.005 0.000 0.774 247 S HN 0.550 nan 8.310 nan 0.000 0.524 248 F N 1.007 120.865 119.950 -0.153 0.000 2.335 248 F HA 0.344 4.869 4.527 -0.003 0.000 0.296 248 F C 1.341 177.173 175.800 0.053 0.000 1.091 248 F CA 0.565 58.500 58.000 -0.108 0.000 1.399 248 F CB -0.343 38.529 39.000 -0.214 0.000 1.067 248 F HN 0.282 nan 8.300 nan 0.000 0.520 249 F N 0.009 119.928 119.950 -0.051 0.000 2.502 249 F HA -0.140 4.386 4.527 -0.002 0.000 0.298 249 F C 2.392 178.104 175.800 -0.146 0.000 1.111 249 F CA 0.887 58.799 58.000 -0.146 0.000 1.445 249 F CB -0.396 38.578 39.000 -0.045 0.000 1.081 249 F HN 0.069 nan 8.300 nan 0.000 0.558 250 T N -2.277 112.321 114.554 0.074 0.000 2.976 250 T HA -0.039 4.309 4.350 -0.003 0.000 0.257 250 T C 1.679 176.357 174.700 -0.037 0.000 1.051 250 T CA 0.404 62.514 62.100 0.018 0.000 1.141 250 T CB -0.050 68.833 68.868 0.024 0.000 0.881 250 T HN 0.128 nan 8.240 nan 0.000 0.461 251 K N 0.717 121.076 120.400 -0.069 0.000 1.984 251 K HA 0.145 4.463 4.320 -0.003 0.000 0.219 251 K C 0.812 177.324 176.600 -0.147 0.000 1.033 251 K CA 0.562 56.796 56.287 -0.088 0.000 0.983 251 K CB -0.194 32.263 32.500 -0.071 0.000 0.762 251 K HN 0.272 nan 8.250 nan 0.000 0.445 252 M N 0.193 119.622 119.600 -0.285 0.000 2.228 252 M HA 0.084 4.563 4.480 -0.003 0.000 0.351 252 M C 0.218 176.369 176.300 -0.249 0.000 1.233 252 M CA 0.153 55.280 55.300 -0.288 0.000 1.129 252 M CB 1.579 33.911 32.600 -0.447 0.000 1.604 252 M HN 0.561 nan 8.290 nan 0.000 0.457 253 A N 3.158 125.879 122.820 -0.165 0.000 1.633 253 A HA 0.229 4.548 4.320 -0.003 0.000 0.212 253 A C 0.477 177.986 177.584 -0.125 0.000 1.823 253 A CA -0.136 51.817 52.037 -0.139 0.000 1.343 253 A CB 0.425 19.368 19.000 -0.094 0.000 1.309 253 A HN 0.690 nan 8.150 nan 0.000 0.404 267 E N -0.307 119.958 120.200 0.109 0.000 3.203 267 E HA 0.267 4.616 4.350 -0.003 0.000 0.200 267 E C 0.202 176.946 176.600 0.240 0.000 1.089 267 E CA -0.094 56.354 56.400 0.080 0.000 1.430 267 E CB 1.177 30.892 29.700 0.024 0.000 1.328 267 E HN -0.018 nan 8.360 nan 0.000 0.580 268 R N 1.753 122.417 120.500 0.274 0.000 3.782 268 R HA 0.100 4.439 4.340 -0.003 0.000 0.291 268 R C -0.203 176.271 176.300 0.289 0.000 1.539 268 R CA 0.247 56.569 56.100 0.370 0.000 1.345 268 R CB -0.227 30.225 30.300 0.254 0.000 1.408 268 R HN -0.003 nan 8.270 nan 0.000 0.654 269 D N -0.291 120.310 120.400 0.336 0.000 2.388 269 D HA 0.060 4.699 4.640 -0.003 0.000 0.221 269 D C -0.695 175.636 176.300 0.051 0.000 1.133 269 D CA 0.154 54.241 54.000 0.144 0.000 0.831 269 D CB 0.120 40.941 40.800 0.036 0.000 0.962 269 D HN 0.103 nan 8.370 nan 0.000 0.502 270 F N -0.391 119.640 119.950 0.134 0.000 2.509 270 F HA 0.493 5.019 4.527 -0.002 0.000 0.334 270 F C 0.340 176.181 175.800 0.069 0.000 1.060 270 F CA -1.005 57.066 58.000 0.118 0.000 0.997 270 F CB 1.579 40.695 39.000 0.193 0.000 1.271 270 F HN -0.354 nan 8.300 nan 0.000 0.488 271 V N 2.284 122.341 119.914 0.239 0.000 3.049 271 V HA 0.533 4.652 4.120 -0.003 0.000 0.309 271 V C -1.466 174.698 176.094 0.116 0.000 1.148 271 V CA -0.901 61.481 62.300 0.138 0.000 0.990 271 V CB 2.297 34.183 31.823 0.105 0.000 1.039 271 V HN 0.575 nan 8.190 nan 0.000 0.430 272 L N 5.859 127.104 121.223 0.038 0.000 2.281 272 L HA 0.632 4.971 4.340 -0.003 0.000 0.285 272 L C 0.159 176.983 176.870 -0.076 0.000 1.074 272 L CA -0.117 54.692 54.840 -0.052 0.000 0.817 272 L CB 1.002 42.979 42.059 -0.137 0.000 1.168 272 L HN 0.638 nan 8.230 nan 0.000 0.434 273 R N 2.730 123.133 120.500 -0.160 0.000 2.686 273 R HA 0.544 4.883 4.340 -0.003 0.000 0.286 273 R C -1.071 175.009 176.300 -0.367 0.000 0.969 273 R CA -0.731 55.148 56.100 -0.367 0.000 0.898 273 R CB 2.057 32.088 30.300 -0.449 0.000 1.183 273 R HN 0.342 nan 8.270 nan 0.000 0.456 274 V N 3.314 122.935 119.914 -0.488 0.000 2.763 274 V HA -0.009 4.110 4.120 -0.003 0.000 0.306 274 V C 0.459 176.298 176.094 -0.424 0.000 1.059 274 V CA -0.349 61.633 62.300 -0.530 0.000 1.138 274 V CB 0.721 31.968 31.823 -0.960 0.000 0.940 274 V HN 0.820 nan 8.190 nan 0.000 0.489 275 C N 4.543 123.654 119.300 -0.315 0.000 2.633 275 C HA 0.423 4.882 4.460 -0.003 0.000 0.415 275 C C 1.536 176.376 174.990 -0.251 0.000 1.393 275 C CA 0.661 59.520 59.018 -0.264 0.000 1.700 275 C CB -1.055 26.537 27.740 -0.246 0.000 2.541 275 C HN 1.397 nan 8.230 nan 0.000 0.603 276 G N 4.015 112.683 108.800 -0.220 0.000 2.198 276 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.260 276 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.260 276 G C -0.103 174.666 174.900 -0.219 0.000 1.025 276 G CA 0.297 45.287 45.100 -0.184 0.000 0.769 276 G HN 0.838 nan 8.290 nan 0.000 0.507 277 R N -0.929 119.396 120.500 -0.293 0.000 2.663 277 R HA 0.249 4.588 4.340 -0.003 0.000 0.267 277 R C -1.422 174.666 176.300 -0.353 0.000 1.038 277 R CA -0.985 54.928 56.100 -0.312 0.000 0.886 277 R CB 1.034 31.089 30.300 -0.409 0.000 1.249 277 R HN 0.066 nan 8.270 nan 0.000 0.463 278 D N 2.245 122.486 120.400 -0.266 0.000 2.713 278 D HA 0.065 4.704 4.640 -0.003 0.000 0.229 278 D C -0.721 175.442 176.300 -0.228 0.000 1.136 278 D CA 0.505 54.354 54.000 -0.252 0.000 1.010 278 D CB 0.694 41.459 40.800 -0.059 0.000 1.084 278 D HN 0.242 nan 8.370 nan 0.000 0.495 279 E N 0.977 120.888 120.200 -0.481 0.000 2.244 279 E HA 0.236 4.584 4.350 -0.003 0.000 0.260 279 E C -1.545 174.744 176.600 -0.517 0.000 0.884 279 E CA -0.650 55.551 56.400 -0.332 0.000 0.777 279 E CB 0.802 30.332 29.700 -0.283 0.000 1.197 279 E HN 0.044 nan 8.360 nan 0.000 0.416 280 Y N 3.232 123.412 120.300 -0.200 0.000 2.387 280 Y HA 0.447 4.995 4.550 -0.002 0.000 0.336 280 Y C -0.073 175.753 175.900 -0.123 0.000 1.067 280 Y CA -0.934 57.058 58.100 -0.180 0.000 1.114 280 Y CB 1.348 39.692 38.460 -0.193 0.000 1.208 280 Y HN 0.369 nan 8.280 nan 0.000 0.458 281 L N 5.508 126.663 121.223 -0.113 0.000 2.321 281 L HA 0.591 4.929 4.340 -0.003 0.000 0.272 281 L C -0.763 175.975 176.870 -0.220 0.000 1.050 281 L CA -0.658 53.879 54.840 -0.506 0.000 0.893 281 L CB -0.146 41.420 42.059 -0.822 0.000 1.272 281 L HN 0.478 nan 8.230 nan 0.000 0.435 282 V N -0.945 119.045 119.914 0.127 0.000 3.181 282 V HA 1.060 5.178 4.120 -0.003 0.000 0.308 282 V C 0.060 176.326 176.094 0.286 0.000 1.214 282 V CA -0.438 61.958 62.300 0.161 0.000 1.053 282 V CB 1.478 33.348 31.823 0.078 0.000 1.069 282 V HN 0.765 nan 8.190 nan 0.000 0.441 283 G N 0.617 109.522 108.800 0.175 0.000 2.662 283 G HA2 0.017 3.976 3.960 -0.003 0.000 0.686 283 G HA3 0.017 3.976 3.960 -0.003 0.000 0.686 283 G C -0.664 174.320 174.900 0.140 0.000 1.271 283 G CA -0.334 44.851 45.100 0.141 0.000 0.816 283 G HN 1.098 nan 8.290 nan 0.000 0.608 284 E N 1.250 121.499 120.200 0.083 0.000 1.858 284 E HA 0.334 4.682 4.350 -0.003 0.000 0.278 284 E C 0.299 176.929 176.600 0.050 0.000 1.172 284 E CA 0.677 57.116 56.400 0.065 0.000 1.127 284 E CB -0.186 29.538 29.700 0.041 0.000 1.084 284 E HN 0.555 nan 8.360 nan 0.000 0.455 285 T N 1.834 116.442 114.554 0.090 0.000 2.952 285 T HA 0.343 4.692 4.350 -0.003 0.000 0.305 285 T C -2.674 172.110 174.700 0.140 0.000 1.064 285 T CA -1.581 60.530 62.100 0.018 0.000 1.008 285 T CB 2.229 70.957 68.868 -0.233 0.000 1.078 285 T HN -0.025 nan 8.240 nan 0.000 0.459 286 P HA 0.181 nan 4.420 nan 0.000 0.268 286 P C 1.422 178.878 177.300 0.260 0.000 1.204 286 P CA -0.417 62.754 63.100 0.118 0.000 0.768 286 P CB 0.248 31.976 31.700 0.046 0.000 0.842 287 I N 2.682 123.410 120.570 0.264 0.000 2.315 287 I HA -0.319 3.850 4.170 -0.003 0.000 0.251 287 I C 1.562 177.870 176.117 0.318 0.000 1.125 287 I CA 1.656 63.143 61.300 0.312 0.000 1.392 287 I CB -0.889 37.157 38.000 0.076 0.000 1.065 287 I HN 0.309 nan 8.210 nan 0.000 0.424 288 K N 0.732 121.230 120.400 0.162 0.000 2.439 288 K HA -0.023 4.295 4.320 -0.003 0.000 0.197 288 K C 0.805 177.447 176.600 0.069 0.000 1.041 288 K CA 1.070 57.413 56.287 0.092 0.000 0.970 288 K CB -0.387 32.132 32.500 0.032 0.000 0.773 288 K HN 0.286 nan 8.250 nan 0.000 0.479 289 N N 0.343 119.076 118.700 0.055 0.000 2.276 289 N HA 0.141 4.879 4.740 -0.003 0.000 0.212 289 N C -1.213 174.172 175.510 -0.208 0.000 1.127 289 N CA 0.011 53.008 53.050 -0.089 0.000 0.834 289 N CB 0.081 38.478 38.487 -0.150 0.000 1.014 289 N HN 0.083 nan 8.380 nan 0.000 0.491 290 F N 0.793 120.734 119.950 -0.015 0.000 2.408 290 F HA 0.261 4.786 4.527 -0.003 0.000 0.344 290 F C 1.732 177.473 175.800 -0.098 0.000 1.112 290 F CA -0.713 57.280 58.000 -0.011 0.000 1.096 290 F CB 1.455 40.484 39.000 0.048 0.000 1.129 290 F HN -0.164 nan 8.300 nan 0.000 0.486 291 Q N 2.987 122.714 119.800 -0.121 0.000 2.135 291 Q HA -0.264 4.075 4.340 -0.003 0.000 0.204 291 Q C 2.161 178.033 176.000 -0.213 0.000 0.981 291 Q CA 1.500 57.059 55.803 -0.407 0.000 0.856 291 Q CB -0.410 27.548 28.738 -1.299 0.000 0.902 291 Q HN 0.868 nan 8.270 nan 0.000 0.425 292 W N 0.815 122.019 121.300 -0.159 0.000 2.388 292 W HA -0.148 4.511 4.660 -0.002 0.000 0.294 292 W C 1.668 178.161 176.519 -0.044 0.000 1.212 292 W CA 1.218 58.515 57.345 -0.079 0.000 1.271 292 W CB 0.123 29.575 29.460 -0.014 0.000 1.126 292 W HN -0.054 nan 8.180 nan 0.000 0.535 293 V N 1.630 121.599 119.914 0.091 0.000 2.295 293 V HA -0.282 3.836 4.120 -0.003 0.000 0.246 293 V C 2.518 178.558 176.094 -0.090 0.000 1.049 293 V CA 2.051 64.362 62.300 0.018 0.000 1.024 293 V CB -0.867 31.024 31.823 0.115 0.000 0.648 293 V HN 0.111 nan 8.190 nan 0.000 0.447 294 R N -0.381 120.070 120.500 -0.082 0.000 2.148 294 R HA -0.180 4.158 4.340 -0.003 0.000 0.227 294 R C 2.349 178.557 176.300 -0.154 0.000 1.103 294 R CA 1.376 57.418 56.100 -0.096 0.000 0.983 294 R CB -0.259 29.990 30.300 -0.085 0.000 0.874 294 R HN 0.604 nan 8.270 nan 0.000 0.451 295 Q N 0.324 119.961 119.800 -0.270 0.000 2.020 295 Q HA -0.153 4.185 4.340 -0.003 0.000 0.198 295 Q C 2.170 177.952 176.000 -0.363 0.000 0.974 295 Q CA 1.586 57.183 55.803 -0.343 0.000 0.829 295 Q CB 0.014 28.443 28.738 -0.515 0.000 0.894 295 Q HN 0.362 nan 8.270 nan 0.000 0.433 296 C N 0.575 119.587 119.300 -0.481 0.000 2.413 296 C HA -0.167 4.291 4.460 -0.003 0.000 0.276 296 C C 2.620 177.507 174.990 -0.171 0.000 1.236 296 C CA 0.585 59.396 59.018 -0.344 0.000 1.735 296 C CB -1.216 26.340 27.740 -0.306 0.000 2.031 296 C HN 0.536 nan 8.230 nan 0.000 0.474 297 L N 0.933 122.079 121.223 -0.128 0.000 1.956 297 L HA -0.254 4.084 4.340 -0.003 0.000 0.216 297 L C 2.753 179.591 176.870 -0.054 0.000 1.073 297 L CA 2.087 56.890 54.840 -0.061 0.000 0.762 297 L CB -0.846 41.190 42.059 -0.038 0.000 0.889 297 L HN 0.385 nan 8.230 nan 0.000 0.433 298 K N 0.133 120.499 120.400 -0.056 0.000 2.044 298 K HA -0.230 4.088 4.320 -0.003 0.000 0.210 298 K C 1.800 178.352 176.600 -0.079 0.000 1.049 298 K CA 1.979 58.237 56.287 -0.047 0.000 0.927 298 K CB -0.148 32.322 32.500 -0.050 0.000 0.713 298 K HN 0.346 nan 8.250 nan 0.000 0.443 299 N N -0.216 118.421 118.700 -0.104 0.000 2.453 299 N HA -0.071 4.667 4.740 -0.003 0.000 0.183 299 N C 1.191 176.662 175.510 -0.065 0.000 1.041 299 N CA 1.275 54.269 53.050 -0.094 0.000 0.900 299 N CB 0.080 38.493 38.487 -0.123 0.000 0.961 299 N HN 0.560 nan 8.380 nan 0.000 0.443 300 G N 0.698 109.463 108.800 -0.059 0.000 2.184 300 G HA2 -0.297 3.662 3.960 -0.003 0.000 0.264 300 G HA3 -0.297 3.662 3.960 -0.003 0.000 0.264 300 G C -0.025 174.860 174.900 -0.024 0.000 0.975 300 G CA 0.259 45.338 45.100 -0.034 0.000 0.642 300 G HN 0.419 nan 8.290 nan 0.000 0.536 301 E N 0.602 120.780 120.200 -0.037 0.000 2.371 301 E HA 0.434 4.782 4.350 -0.003 0.000 0.257 301 E C 0.411 177.021 176.600 0.017 0.000 1.134 301 E CA -0.366 56.033 56.400 -0.002 0.000 0.919 301 E CB 0.654 30.345 29.700 -0.016 0.000 1.025 301 E HN 0.575 nan 8.360 nan 0.000 0.438 302 E N 0.939 121.191 120.200 0.087 0.000 2.349 302 E HA 0.225 4.573 4.350 -0.003 0.000 0.262 302 E C -0.373 176.290 176.600 0.106 0.000 1.088 302 E CA -0.269 56.174 56.400 0.071 0.000 0.899 302 E CB 0.883 30.637 29.700 0.090 0.000 1.044 302 E HN 0.316 nan 8.360 nan 0.000 0.420 303 I N 2.791 123.362 120.570 0.002 0.000 2.287 303 I HA 0.143 4.311 4.170 -0.003 0.000 0.290 303 I C -0.623 175.470 176.117 -0.039 0.000 1.069 303 I CA -0.331 61.022 61.300 0.088 0.000 1.237 303 I CB 0.007 38.050 38.000 0.072 0.000 1.418 303 I HN 0.336 nan 8.210 nan 0.000 0.481 304 H N 6.517 125.671 119.070 0.140 0.000 2.556 304 H HA 0.596 5.150 4.556 -0.003 0.000 0.310 304 H C -0.586 174.701 175.328 -0.069 0.000 1.057 304 H CA -0.293 55.785 56.048 0.050 0.000 1.264 304 H CB 1.026 30.781 29.762 -0.012 0.000 1.404 304 H HN 0.416 nan 8.280 nan 0.000 0.462 305 L N 2.969 124.193 121.223 0.002 0.000 2.342 305 L HA 0.579 4.918 4.340 -0.003 0.000 0.271 305 L C -0.452 176.366 176.870 -0.087 0.000 1.008 305 L CA -1.214 53.565 54.840 -0.101 0.000 0.818 305 L CB 2.092 44.073 42.059 -0.131 0.000 1.296 305 L HN 0.329 nan 8.230 nan 0.000 0.427 306 V N 2.720 122.561 119.914 -0.122 0.000 2.769 306 V HA 0.476 4.594 4.120 -0.003 0.000 0.312 306 V C -0.842 175.242 176.094 -0.018 0.000 1.058 306 V CA -0.717 61.550 62.300 -0.055 0.000 0.952 306 V CB 2.242 34.019 31.823 -0.078 0.000 1.019 306 V HN 0.566 nan 8.190 nan 0.000 0.445 307 L N 6.972 128.228 121.223 0.055 0.000 2.270 307 L HA 0.555 4.894 4.340 -0.003 0.000 0.286 307 L C -0.347 176.700 176.870 0.295 0.000 1.059 307 L CA 0.198 55.130 54.840 0.153 0.000 0.839 307 L CB 0.291 42.425 42.059 0.125 0.000 1.221 307 L HN 0.886 nan 8.230 nan 0.000 0.431 308 D N 1.591 122.139 120.400 0.246 0.000 2.585 308 D HA 0.344 4.982 4.640 -0.003 0.000 0.254 308 D C -0.744 175.584 176.300 0.046 0.000 1.067 308 D CA -0.594 53.507 54.000 0.169 0.000 1.090 308 D CB 1.133 41.980 40.800 0.078 0.000 1.408 308 D HN 0.220 nan 8.370 nan 0.000 0.554 309 T N 1.328 115.821 114.554 -0.101 0.000 2.832 309 T HA 0.396 4.744 4.350 -0.003 0.000 0.296 309 T C -2.275 172.376 174.700 -0.081 0.000 0.968 309 T CA -0.683 61.292 62.100 -0.209 0.000 1.107 309 T CB 0.886 69.612 68.868 -0.237 0.000 0.916 309 T HN 0.207 nan 8.240 nan 0.000 0.517 310 P HA 0.140 nan 4.420 nan 0.000 0.266 310 P C -2.259 174.961 177.300 -0.134 0.000 1.195 310 P CA -1.069 61.956 63.100 -0.125 0.000 0.768 310 P CB -0.277 31.346 31.700 -0.128 0.000 0.838 311 P HA 0.033 nan 4.420 nan 0.000 0.271 311 P C -0.482 176.748 177.300 -0.117 0.000 1.226 311 P CA 0.092 63.115 63.100 -0.129 0.000 0.765 311 P CB 0.416 32.026 31.700 -0.150 0.000 0.835 312 D N 5.624 125.976 120.400 -0.080 0.000 2.382 312 D HA 0.003 4.642 4.640 -0.003 0.000 0.259 312 D C -0.996 175.273 176.300 -0.052 0.000 1.224 312 D CA -1.913 52.049 54.000 -0.064 0.000 0.894 312 D CB 0.493 41.261 40.800 -0.052 0.000 1.127 312 D HN 0.229 nan 8.370 nan 0.000 0.487 313 P HA -0.142 nan 4.420 nan 0.000 0.226 313 P C 0.806 178.106 177.300 -0.000 0.000 1.146 313 P CA 0.614 63.707 63.100 -0.011 0.000 0.773 313 P CB 0.131 31.832 31.700 0.002 0.000 0.772 314 A N 0.056 122.866 122.820 -0.016 0.000 2.067 314 A HA -0.052 4.267 4.320 -0.003 0.000 0.219 314 A C 2.211 179.784 177.584 -0.018 0.000 1.158 314 A CA 0.718 52.745 52.037 -0.017 0.000 0.661 314 A CB -1.326 17.659 19.000 -0.025 0.000 0.801 314 A HN 0.178 nan 8.150 nan 0.000 0.452 315 L N -0.521 120.688 121.223 -0.023 0.000 2.465 315 L HA -0.070 4.269 4.340 -0.003 0.000 0.224 315 L C 0.712 177.576 176.870 -0.010 0.000 1.145 315 L CA 0.643 55.466 54.840 -0.028 0.000 0.834 315 L CB -0.226 41.809 42.059 -0.039 0.000 0.944 315 L HN 0.262 nan 8.230 nan 0.000 0.451 316 D N -0.059 120.351 120.400 0.017 0.000 2.342 316 D HA -0.008 4.630 4.640 -0.003 0.000 0.221 316 D C 0.627 176.961 176.300 0.056 0.000 1.101 316 D CA 0.057 54.096 54.000 0.065 0.000 0.837 316 D CB 0.163 41.059 40.800 0.161 0.000 0.938 316 D HN 0.356 nan 8.370 nan 0.000 0.508 317 E N 1.013 121.222 120.200 0.015 0.000 2.568 317 E HA -0.020 4.328 4.350 -0.003 0.000 0.262 317 E C -0.597 175.996 176.600 -0.011 0.000 0.961 317 E CA 0.225 56.622 56.400 -0.006 0.000 0.945 317 E CB 0.789 30.474 29.700 -0.025 0.000 0.924 317 E HN -0.209 nan 8.360 nan 0.000 0.467 318 V N 5.341 125.241 119.914 -0.024 0.000 2.483 318 V HA 0.278 4.397 4.120 -0.003 0.000 0.295 318 V C 0.612 176.668 176.094 -0.063 0.000 1.035 318 V CA -0.554 61.727 62.300 -0.031 0.000 0.896 318 V CB 1.583 33.387 31.823 -0.032 0.000 0.986 318 V HN 0.746 nan 8.190 nan 0.000 0.447 319 R N 2.724 123.164 120.500 -0.100 0.000 2.811 319 R HA 0.120 4.458 4.340 -0.003 0.000 0.265 319 R C 0.359 176.591 176.300 -0.113 0.000 1.026 319 R CA -0.197 55.798 56.100 -0.175 0.000 1.142 319 R CB 0.438 30.510 30.300 -0.380 0.000 1.027 319 R HN 0.762 nan 8.270 nan 0.000 0.465 320 K N 1.580 121.911 120.400 -0.115 0.000 2.436 320 K HA 0.023 4.342 4.320 -0.003 0.000 0.275 320 K C -0.195 176.374 176.600 -0.052 0.000 0.999 320 K CA -0.162 56.081 56.287 -0.073 0.000 0.980 320 K CB 0.888 33.346 32.500 -0.069 0.000 0.919 320 K HN 0.371 nan 8.250 nan 0.000 0.484 352 V N 2.557 122.493 119.914 0.036 0.000 2.464 352 V HA 0.584 4.702 4.120 -0.003 0.000 0.255 352 V C -0.110 175.991 176.094 0.010 0.000 0.946 352 V CA -0.646 61.663 62.300 0.014 0.000 0.988 352 V CB 0.916 32.736 31.823 -0.006 0.000 1.210 352 V HN 0.529 nan 8.190 nan 0.000 0.523 353 S N 2.316 118.028 115.700 0.020 0.000 2.585 353 S HA 0.656 5.125 4.470 -0.003 0.000 0.273 353 S C 0.185 174.793 174.600 0.015 0.000 1.339 353 S CA -0.100 58.123 58.200 0.037 0.000 1.028 353 S CB 0.635 63.876 63.200 0.068 0.000 0.906 353 S HN 0.480 nan 8.310 nan 0.000 0.528 354 L N 2.397 123.644 121.223 0.039 0.000 2.902 354 L HA 0.401 4.739 4.340 -0.003 0.000 0.229 354 L C 1.533 178.458 176.870 0.092 0.000 1.324 354 L CA -1.083 53.770 54.840 0.022 0.000 1.230 354 L CB -0.268 41.833 42.059 0.069 0.000 2.134 354 L HN 0.672 nan 8.230 nan 0.000 0.567 355 W N 1.470 122.796 121.300 0.042 0.000 2.315 355 W HA -0.182 4.476 4.660 -0.002 0.000 0.323 355 W C 0.528 177.073 176.519 0.044 0.000 1.233 355 W CA 1.289 58.657 57.345 0.040 0.000 1.267 355 W CB -0.817 28.660 29.460 0.029 0.000 1.160 355 W HN 0.650 nan 8.180 nan 0.000 0.474 356 D N -0.225 120.356 120.400 0.302 0.000 2.660 356 D HA -0.045 4.593 4.640 -0.003 0.000 0.253 356 D C -0.416 175.977 176.300 0.156 0.000 1.256 356 D CA 0.521 54.628 54.000 0.178 0.000 0.914 356 D CB -0.437 40.442 40.800 0.131 0.000 1.137 356 D HN -0.142 nan 8.370 nan 0.000 0.542 357 C N 3.002 122.388 119.300 0.143 0.000 2.993 357 C HA 0.079 4.537 4.460 -0.003 0.000 0.298 357 C C 0.917 175.975 174.990 0.113 0.000 0.906 357 C CA -0.881 58.222 59.018 0.141 0.000 1.090 357 C CB -0.220 27.636 27.740 0.195 0.000 1.656 357 C HN 0.779 nan 8.230 nan 0.000 0.648 358 D N 1.246 121.691 120.400 0.076 0.000 2.311 358 D HA -0.110 4.528 4.640 -0.003 0.000 0.212 358 D C 1.247 177.581 176.300 0.058 0.000 0.972 358 D CA 1.226 55.258 54.000 0.054 0.000 0.887 358 D CB 0.255 41.073 40.800 0.031 0.000 0.915 358 D HN 0.439 nan 8.370 nan 0.000 0.497 359 R N 0.954 121.493 120.500 0.064 0.000 2.679 359 R HA 0.090 4.429 4.340 -0.003 0.000 0.268 359 R C -0.161 176.201 176.300 0.103 0.000 1.044 359 R CA 0.003 56.138 56.100 0.057 0.000 1.105 359 R CB 0.411 30.731 30.300 0.034 0.000 0.989 359 R HN -0.117 nan 8.270 nan 0.000 0.447 360 K N 3.413 123.869 120.400 0.094 0.000 2.270 360 K HA 0.071 4.389 4.320 -0.003 0.000 0.276 360 K C -0.111 176.619 176.600 0.217 0.000 1.023 360 K CA -0.258 56.122 56.287 0.155 0.000 0.955 360 K CB 0.335 32.909 32.500 0.124 0.000 0.975 360 K HN 0.444 nan 8.250 nan 0.000 0.471 361 F N 3.476 123.528 119.950 0.171 0.000 2.471 361 F HA 0.103 4.629 4.527 -0.003 0.000 0.353 361 F C 0.568 176.598 175.800 0.384 0.000 1.113 361 F CA 0.058 58.188 58.000 0.216 0.000 1.262 361 F CB 0.600 39.673 39.000 0.121 0.000 1.146 361 F HN 0.535 nan 8.300 nan 0.000 0.578 362 R N 4.419 124.596 120.500 -0.539 0.000 2.707 362 R HA 0.832 5.171 4.340 -0.003 0.000 0.272 362 R C -2.335 173.841 176.300 -0.206 0.000 1.011 362 R CA -1.170 54.858 56.100 -0.121 0.000 0.893 362 R CB 1.789 32.122 30.300 0.056 0.000 1.233 362 R HN 0.583 nan 8.270 nan 0.000 0.464 363 V N 0.906 120.922 119.914 0.169 0.000 2.925 363 V HA 0.530 4.649 4.120 -0.003 0.000 0.311 363 V C -1.339 174.698 176.094 -0.096 0.000 1.104 363 V CA -0.908 61.450 62.300 0.097 0.000 0.954 363 V CB 2.316 34.252 31.823 0.187 0.000 1.022 363 V HN 0.851 nan 8.190 nan 0.000 0.427 364 K N 5.980 126.055 120.400 -0.541 0.000 2.235 364 K HA 0.549 4.867 4.320 -0.003 0.000 0.266 364 K C -1.007 175.357 176.600 -0.394 0.000 0.980 364 K CA -0.736 55.037 56.287 -0.855 0.000 0.849 364 K CB 1.132 32.607 32.500 -1.708 0.000 1.098 364 K HN 0.605 nan 8.250 nan 0.000 0.445 365 I N 6.415 126.828 120.570 -0.261 0.000 2.291 365 I HA 0.154 4.323 4.170 -0.003 0.000 0.292 365 I C 1.286 177.380 176.117 -0.037 0.000 1.064 365 I CA -0.029 61.200 61.300 -0.118 0.000 1.269 365 I CB 0.695 38.617 38.000 -0.130 0.000 1.418 365 I HN 0.738 nan 8.210 nan 0.000 0.485 366 R N 3.974 124.454 120.500 -0.033 0.000 2.055 366 R HA 0.260 4.598 4.340 -0.003 0.000 0.226 366 R C 0.958 177.322 176.300 0.106 0.000 1.135 366 R CA 0.686 56.789 56.100 0.004 0.000 0.959 366 R CB 0.133 30.411 30.300 -0.037 0.000 0.854 366 R HN 0.748 nan 8.270 nan 0.000 0.431 367 G N 0.452 109.329 108.800 0.127 0.000 2.349 367 G HA2 0.429 4.388 3.960 -0.003 0.000 0.294 367 G HA3 0.429 4.388 3.960 -0.003 0.000 0.294 367 G C -1.591 173.395 174.900 0.144 0.000 1.380 367 G CA -0.874 44.335 45.100 0.181 0.000 0.811 367 G HN 0.180 nan 8.290 nan 0.000 0.519 368 I N -2.159 118.496 120.570 0.140 0.000 2.689 368 I HA 0.854 5.023 4.170 -0.003 0.000 0.299 368 I C -1.783 174.348 176.117 0.023 0.000 1.059 368 I CA -1.075 60.271 61.300 0.076 0.000 1.055 368 I CB 2.685 40.771 38.000 0.143 0.000 1.243 368 I HN 0.321 nan 8.210 nan 0.000 0.425 369 D N 5.044 125.426 120.400 -0.029 0.000 2.964 369 D HA 0.658 5.296 4.640 -0.003 0.000 0.234 369 D C -1.182 175.088 176.300 -0.050 0.000 1.223 369 D CA -0.174 53.808 54.000 -0.030 0.000 0.889 369 D CB 3.126 43.902 40.800 -0.040 0.000 1.609 369 D HN 0.668 nan 8.370 nan 0.000 0.523 370 I N 2.879 123.431 120.570 -0.031 0.000 2.548 370 I HA 0.292 4.460 4.170 -0.003 0.000 0.287 370 I C -2.109 173.980 176.117 -0.045 0.000 1.103 370 I CA -2.457 58.812 61.300 -0.050 0.000 1.049 370 I CB 2.409 40.373 38.000 -0.059 0.000 1.232 370 I HN 0.198 nan 8.210 nan 0.000 0.429 371 P HA -0.152 nan 4.420 nan 0.000 0.216 371 P C -0.244 177.028 177.300 -0.047 0.000 1.167 371 P CA 1.206 64.285 63.100 -0.035 0.000 0.914 371 P CB 0.071 31.755 31.700 -0.026 0.000 0.793 372 V N -0.438 119.449 119.914 -0.045 0.000 2.667 372 V HA 0.350 4.468 4.120 -0.003 0.000 0.308 372 V C -0.034 176.009 176.094 -0.085 0.000 1.048 372 V CA -0.828 61.439 62.300 -0.055 0.000 0.928 372 V CB 1.462 33.268 31.823 -0.029 0.000 1.004 372 V HN -0.137 nan 8.190 nan 0.000 0.444 373 L N 2.837 123.974 121.223 -0.145 0.000 2.323 373 L HA 0.886 5.225 4.340 -0.003 0.000 0.265 373 L C -2.477 174.285 176.870 -0.181 0.000 1.012 373 L CA -2.092 52.588 54.840 -0.268 0.000 0.820 373 L CB -0.423 41.313 42.059 -0.539 0.000 1.334 373 L HN 0.331 nan 8.230 nan 0.000 0.427 374 P HA 0.075 nan 4.420 nan 0.000 0.271 374 P C -0.894 176.381 177.300 -0.041 0.000 1.212 374 P CA 0.078 63.160 63.100 -0.029 0.000 0.788 374 P CB 0.196 31.938 31.700 0.069 0.000 0.865 375 R N 0.044 120.544 120.500 0.000 0.000 3.436 375 R HA 0.419 4.757 4.340 -0.003 0.000 0.247 375 R C -0.308 176.001 176.300 0.014 0.000 1.434 375 R CA -0.453 55.646 56.100 -0.001 0.000 1.543 375 R CB -0.483 29.820 30.300 0.005 0.000 1.289 375 R HN 0.293 nan 8.270 nan 0.000 0.664 376 T N -0.748 113.815 114.554 0.014 0.000 3.286 376 T HA 0.110 4.459 4.350 -0.003 0.000 0.271 376 T C 1.001 175.719 174.700 0.029 0.000 0.847 376 T CA 0.125 62.244 62.100 0.032 0.000 0.826 376 T CB 0.610 69.513 68.868 0.059 0.000 1.250 376 T HN 0.422 nan 8.240 nan 0.000 0.686 377 A N 1.778 124.602 122.820 0.007 0.000 2.647 377 A HA -0.263 4.055 4.320 -0.003 0.000 0.312 377 A C 0.683 178.285 177.584 0.030 0.000 1.483 377 A CA 1.954 53.988 52.037 -0.005 0.000 1.063 377 A CB -1.329 17.658 19.000 -0.022 0.000 0.882 377 A HN 0.553 nan 8.150 nan 0.000 0.509 378 D N -0.988 119.448 120.400 0.061 0.000 2.650 378 D HA 0.349 4.987 4.640 -0.003 0.000 0.265 378 D C 0.144 176.510 176.300 0.110 0.000 1.339 378 D CA -0.109 53.934 54.000 0.072 0.000 0.816 378 D CB 0.131 40.964 40.800 0.055 0.000 1.091 378 D HN 0.566 nan 8.370 nan 0.000 0.483 379 L N 0.233 121.551 121.223 0.159 0.000 2.439 379 L HA 0.370 4.708 4.340 -0.003 0.000 0.261 379 L C 0.869 177.888 176.870 0.249 0.000 1.153 379 L CA 0.040 55.016 54.840 0.226 0.000 0.808 379 L CB 1.330 43.601 42.059 0.354 0.000 1.126 379 L HN -0.167 nan 8.230 nan 0.000 0.460 380 T N 1.467 116.147 114.554 0.209 0.000 2.887 380 T HA 0.720 5.068 4.350 -0.003 0.000 0.288 380 T C -0.957 173.837 174.700 0.157 0.000 1.021 380 T CA -0.533 61.687 62.100 0.200 0.000 1.000 380 T CB 1.426 70.409 68.868 0.191 0.000 1.034 380 T HN 0.473 nan 8.240 nan 0.000 0.467 381 V N 2.343 122.360 119.914 0.171 0.000 3.012 381 V HA 0.958 5.077 4.120 -0.003 0.000 0.307 381 V C -1.178 175.130 176.094 0.357 0.000 1.166 381 V CA -1.333 61.011 62.300 0.075 0.000 0.974 381 V CB 1.228 32.889 31.823 -0.269 0.000 1.040 381 V HN 0.981 nan 8.190 nan 0.000 0.428 382 F N 1.173 121.216 119.950 0.155 0.000 2.613 382 F HA 0.965 5.491 4.527 -0.002 0.000 0.314 382 F C -1.017 174.704 175.800 -0.132 0.000 1.075 382 F CA -1.399 56.612 58.000 0.019 0.000 0.945 382 F CB 1.714 40.719 39.000 0.008 0.000 1.310 382 F HN 0.411 nan 8.300 nan 0.000 0.467 383 V N 1.392 121.139 119.914 -0.278 0.000 2.472 383 V HA 0.381 4.500 4.120 -0.003 0.000 0.290 383 V C -0.539 175.580 176.094 0.043 0.000 1.037 383 V CA -0.559 61.604 62.300 -0.229 0.000 0.908 383 V CB 1.381 32.941 31.823 -0.438 0.000 0.985 383 V HN 0.884 nan 8.190 nan 0.000 0.454 384 E N 3.449 123.732 120.200 0.138 0.000 2.176 384 E HA 0.709 5.057 4.350 -0.003 0.000 0.267 384 E C -0.863 175.843 176.600 0.177 0.000 0.893 384 E CA -0.736 55.807 56.400 0.238 0.000 0.761 384 E CB 1.734 31.692 29.700 0.431 0.000 1.133 384 E HN 0.805 nan 8.360 nan 0.000 0.409 385 A N 5.110 128.045 122.820 0.191 0.000 2.304 385 A HA 0.497 4.816 4.320 -0.003 0.000 0.314 385 A C -0.920 176.891 177.584 0.378 0.000 1.187 385 A CA -0.855 51.349 52.037 0.277 0.000 0.810 385 A CB 0.746 19.968 19.000 0.370 0.000 1.183 385 A HN 0.702 nan 8.150 nan 0.000 0.487 386 N N 1.961 120.818 118.700 0.262 0.000 2.314 386 N HA 0.427 5.165 4.740 -0.003 0.000 0.304 386 N C -1.148 174.398 175.510 0.060 0.000 1.073 386 N CA -0.525 52.650 53.050 0.208 0.000 0.822 386 N CB 1.901 40.477 38.487 0.148 0.000 1.280 386 N HN 0.407 nan 8.380 nan 0.000 0.489 387 I N 2.230 122.783 120.570 -0.029 0.000 2.307 387 I HA 0.216 4.385 4.170 -0.003 0.000 0.287 387 I C 0.372 176.463 176.117 -0.043 0.000 1.054 387 I CA -0.197 61.001 61.300 -0.171 0.000 1.218 387 I CB 0.157 37.965 38.000 -0.320 0.000 1.398 387 I HN 0.255 nan 8.210 nan 0.000 0.475 388 Q N 4.982 124.773 119.800 -0.015 0.000 2.226 388 Q HA 0.567 4.905 4.340 -0.003 0.000 0.256 388 Q C -1.506 174.549 176.000 0.091 0.000 0.962 388 Q CA -0.734 55.087 55.803 0.030 0.000 0.887 388 Q CB 2.974 31.718 28.738 0.009 0.000 1.282 388 Q HN 0.456 nan 8.270 nan 0.000 0.449 389 Y N -1.221 119.029 120.300 -0.083 0.000 2.442 389 Y HA 0.363 4.912 4.550 -0.003 0.000 0.330 389 Y C 0.254 176.063 175.900 -0.152 0.000 1.100 389 Y CA 0.190 58.219 58.100 -0.119 0.000 1.034 389 Y CB 1.940 40.349 38.460 -0.085 0.000 1.285 389 Y HN 0.827 nan 8.280 nan 0.000 0.440 390 G N 4.801 113.295 108.800 -0.510 0.000 2.395 390 G HA2 -0.358 3.601 3.960 -0.003 0.000 0.300 390 G HA3 -0.358 3.601 3.960 -0.003 0.000 0.300 390 G C 0.479 175.227 174.900 -0.254 0.000 0.998 390 G CA 1.385 46.230 45.100 -0.425 0.000 1.046 390 G HN 1.162 nan 8.290 nan 0.000 0.513 391 Q N -2.363 117.326 119.800 -0.184 0.000 2.393 391 Q HA -0.301 4.038 4.340 -0.003 0.000 0.235 391 Q C 0.693 176.643 176.000 -0.083 0.000 0.823 391 Q CA 2.485 58.215 55.803 -0.122 0.000 1.284 391 Q CB -0.884 27.765 28.738 -0.149 0.000 1.669 391 Q HN 1.286 nan 8.270 nan 0.000 0.597 392 Q N -0.685 119.084 119.800 -0.052 0.000 2.309 392 Q HA 0.586 4.924 4.340 -0.003 0.000 0.264 392 Q C -0.244 175.774 176.000 0.030 0.000 1.008 392 Q CA -0.405 55.393 55.803 -0.009 0.000 0.853 392 Q CB 1.978 30.723 28.738 0.011 0.000 1.314 392 Q HN 0.315 nan 8.270 nan 0.000 0.448 393 V N 2.449 122.385 119.914 0.036 0.000 2.406 393 V HA 0.210 4.328 4.120 -0.003 0.000 0.272 393 V C 0.816 176.945 176.094 0.057 0.000 1.043 393 V CA -0.441 61.891 62.300 0.054 0.000 0.915 393 V CB 0.299 32.163 31.823 0.069 0.000 0.988 393 V HN 0.981 nan 8.190 nan 0.000 0.466 394 L N 3.024 124.279 121.223 0.054 0.000 2.127 394 L HA 0.219 4.558 4.340 -0.003 0.000 0.203 394 L C 1.106 178.017 176.870 0.069 0.000 1.080 394 L CA 1.171 56.037 54.840 0.044 0.000 0.768 394 L CB 0.167 42.232 42.059 0.011 0.000 0.924 394 L HN 0.823 nan 8.230 nan 0.000 0.444 395 C N -0.704 118.661 119.300 0.108 0.000 3.082 395 C HA 0.489 4.948 4.460 -0.003 0.000 0.324 395 C C -1.141 174.030 174.990 0.303 0.000 1.210 395 C CA -0.543 58.601 59.018 0.209 0.000 1.366 395 C CB 1.835 29.762 27.740 0.311 0.000 1.756 395 C HN 0.427 nan 8.230 nan 0.000 0.485 396 Q N 3.948 123.914 119.800 0.277 0.000 2.372 396 Q HA 0.757 5.095 4.340 -0.003 0.000 0.273 396 Q C -1.376 174.702 176.000 0.130 0.000 1.078 396 Q CA -0.594 55.362 55.803 0.255 0.000 0.806 396 Q CB 1.626 30.456 28.738 0.153 0.000 1.332 396 Q HN 0.782 nan 8.270 nan 0.000 0.435 397 R N 2.257 122.799 120.500 0.070 0.000 2.698 397 R HA 0.607 4.945 4.340 -0.003 0.000 0.275 397 R C -1.079 175.193 176.300 -0.047 0.000 1.001 397 R CA -0.619 55.405 56.100 -0.127 0.000 0.896 397 R CB 2.180 32.186 30.300 -0.489 0.000 1.218 397 R HN 0.754 nan 8.270 nan 0.000 0.462 398 R N -0.280 120.171 120.500 -0.082 0.000 2.808 398 R HA 0.503 4.842 4.340 -0.003 0.000 0.272 398 R C -0.178 176.040 176.300 -0.136 0.000 0.995 398 R CA -0.792 55.275 56.100 -0.055 0.000 0.917 398 R CB 2.340 32.596 30.300 -0.073 0.000 1.217 398 R HN 0.783 nan 8.270 nan 0.000 0.471 399 T N -1.742 112.706 114.554 -0.176 0.000 2.897 399 T HA 0.370 4.718 4.350 -0.003 0.000 0.278 399 T C 0.553 175.171 174.700 -0.136 0.000 0.981 399 T CA -0.810 61.119 62.100 -0.285 0.000 0.973 399 T CB 1.341 69.700 68.868 -0.848 0.000 1.092 399 T HN 0.582 nan 8.240 nan 0.000 0.543 400 S N 0.682 116.397 115.700 0.024 0.000 2.600 400 S HA 0.459 4.927 4.470 -0.003 0.000 0.265 400 S C -2.741 172.051 174.600 0.320 0.000 1.325 400 S CA -1.103 57.170 58.200 0.123 0.000 1.002 400 S CB -0.298 63.008 63.200 0.177 0.000 0.921 400 S HN 0.624 nan 8.310 nan 0.000 0.554 401 P HA 0.463 nan 4.420 nan 0.000 0.279 401 P C -0.738 176.751 177.300 0.315 0.000 1.239 401 P CA -0.512 62.792 63.100 0.340 0.000 0.789 401 P CB 0.552 32.377 31.700 0.208 0.000 0.933 402 K N 2.389 122.985 120.400 0.327 0.000 2.512 402 K HA 0.444 4.763 4.320 -0.003 0.000 0.263 402 K C -2.718 173.963 176.600 0.136 0.000 0.966 402 K CA -2.346 54.028 56.287 0.145 0.000 0.851 402 K CB 1.999 34.463 32.500 -0.061 0.000 1.395 402 K HN 0.292 nan 8.250 nan 0.000 0.440 403 P HA -0.089 nan 4.420 nan 0.000 0.266 403 P C -0.671 176.747 177.300 0.197 0.000 1.195 403 P CA -0.013 63.160 63.100 0.122 0.000 0.768 403 P CB 0.285 32.024 31.700 0.064 0.000 0.838 404 F N 3.711 123.689 119.950 0.047 0.000 2.439 404 F HA 0.335 4.861 4.527 -0.003 0.000 0.356 404 F C 0.276 176.087 175.800 0.017 0.000 1.161 404 F CA -0.317 57.712 58.000 0.049 0.000 1.151 404 F CB -0.490 38.558 39.000 0.081 0.000 1.222 404 F HN 0.175 nan 8.300 nan 0.000 0.558 405 T N 3.772 118.452 114.554 0.210 0.000 2.916 405 T HA 0.268 4.617 4.350 -0.003 0.000 0.292 405 T C 1.095 175.778 174.700 -0.029 0.000 1.064 405 T CA -0.438 61.646 62.100 -0.026 0.000 1.011 405 T CB 1.189 70.048 68.868 -0.016 0.000 1.152 405 T HN 0.635 nan 8.240 nan 0.000 0.510 406 E N 0.665 120.810 120.200 -0.092 0.000 2.169 406 E HA -0.154 4.195 4.350 -0.003 0.000 0.202 406 E C 0.540 177.133 176.600 -0.013 0.000 1.016 406 E CA 1.055 57.416 56.400 -0.066 0.000 0.817 406 E CB 0.147 29.807 29.700 -0.068 0.000 0.736 406 E HN 0.572 nan 8.360 nan 0.000 0.462 407 E N 0.437 120.627 120.200 -0.017 0.000 2.241 407 E HA 0.330 4.678 4.350 -0.003 0.000 0.263 407 E C -1.758 174.807 176.600 -0.059 0.000 0.882 407 E CA -0.407 55.978 56.400 -0.025 0.000 0.769 407 E CB 1.902 31.579 29.700 -0.040 0.000 1.185 407 E HN -0.173 nan 8.360 nan 0.000 0.415 408 V N 6.069 125.931 119.914 -0.087 0.000 2.443 408 V HA 0.382 4.500 4.120 -0.003 0.000 0.293 408 V C -0.264 175.619 176.094 -0.353 0.000 1.021 408 V CA -0.668 61.464 62.300 -0.281 0.000 0.848 408 V CB 1.241 32.845 31.823 -0.365 0.000 0.998 408 V HN 0.639 nan 8.190 nan 0.000 0.424 409 L N 3.632 124.629 121.223 -0.378 0.000 2.334 409 L HA 0.541 4.879 4.340 -0.003 0.000 0.275 409 L C 0.353 177.004 176.870 -0.365 0.000 1.036 409 L CA -0.266 54.436 54.840 -0.231 0.000 0.807 409 L CB 2.017 44.000 42.059 -0.127 0.000 1.231 409 L HN 0.638 nan 8.230 nan 0.000 0.438 410 W N 0.104 121.391 121.300 -0.022 0.000 4.011 410 W HA 0.066 4.724 4.660 -0.003 0.000 0.213 410 W C 0.792 177.288 176.519 -0.039 0.000 1.060 410 W CA 0.098 57.431 57.345 -0.020 0.000 1.775 410 W CB 0.175 29.624 29.460 -0.019 0.000 0.793 410 W HN 0.776 nan 8.180 nan 0.000 0.863 411 N N 1.223 120.021 118.700 0.163 0.000 2.714 411 N HA -0.181 4.557 4.740 -0.003 0.000 0.252 411 N C -1.367 174.156 175.510 0.021 0.000 1.014 411 N CA 0.638 53.704 53.050 0.028 0.000 0.735 411 N CB -1.186 37.315 38.487 0.023 0.000 0.924 411 N HN -0.197 nan 8.380 nan 0.000 0.540 412 V N 0.819 120.745 119.914 0.019 0.000 2.540 412 V HA 0.475 4.594 4.120 -0.003 0.000 0.302 412 V C 0.318 176.366 176.094 -0.076 0.000 1.035 412 V CA -0.794 61.524 62.300 0.031 0.000 0.873 412 V CB 1.130 33.009 31.823 0.093 0.000 0.992 412 V HN 0.272 nan 8.190 nan 0.000 0.428 413 W N 4.525 125.823 121.300 -0.003 0.000 2.287 413 W HA 0.583 5.242 4.660 -0.003 0.000 0.313 413 W C -0.186 176.282 176.519 -0.085 0.000 1.267 413 W CA -0.239 57.085 57.345 -0.036 0.000 1.201 413 W CB 0.835 30.275 29.460 -0.034 0.000 1.196 413 W HN 0.339 nan 8.180 nan 0.000 0.536 414 L N 3.855 125.152 121.223 0.124 0.000 2.295 414 L HA 0.310 4.648 4.340 -0.003 0.000 0.281 414 L C 0.035 176.813 176.870 -0.153 0.000 1.018 414 L CA -0.642 54.138 54.840 -0.100 0.000 0.841 414 L CB 1.054 42.978 42.059 -0.225 0.000 1.218 414 L HN 0.411 nan 8.230 nan 0.000 0.424 415 E N 2.884 122.996 120.200 -0.146 0.000 2.197 415 E HA 0.451 4.799 4.350 -0.003 0.000 0.281 415 E C -1.188 175.310 176.600 -0.170 0.000 0.995 415 E CA -0.646 55.713 56.400 -0.069 0.000 0.808 415 E CB 1.130 30.822 29.700 -0.013 0.000 1.093 415 E HN 0.239 nan 8.360 nan 0.000 0.394 416 F N 1.053 121.075 119.950 0.120 0.000 2.408 416 F HA 0.138 4.663 4.527 -0.002 0.000 0.325 416 F C 1.689 177.553 175.800 0.107 0.000 1.082 416 F CA -0.530 57.554 58.000 0.140 0.000 1.032 416 F CB 1.596 40.737 39.000 0.236 0.000 1.259 416 F HN 0.510 nan 8.300 nan 0.000 0.503 417 S N 0.414 116.278 115.700 0.275 0.000 2.607 417 S HA 0.124 4.593 4.470 -0.003 0.000 0.224 417 S C 0.309 175.000 174.600 0.151 0.000 0.969 417 S CA -0.064 58.232 58.200 0.160 0.000 0.927 417 S CB -0.598 62.665 63.200 0.105 0.000 0.772 417 S HN 0.516 nan 8.310 nan 0.000 0.533 418 I N 1.638 122.330 120.570 0.203 0.000 2.428 418 I HA 0.349 4.517 4.170 -0.003 0.000 0.296 418 I C -0.553 175.653 176.117 0.149 0.000 0.985 418 I CA -0.974 60.402 61.300 0.127 0.000 1.260 418 I CB 1.273 39.313 38.000 0.067 0.000 1.389 418 I HN -0.012 nan 8.210 nan 0.000 0.484 419 K N 7.075 127.533 120.400 0.096 0.000 2.218 419 K HA 0.230 4.548 4.320 -0.003 0.000 0.276 419 K C 0.966 177.639 176.600 0.123 0.000 1.022 419 K CA -0.729 55.625 56.287 0.111 0.000 0.946 419 K CB 1.197 33.738 32.500 0.068 0.000 1.000 419 K HN 0.510 nan 8.250 nan 0.000 0.468 420 I N 3.131 123.810 120.570 0.181 0.000 2.143 420 I HA -0.374 3.794 4.170 -0.003 0.000 0.245 420 I C 2.146 178.353 176.117 0.151 0.000 1.068 420 I CA 1.945 63.360 61.300 0.192 0.000 1.326 420 I CB -1.060 37.088 38.000 0.245 0.000 1.028 420 I HN 0.739 nan 8.210 nan 0.000 0.412 421 K N 0.216 120.711 120.400 0.158 0.000 2.360 421 K HA -0.157 4.162 4.320 -0.003 0.000 0.201 421 K C 1.014 177.691 176.600 0.128 0.000 1.046 421 K CA 1.486 57.894 56.287 0.202 0.000 0.945 421 K CB -0.198 32.391 32.500 0.147 0.000 0.750 421 K HN 0.302 nan 8.250 nan 0.000 0.464 422 D N 0.981 121.412 120.400 0.052 0.000 2.350 422 D HA 0.094 4.733 4.640 -0.003 0.000 0.213 422 D C 0.275 176.561 176.300 -0.023 0.000 1.031 422 D CA 0.107 54.099 54.000 -0.012 0.000 0.861 422 D CB 0.188 40.965 40.800 -0.037 0.000 0.926 422 D HN 0.190 nan 8.370 nan 0.000 0.520 423 L N 3.715 124.933 121.223 -0.009 0.000 2.534 423 L HA 0.109 4.448 4.340 -0.003 0.000 0.271 423 L C -1.892 174.958 176.870 -0.032 0.000 1.178 423 L CA -0.968 53.824 54.840 -0.079 0.000 0.907 423 L CB 0.171 42.156 42.059 -0.123 0.000 1.164 423 L HN -0.170 nan 8.230 nan 0.000 0.482 424 P HA 0.133 nan 4.420 nan 0.000 0.286 424 P C -1.019 176.303 177.300 0.037 0.000 1.261 424 P CA -0.867 62.175 63.100 -0.096 0.000 0.821 424 P CB 1.192 32.622 31.700 -0.450 0.000 1.013 425 K N 1.094 121.583 120.400 0.148 0.000 2.436 425 K HA 0.269 4.588 4.320 -0.003 0.000 0.282 425 K C 0.988 177.794 176.600 0.344 0.000 1.044 425 K CA 1.024 57.420 56.287 0.182 0.000 1.028 425 K CB -0.744 31.821 32.500 0.109 0.000 0.919 425 K HN 0.822 nan 8.250 nan 0.000 0.474 426 G N 2.019 111.005 108.800 0.311 0.000 2.184 426 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.206 426 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.206 426 G C 0.051 175.022 174.900 0.119 0.000 0.995 426 G CA -0.114 45.090 45.100 0.174 0.000 0.651 426 G HN 0.887 nan 8.290 nan 0.000 0.511 427 A N 0.133 123.111 122.820 0.263 0.000 2.407 427 A HA 0.750 5.069 4.320 -0.003 0.000 0.248 427 A C 0.281 177.857 177.584 -0.013 0.000 1.082 427 A CA 0.375 52.537 52.037 0.207 0.000 0.785 427 A CB 0.391 19.427 19.000 0.059 0.000 1.020 427 A HN 0.928 nan 8.150 nan 0.000 0.489 428 L N 1.093 122.291 121.223 -0.042 0.000 2.354 428 L HA 0.469 4.808 4.340 -0.003 0.000 0.269 428 L C -0.723 176.091 176.870 -0.093 0.000 1.005 428 L CA -0.914 53.877 54.840 -0.081 0.000 0.819 428 L CB 1.880 43.900 42.059 -0.065 0.000 1.311 428 L HN 0.649 nan 8.230 nan 0.000 0.423 429 L N 3.418 124.589 121.223 -0.088 0.000 2.259 429 L HA 0.335 4.674 4.340 -0.003 0.000 0.288 429 L C -0.126 176.748 176.870 0.006 0.000 1.051 429 L CA 0.204 55.010 54.840 -0.055 0.000 0.824 429 L CB 0.435 42.482 42.059 -0.020 0.000 1.206 429 L HN 0.563 nan 8.230 nan 0.000 0.429 430 N N 6.411 125.134 118.700 0.038 0.000 2.439 430 N HA 0.252 4.990 4.740 -0.003 0.000 0.249 430 N C -1.421 174.154 175.510 0.108 0.000 1.003 430 N CA -0.450 52.647 53.050 0.078 0.000 0.942 430 N CB 0.732 39.263 38.487 0.073 0.000 1.115 430 N HN 0.643 nan 8.380 nan 0.000 0.505 431 L N 3.081 124.367 121.223 0.105 0.000 2.272 431 L HA 0.389 4.727 4.340 -0.003 0.000 0.289 431 L C -0.012 176.913 176.870 0.091 0.000 1.032 431 L CA -0.507 54.387 54.840 0.090 0.000 0.810 431 L CB 1.515 43.604 42.059 0.050 0.000 1.205 431 L HN 0.428 nan 8.230 nan 0.000 0.422 432 Q N 3.886 123.722 119.800 0.060 0.000 2.397 432 Q HA 0.631 4.970 4.340 -0.003 0.000 0.275 432 Q C -1.204 174.712 176.000 -0.140 0.000 1.090 432 Q CA -0.713 55.076 55.803 -0.024 0.000 0.809 432 Q CB 3.482 32.178 28.738 -0.070 0.000 1.362 432 Q HN 0.525 nan 8.270 nan 0.000 0.431 433 I N 2.057 122.491 120.570 -0.226 0.000 2.378 433 I HA 0.350 4.519 4.170 -0.003 0.000 0.291 433 I C -1.159 174.650 176.117 -0.514 0.000 0.992 433 I CA -0.733 60.404 61.300 -0.272 0.000 1.154 433 I CB 0.815 38.776 38.000 -0.065 0.000 1.315 433 I HN 0.504 nan 8.210 nan 0.000 0.448 434 Y N 4.783 124.727 120.300 -0.594 0.000 2.360 434 Y HA 0.405 4.953 4.550 -0.002 0.000 0.337 434 Y C 0.108 175.749 175.900 -0.431 0.000 1.039 434 Y CA -0.436 57.315 58.100 -0.582 0.000 1.109 434 Y CB 1.804 39.688 38.460 -0.960 0.000 1.201 434 Y HN 0.498 nan 8.280 nan 0.000 0.458 435 C N 3.856 123.100 119.300 -0.094 0.000 2.293 435 C HA 0.897 5.356 4.460 -0.003 0.000 0.323 435 C C 0.468 175.501 174.990 0.072 0.000 1.240 435 C CA -0.087 58.905 59.018 -0.044 0.000 1.497 435 C CB -1.170 26.542 27.740 -0.045 0.000 2.171 435 C HN 1.023 nan 8.230 nan 0.000 0.465 436 G N 3.355 112.226 108.800 0.119 0.000 3.075 436 G HA2 0.846 4.804 3.960 -0.003 0.000 0.253 436 G HA3 0.846 4.804 3.960 -0.003 0.000 0.253 436 G C -0.908 174.071 174.900 0.132 0.000 1.353 436 G CA -0.082 45.101 45.100 0.137 0.000 1.051 436 G HN 1.263 nan 8.290 nan 0.000 0.553 437 A N -2.039 120.850 122.820 0.115 0.000 2.337 437 A HA 0.973 5.292 4.320 -0.003 0.000 0.331 437 A C 0.088 177.730 177.584 0.096 0.000 1.137 437 A CA 0.345 52.443 52.037 0.102 0.000 0.807 437 A CB 1.350 20.398 19.000 0.080 0.000 1.250 437 A HN 1.553 nan 8.150 nan 0.000 0.468 460 L N 4.804 125.959 121.223 -0.113 0.000 2.455 460 L HA 0.190 4.528 4.340 -0.003 0.000 0.272 460 L C -0.604 176.051 176.870 -0.358 0.000 1.174 460 L CA 0.996 55.498 54.840 -0.564 0.000 0.869 460 L CB 0.573 42.326 42.059 -0.511 0.000 1.130 460 L HN 0.976 nan 8.230 nan 0.000 0.474 461 L N 4.342 125.315 121.223 -0.416 0.000 2.806 461 L HA 0.280 4.618 4.340 -0.003 0.000 0.242 461 L C -0.815 175.617 176.870 -0.730 0.000 1.068 461 L CA -0.255 54.263 54.840 -0.538 0.000 0.923 461 L CB 0.479 42.162 42.059 -0.627 0.000 1.364 461 L HN 0.506 nan 8.230 nan 0.000 0.511 462 Y N -0.861 119.388 120.300 -0.085 0.000 2.534 462 Y HA 0.510 5.059 4.550 -0.003 0.000 0.345 462 Y C -0.807 175.109 175.900 0.027 0.000 1.031 462 Y CA -1.421 56.652 58.100 -0.044 0.000 1.022 462 Y CB 1.633 40.041 38.460 -0.086 0.000 1.292 462 Y HN -0.001 nan 8.280 nan 0.000 0.459 463 Y N -0.543 119.854 120.300 0.163 0.000 2.581 463 Y HA 0.860 5.409 4.550 -0.003 0.000 0.337 463 Y C -2.171 173.840 175.900 0.185 0.000 1.108 463 Y CA -1.514 56.655 58.100 0.115 0.000 1.033 463 Y CB 1.460 39.971 38.460 0.086 0.000 1.318 463 Y HN 0.614 nan 8.280 nan 0.000 0.459 464 V N 2.627 122.699 119.914 0.264 0.000 3.098 464 V HA 0.532 4.651 4.120 -0.003 0.000 0.294 464 V C -1.991 174.218 176.094 0.190 0.000 1.351 464 V CA -0.739 61.679 62.300 0.196 0.000 0.999 464 V CB 2.397 34.211 31.823 -0.015 0.000 1.104 464 V HN 1.023 nan 8.190 nan 0.000 0.438 465 N N 3.401 122.209 118.700 0.180 0.000 2.381 465 N HA 0.792 5.531 4.740 -0.003 0.000 0.294 465 N C -1.658 173.866 175.510 0.023 0.000 1.216 465 N CA -0.454 52.653 53.050 0.095 0.000 0.803 465 N CB 2.588 41.135 38.487 0.101 0.000 1.372 465 N HN 0.589 nan 8.380 nan 0.000 0.500 466 L N 0.887 122.087 121.223 -0.039 0.000 2.562 466 L HA 0.436 4.774 4.340 -0.003 0.000 0.266 466 L C -1.410 175.398 176.870 -0.102 0.000 0.949 466 L CA -0.376 54.400 54.840 -0.108 0.000 0.879 466 L CB 1.418 43.327 42.059 -0.249 0.000 1.278 466 L HN 0.451 nan 8.230 nan 0.000 0.404 467 L N 5.653 126.826 121.223 -0.083 0.000 2.462 467 L HA 0.127 4.466 4.340 -0.003 0.000 0.272 467 L C 1.246 178.076 176.870 -0.067 0.000 1.166 467 L CA 0.125 54.906 54.840 -0.098 0.000 0.880 467 L CB 0.693 42.678 42.059 -0.124 0.000 1.142 467 L HN 0.777 nan 8.230 nan 0.000 0.473 468 L N 4.626 125.797 121.223 -0.086 0.000 2.156 468 L HA 0.039 4.378 4.340 -0.003 0.000 0.208 468 L C 0.529 177.384 176.870 -0.025 0.000 1.095 468 L CA 0.968 55.748 54.840 -0.099 0.000 0.770 468 L CB 0.031 41.942 42.059 -0.246 0.000 0.914 468 L HN 0.519 nan 8.230 nan 0.000 0.439 469 I N 0.304 120.881 120.570 0.011 0.000 2.389 469 I HA 0.131 4.300 4.170 -0.003 0.000 0.288 469 I C -0.534 175.637 176.117 0.091 0.000 0.999 469 I CA -0.975 60.344 61.300 0.032 0.000 1.129 469 I CB 1.587 39.598 38.000 0.018 0.000 1.288 469 I HN 0.039 nan 8.210 nan 0.000 0.444 470 D N 4.355 124.781 120.400 0.043 0.000 2.433 470 D HA 0.005 4.644 4.640 -0.003 0.000 0.255 470 D C 1.365 177.610 176.300 -0.090 0.000 1.226 470 D CA -0.102 53.951 54.000 0.089 0.000 1.015 470 D CB 0.366 41.169 40.800 0.005 0.000 1.091 470 D HN 0.591 nan 8.370 nan 0.000 0.527 471 H N -0.635 118.357 119.070 -0.130 0.000 2.518 471 H HA -0.021 4.533 4.556 -0.003 0.000 0.292 471 H C 0.640 175.717 175.328 -0.419 0.000 1.068 471 H CA 0.780 56.590 56.048 -0.396 0.000 1.275 471 H CB -0.273 29.311 29.762 -0.297 0.000 1.375 471 H HN 0.367 nan 8.280 nan 0.000 0.563 472 R N -0.345 119.783 120.500 -0.619 0.000 2.507 472 R HA 0.100 4.438 4.340 -0.003 0.000 0.298 472 R C -0.364 176.001 176.300 0.110 0.000 0.999 472 R CA -0.262 55.679 56.100 -0.265 0.000 1.082 472 R CB 0.062 30.108 30.300 -0.425 0.000 1.246 472 R HN 0.107 nan 8.270 nan 0.000 0.553 473 F N -0.519 119.295 119.950 -0.227 0.000 3.034 473 F HA -0.273 4.252 4.527 -0.003 0.000 0.286 473 F C -0.065 175.655 175.800 -0.132 0.000 0.804 473 F CA 0.365 58.270 58.000 -0.158 0.000 1.161 473 F CB -1.868 37.037 39.000 -0.159 0.000 1.317 473 F HN 0.041 nan 8.300 nan 0.000 0.453 474 L N 0.598 121.816 121.223 -0.008 0.000 2.343 474 L HA 0.529 4.868 4.340 -0.003 0.000 0.275 474 L C 0.335 177.223 176.870 0.030 0.000 1.056 474 L CA -1.254 53.584 54.840 -0.002 0.000 0.804 474 L CB 1.198 43.239 42.059 -0.029 0.000 1.203 474 L HN -0.020 nan 8.230 nan 0.000 0.440 475 L N 2.825 124.074 121.223 0.043 0.000 2.410 475 L HA 0.199 4.537 4.340 -0.003 0.000 0.273 475 L C 0.426 177.405 176.870 0.182 0.000 1.152 475 L CA 0.214 55.101 54.840 0.077 0.000 0.855 475 L CB 0.532 42.618 42.059 0.045 0.000 1.129 475 L HN 0.473 nan 8.230 nan 0.000 0.463 476 R N 4.779 125.389 120.500 0.184 0.000 2.449 476 R HA 0.229 4.567 4.340 -0.003 0.000 0.296 476 R C -0.580 175.942 176.300 0.370 0.000 1.047 476 R CA 0.307 56.553 56.100 0.243 0.000 1.018 476 R CB 0.029 30.385 30.300 0.093 0.000 0.962 476 R HN 0.853 nan 8.270 nan 0.000 0.428 477 H N 1.678 120.906 119.070 0.263 0.000 2.977 477 H HA 0.716 5.271 4.556 -0.003 0.000 0.350 477 H C -0.042 175.460 175.328 0.290 0.000 1.238 477 H CA -0.623 55.577 56.048 0.254 0.000 1.124 477 H CB 1.156 30.994 29.762 0.128 0.000 1.866 477 H HN 0.819 nan 8.280 nan 0.000 0.550 478 G N 0.351 109.228 108.800 0.128 0.000 2.566 478 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.599 478 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.599 478 G C -1.128 173.716 174.900 -0.094 0.000 1.292 478 G CA -0.501 44.538 45.100 -0.100 0.000 0.922 478 G HN 0.753 nan 8.290 nan 0.000 0.514 479 E N -0.599 119.442 120.200 -0.265 0.000 2.277 479 E HA 0.611 4.960 4.350 -0.003 0.000 0.274 479 E C -1.088 175.231 176.600 -0.468 0.000 1.022 479 E CA -0.090 56.191 56.400 -0.197 0.000 0.853 479 E CB 1.547 31.166 29.700 -0.136 0.000 1.086 479 E HN 0.409 nan 8.360 nan 0.000 0.397 480 Y N -0.608 119.648 120.300 -0.073 0.000 2.504 480 Y HA 0.271 4.819 4.550 -0.003 0.000 0.344 480 Y C -0.508 175.330 175.900 -0.104 0.000 1.023 480 Y CA -0.854 57.186 58.100 -0.099 0.000 1.020 480 Y CB 1.986 40.357 38.460 -0.148 0.000 1.282 480 Y HN 0.117 nan 8.280 nan 0.000 0.454 481 V N 5.245 125.181 119.914 0.036 0.000 2.325 481 V HA 0.421 4.539 4.120 -0.003 0.000 0.280 481 V C -0.768 175.270 176.094 -0.093 0.000 1.016 481 V CA -0.663 61.599 62.300 -0.063 0.000 0.818 481 V CB 0.926 32.705 31.823 -0.074 0.000 1.019 481 V HN 0.531 nan 8.190 nan 0.000 0.434 482 L N 4.647 125.777 121.223 -0.155 0.000 2.313 482 L HA 0.601 4.940 4.340 -0.003 0.000 0.283 482 L C -0.036 176.645 176.870 -0.316 0.000 1.013 482 L CA -0.651 54.094 54.840 -0.157 0.000 0.816 482 L CB 1.256 43.248 42.059 -0.111 0.000 1.236 482 L HN 0.525 nan 8.230 nan 0.000 0.419 483 H N 4.348 123.305 119.070 -0.187 0.000 2.580 483 H HA 0.436 4.990 4.556 -0.002 0.000 0.322 483 H C -0.279 174.787 175.328 -0.436 0.000 1.082 483 H CA -0.132 55.748 56.048 -0.279 0.000 1.383 483 H CB 1.538 31.129 29.762 -0.285 0.000 1.450 483 H HN 0.507 nan 8.280 nan 0.000 0.505 484 M N 1.855 121.260 119.600 -0.326 0.000 2.494 484 M HA 0.272 4.750 4.480 -0.003 0.000 0.300 484 M C -0.502 175.492 176.300 -0.509 0.000 1.189 484 M CA -0.643 54.411 55.300 -0.410 0.000 0.982 484 M CB 1.347 33.835 32.600 -0.187 0.000 1.534 484 M HN 0.402 nan 8.290 nan 0.000 0.488 485 W N 0.303 121.368 121.300 -0.392 0.000 2.448 485 W HA 0.491 5.149 4.660 -0.003 0.000 0.339 485 W C -0.111 176.260 176.519 -0.246 0.000 1.124 485 W CA -0.373 56.722 57.345 -0.416 0.000 1.262 485 W CB 0.675 29.709 29.460 -0.709 0.000 1.251 485 W HN 0.474 nan 8.180 nan 0.000 0.597 486 Q N 2.380 122.296 119.800 0.193 0.000 2.256 486 Q HA 0.399 4.738 4.340 -0.003 0.000 0.257 486 Q C -0.882 175.179 176.000 0.102 0.000 0.936 486 Q CA -0.770 55.093 55.803 0.099 0.000 0.903 486 Q CB 1.317 30.131 28.738 0.127 0.000 1.263 486 Q HN 0.562 nan 8.270 nan 0.000 0.440 487 L N 2.883 124.113 121.223 0.013 0.000 2.360 487 L HA 0.084 4.422 4.340 -0.003 0.000 0.276 487 L C 0.920 177.782 176.870 -0.012 0.000 1.121 487 L CA 0.179 55.052 54.840 0.056 0.000 0.845 487 L CB 1.126 43.165 42.059 -0.033 0.000 1.143 487 L HN 0.825 nan 8.230 nan 0.000 0.452 488 S N 2.780 118.493 115.700 0.021 0.000 2.406 488 S HA 0.043 4.512 4.470 -0.003 0.000 0.224 488 S C 0.999 175.587 174.600 -0.021 0.000 1.030 488 S CA 0.527 58.732 58.200 0.009 0.000 0.958 488 S CB -0.033 63.188 63.200 0.035 0.000 0.811 488 S HN 0.819 nan 8.310 nan 0.000 0.489 489 G N 2.438 111.209 108.800 -0.048 0.000 2.439 489 G HA2 0.239 4.197 3.960 -0.003 0.000 0.298 489 G HA3 0.239 4.197 3.960 -0.003 0.000 0.298 489 G C -0.539 174.305 174.900 -0.093 0.000 1.044 489 G CA -0.459 44.598 45.100 -0.071 0.000 1.168 489 G HN 0.444 nan 8.290 nan 0.000 0.433 490 K N 2.463 122.828 120.400 -0.058 0.000 2.163 490 K HA 0.293 4.612 4.320 -0.003 0.000 0.267 490 K C 0.799 177.366 176.600 -0.056 0.000 1.098 490 K CA 0.287 56.542 56.287 -0.053 0.000 1.062 490 K CB 0.265 32.751 32.500 -0.023 0.000 1.033 490 K HN 0.561 nan 8.250 nan 0.000 0.396 498 N N -0.076 118.684 118.700 0.100 0.000 3.545 498 N HA 0.420 5.159 4.740 -0.003 0.000 0.227 498 N C 0.237 175.760 175.510 0.022 0.000 1.380 498 N CA -0.016 53.059 53.050 0.043 0.000 0.892 498 N CB 0.580 39.064 38.487 -0.005 0.000 1.441 498 N HN 0.048 nan 8.380 nan 0.000 0.497 499 A N 0.412 123.241 122.820 0.016 0.000 1.958 499 A HA -0.230 4.089 4.320 -0.003 0.000 0.221 499 A C 1.256 178.847 177.584 0.011 0.000 1.178 499 A CA 2.265 54.269 52.037 -0.054 0.000 0.642 499 A CB -0.911 17.867 19.000 -0.370 0.000 0.816 499 A HN 0.748 nan 8.150 nan 0.000 0.453 500 D N -0.373 119.974 120.400 -0.089 0.000 2.178 500 D HA -0.110 4.528 4.640 -0.003 0.000 0.201 500 D C 1.736 177.976 176.300 -0.100 0.000 0.980 500 D CA 1.217 55.079 54.000 -0.230 0.000 0.842 500 D CB -0.278 40.082 40.800 -0.734 0.000 0.948 500 D HN 0.518 nan 8.370 nan 0.000 0.472 501 K N 0.004 120.300 120.400 -0.173 0.000 2.442 501 K HA 0.015 4.334 4.320 -0.003 0.000 0.198 501 K C 1.618 178.173 176.600 -0.075 0.000 1.042 501 K CA 0.306 56.383 56.287 -0.351 0.000 0.958 501 K CB 0.134 32.366 32.500 -0.448 0.000 0.766 501 K HN 0.205 nan 8.250 nan 0.000 0.474 502 L N 0.033 121.270 121.223 0.024 0.000 2.607 502 L HA 0.044 4.383 4.340 -0.003 0.000 0.228 502 L C 1.112 178.031 176.870 0.082 0.000 1.123 502 L CA -0.128 54.747 54.840 0.058 0.000 0.890 502 L CB 0.233 42.337 42.059 0.075 0.000 1.103 502 L HN -0.044 nan 8.230 nan 0.000 0.468 503 T N -0.330 114.265 114.554 0.068 0.000 2.940 503 T HA -0.005 4.343 4.350 -0.003 0.000 0.309 503 T C 1.317 176.038 174.700 0.035 0.000 1.056 503 T CA 0.325 62.376 62.100 -0.081 0.000 1.137 503 T CB 0.823 69.405 68.868 -0.478 0.000 0.976 503 T HN 0.365 nan 8.240 nan 0.000 0.547 504 S N 2.980 118.675 115.700 -0.008 0.000 2.593 504 S HA 0.374 4.842 4.470 -0.003 0.000 0.217 504 S C 0.867 175.543 174.600 0.125 0.000 0.966 504 S CA -0.208 58.018 58.200 0.043 0.000 0.914 504 S CB 0.057 63.226 63.200 -0.051 0.000 0.776 504 S HN 0.886 nan 8.310 nan 0.000 0.523 505 A N 2.456 125.348 122.820 0.121 0.000 2.371 505 A HA 0.575 4.893 4.320 -0.003 0.000 0.257 505 A C 0.696 178.498 177.584 0.364 0.000 1.089 505 A CA -0.332 51.827 52.037 0.203 0.000 0.794 505 A CB 0.140 19.221 19.000 0.136 0.000 1.029 505 A HN 0.501 nan 8.150 nan 0.000 0.488 506 T N 0.168 114.806 114.554 0.140 0.000 2.934 506 T HA 0.362 4.710 4.350 -0.003 0.000 0.283 506 T C 0.121 174.442 174.700 -0.632 0.000 1.005 506 T CA -0.966 61.024 62.100 -0.183 0.000 1.041 506 T CB 0.717 69.552 68.868 -0.054 0.000 1.042 506 T HN 0.565 nan 8.240 nan 0.000 0.505 507 N N 2.730 120.683 118.700 -1.245 0.000 2.431 507 N HA 0.134 4.873 4.740 -0.003 0.000 0.265 507 N C -1.244 173.940 175.510 -0.544 0.000 1.184 507 N CA -2.090 50.141 53.050 -1.365 0.000 0.943 507 N CB 1.057 38.858 38.487 -1.143 0.000 1.080 507 N HN 0.417 nan 8.380 nan 0.000 0.477 508 P HA -0.055 nan 4.420 nan 0.000 0.226 508 P C -0.187 176.994 177.300 -0.198 0.000 1.153 508 P CA 0.567 63.565 63.100 -0.172 0.000 0.777 508 P CB 0.314 31.994 31.700 -0.034 0.000 0.794 509 D N 0.657 120.929 120.400 -0.213 0.000 2.483 509 D HA 0.072 4.710 4.640 -0.003 0.000 0.220 509 D C 1.147 177.277 176.300 -0.283 0.000 1.173 509 D CA -0.092 53.799 54.000 -0.182 0.000 0.964 509 D CB 0.278 41.016 40.800 -0.105 0.000 1.046 509 D HN -0.041 nan 8.370 nan 0.000 0.517 510 K N 1.577 121.746 120.400 -0.384 0.000 2.103 510 K HA -0.069 4.250 4.320 -0.003 0.000 0.204 510 K C 1.346 177.786 176.600 -0.266 0.000 1.052 510 K CA 0.803 56.724 56.287 -0.609 0.000 0.945 510 K CB 0.298 32.421 32.500 -0.628 0.000 0.722 510 K HN 0.446 nan 8.250 nan 0.000 0.443 511 E N 0.541 120.644 120.200 -0.161 0.000 2.338 511 E HA -0.104 4.245 4.350 -0.003 0.000 0.197 511 E C 1.116 177.683 176.600 -0.056 0.000 1.007 511 E CA 0.658 57.008 56.400 -0.083 0.000 0.849 511 E CB 0.053 29.715 29.700 -0.065 0.000 0.774 511 E HN 0.325 nan 8.360 nan 0.000 0.506 512 N N -0.021 118.642 118.700 -0.062 0.000 2.266 512 N HA 0.000 4.739 4.740 -0.003 0.000 0.217 512 N C 0.562 176.059 175.510 -0.023 0.000 1.211 512 N CA 0.258 53.289 53.050 -0.031 0.000 0.881 512 N CB 0.751 39.228 38.487 -0.016 0.000 1.153 512 N HN 0.003 nan 8.380 nan 0.000 0.489 513 S N 0.768 116.442 115.700 -0.043 0.000 2.655 513 S HA 0.424 4.892 4.470 -0.003 0.000 0.265 513 S C 0.265 174.826 174.600 -0.066 0.000 1.240 513 S CA -0.562 57.611 58.200 -0.044 0.000 0.986 513 S CB 1.291 64.439 63.200 -0.087 0.000 0.985 513 S HN 0.113 nan 8.310 nan 0.000 0.562 514 M N 2.190 121.663 119.600 -0.212 0.000 2.249 514 M HA 0.506 4.985 4.480 -0.003 0.000 0.351 514 M C -0.390 175.763 176.300 -0.245 0.000 1.180 514 M CA 0.045 55.139 55.300 -0.343 0.000 1.127 514 M CB 1.233 33.311 32.600 -0.870 0.000 1.546 514 M HN 0.909 nan 8.290 nan 0.000 0.461 515 S N 5.112 120.661 115.700 -0.253 0.000 2.542 515 S HA 0.794 5.263 4.470 -0.003 0.000 0.293 515 S C -0.878 173.575 174.600 -0.245 0.000 1.089 515 S CA -0.977 56.988 58.200 -0.391 0.000 0.961 515 S CB 1.343 64.132 63.200 -0.686 0.000 1.062 515 S HN 0.941 nan 8.310 nan 0.000 0.483 516 I N 1.546 121.985 120.570 -0.218 0.000 2.498 516 I HA 0.558 4.726 4.170 -0.003 0.000 0.290 516 I C -1.075 174.983 176.117 -0.099 0.000 1.032 516 I CA -0.371 60.862 61.300 -0.111 0.000 1.073 516 I CB 2.082 40.037 38.000 -0.076 0.000 1.251 516 I HN 0.767 nan 8.210 nan 0.000 0.426 517 S N 8.183 123.850 115.700 -0.055 0.000 2.433 517 S HA 0.660 5.129 4.470 -0.003 0.000 0.310 517 S C -0.407 174.176 174.600 -0.028 0.000 1.097 517 S CA -0.561 57.612 58.200 -0.044 0.000 1.103 517 S CB 0.902 64.076 63.200 -0.043 0.000 0.992 517 S HN 0.541 nan 8.310 nan 0.000 0.469 518 I N 0.320 120.881 120.570 -0.014 0.000 3.042 518 I HA 0.831 4.999 4.170 -0.003 0.000 0.310 518 I C -1.619 174.493 176.117 -0.008 0.000 1.117 518 I CA -1.475 59.806 61.300 -0.031 0.000 1.003 518 I CB 1.807 39.802 38.000 -0.008 0.000 1.228 518 I HN 0.457 nan 8.210 nan 0.000 0.443 519 L N 3.514 124.691 121.223 -0.077 0.000 2.409 519 L HA 0.694 5.033 4.340 -0.003 0.000 0.272 519 L C -1.779 175.107 176.870 0.027 0.000 0.980 519 L CA -0.353 54.467 54.840 -0.033 0.000 0.826 519 L CB 1.676 43.665 42.059 -0.116 0.000 1.268 519 L HN 0.636 nan 8.230 nan 0.000 0.407 520 L N 3.424 124.759 121.223 0.188 0.000 2.334 520 L HA 0.510 4.849 4.340 -0.003 0.000 0.272 520 L C -0.249 176.821 176.870 0.333 0.000 1.020 520 L CA -0.273 54.727 54.840 0.267 0.000 0.812 520 L CB 1.325 43.576 42.059 0.320 0.000 1.264 520 L HN 0.589 nan 8.230 nan 0.000 0.439 521 D N 2.036 122.649 120.400 0.355 0.000 2.658 521 D HA -0.145 4.494 4.640 -0.003 0.000 0.230 521 D C 0.043 176.555 176.300 0.353 0.000 1.118 521 D CA 0.887 55.103 54.000 0.360 0.000 0.848 521 D CB 0.333 41.351 40.800 0.363 0.000 1.160 521 D HN 0.456 nan 8.370 nan 0.000 0.497 522 N N 2.844 121.746 118.700 0.336 0.000 3.012 522 N HA 0.070 4.809 4.740 -0.003 0.000 0.270 522 N C -0.400 175.256 175.510 0.244 0.000 1.469 522 N CA -0.525 52.696 53.050 0.286 0.000 0.928 522 N CB 0.309 38.944 38.487 0.247 0.000 1.219 522 N HN 0.301 nan 8.380 nan 0.000 0.492 523 Y N -0.740 119.541 120.300 -0.032 0.000 3.248 523 Y HA 0.514 5.062 4.550 -0.002 0.000 0.373 523 Y C 1.516 177.267 175.900 -0.248 0.000 1.239 523 Y CA -0.704 57.338 58.100 -0.097 0.000 1.021 523 Y CB -0.780 37.640 38.460 -0.068 0.000 1.195 523 Y HN -0.013 nan 8.280 nan 0.000 0.890 524 C N 0.270 119.500 119.300 -0.116 0.000 6.565 524 C HA 0.078 4.536 4.460 -0.003 0.000 0.225 524 C C 0.061 174.551 174.990 -0.834 0.000 2.397 524 C CA 0.447 59.217 59.018 -0.413 0.000 1.884 524 C CB -1.034 26.629 27.740 -0.128 0.000 1.809 524 C HN 0.717 nan 8.230 nan 0.000 0.155 525 H N -0.017 118.911 119.070 -0.236 0.000 2.651 525 H HA 0.310 4.864 4.556 -0.002 0.000 0.252 525 H C -2.774 172.439 175.328 -0.192 0.000 1.365 525 H CA -1.385 54.506 56.048 -0.263 0.000 1.539 525 H CB -0.060 29.607 29.762 -0.159 0.000 1.621 525 H HN 0.346 nan 8.280 nan 0.000 0.526 526 P HA 0.163 nan 4.420 nan 0.000 0.271 526 P C 0.129 177.405 177.300 -0.040 0.000 1.220 526 P CA 0.176 63.232 63.100 -0.074 0.000 0.768 526 P CB 0.984 32.623 31.700 -0.102 0.000 0.848 527 I N 1.850 122.395 120.570 -0.042 0.000 2.465 527 I HA 0.505 4.673 4.170 -0.003 0.000 0.291 527 I C 0.223 176.263 176.117 -0.128 0.000 1.014 527 I CA -1.269 59.996 61.300 -0.058 0.000 1.093 527 I CB 2.097 40.054 38.000 -0.071 0.000 1.267 527 I HN 0.247 nan 8.210 nan 0.000 0.431 528 A N 7.439 130.198 122.820 -0.102 0.000 2.409 528 A HA 0.529 4.848 4.320 -0.003 0.000 0.267 528 A C -0.216 177.140 177.584 -0.380 0.000 1.127 528 A CA -0.274 51.611 52.037 -0.254 0.000 0.795 528 A CB 0.032 19.005 19.000 -0.044 0.000 1.061 528 A HN 0.689 nan 8.150 nan 0.000 0.502 529 L N 4.306 125.013 121.223 -0.861 0.000 2.319 529 L HA 0.269 4.607 4.340 -0.003 0.000 0.280 529 L C -2.054 174.464 176.870 -0.586 0.000 1.099 529 L CA -1.687 52.701 54.840 -0.754 0.000 0.828 529 L CB 0.738 42.292 42.059 -0.841 0.000 1.150 529 L HN 0.472 nan 8.230 nan 0.000 0.442 530 P HA 0.060 nan 4.420 nan 0.000 0.268 530 P C -0.689 176.676 177.300 0.109 0.000 1.204 530 P CA -0.280 62.765 63.100 -0.091 0.000 0.768 530 P CB 0.413 32.000 31.700 -0.188 0.000 0.842 531 K N 3.277 123.794 120.400 0.195 0.000 2.414 531 K HA 0.084 4.402 4.320 -0.003 0.000 0.272 531 K C 0.423 177.200 176.600 0.295 0.000 0.993 531 K CA 0.320 56.751 56.287 0.239 0.000 0.964 531 K CB 0.147 32.717 32.500 0.118 0.000 0.925 531 K HN 0.711 nan 8.250 nan 0.000 0.487 532 H N 0.593 119.762 119.070 0.164 0.000 3.078 532 H HA 0.326 4.880 4.556 -0.003 0.000 0.319 532 H C -0.738 174.667 175.328 0.129 0.000 0.995 532 H CA -1.053 55.072 56.048 0.127 0.000 1.417 532 H CB 0.214 30.030 29.762 0.090 0.000 1.598 532 H HN 0.290 nan 8.280 nan 0.000 0.515 533 R N 3.543 124.125 120.500 0.138 0.000 2.473 533 R HA 0.097 4.435 4.340 -0.003 0.000 0.315 533 R C -1.565 174.788 176.300 0.089 0.000 0.972 533 R CA -0.509 55.651 56.100 0.100 0.000 1.047 533 R CB -0.155 30.218 30.300 0.122 0.000 0.932 533 R HN 0.493 nan 8.270 nan 0.000 0.411 534 P HA -0.056 nan 4.420 nan 0.000 0.204 534 P C 0.491 177.824 177.300 0.055 0.000 1.215 534 P CA 0.298 63.435 63.100 0.060 0.000 0.908 534 P CB -0.137 31.584 31.700 0.034 0.000 0.738 542 R N 2.043 122.424 120.500 -0.198 0.000 2.816 542 R HA 0.049 4.387 4.340 -0.003 0.000 0.344 542 R C 1.734 177.837 176.300 -0.328 0.000 1.065 542 R CA 0.264 56.235 56.100 -0.216 0.000 0.995 542 R CB 0.277 30.481 30.300 -0.161 0.000 0.984 542 R HN 0.213 nan 8.270 nan 0.000 0.435 543 V N 0.959 120.604 119.914 -0.448 0.000 3.041 543 V HA -0.110 4.009 4.120 -0.003 0.000 0.260 543 V C 0.791 176.772 176.094 -0.188 0.000 1.105 543 V CA 0.429 62.377 62.300 -0.586 0.000 1.125 543 V CB -0.820 30.651 31.823 -0.587 0.000 0.730 543 V HN 0.907 nan 8.190 nan 0.000 0.479 544 R N 0.263 120.679 120.500 -0.140 0.000 2.800 544 R HA -0.222 4.117 4.340 -0.003 0.000 0.246 544 R C 0.701 177.022 176.300 0.035 0.000 0.855 544 R CA 0.656 56.734 56.100 -0.037 0.000 0.631 544 R CB -2.124 28.147 30.300 -0.049 0.000 1.386 544 R HN 0.736 nan 8.270 nan 0.000 0.519 545 A N 1.019 123.837 122.820 -0.005 0.000 2.252 545 A HA -0.032 4.286 4.320 -0.003 0.000 0.207 545 A C 0.723 178.304 177.584 -0.004 0.000 1.194 545 A CA 0.939 52.978 52.037 0.003 0.000 0.809 545 A CB -0.014 18.976 19.000 -0.017 0.000 0.814 545 A HN 0.800 nan 8.150 nan 0.000 0.482 546 E N 0.085 120.291 120.200 0.010 0.000 2.293 546 E HA 0.665 5.014 4.350 -0.003 0.000 0.270 546 E C -0.567 176.026 176.600 -0.012 0.000 0.879 546 E CA -0.812 55.579 56.400 -0.014 0.000 0.756 546 E CB 1.041 30.738 29.700 -0.005 0.000 1.208 546 E HN 0.396 nan 8.360 nan 0.000 0.428 547 M N 1.145 120.689 119.600 -0.094 0.000 2.644 547 M HA 0.613 5.091 4.480 -0.003 0.000 0.273 547 M C -2.723 173.513 176.300 -0.108 0.000 1.253 547 M CA -2.213 53.001 55.300 -0.144 0.000 0.852 547 M CB 1.354 33.623 32.600 -0.553 0.000 1.708 547 M HN 0.171 nan 8.290 nan 0.000 0.471 548 P HA 0.215 nan 4.420 nan 0.000 0.266 548 P C 0.039 177.298 177.300 -0.069 0.000 1.195 548 P CA -0.150 62.923 63.100 -0.044 0.000 0.768 548 P CB 0.463 32.156 31.700 -0.011 0.000 0.838 549 N N 1.777 120.447 118.700 -0.049 0.000 2.037 549 N HA -0.252 4.487 4.740 -0.003 0.000 0.196 549 N C 1.549 177.028 175.510 -0.051 0.000 1.034 549 N CA 1.605 54.625 53.050 -0.050 0.000 0.861 549 N CB -0.292 38.175 38.487 -0.033 0.000 1.039 549 N HN 0.519 nan 8.380 nan 0.000 0.427 550 Q N 0.888 120.666 119.800 -0.037 0.000 2.050 550 Q HA -0.043 4.295 4.340 -0.003 0.000 0.202 550 Q C 2.069 178.045 176.000 -0.040 0.000 0.980 550 Q CA 1.098 56.884 55.803 -0.029 0.000 0.840 550 Q CB -0.605 28.124 28.738 -0.015 0.000 0.898 550 Q HN 0.248 nan 8.270 nan 0.000 0.424 551 L N 0.330 121.523 121.223 -0.051 0.000 1.989 551 L HA -0.191 4.148 4.340 -0.003 0.000 0.211 551 L C 2.530 179.322 176.870 -0.130 0.000 1.071 551 L CA 2.267 57.065 54.840 -0.071 0.000 0.749 551 L CB -0.812 41.193 42.059 -0.089 0.000 0.890 551 L HN 0.267 nan 8.230 nan 0.000 0.431 552 R N -0.153 120.242 120.500 -0.175 0.000 2.097 552 R HA -0.199 4.139 4.340 -0.003 0.000 0.236 552 R C 2.170 178.410 176.300 -0.100 0.000 1.135 552 R CA 1.719 57.713 56.100 -0.177 0.000 0.934 552 R CB -0.365 29.846 30.300 -0.149 0.000 0.846 552 R HN 0.103 nan 8.270 nan 0.000 0.431 553 K N 0.121 120.479 120.400 -0.069 0.000 2.152 553 K HA -0.170 4.149 4.320 -0.003 0.000 0.206 553 K C 2.061 178.643 176.600 -0.030 0.000 1.048 553 K CA 1.474 57.735 56.287 -0.043 0.000 0.933 553 K CB -0.243 32.237 32.500 -0.033 0.000 0.721 553 K HN 0.301 nan 8.250 nan 0.000 0.447 554 Q N 0.502 120.285 119.800 -0.029 0.000 2.389 554 Q HA 0.024 4.363 4.340 -0.003 0.000 0.204 554 Q C 1.734 177.732 176.000 -0.003 0.000 0.944 554 Q CA 0.373 56.170 55.803 -0.010 0.000 0.908 554 Q CB 0.007 28.745 28.738 -0.001 0.000 1.002 554 Q HN 0.206 nan 8.270 nan 0.000 0.493 555 L N 0.083 121.294 121.223 -0.020 0.000 2.095 555 L HA 0.001 4.340 4.340 -0.003 0.000 0.204 555 L C 1.461 178.330 176.870 -0.002 0.000 1.080 555 L CA 1.725 56.561 54.840 -0.007 0.000 0.759 555 L CB -0.193 41.838 42.059 -0.047 0.000 0.914 555 L HN 0.153 nan 8.230 nan 0.000 0.439 556 E N -0.127 120.063 120.200 -0.016 0.000 2.268 556 E HA -0.124 4.225 4.350 -0.003 0.000 0.195 556 E C 2.065 178.666 176.600 0.002 0.000 0.995 556 E CA 0.807 57.203 56.400 -0.006 0.000 0.836 556 E CB -0.218 29.473 29.700 -0.016 0.000 0.763 556 E HN 0.655 nan 8.360 nan 0.000 0.491 557 A N 1.224 124.044 122.820 0.001 0.000 1.930 557 A HA -0.078 4.241 4.320 -0.003 0.000 0.215 557 A C 2.144 179.735 177.584 0.013 0.000 1.176 557 A CA 0.638 52.678 52.037 0.004 0.000 0.632 557 A CB -0.332 18.670 19.000 0.002 0.000 0.819 557 A HN 0.100 nan 8.150 nan 0.000 0.445 558 I N -0.235 120.346 120.570 0.019 0.000 2.202 558 I HA -0.247 3.921 4.170 -0.003 0.000 0.242 558 I C 2.266 178.403 176.117 0.035 0.000 1.091 558 I CA 1.336 62.653 61.300 0.028 0.000 1.368 558 I CB -0.323 37.699 38.000 0.037 0.000 1.058 558 I HN 0.286 nan 8.210 nan 0.000 0.410 559 I N 0.921 121.513 120.570 0.036 0.000 2.226 559 I HA -0.259 3.910 4.170 -0.003 0.000 0.245 559 I C 2.624 178.765 176.117 0.041 0.000 1.100 559 I CA 1.284 62.613 61.300 0.047 0.000 1.374 559 I CB -0.456 37.574 38.000 0.049 0.000 1.057 559 I HN 0.164 nan 8.210 nan 0.000 0.413 560 A N 0.119 122.955 122.820 0.025 0.000 2.216 560 A HA -0.035 4.283 4.320 -0.003 0.000 0.214 560 A C 1.232 178.824 177.584 0.014 0.000 1.160 560 A CA 0.778 52.825 52.037 0.016 0.000 0.725 560 A CB -0.939 18.065 19.000 0.006 0.000 0.784 560 A HN 0.370 nan 8.150 nan 0.000 0.472 561 T N 2.011 116.577 114.554 0.020 0.000 2.898 561 T HA 0.295 4.643 4.350 -0.003 0.000 0.301 561 T C 0.229 174.942 174.700 0.021 0.000 1.049 561 T CA -0.147 61.963 62.100 0.017 0.000 1.095 561 T CB 0.652 69.532 68.868 0.020 0.000 0.976 561 T HN 0.589 nan 8.240 nan 0.000 0.539 562 D N 1.609 122.016 120.400 0.013 0.000 2.361 562 D HA 0.053 4.691 4.640 -0.003 0.000 0.239 562 D C -1.985 174.331 176.300 0.027 0.000 1.200 562 D CA -1.556 52.453 54.000 0.014 0.000 0.915 562 D CB 0.481 41.281 40.800 0.000 0.000 1.170 562 D HN 0.102 nan 8.370 nan 0.000 0.444 563 P HA -0.106 nan 4.420 nan 0.000 0.214 563 P C 1.660 178.979 177.300 0.031 0.000 1.163 563 P CA 1.056 64.183 63.100 0.045 0.000 0.883 563 P CB 0.064 31.793 31.700 0.048 0.000 0.788 564 L N -1.852 119.384 121.223 0.021 0.000 2.450 564 L HA -0.108 4.230 4.340 -0.003 0.000 0.224 564 L C 0.980 177.854 176.870 0.007 0.000 1.149 564 L CA 0.374 55.221 54.840 0.012 0.000 0.816 564 L CB -1.240 40.828 42.059 0.015 0.000 0.932 564 L HN 0.043 nan 8.230 nan 0.000 0.449 565 N N 1.348 120.054 118.700 0.011 0.000 2.442 565 N HA 0.130 4.869 4.740 -0.003 0.000 0.265 565 N C -2.147 173.370 175.510 0.012 0.000 1.138 565 N CA -1.290 51.765 53.050 0.010 0.000 0.956 565 N CB 0.733 39.228 38.487 0.012 0.000 1.067 565 N HN -0.075 nan 8.380 nan 0.000 0.474 566 P HA 0.131 nan 4.420 nan 0.000 0.274 566 P C -0.859 176.448 177.300 0.012 0.000 1.231 566 P CA -0.154 62.949 63.100 0.004 0.000 0.790 566 P CB 1.034 32.732 31.700 -0.004 0.000 0.951 567 L N 1.637 122.868 121.223 0.015 0.000 2.322 567 L HA 0.389 4.728 4.340 -0.003 0.000 0.279 567 L C 1.432 178.310 176.870 0.014 0.000 1.036 567 L CA -0.634 54.218 54.840 0.021 0.000 0.807 567 L CB 1.492 43.571 42.059 0.032 0.000 1.226 567 L HN 0.463 nan 8.230 nan 0.000 0.433 568 T N -1.005 113.559 114.554 0.016 0.000 2.847 568 T HA 0.407 4.755 4.350 -0.003 0.000 0.279 568 T C 1.196 175.902 174.700 0.010 0.000 0.984 568 T CA -0.085 62.021 62.100 0.011 0.000 0.988 568 T CB 1.630 70.505 68.868 0.011 0.000 1.040 568 T HN 0.627 nan 8.240 nan 0.000 0.528 569 A N 0.015 122.837 122.820 0.004 0.000 1.908 569 A HA -0.112 4.207 4.320 -0.003 0.000 0.218 569 A C 2.280 179.867 177.584 0.006 0.000 1.181 569 A CA 2.014 54.050 52.037 -0.002 0.000 0.627 569 A CB -1.186 17.810 19.000 -0.008 0.000 0.818 569 A HN 1.031 nan 8.150 nan 0.000 0.445 570 E N -0.527 119.679 120.200 0.011 0.000 2.106 570 E HA -0.207 4.141 4.350 -0.003 0.000 0.192 570 E C 1.217 177.839 176.600 0.036 0.000 0.984 570 E CA 1.119 57.530 56.400 0.019 0.000 0.806 570 E CB -0.093 29.617 29.700 0.016 0.000 0.750 570 E HN 0.526 nan 8.360 nan 0.000 0.458 571 D N 0.653 121.074 120.400 0.035 0.000 2.117 571 D HA -0.139 4.499 4.640 -0.003 0.000 0.197 571 D C 1.757 178.093 176.300 0.061 0.000 0.987 571 D CA 1.096 55.124 54.000 0.047 0.000 0.829 571 D CB -0.017 40.805 40.800 0.037 0.000 0.961 571 D HN 0.180 nan 8.370 nan 0.000 0.460 572 K N 0.550 120.979 120.400 0.048 0.000 2.097 572 K HA -0.069 4.250 4.320 -0.003 0.000 0.205 572 K C 2.050 178.704 176.600 0.089 0.000 1.050 572 K CA 0.687 57.007 56.287 0.054 0.000 0.938 572 K CB 0.017 32.527 32.500 0.017 0.000 0.718 572 K HN 0.234 nan 8.250 nan 0.000 0.442 573 E N 0.851 121.094 120.200 0.071 0.000 2.077 573 E HA -0.191 4.157 4.350 -0.003 0.000 0.193 573 E C 1.988 178.667 176.600 0.131 0.000 0.989 573 E CA 0.776 57.231 56.400 0.091 0.000 0.800 573 E CB -0.036 29.683 29.700 0.031 0.000 0.746 573 E HN 0.084 nan 8.360 nan 0.000 0.452 574 L N 0.601 121.906 121.223 0.136 0.000 2.027 574 L HA -0.161 4.178 4.340 -0.003 0.000 0.206 574 L C 2.130 179.157 176.870 0.262 0.000 1.074 574 L CA 1.244 56.222 54.840 0.230 0.000 0.745 574 L CB -0.304 41.884 42.059 0.214 0.000 0.898 574 L HN 0.089 nan 8.230 nan 0.000 0.433 575 L N -1.306 120.021 121.223 0.174 0.000 2.017 575 L HA -0.272 4.067 4.340 -0.003 0.000 0.208 575 L C 2.269 179.194 176.870 0.092 0.000 1.073 575 L CA 1.996 56.910 54.840 0.123 0.000 0.745 575 L CB -1.042 41.066 42.059 0.083 0.000 0.894 575 L HN 0.528 nan 8.230 nan 0.000 0.432 576 W N -0.703 120.558 121.300 -0.065 0.000 2.379 576 W HA -0.271 4.388 4.660 -0.003 0.000 0.307 576 W C 2.680 179.128 176.519 -0.119 0.000 1.200 576 W CA 1.685 58.955 57.345 -0.125 0.000 1.297 576 W CB -0.318 29.066 29.460 -0.127 0.000 1.140 576 W HN 0.368 nan 8.180 nan 0.000 0.507 577 H N -0.413 118.507 119.070 -0.250 0.000 2.352 577 H HA -0.190 4.365 4.556 -0.002 0.000 0.299 577 H C 0.695 175.616 175.328 -0.679 0.000 1.097 577 H CA 2.177 57.905 56.048 -0.533 0.000 1.311 577 H CB -0.937 28.461 29.762 -0.606 0.000 1.377 577 H HN 0.020 nan 8.280 nan 0.000 0.504 578 F N 0.405 120.249 119.950 -0.176 0.000 2.987 578 F HA 0.272 4.797 4.527 -0.003 0.000 0.302 578 F C 1.574 177.233 175.800 -0.235 0.000 1.221 578 F CA -0.456 57.425 58.000 -0.199 0.000 1.307 578 F CB 0.161 39.114 39.000 -0.078 0.000 1.108 578 F HN -0.029 nan 8.300 nan 0.000 0.521 579 R N -0.307 120.003 120.500 -0.317 0.000 2.122 579 R HA -0.248 4.090 4.340 -0.003 0.000 0.236 579 R C 1.454 177.531 176.300 -0.372 0.000 1.129 579 R CA 2.335 58.147 56.100 -0.480 0.000 0.925 579 R CB -0.704 29.080 30.300 -0.859 0.000 0.850 579 R HN 0.354 nan 8.270 nan 0.000 0.431 580 Y N 0.378 120.544 120.300 -0.224 0.000 2.241 580 Y HA -0.236 4.313 4.550 -0.003 0.000 0.286 580 Y C 2.439 178.298 175.900 -0.067 0.000 1.166 580 Y CA 1.365 59.386 58.100 -0.132 0.000 1.203 580 Y CB -0.187 38.205 38.460 -0.113 0.000 0.977 580 Y HN 0.136 nan 8.280 nan 0.000 0.529 581 E N -0.308 119.947 120.200 0.092 0.000 2.072 581 E HA -0.107 4.242 4.350 -0.003 0.000 0.190 581 E C 2.334 178.946 176.600 0.020 0.000 0.982 581 E CA 1.338 57.773 56.400 0.058 0.000 0.803 581 E CB -0.242 29.486 29.700 0.048 0.000 0.755 581 E HN 0.223 nan 8.360 nan 0.000 0.453 582 S N 0.288 115.977 115.700 -0.018 0.000 2.402 582 S HA -0.119 4.350 4.470 -0.003 0.000 0.229 582 S C 1.770 176.347 174.600 -0.039 0.000 1.021 582 S CA 0.713 58.889 58.200 -0.039 0.000 0.974 582 S CB -0.265 62.876 63.200 -0.099 0.000 0.800 582 S HN 0.227 nan 8.310 nan 0.000 0.484 583 L N 1.787 122.942 121.223 -0.113 0.000 2.265 583 L HA -0.023 4.316 4.340 -0.003 0.000 0.215 583 L C 1.691 178.688 176.870 0.212 0.000 1.117 583 L CA 1.545 56.345 54.840 -0.067 0.000 0.782 583 L CB -0.312 41.657 42.059 -0.150 0.000 0.914 583 L HN 0.115 nan 8.230 nan 0.000 0.441 584 K N -0.965 119.521 120.400 0.144 0.000 2.504 584 K HA -0.041 4.277 4.320 -0.003 0.000 0.195 584 K C 0.007 176.707 176.600 0.165 0.000 1.036 584 K CA 0.369 56.746 56.287 0.149 0.000 0.984 584 K CB -0.019 32.534 32.500 0.088 0.000 0.788 584 K HN 0.211 nan 8.250 nan 0.000 0.488 585 D N -0.116 120.414 120.400 0.217 0.000 2.462 585 D HA 0.158 4.796 4.640 -0.003 0.000 0.245 585 D C -2.213 174.279 176.300 0.321 0.000 1.122 585 D CA -2.601 51.515 54.000 0.193 0.000 0.864 585 D CB 1.791 42.666 40.800 0.125 0.000 1.098 585 D HN -0.266 nan 8.370 nan 0.000 0.541 586 P HA -0.171 nan 4.420 nan 0.000 0.216 586 P C 0.833 178.265 177.300 0.219 0.000 1.154 586 P CA 1.429 64.546 63.100 0.028 0.000 0.865 586 P CB 0.307 31.919 31.700 -0.145 0.000 0.789 587 K N -1.021 119.474 120.400 0.159 0.000 2.442 587 K HA -0.015 4.303 4.320 -0.003 0.000 0.198 587 K C 1.763 178.490 176.600 0.211 0.000 1.044 587 K CA 1.046 57.425 56.287 0.153 0.000 0.948 587 K CB -0.313 32.234 32.500 0.078 0.000 0.762 587 K HN 0.119 nan 8.250 nan 0.000 0.472 588 A N -0.259 122.735 122.820 0.291 0.000 2.238 588 A HA 0.020 4.338 4.320 -0.003 0.000 0.210 588 A C 1.172 178.917 177.584 0.268 0.000 1.179 588 A CA 0.099 52.272 52.037 0.228 0.000 0.827 588 A CB -0.193 18.895 19.000 0.148 0.000 0.856 588 A HN 0.153 nan 8.150 nan 0.000 0.488 589 Y N 0.800 121.181 120.300 0.135 0.000 2.114 589 Y HA -0.134 4.414 4.550 -0.003 0.000 0.282 589 Y C -0.280 175.776 175.900 0.259 0.000 1.165 589 Y CA 2.125 60.336 58.100 0.185 0.000 1.148 589 Y CB -1.811 36.735 38.460 0.142 0.000 0.972 589 Y HN 0.286 nan 8.280 nan 0.000 0.504 590 P HA -0.167 nan 4.420 nan 0.000 0.214 590 P C 1.625 179.192 177.300 0.445 0.000 1.163 590 P CA 1.908 65.239 63.100 0.385 0.000 0.883 590 P CB 0.063 31.945 31.700 0.302 0.000 0.788 591 K N -0.674 119.884 120.400 0.263 0.000 2.032 591 K HA -0.139 4.179 4.320 -0.003 0.000 0.209 591 K C 2.041 178.726 176.600 0.141 0.000 1.048 591 K CA 1.083 57.479 56.287 0.182 0.000 0.927 591 K CB -1.509 31.060 32.500 0.116 0.000 0.712 591 K HN 0.114 nan 8.250 nan 0.000 0.441 592 L N 0.580 121.826 121.223 0.038 0.000 1.989 592 L HA -0.123 4.216 4.340 -0.003 0.000 0.211 592 L C 2.060 178.840 176.870 -0.149 0.000 1.071 592 L CA 1.710 56.449 54.840 -0.168 0.000 0.749 592 L CB -0.756 40.995 42.059 -0.513 0.000 0.890 592 L HN 0.040 nan 8.230 nan 0.000 0.431 593 F N -0.506 119.576 119.950 0.221 0.000 2.699 593 F HA -0.046 4.480 4.527 -0.002 0.000 0.298 593 F C 2.366 178.534 175.800 0.615 0.000 1.154 593 F CA 0.756 59.009 58.000 0.423 0.000 1.457 593 F CB -0.607 38.658 39.000 0.442 0.000 1.106 593 F HN 0.335 nan 8.300 nan 0.000 0.585 594 S N -2.435 113.586 115.700 0.536 0.000 2.556 594 S HA 0.066 4.535 4.470 -0.003 0.000 0.216 594 S C 1.209 175.911 174.600 0.170 0.000 0.970 594 S CA 0.157 58.552 58.200 0.325 0.000 0.912 594 S CB -0.157 63.145 63.200 0.171 0.000 0.790 594 S HN 0.083 nan 8.310 nan 0.000 0.504 595 S N 0.920 116.686 115.700 0.110 0.000 2.578 595 S HA 0.337 4.806 4.470 -0.003 0.000 0.231 595 S C 0.106 174.589 174.600 -0.196 0.000 0.994 595 S CA -0.381 57.818 58.200 -0.002 0.000 0.956 595 S CB 0.551 63.783 63.200 0.052 0.000 0.870 595 S HN 0.367 nan 8.310 nan 0.000 0.494 596 V N 3.083 122.815 119.914 -0.303 0.000 2.461 596 V HA 0.204 4.322 4.120 -0.003 0.000 0.275 596 V C 0.317 175.902 176.094 -0.848 0.000 1.047 596 V CA -0.444 61.351 62.300 -0.843 0.000 0.955 596 V CB 1.033 32.129 31.823 -1.211 0.000 0.988 596 V HN 0.218 nan 8.190 nan 0.000 0.471 597 K N 4.902 124.809 120.400 -0.822 0.000 2.127 597 K HA 0.082 4.400 4.320 -0.003 0.000 0.261 597 K C 0.161 176.481 176.600 -0.468 0.000 1.129 597 K CA 0.105 56.095 56.287 -0.495 0.000 0.993 597 K CB 0.211 32.453 32.500 -0.430 0.000 1.410 597 K HN 0.706 nan 8.250 nan 0.000 0.380 598 W N 0.942 122.139 121.300 -0.172 0.000 2.611 598 W HA -0.039 4.620 4.660 -0.002 0.000 0.251 598 W C 1.807 178.140 176.519 -0.311 0.000 1.265 598 W CA 0.110 57.322 57.345 -0.221 0.000 1.295 598 W CB 0.199 29.527 29.460 -0.219 0.000 1.129 598 W HN 0.621 nan 8.180 nan 0.000 0.630 599 G N -0.185 108.568 108.800 -0.078 0.000 3.262 599 G HA2 0.055 4.013 3.960 -0.003 0.000 0.228 599 G HA3 0.055 4.013 3.960 -0.003 0.000 0.228 599 G C 0.175 175.004 174.900 -0.119 0.000 1.197 599 G CA -0.224 44.812 45.100 -0.107 0.000 0.819 599 G HN 0.163 nan 8.290 nan 0.000 0.531 600 Q N -0.282 119.423 119.800 -0.158 0.000 2.303 600 Q HA 0.200 4.538 4.340 -0.003 0.000 0.267 600 Q C 0.910 176.797 176.000 -0.189 0.000 1.011 600 Q CA -0.609 55.092 55.803 -0.170 0.000 0.740 600 Q CB 1.967 30.586 28.738 -0.199 0.000 1.250 600 Q HN 0.229 nan 8.270 nan 0.000 0.458 601 Q N 2.363 122.047 119.800 -0.192 0.000 2.047 601 Q HA -0.315 4.023 4.340 -0.003 0.000 0.211 601 Q C 0.678 176.495 176.000 -0.306 0.000 1.005 601 Q CA 2.846 58.479 55.803 -0.284 0.000 0.866 601 Q CB 0.157 28.645 28.738 -0.418 0.000 0.938 601 Q HN 0.645 nan 8.270 nan 0.000 0.414 602 E N 0.559 120.602 120.200 -0.262 0.000 2.070 602 E HA -0.159 4.189 4.350 -0.003 0.000 0.197 602 E C 2.100 178.616 176.600 -0.141 0.000 1.004 602 E CA 1.811 58.090 56.400 -0.203 0.000 0.805 602 E CB -0.465 29.148 29.700 -0.145 0.000 0.744 602 E HN 0.562 nan 8.360 nan 0.000 0.451 603 I N 0.229 120.696 120.570 -0.171 0.000 2.226 603 I HA -0.240 3.928 4.170 -0.003 0.000 0.245 603 I C 2.117 178.130 176.117 -0.174 0.000 1.100 603 I CA 0.771 61.951 61.300 -0.200 0.000 1.374 603 I CB -0.310 37.406 38.000 -0.473 0.000 1.057 603 I HN 0.010 nan 8.210 nan 0.000 0.413 604 V N 1.282 121.075 119.914 -0.201 0.000 2.287 604 V HA -0.326 3.793 4.120 -0.003 0.000 0.248 604 V C 2.797 178.877 176.094 -0.023 0.000 1.053 604 V CA 2.070 64.312 62.300 -0.097 0.000 1.027 604 V CB -1.119 30.687 31.823 -0.028 0.000 0.646 604 V HN 0.507 nan 8.190 nan 0.000 0.447 605 A N -0.310 122.439 122.820 -0.119 0.000 1.917 605 A HA -0.289 4.030 4.320 -0.003 0.000 0.219 605 A C 2.294 179.905 177.584 0.044 0.000 1.182 605 A CA 2.234 54.207 52.037 -0.107 0.000 0.633 605 A CB -0.490 18.390 19.000 -0.201 0.000 0.819 605 A HN 0.571 nan 8.150 nan 0.000 0.448 606 K N -1.064 119.384 120.400 0.080 0.000 2.148 606 K HA -0.077 4.241 4.320 -0.003 0.000 0.204 606 K C 2.032 178.759 176.600 0.212 0.000 1.050 606 K CA 1.594 57.971 56.287 0.150 0.000 0.942 606 K CB -0.315 32.326 32.500 0.235 0.000 0.724 606 K HN 0.495 nan 8.250 nan 0.000 0.446 607 T N 0.358 115.093 114.554 0.302 0.000 2.788 607 T HA -0.138 4.210 4.350 -0.003 0.000 0.268 607 T C 1.570 176.501 174.700 0.385 0.000 1.044 607 T CA 1.205 63.514 62.100 0.349 0.000 1.139 607 T CB -0.289 68.755 68.868 0.294 0.000 0.867 607 T HN 0.294 nan 8.240 nan 0.000 0.454 608 Y N 1.345 121.731 120.300 0.144 0.000 2.314 608 Y HA -0.094 4.454 4.550 -0.003 0.000 0.293 608 Y C 2.892 178.847 175.900 0.091 0.000 1.129 608 Y CA 0.438 58.616 58.100 0.130 0.000 1.201 608 Y CB -0.120 38.422 38.460 0.137 0.000 0.999 608 Y HN 0.252 nan 8.280 nan 0.000 0.541 609 Q N 0.189 120.129 119.800 0.234 0.000 2.084 609 Q HA -0.215 4.124 4.340 -0.003 0.000 0.202 609 Q C 2.314 178.385 176.000 0.118 0.000 0.978 609 Q CA 1.411 57.305 55.803 0.152 0.000 0.844 609 Q CB -0.184 28.627 28.738 0.122 0.000 0.898 609 Q HN 0.528 nan 8.270 nan 0.000 0.426 610 L N 0.421 121.670 121.223 0.044 0.000 1.994 610 L HA -0.213 4.125 4.340 -0.003 0.000 0.208 610 L C 2.097 178.946 176.870 -0.036 0.000 1.071 610 L CA 1.234 55.990 54.840 -0.140 0.000 0.745 610 L CB -0.139 41.736 42.059 -0.307 0.000 0.892 610 L HN 0.307 nan 8.230 nan 0.000 0.431 611 L N -0.658 120.588 121.223 0.040 0.000 2.275 611 L HA -0.157 4.182 4.340 -0.003 0.000 0.215 611 L C 2.730 179.624 176.870 0.040 0.000 1.119 611 L CA 0.698 55.555 54.840 0.029 0.000 0.790 611 L CB -0.603 41.424 42.059 -0.054 0.000 0.919 611 L HN 0.313 nan 8.230 nan 0.000 0.443 612 A N 0.153 123.015 122.820 0.069 0.000 1.873 612 A HA -0.205 4.113 4.320 -0.003 0.000 0.218 612 A C 1.362 179.002 177.584 0.093 0.000 1.193 612 A CA 1.387 53.475 52.037 0.085 0.000 0.629 612 A CB -0.336 18.728 19.000 0.106 0.000 0.826 612 A HN 0.302 nan 8.150 nan 0.000 0.447 613 K N 0.480 120.947 120.400 0.111 0.000 2.150 613 K HA 0.272 4.591 4.320 -0.003 0.000 0.261 613 K C -0.176 176.508 176.600 0.140 0.000 1.127 613 K CA -0.068 56.295 56.287 0.126 0.000 0.989 613 K CB 0.448 33.041 32.500 0.156 0.000 1.475 613 K HN 0.272 nan 8.250 nan 0.000 0.391 614 R N 1.793 122.381 120.500 0.147 0.000 2.696 614 R HA 0.048 4.386 4.340 -0.003 0.000 0.355 614 R C 0.431 176.859 176.300 0.215 0.000 1.138 614 R CA -0.047 56.180 56.100 0.212 0.000 1.059 614 R CB 0.317 30.742 30.300 0.208 0.000 1.380 614 R HN 0.557 nan 8.270 nan 0.000 0.578 615 E N 0.221 120.515 120.200 0.157 0.000 2.118 615 E HA -0.171 4.177 4.350 -0.003 0.000 0.195 615 E C 1.647 178.318 176.600 0.118 0.000 0.992 615 E CA 1.331 57.802 56.400 0.118 0.000 0.804 615 E CB 0.186 29.940 29.700 0.089 0.000 0.741 615 E HN 0.102 nan 8.360 nan 0.000 0.458 616 V N 1.089 121.097 119.914 0.157 0.000 2.358 616 V HA -0.219 3.900 4.120 -0.003 0.000 0.246 616 V C 1.957 178.127 176.094 0.127 0.000 1.047 616 V CA 1.544 63.927 62.300 0.139 0.000 1.035 616 V CB -0.576 31.358 31.823 0.186 0.000 0.658 616 V HN 0.533 nan 8.190 nan 0.000 0.452 617 W N 1.126 122.432 121.300 0.010 0.000 2.418 617 W HA -0.111 4.547 4.660 -0.003 0.000 0.292 617 W C 1.942 178.416 176.519 -0.075 0.000 1.213 617 W CA 1.489 58.773 57.345 -0.100 0.000 1.283 617 W CB -0.158 29.250 29.460 -0.087 0.000 1.119 617 W HN 0.363 nan 8.180 nan 0.000 0.542 618 D N 0.219 120.692 120.400 0.122 0.000 2.178 618 D HA -0.196 4.443 4.640 -0.003 0.000 0.201 618 D C 1.957 178.205 176.300 -0.088 0.000 0.980 618 D CA 1.479 55.492 54.000 0.022 0.000 0.842 618 D CB -0.402 40.448 40.800 0.083 0.000 0.948 618 D HN 0.430 nan 8.370 nan 0.000 0.472 619 Q N 0.556 120.311 119.800 -0.075 0.000 2.402 619 Q HA 0.034 4.373 4.340 -0.003 0.000 0.206 619 Q C 0.765 176.674 176.000 -0.150 0.000 0.919 619 Q CA -0.111 55.640 55.803 -0.088 0.000 0.923 619 Q CB 0.392 29.106 28.738 -0.040 0.000 1.048 619 Q HN 0.153 nan 8.270 nan 0.000 0.515 620 S N 0.651 116.211 115.700 -0.234 0.000 2.566 620 S HA 0.279 4.747 4.470 -0.003 0.000 0.280 620 S C 0.259 174.671 174.600 -0.312 0.000 1.343 620 S CA -0.393 57.629 58.200 -0.298 0.000 1.036 620 S CB 0.871 63.787 63.200 -0.473 0.000 0.866 620 S HN 0.252 nan 8.310 nan 0.000 0.526 621 A N 1.709 124.378 122.820 -0.253 0.000 2.371 621 A HA 0.483 4.802 4.320 -0.003 0.000 0.257 621 A C 0.103 177.524 177.584 -0.272 0.000 1.089 621 A CA -0.725 51.185 52.037 -0.212 0.000 0.794 621 A CB -0.060 18.852 19.000 -0.148 0.000 1.029 621 A HN 1.095 nan 8.150 nan 0.000 0.488 622 L N 1.890 122.979 121.223 -0.223 0.000 2.500 622 L HA 0.202 4.541 4.340 -0.003 0.000 0.272 622 L C -0.299 176.457 176.870 -0.191 0.000 1.149 622 L CA 0.523 55.226 54.840 -0.229 0.000 0.897 622 L CB 0.181 42.147 42.059 -0.156 0.000 1.178 622 L HN 0.630 nan 8.230 nan 0.000 0.473 623 D N 4.278 124.545 120.400 -0.221 0.000 2.438 623 D HA 0.128 4.767 4.640 -0.003 0.000 0.257 623 D C 1.029 177.239 176.300 -0.150 0.000 1.148 623 D CA -0.348 53.558 54.000 -0.157 0.000 0.902 623 D CB 1.246 41.953 40.800 -0.154 0.000 1.062 623 D HN 0.403 nan 8.370 nan 0.000 0.518 624 V N 3.695 123.505 119.914 -0.173 0.000 2.278 624 V HA -0.222 3.897 4.120 -0.003 0.000 0.251 624 V C 2.554 178.539 176.094 -0.181 0.000 1.062 624 V CA 2.399 64.543 62.300 -0.258 0.000 1.038 624 V CB -0.766 30.754 31.823 -0.504 0.000 0.646 624 V HN 0.655 nan 8.190 nan 0.000 0.447 625 G N -0.686 108.050 108.800 -0.107 0.000 2.446 625 G HA2 -0.271 3.688 3.960 -0.003 0.000 0.217 625 G HA3 -0.271 3.688 3.960 -0.003 0.000 0.217 625 G C 1.657 176.547 174.900 -0.016 0.000 1.168 625 G CA 1.150 46.226 45.100 -0.040 0.000 0.771 625 G HN 0.457 nan 8.290 nan 0.000 0.551 626 L N 0.413 121.628 121.223 -0.013 0.000 2.046 626 L HA -0.105 4.234 4.340 -0.003 0.000 0.208 626 L C 3.091 179.997 176.870 0.060 0.000 1.077 626 L CA 1.978 56.840 54.840 0.037 0.000 0.747 626 L CB -0.474 41.602 42.059 0.028 0.000 0.896 626 L HN 0.252 nan 8.230 nan 0.000 0.432 627 T N -0.176 114.388 114.554 0.017 0.000 2.746 627 T HA -0.191 4.158 4.350 -0.003 0.000 0.267 627 T C 1.943 176.633 174.700 -0.016 0.000 1.039 627 T CA 1.376 63.493 62.100 0.028 0.000 1.142 627 T CB -0.108 68.734 68.868 -0.043 0.000 0.866 627 T HN 0.197 nan 8.240 nan 0.000 0.444 628 M N 1.442 121.022 119.600 -0.033 0.000 2.159 628 M HA -0.070 4.408 4.480 -0.003 0.000 0.263 628 M C 2.278 178.580 176.300 0.003 0.000 1.063 628 M CA 1.363 56.654 55.300 -0.016 0.000 1.110 628 M CB -1.285 31.309 32.600 -0.010 0.000 1.374 628 M HN 0.367 nan 8.290 nan 0.000 0.411 629 Q N 0.028 119.840 119.800 0.020 0.000 2.181 629 Q HA -0.106 4.232 4.340 -0.003 0.000 0.205 629 Q C 1.865 177.918 176.000 0.088 0.000 0.980 629 Q CA 0.988 56.831 55.803 0.067 0.000 0.862 629 Q CB -0.228 28.570 28.738 0.100 0.000 0.905 629 Q HN 0.518 nan 8.270 nan 0.000 0.429 630 L N -0.058 121.115 121.223 -0.083 0.000 2.591 630 L HA 0.027 4.366 4.340 -0.003 0.000 0.228 630 L C 1.269 178.056 176.870 -0.137 0.000 1.133 630 L CA 0.185 54.810 54.840 -0.359 0.000 0.880 630 L CB 0.177 41.946 42.059 -0.483 0.000 1.033 630 L HN 0.191 nan 8.230 nan 0.000 0.450 631 L N -0.409 120.798 121.223 -0.026 0.000 2.857 631 L HA 0.142 4.481 4.340 -0.003 0.000 0.249 631 L C 0.552 177.419 176.870 -0.005 0.000 1.172 631 L CA -0.395 54.450 54.840 0.008 0.000 0.980 631 L CB -0.044 42.028 42.059 0.022 0.000 1.299 631 L HN 0.240 nan 8.230 nan 0.000 0.535 632 D N -0.766 119.559 120.400 -0.126 0.000 2.507 632 D HA -0.023 4.616 4.640 -0.003 0.000 0.280 632 D C 1.477 177.334 176.300 -0.739 0.000 1.219 632 D CA -0.247 53.364 54.000 -0.648 0.000 1.085 632 D CB 0.459 40.955 40.800 -0.508 0.000 1.134 632 D HN 0.118 nan 8.370 nan 0.000 0.583 633 C N -1.354 117.303 119.300 -1.071 0.000 2.449 633 C HA 0.077 4.535 4.460 -0.003 0.000 0.283 633 C C 1.659 176.415 174.990 -0.389 0.000 1.453 633 C CA 0.160 58.850 59.018 -0.545 0.000 1.779 633 C CB -1.971 25.538 27.740 -0.385 0.000 1.779 633 C HN 0.504 nan 8.230 nan 0.000 0.546 634 N N -0.481 117.943 118.700 -0.460 0.000 2.463 634 N HA 0.182 4.920 4.740 -0.003 0.000 0.181 634 N C -0.458 174.473 175.510 -0.965 0.000 1.078 634 N CA 0.595 53.243 53.050 -0.671 0.000 0.902 634 N CB -0.013 38.002 38.487 -0.787 0.000 0.970 634 N HN 0.558 nan 8.380 nan 0.000 0.451 635 F N -0.789 118.994 119.950 -0.278 0.000 2.477 635 F HA 0.390 4.915 4.527 -0.003 0.000 0.335 635 F C 0.638 176.166 175.800 -0.453 0.000 1.130 635 F CA -0.798 56.987 58.000 -0.358 0.000 0.948 635 F CB 2.063 40.910 39.000 -0.254 0.000 1.154 635 F HN -0.184 nan 8.300 nan 0.000 0.439 636 S N 0.069 115.412 115.700 -0.595 0.000 2.526 636 S HA -0.014 4.454 4.470 -0.003 0.000 0.220 636 S C -0.098 174.227 174.600 -0.458 0.000 1.017 636 S CA -0.345 57.462 58.200 -0.655 0.000 0.930 636 S CB -0.142 62.337 63.200 -1.201 0.000 0.856 636 S HN 0.724 nan 8.310 nan 0.000 0.497 637 D N 2.209 122.346 120.400 -0.438 0.000 2.383 637 D HA 0.073 4.712 4.640 -0.003 0.000 0.252 637 D C 1.134 177.390 176.300 -0.074 0.000 1.166 637 D CA 0.020 53.927 54.000 -0.156 0.000 0.879 637 D CB 0.707 41.320 40.800 -0.311 0.000 1.164 637 D HN 0.190 nan 8.370 nan 0.000 0.462 638 E N 3.234 123.459 120.200 0.043 0.000 2.085 638 E HA -0.343 4.005 4.350 -0.003 0.000 0.194 638 E C 1.308 177.880 176.600 -0.046 0.000 0.994 638 E CA 1.090 57.506 56.400 0.026 0.000 0.801 638 E CB 0.053 29.803 29.700 0.084 0.000 0.743 638 E HN 0.535 nan 8.360 nan 0.000 0.453 639 N N -0.018 118.632 118.700 -0.083 0.000 2.120 639 N HA -0.140 4.598 4.740 -0.003 0.000 0.188 639 N C 1.759 177.079 175.510 -0.316 0.000 1.024 639 N CA 1.537 54.436 53.050 -0.251 0.000 0.852 639 N CB -0.187 37.930 38.487 -0.615 0.000 1.003 639 N HN 0.076 nan 8.380 nan 0.000 0.424 640 V N 1.028 120.733 119.914 -0.348 0.000 2.343 640 V HA -0.161 3.957 4.120 -0.003 0.000 0.247 640 V C 2.390 178.227 176.094 -0.429 0.000 1.051 640 V CA 1.622 63.597 62.300 -0.541 0.000 1.036 640 V CB -0.436 31.040 31.823 -0.578 0.000 0.654 640 V HN 0.332 nan 8.190 nan 0.000 0.451 641 R N 0.236 120.572 120.500 -0.272 0.000 2.081 641 R HA -0.092 4.247 4.340 -0.003 0.000 0.235 641 R C 2.453 178.663 176.300 -0.150 0.000 1.131 641 R CA 1.405 57.393 56.100 -0.187 0.000 0.960 641 R CB -0.648 29.593 30.300 -0.100 0.000 0.856 641 R HN 0.521 nan 8.270 nan 0.000 0.436 642 A N 2.034 124.776 122.820 -0.129 0.000 1.940 642 A HA -0.164 4.154 4.320 -0.003 0.000 0.219 642 A C 2.223 179.753 177.584 -0.090 0.000 1.176 642 A CA 1.616 53.602 52.037 -0.085 0.000 0.631 642 A CB -0.708 18.255 19.000 -0.061 0.000 0.814 642 A HN 0.497 nan 8.150 nan 0.000 0.446 643 I N -3.241 117.232 120.570 -0.162 0.000 2.546 643 I HA 0.040 4.208 4.170 -0.003 0.000 0.255 643 I C 2.300 178.446 176.117 0.048 0.000 1.163 643 I CA 1.162 62.397 61.300 -0.108 0.000 1.457 643 I CB -0.424 37.339 38.000 -0.396 0.000 1.092 643 I HN 0.161 nan 8.210 nan 0.000 0.434 644 A N 1.700 124.481 122.820 -0.064 0.000 1.873 644 A HA -0.044 4.274 4.320 -0.003 0.000 0.215 644 A C 2.397 179.962 177.584 -0.033 0.000 1.186 644 A CA 1.852 53.909 52.037 0.032 0.000 0.616 644 A CB -1.072 17.882 19.000 -0.077 0.000 0.823 644 A HN 0.302 nan 8.150 nan 0.000 0.442 645 V N 0.538 120.389 119.914 -0.105 0.000 2.392 645 V HA -0.337 3.781 4.120 -0.003 0.000 0.249 645 V C 2.717 178.694 176.094 -0.196 0.000 1.059 645 V CA 2.290 64.460 62.300 -0.217 0.000 1.051 645 V CB -0.886 30.846 31.823 -0.153 0.000 0.658 645 V HN 0.767 nan 8.190 nan 0.000 0.455 646 Q N -0.060 119.708 119.800 -0.053 0.000 2.112 646 Q HA -0.279 4.059 4.340 -0.003 0.000 0.206 646 Q C 2.251 178.233 176.000 -0.031 0.000 0.987 646 Q CA 1.667 57.469 55.803 -0.001 0.000 0.858 646 Q CB 0.009 28.798 28.738 0.084 0.000 0.905 646 Q HN 0.466 nan 8.270 nan 0.000 0.420 647 K N 0.507 120.892 120.400 -0.025 0.000 2.097 647 K HA -0.056 4.263 4.320 -0.003 0.000 0.205 647 K C 2.153 178.663 176.600 -0.150 0.000 1.050 647 K CA 0.717 56.937 56.287 -0.111 0.000 0.938 647 K CB -0.415 31.990 32.500 -0.158 0.000 0.718 647 K HN 0.328 nan 8.250 nan 0.000 0.442 648 L N 1.512 122.591 121.223 -0.240 0.000 2.191 648 L HA -0.144 4.194 4.340 -0.003 0.000 0.212 648 L C 2.028 178.789 176.870 -0.183 0.000 1.103 648 L CA 0.916 55.555 54.840 -0.334 0.000 0.769 648 L CB -0.473 41.137 42.059 -0.750 0.000 0.908 648 L HN 0.145 nan 8.230 nan 0.000 0.438 649 E N -0.245 119.882 120.200 -0.123 0.000 2.273 649 E HA -0.237 4.111 4.350 -0.003 0.000 0.198 649 E C 2.282 178.960 176.600 0.131 0.000 1.002 649 E CA 1.501 57.989 56.400 0.148 0.000 0.828 649 E CB -0.194 29.564 29.700 0.097 0.000 0.747 649 E HN 0.415 nan 8.360 nan 0.000 0.491 650 S N -0.047 115.678 115.700 0.043 0.000 2.522 650 S HA -0.006 4.462 4.470 -0.003 0.000 0.227 650 S C 0.989 175.624 174.600 0.059 0.000 0.986 650 S CA -0.190 58.028 58.200 0.030 0.000 0.929 650 S CB -0.087 63.096 63.200 -0.029 0.000 0.769 650 S HN 0.077 nan 8.310 nan 0.000 0.529 651 L N 3.045 124.329 121.223 0.101 0.000 2.453 651 L HA 0.203 4.541 4.340 -0.003 0.000 0.272 651 L C 0.649 177.600 176.870 0.135 0.000 1.182 651 L CA -0.306 54.611 54.840 0.128 0.000 0.858 651 L CB 0.474 42.647 42.059 0.190 0.000 1.120 651 L HN 0.479 nan 8.230 nan 0.000 0.474 652 E N 1.790 122.058 120.200 0.113 0.000 2.318 652 E HA 0.083 4.431 4.350 -0.003 0.000 0.265 652 E C -0.267 176.396 176.600 0.106 0.000 1.069 652 E CA -0.864 55.595 56.400 0.098 0.000 0.893 652 E CB 1.038 30.787 29.700 0.081 0.000 1.076 652 E HN 0.478 nan 8.360 nan 0.000 0.414 653 D N 1.713 122.166 120.400 0.088 0.000 2.170 653 D HA -0.256 4.382 4.640 -0.003 0.000 0.193 653 D C 1.303 177.639 176.300 0.061 0.000 1.004 653 D CA 2.051 56.092 54.000 0.068 0.000 0.860 653 D CB -0.347 40.490 40.800 0.061 0.000 0.931 653 D HN 0.715 nan 8.370 nan 0.000 0.448 654 D N 0.033 120.500 120.400 0.111 0.000 2.149 654 D HA -0.149 4.489 4.640 -0.003 0.000 0.198 654 D C 1.343 177.601 176.300 -0.070 0.000 0.990 654 D CA 1.182 55.246 54.000 0.107 0.000 0.839 654 D CB 0.069 40.979 40.800 0.184 0.000 0.948 654 D HN 0.009 nan 8.370 nan 0.000 0.460 655 D N -0.968 119.490 120.400 0.098 0.000 2.194 655 D HA -0.049 4.589 4.640 -0.003 0.000 0.204 655 D C 2.218 178.672 176.300 0.258 0.000 0.964 655 D CA 0.298 54.446 54.000 0.247 0.000 0.846 655 D CB -0.072 40.906 40.800 0.297 0.000 0.962 655 D HN 0.126 nan 8.370 nan 0.000 0.490 656 V N 1.016 121.038 119.914 0.180 0.000 2.407 656 V HA -0.211 3.907 4.120 -0.003 0.000 0.248 656 V C 2.562 178.727 176.094 0.119 0.000 1.055 656 V CA 1.094 63.511 62.300 0.195 0.000 1.049 656 V CB -0.410 31.488 31.823 0.125 0.000 0.662 656 V HN 0.221 nan 8.190 nan 0.000 0.455 657 L N -0.834 120.378 121.223 -0.017 0.000 2.083 657 L HA -0.222 4.117 4.340 -0.003 0.000 0.209 657 L C 2.466 179.272 176.870 -0.106 0.000 1.083 657 L CA 1.849 56.618 54.840 -0.119 0.000 0.752 657 L CB -0.682 41.232 42.059 -0.242 0.000 0.899 657 L HN 0.448 nan 8.230 nan 0.000 0.433 658 H N -2.220 116.820 119.070 -0.050 0.000 2.389 658 H HA -0.142 4.413 4.556 -0.002 0.000 0.299 658 H C 1.104 176.161 175.328 -0.453 0.000 1.081 658 H CA 1.455 57.333 56.048 -0.283 0.000 1.345 658 H CB 0.139 29.653 29.762 -0.414 0.000 1.393 658 H HN 0.303 nan 8.280 nan 0.000 0.520 659 Y N -0.643 119.749 120.300 0.154 0.000 2.507 659 Y HA 0.053 4.601 4.550 -0.003 0.000 0.254 659 Y C 1.621 177.584 175.900 0.105 0.000 1.171 659 Y CA -0.399 57.762 58.100 0.101 0.000 1.238 659 Y CB 0.407 38.927 38.460 0.100 0.000 1.148 659 Y HN 0.114 nan 8.280 nan 0.000 0.525 660 L N 0.253 121.605 121.223 0.215 0.000 2.012 660 L HA -0.222 4.117 4.340 -0.003 0.000 0.210 660 L C 2.158 179.164 176.870 0.227 0.000 1.073 660 L CA 1.702 56.692 54.840 0.251 0.000 0.748 660 L CB -0.769 41.453 42.059 0.272 0.000 0.891 660 L HN 0.323 nan 8.230 nan 0.000 0.431 661 L N -0.640 120.634 121.223 0.085 0.000 2.042 661 L HA -0.223 4.115 4.340 -0.003 0.000 0.210 661 L C 2.504 179.279 176.870 -0.159 0.000 1.076 661 L CA 1.744 56.380 54.840 -0.340 0.000 0.749 661 L CB -0.864 40.749 42.059 -0.744 0.000 0.893 661 L HN 0.390 nan 8.230 nan 0.000 0.432 662 Q N -0.377 119.397 119.800 -0.042 0.000 2.084 662 Q HA -0.172 4.166 4.340 -0.003 0.000 0.202 662 Q C 2.370 178.414 176.000 0.073 0.000 0.978 662 Q CA 2.002 57.819 55.803 0.024 0.000 0.844 662 Q CB -0.588 28.220 28.738 0.116 0.000 0.898 662 Q HN 0.550 nan 8.270 nan 0.000 0.426 663 L N -0.259 121.042 121.223 0.130 0.000 2.046 663 L HA -0.153 4.186 4.340 -0.003 0.000 0.208 663 L C 2.489 179.437 176.870 0.131 0.000 1.077 663 L CA 0.673 55.606 54.840 0.155 0.000 0.747 663 L CB -0.625 41.572 42.059 0.231 0.000 0.896 663 L HN 0.009 nan 8.230 nan 0.000 0.432 664 V N -0.561 119.416 119.914 0.104 0.000 2.287 664 V HA -0.288 3.830 4.120 -0.003 0.000 0.248 664 V C 2.632 178.752 176.094 0.043 0.000 1.053 664 V CA 1.577 63.925 62.300 0.081 0.000 1.027 664 V CB -0.504 31.321 31.823 0.002 0.000 0.646 664 V HN 0.484 nan 8.190 nan 0.000 0.447 665 Q N -0.121 119.643 119.800 -0.059 0.000 2.135 665 Q HA -0.156 4.182 4.340 -0.003 0.000 0.204 665 Q C 2.381 178.286 176.000 -0.158 0.000 0.981 665 Q CA 1.878 57.606 55.803 -0.124 0.000 0.856 665 Q CB -0.780 27.867 28.738 -0.150 0.000 0.902 665 Q HN 0.665 nan 8.270 nan 0.000 0.425 666 A N 0.388 123.200 122.820 -0.014 0.000 2.125 666 A HA -0.084 4.235 4.320 -0.003 0.000 0.219 666 A C 2.311 179.887 177.584 -0.013 0.000 1.156 666 A CA 0.959 53.045 52.037 0.083 0.000 0.671 666 A CB -0.433 18.686 19.000 0.199 0.000 0.794 666 A HN 0.205 nan 8.150 nan 0.000 0.459 667 V N 0.007 119.904 119.914 -0.028 0.000 2.720 667 V HA -0.240 3.878 4.120 -0.003 0.000 0.256 667 V C 2.194 178.097 176.094 -0.320 0.000 1.082 667 V CA 2.098 64.354 62.300 -0.074 0.000 1.101 667 V CB -0.620 31.221 31.823 0.030 0.000 0.693 667 V HN 0.578 nan 8.190 nan 0.000 0.479 668 K N -0.427 119.622 120.400 -0.585 0.000 2.360 668 K HA -0.072 4.246 4.320 -0.003 0.000 0.201 668 K C 1.575 177.765 176.600 -0.683 0.000 1.046 668 K CA 1.302 56.937 56.287 -1.087 0.000 0.945 668 K CB -0.200 31.496 32.500 -1.340 0.000 0.750 668 K HN 0.493 nan 8.250 nan 0.000 0.464 669 F N 1.280 121.107 119.950 -0.205 0.000 2.765 669 F HA 0.071 4.596 4.527 -0.002 0.000 0.302 669 F C 0.611 176.337 175.800 -0.123 0.000 1.111 669 F CA -0.339 57.580 58.000 -0.136 0.000 1.359 669 F CB 0.384 39.321 39.000 -0.104 0.000 1.097 669 F HN -0.174 nan 8.300 nan 0.000 0.577 670 E N 2.643 122.844 120.200 0.002 0.000 2.259 670 E HA 0.064 4.412 4.350 -0.003 0.000 0.281 670 E C -1.498 175.051 176.600 -0.085 0.000 1.037 670 E CA -1.604 54.785 56.400 -0.017 0.000 0.854 670 E CB 0.881 30.578 29.700 -0.004 0.000 1.051 670 E HN 0.061 nan 8.360 nan 0.000 0.409 671 P HA -0.123 nan 4.420 nan 0.000 0.219 671 P C -0.160 176.762 177.300 -0.629 0.000 1.150 671 P CA 1.239 64.106 63.100 -0.387 0.000 0.814 671 P CB 0.254 31.681 31.700 -0.455 0.000 0.787 672 Y N -1.859 118.361 120.300 -0.132 0.000 2.487 672 Y HA 0.292 4.840 4.550 -0.003 0.000 0.337 672 Y C 2.258 178.069 175.900 -0.149 0.000 1.076 672 Y CA -0.799 57.186 58.100 -0.191 0.000 1.115 672 Y CB 0.668 39.074 38.460 -0.090 0.000 1.235 672 Y HN -0.152 nan 8.280 nan 0.000 0.468 673 H N -0.310 118.840 119.070 0.135 0.000 2.387 673 H HA -0.101 4.454 4.556 -0.002 0.000 0.299 673 H C -0.054 175.315 175.328 0.069 0.000 1.090 673 H CA 1.339 57.416 56.048 0.049 0.000 1.332 673 H CB 0.019 29.794 29.762 0.021 0.000 1.386 673 H HN 0.548 nan 8.280 nan 0.000 0.516 674 D N 0.944 121.482 120.400 0.232 0.000 2.274 674 D HA 0.267 4.906 4.640 -0.003 0.000 0.239 674 D C -0.433 175.955 176.300 0.147 0.000 1.104 674 D CA -0.388 53.709 54.000 0.162 0.000 0.840 674 D CB 0.888 41.779 40.800 0.153 0.000 1.100 674 D HN 0.248 nan 8.370 nan 0.000 0.477 675 S N 1.811 117.582 115.700 0.118 0.000 2.625 675 S HA 0.669 5.138 4.470 -0.003 0.000 0.271 675 S C 0.903 175.561 174.600 0.097 0.000 1.161 675 S CA -0.336 57.927 58.200 0.105 0.000 0.820 675 S CB 1.056 64.316 63.200 0.099 0.000 1.137 675 S HN 0.336 nan 8.310 nan 0.000 0.470 676 A N 0.515 123.385 122.820 0.083 0.000 1.877 676 A HA 0.006 4.325 4.320 -0.003 0.000 0.216 676 A C 2.046 179.707 177.584 0.128 0.000 1.186 676 A CA 1.857 53.947 52.037 0.088 0.000 0.620 676 A CB -1.136 17.894 19.000 0.049 0.000 0.822 676 A HN 1.087 nan 8.150 nan 0.000 0.443 677 L N -0.133 121.154 121.223 0.107 0.000 2.012 677 L HA -0.107 4.232 4.340 -0.003 0.000 0.210 677 L C 2.660 179.656 176.870 0.211 0.000 1.073 677 L CA 2.388 57.321 54.840 0.155 0.000 0.748 677 L CB -0.839 41.282 42.059 0.104 0.000 0.891 677 L HN 0.345 nan 8.230 nan 0.000 0.431 678 A N -0.460 122.450 122.820 0.150 0.000 1.933 678 A HA -0.213 4.105 4.320 -0.003 0.000 0.218 678 A C 2.405 180.072 177.584 0.138 0.000 1.175 678 A CA 1.813 53.932 52.037 0.137 0.000 0.628 678 A CB -0.562 18.500 19.000 0.103 0.000 0.814 678 A HN 0.541 nan 8.150 nan 0.000 0.444 679 R N -2.116 118.469 120.500 0.142 0.000 2.148 679 R HA -0.047 4.291 4.340 -0.003 0.000 0.223 679 R C 1.945 178.337 176.300 0.154 0.000 1.088 679 R CA 1.271 57.447 56.100 0.126 0.000 0.985 679 R CB -0.417 29.951 30.300 0.113 0.000 0.880 679 R HN 0.619 nan 8.270 nan 0.000 0.451 680 F N 1.735 121.718 119.950 0.055 0.000 2.084 680 F HA -0.130 4.396 4.527 -0.002 0.000 0.296 680 F C 1.861 177.698 175.800 0.061 0.000 1.111 680 F CA 1.360 59.393 58.000 0.055 0.000 1.224 680 F CB -0.333 38.699 39.000 0.053 0.000 0.991 680 F HN -0.146 nan 8.300 nan 0.000 0.471 681 L N -0.126 121.104 121.223 0.012 0.000 2.042 681 L HA -0.248 4.091 4.340 -0.003 0.000 0.210 681 L C 2.650 179.465 176.870 -0.093 0.000 1.076 681 L CA 1.284 56.072 54.840 -0.086 0.000 0.749 681 L CB -0.904 41.200 42.059 0.076 0.000 0.893 681 L HN 0.299 nan 8.230 nan 0.000 0.432 682 L N 0.169 121.390 121.223 -0.003 0.000 1.989 682 L HA -0.301 4.037 4.340 -0.003 0.000 0.211 682 L C 2.826 179.712 176.870 0.026 0.000 1.071 682 L CA 1.766 56.633 54.840 0.045 0.000 0.749 682 L CB -0.274 41.827 42.059 0.069 0.000 0.890 682 L HN 0.297 nan 8.230 nan 0.000 0.431 683 K N -0.636 119.745 120.400 -0.032 0.000 2.009 683 K HA -0.216 4.102 4.320 -0.003 0.000 0.210 683 K C 2.192 178.736 176.600 -0.094 0.000 1.049 683 K CA 1.333 57.589 56.287 -0.051 0.000 0.929 683 K CB 0.020 32.490 32.500 -0.049 0.000 0.714 683 K HN 0.209 nan 8.250 nan 0.000 0.440 684 R N -0.283 120.074 120.500 -0.239 0.000 2.115 684 R HA -0.046 4.292 4.340 -0.003 0.000 0.230 684 R C 2.349 178.607 176.300 -0.070 0.000 1.111 684 R CA 1.295 57.267 56.100 -0.214 0.000 0.976 684 R CB -1.073 28.977 30.300 -0.417 0.000 0.870 684 R HN 0.433 nan 8.270 nan 0.000 0.445 685 G N 0.926 109.696 108.800 -0.051 0.000 2.402 685 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.216 685 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.216 685 G C 1.550 176.616 174.900 0.276 0.000 1.162 685 G CA 0.129 45.244 45.100 0.026 0.000 0.777 685 G HN 0.203 nan 8.290 nan 0.000 0.539 686 L N -0.293 121.081 121.223 0.251 0.000 2.275 686 L HA 0.097 4.435 4.340 -0.003 0.000 0.215 686 L C 2.810 179.706 176.870 0.042 0.000 1.119 686 L CA 0.465 55.413 54.840 0.180 0.000 0.790 686 L CB -0.137 41.955 42.059 0.054 0.000 0.919 686 L HN 0.162 nan 8.230 nan 0.000 0.443 687 R N -0.028 120.513 120.500 0.069 0.000 2.246 687 R HA 0.013 4.352 4.340 -0.003 0.000 0.199 687 R C 0.305 176.742 176.300 0.227 0.000 0.984 687 R CA 0.299 56.435 56.100 0.060 0.000 1.015 687 R CB 0.372 30.687 30.300 0.025 0.000 0.930 687 R HN 0.251 nan 8.270 nan 0.000 0.475 688 N N 0.298 119.159 118.700 0.269 0.000 2.425 688 N HA 0.063 4.802 4.740 -0.003 0.000 0.289 688 N C -0.263 175.363 175.510 0.193 0.000 1.074 688 N CA -0.243 52.951 53.050 0.240 0.000 0.905 688 N CB 1.753 40.310 38.487 0.117 0.000 1.586 688 N HN -0.139 nan 8.380 nan 0.000 0.490 689 K N 1.849 122.285 120.400 0.061 0.000 2.103 689 K HA -0.158 4.161 4.320 -0.003 0.000 0.207 689 K C 1.707 178.250 176.600 -0.095 0.000 1.048 689 K CA 1.160 57.385 56.287 -0.103 0.000 0.930 689 K CB 0.197 32.415 32.500 -0.470 0.000 0.716 689 K HN 0.506 nan 8.250 nan 0.000 0.444 690 R N 1.198 121.624 120.500 -0.123 0.000 2.075 690 R HA -0.065 4.273 4.340 -0.003 0.000 0.232 690 R C 2.242 178.585 176.300 0.072 0.000 1.126 690 R CA 1.108 57.152 56.100 -0.093 0.000 0.963 690 R CB -0.130 30.023 30.300 -0.246 0.000 0.858 690 R HN 0.132 nan 8.270 nan 0.000 0.435 691 I N -0.074 120.510 120.570 0.024 0.000 2.252 691 I HA -0.142 4.026 4.170 -0.003 0.000 0.245 691 I C 2.425 178.538 176.117 -0.006 0.000 1.102 691 I CA 1.311 62.627 61.300 0.027 0.000 1.385 691 I CB -0.543 37.450 38.000 -0.012 0.000 1.064 691 I HN 0.394 nan 8.210 nan 0.000 0.414 692 G N -0.136 108.685 108.800 0.035 0.000 2.418 692 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.217 692 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.217 692 G C 1.484 176.371 174.900 -0.022 0.000 1.158 692 G CA 1.236 46.314 45.100 -0.037 0.000 0.771 692 G HN 0.414 nan 8.290 nan 0.000 0.545 693 H N -0.135 118.958 119.070 0.038 0.000 2.293 693 H HA -0.013 4.541 4.556 -0.003 0.000 0.300 693 H C 2.169 177.424 175.328 -0.121 0.000 1.082 693 H CA 1.742 57.808 56.048 0.030 0.000 1.308 693 H CB -0.354 29.278 29.762 -0.217 0.000 1.375 693 H HN 0.346 nan 8.280 nan 0.000 0.495 694 F N -0.660 119.199 119.950 -0.152 0.000 2.234 694 F HA -0.081 4.445 4.527 -0.002 0.000 0.299 694 F C 2.324 177.660 175.800 -0.773 0.000 1.087 694 F CA 0.676 58.364 58.000 -0.520 0.000 1.340 694 F CB -0.255 38.397 39.000 -0.580 0.000 1.031 694 F HN 0.234 nan 8.300 nan 0.000 0.500 695 L N -0.335 120.684 121.223 -0.341 0.000 2.017 695 L HA -0.210 4.129 4.340 -0.003 0.000 0.208 695 L C 2.227 178.864 176.870 -0.389 0.000 1.073 695 L CA 1.625 56.267 54.840 -0.329 0.000 0.745 695 L CB -1.145 40.673 42.059 -0.400 0.000 0.894 695 L HN 0.178 nan 8.230 nan 0.000 0.432 696 F N -0.523 119.035 119.950 -0.654 0.000 2.027 696 F HA -0.323 4.202 4.527 -0.002 0.000 0.297 696 F C 1.941 177.360 175.800 -0.635 0.000 1.129 696 F CA 2.367 59.906 58.000 -0.769 0.000 1.195 696 F CB -0.813 37.482 39.000 -1.175 0.000 0.960 696 F HN 0.155 nan 8.300 nan 0.000 0.485 697 W N -0.365 120.772 121.300 -0.272 0.000 2.363 697 W HA -0.136 4.522 4.660 -0.002 0.000 0.296 697 W C 2.517 178.991 176.519 -0.075 0.000 1.212 697 W CA 1.224 58.450 57.345 -0.198 0.000 1.260 697 W CB -0.827 28.568 29.460 -0.108 0.000 1.131 697 W HN 0.050 nan 8.180 nan 0.000 0.530 698 F N -0.302 119.658 119.950 0.017 0.000 2.146 698 F HA -0.195 4.331 4.527 -0.002 0.000 0.298 698 F C 2.120 177.746 175.800 -0.290 0.000 1.096 698 F CA 0.529 58.475 58.000 -0.089 0.000 1.275 698 F CB -0.712 38.242 39.000 -0.077 0.000 1.008 698 F HN -0.187 nan 8.300 nan 0.000 0.480 699 L N -0.122 120.990 121.223 -0.185 0.000 2.056 699 L HA -0.171 4.168 4.340 -0.003 0.000 0.207 699 L C 2.542 179.207 176.870 -0.342 0.000 1.078 699 L CA 1.075 55.696 54.840 -0.365 0.000 0.749 699 L CB -0.566 41.321 42.059 -0.287 0.000 0.901 699 L HN 0.040 nan 8.230 nan 0.000 0.433 700 R N 0.191 120.450 120.500 -0.402 0.000 2.096 700 R HA -0.168 4.170 4.340 -0.003 0.000 0.235 700 R C 2.574 178.802 176.300 -0.119 0.000 1.127 700 R CA 1.665 57.556 56.100 -0.349 0.000 0.968 700 R CB -0.098 29.851 30.300 -0.586 0.000 0.861 700 R HN 0.469 nan 8.270 nan 0.000 0.440 701 S N 0.010 115.687 115.700 -0.038 0.000 2.402 701 S HA -0.069 4.400 4.470 -0.003 0.000 0.229 701 S C 1.569 176.136 174.600 -0.055 0.000 1.021 701 S CA 0.722 58.931 58.200 0.014 0.000 0.974 701 S CB -0.019 63.221 63.200 0.066 0.000 0.800 701 S HN 0.299 nan 8.310 nan 0.000 0.484 702 E N 1.485 121.588 120.200 -0.163 0.000 2.076 702 E HA 0.122 4.470 4.350 -0.003 0.000 0.190 702 E C 2.095 178.678 176.600 -0.029 0.000 0.979 702 E CA 0.727 57.029 56.400 -0.164 0.000 0.807 702 E CB -0.462 28.940 29.700 -0.496 0.000 0.761 702 E HN 0.587 nan 8.360 nan 0.000 0.454 703 I N 1.235 121.775 120.570 -0.051 0.000 2.264 703 I HA -0.262 3.907 4.170 -0.003 0.000 0.248 703 I C 2.302 178.421 176.117 0.003 0.000 1.111 703 I CA 1.281 62.572 61.300 -0.015 0.000 1.382 703 I CB -0.157 37.813 38.000 -0.050 0.000 1.060 703 I HN -0.003 nan 8.210 nan 0.000 0.418 704 A N -0.649 122.178 122.820 0.013 0.000 2.021 704 A HA -0.085 4.233 4.320 -0.003 0.000 0.216 704 A C 2.099 179.719 177.584 0.059 0.000 1.163 704 A CA 0.936 53.002 52.037 0.050 0.000 0.676 704 A CB -0.118 18.918 19.000 0.059 0.000 0.818 704 A HN 0.467 nan 8.150 nan 0.000 0.453 705 Q N -1.346 118.483 119.800 0.047 0.000 2.280 705 Q HA 0.184 4.522 4.340 -0.003 0.000 0.228 705 Q C 0.191 176.232 176.000 0.068 0.000 0.857 705 Q CA 0.248 56.086 55.803 0.057 0.000 0.939 705 Q CB 0.788 29.553 28.738 0.045 0.000 1.114 705 Q HN 0.394 nan 8.270 nan 0.000 0.514 706 S N 0.527 116.271 115.700 0.072 0.000 2.601 706 S HA 0.273 4.742 4.470 -0.003 0.000 0.312 706 S C 0.598 175.248 174.600 0.083 0.000 1.107 706 S CA -0.630 57.634 58.200 0.107 0.000 1.129 706 S CB 0.472 63.764 63.200 0.153 0.000 0.982 706 S HN 0.178 nan 8.310 nan 0.000 0.469 707 R N 2.511 123.049 120.500 0.064 0.000 2.189 707 R HA -0.034 4.304 4.340 -0.003 0.000 0.218 707 R C 0.934 177.154 176.300 -0.134 0.000 1.074 707 R CA 1.065 57.182 56.100 0.028 0.000 0.991 707 R CB -0.374 30.022 30.300 0.160 0.000 0.883 707 R HN 0.734 nan 8.270 nan 0.000 0.457 708 H N -0.951 117.852 119.070 -0.444 0.000 2.387 708 H HA -0.103 4.451 4.556 -0.003 0.000 0.299 708 H C 0.633 175.510 175.328 -0.752 0.000 1.090 708 H CA 1.504 57.066 56.048 -0.809 0.000 1.332 708 H CB 0.007 29.238 29.762 -0.886 0.000 1.386 708 H HN 0.225 nan 8.280 nan 0.000 0.516 709 Y N 0.112 120.397 120.300 -0.024 0.000 2.588 709 Y HA 0.057 4.606 4.550 -0.003 0.000 0.247 709 Y C 1.866 177.722 175.900 -0.075 0.000 1.157 709 Y CA -0.359 57.682 58.100 -0.099 0.000 1.215 709 Y CB 0.407 38.786 38.460 -0.135 0.000 1.245 709 Y HN 0.247 nan 8.280 nan 0.000 0.534 710 Q N 0.238 120.045 119.800 0.012 0.000 2.181 710 Q HA -0.245 4.093 4.340 -0.003 0.000 0.205 710 Q C 1.257 177.047 176.000 -0.349 0.000 0.980 710 Q CA 1.898 57.630 55.803 -0.117 0.000 0.862 710 Q CB -0.282 28.306 28.738 -0.249 0.000 0.905 710 Q HN 0.531 nan 8.270 nan 0.000 0.429 711 Q N 0.610 120.173 119.800 -0.395 0.000 2.046 711 Q HA -0.139 4.200 4.340 -0.003 0.000 0.200 711 Q C 2.265 178.081 176.000 -0.307 0.000 0.975 711 Q CA 1.581 57.150 55.803 -0.391 0.000 0.836 711 Q CB -0.169 28.416 28.738 -0.256 0.000 0.896 711 Q HN 0.410 nan 8.270 nan 0.000 0.428 712 R N 0.254 120.561 120.500 -0.323 0.000 2.075 712 R HA -0.120 4.218 4.340 -0.003 0.000 0.232 712 R C 1.971 178.133 176.300 -0.230 0.000 1.126 712 R CA 1.268 57.161 56.100 -0.346 0.000 0.963 712 R CB -0.220 29.960 30.300 -0.200 0.000 0.858 712 R HN 0.215 nan 8.270 nan 0.000 0.435 713 F N 0.652 120.561 119.950 -0.067 0.000 2.216 713 F HA -0.124 4.401 4.527 -0.003 0.000 0.300 713 F C 2.590 178.327 175.800 -0.105 0.000 1.085 713 F CA 0.732 58.686 58.000 -0.077 0.000 1.326 713 F CB -0.167 38.785 39.000 -0.081 0.000 1.027 713 F HN 0.229 nan 8.300 nan 0.000 0.497 714 A N -0.149 122.688 122.820 0.028 0.000 1.902 714 A HA -0.133 4.185 4.320 -0.003 0.000 0.217 714 A C 2.292 179.882 177.584 0.010 0.000 1.181 714 A CA 1.711 53.753 52.037 0.008 0.000 0.623 714 A CB -1.144 17.874 19.000 0.030 0.000 0.818 714 A HN 0.163 nan 8.150 nan 0.000 0.443 715 V N 0.363 120.264 119.914 -0.022 0.000 2.295 715 V HA -0.281 3.837 4.120 -0.003 0.000 0.246 715 V C 2.429 178.527 176.094 0.007 0.000 1.049 715 V CA 2.116 64.403 62.300 -0.021 0.000 1.024 715 V CB -0.660 31.124 31.823 -0.066 0.000 0.648 715 V HN 0.585 nan 8.190 nan 0.000 0.447 716 I N -0.789 119.798 120.570 0.028 0.000 2.226 716 I HA -0.256 3.913 4.170 -0.003 0.000 0.245 716 I C 2.377 178.534 176.117 0.067 0.000 1.100 716 I CA 1.486 62.824 61.300 0.062 0.000 1.374 716 I CB -0.297 37.768 38.000 0.107 0.000 1.057 716 I HN 0.273 nan 8.210 nan 0.000 0.413 717 L N 0.679 121.924 121.223 0.036 0.000 2.093 717 L HA -0.207 4.131 4.340 -0.003 0.000 0.208 717 L C 2.616 179.509 176.870 0.039 0.000 1.085 717 L CA 1.521 56.364 54.840 0.006 0.000 0.755 717 L CB -0.336 41.646 42.059 -0.128 0.000 0.904 717 L HN 0.363 nan 8.230 nan 0.000 0.435 718 E N 0.065 120.268 120.200 0.006 0.000 2.077 718 E HA -0.251 4.097 4.350 -0.003 0.000 0.193 718 E C 2.060 178.662 176.600 0.003 0.000 0.989 718 E CA 1.235 57.625 56.400 -0.017 0.000 0.800 718 E CB 0.018 29.702 29.700 -0.027 0.000 0.746 718 E HN 0.516 nan 8.360 nan 0.000 0.452 719 A N 0.385 123.224 122.820 0.031 0.000 1.933 719 A HA -0.211 4.108 4.320 -0.003 0.000 0.218 719 A C 2.044 179.664 177.584 0.060 0.000 1.175 719 A CA 1.562 53.622 52.037 0.039 0.000 0.628 719 A CB -0.885 18.142 19.000 0.045 0.000 0.814 719 A HN 0.621 nan 8.150 nan 0.000 0.444 720 Y N 0.357 120.655 120.300 -0.003 0.000 2.220 720 Y HA -0.044 4.505 4.550 -0.002 0.000 0.291 720 Y C 1.844 177.769 175.900 0.042 0.000 1.129 720 Y CA 1.546 59.655 58.100 0.014 0.000 1.161 720 Y CB -0.322 38.137 38.460 -0.002 0.000 0.997 720 Y HN 0.180 nan 8.280 nan 0.000 0.522 721 L N 0.043 121.178 121.223 -0.147 0.000 2.191 721 L HA -0.172 4.167 4.340 -0.003 0.000 0.212 721 L C 2.252 179.062 176.870 -0.100 0.000 1.103 721 L CA 1.261 55.995 54.840 -0.178 0.000 0.769 721 L CB -0.418 41.611 42.059 -0.051 0.000 0.908 721 L HN 0.156 nan 8.230 nan 0.000 0.438 722 R N -0.482 119.989 120.500 -0.049 0.000 2.307 722 R HA 0.013 4.352 4.340 -0.003 0.000 0.199 722 R C 1.577 177.887 176.300 0.017 0.000 1.000 722 R CA 0.681 56.818 56.100 0.062 0.000 1.023 722 R CB 0.060 30.405 30.300 0.075 0.000 0.908 722 R HN 0.328 nan 8.270 nan 0.000 0.473 723 G N -0.848 107.899 108.800 -0.088 0.000 3.443 723 G HA2 -0.060 3.899 3.960 -0.003 0.000 0.252 723 G HA3 -0.060 3.899 3.960 -0.003 0.000 0.252 723 G C 1.103 175.911 174.900 -0.154 0.000 1.015 723 G CA -0.127 44.913 45.100 -0.100 0.000 0.891 723 G HN 0.411 nan 8.290 nan 0.000 0.510 724 C N -0.644 118.506 119.300 -0.251 0.000 2.468 724 C HA 0.574 5.033 4.460 -0.003 0.000 0.277 724 C C 1.457 176.489 174.990 0.069 0.000 1.400 724 C CA 0.090 59.010 59.018 -0.164 0.000 1.770 724 C CB -0.965 26.554 27.740 -0.368 0.000 1.905 724 C HN 1.287 nan 8.230 nan 0.000 0.519 725 G N -0.599 108.223 108.800 0.036 0.000 2.576 725 G HA2 0.076 4.035 3.960 -0.003 0.000 0.686 725 G HA3 0.076 4.035 3.960 -0.003 0.000 0.686 725 G C 0.021 174.954 174.900 0.055 0.000 1.242 725 G CA -0.134 45.007 45.100 0.069 0.000 0.819 725 G HN 0.255 nan 8.290 nan 0.000 0.655 726 T N 1.184 115.762 114.554 0.039 0.000 2.635 726 T HA -0.056 4.292 4.350 -0.003 0.000 0.267 726 T C 2.942 177.663 174.700 0.036 0.000 1.040 726 T CA 3.278 65.399 62.100 0.036 0.000 1.156 726 T CB -0.545 68.324 68.868 0.001 0.000 0.863 726 T HN 1.687 nan 8.240 nan 0.000 0.430 727 A N 1.388 124.213 122.820 0.007 0.000 1.892 727 A HA -0.118 4.200 4.320 -0.003 0.000 0.218 727 A C 2.388 179.940 177.584 -0.053 0.000 1.188 727 A CA 1.824 53.856 52.037 -0.009 0.000 0.631 727 A CB -0.723 18.253 19.000 -0.039 0.000 0.822 727 A HN 0.462 nan 8.150 nan 0.000 0.447 728 M N -1.586 117.947 119.600 -0.111 0.000 2.175 728 M HA -0.091 4.387 4.480 -0.003 0.000 0.264 728 M C 2.112 178.238 176.300 -0.290 0.000 1.063 728 M CA 1.049 56.163 55.300 -0.311 0.000 1.119 728 M CB -0.387 32.071 32.600 -0.237 0.000 1.377 728 M HN 0.393 nan 8.290 nan 0.000 0.415 729 L N -0.279 120.947 121.223 0.005 0.000 2.079 729 L HA -0.235 4.104 4.340 -0.003 0.000 0.210 729 L C 2.492 179.413 176.870 0.085 0.000 1.081 729 L CA 2.029 56.949 54.840 0.133 0.000 0.752 729 L CB -0.898 41.257 42.059 0.160 0.000 0.896 729 L HN 0.325 nan 8.230 nan 0.000 0.433 730 H N -0.959 118.087 119.070 -0.040 0.000 2.363 730 H HA -0.112 4.443 4.556 -0.002 0.000 0.301 730 H C 1.795 177.076 175.328 -0.078 0.000 1.074 730 H CA 1.864 57.890 56.048 -0.037 0.000 1.354 730 H CB 0.020 29.759 29.762 -0.039 0.000 1.397 730 H HN 0.318 nan 8.280 nan 0.000 0.516 731 D N -0.026 120.199 120.400 -0.290 0.000 2.097 731 D HA -0.165 4.473 4.640 -0.003 0.000 0.195 731 D C 2.169 178.277 176.300 -0.320 0.000 0.989 731 D CA 1.185 54.957 54.000 -0.380 0.000 0.827 731 D CB -0.630 39.901 40.800 -0.448 0.000 0.966 731 D HN 0.432 nan 8.370 nan 0.000 0.456 732 F N 1.280 121.062 119.950 -0.280 0.000 2.126 732 F HA -0.182 4.343 4.527 -0.003 0.000 0.299 732 F C 2.671 178.322 175.800 -0.248 0.000 1.096 732 F CA 1.015 58.745 58.000 -0.450 0.000 1.255 732 F CB -0.467 38.069 39.000 -0.774 0.000 0.997 732 F HN -0.078 nan 8.300 nan 0.000 0.479 733 T N -0.617 113.933 114.554 -0.006 0.000 2.746 733 T HA -0.196 4.152 4.350 -0.003 0.000 0.267 733 T C 1.912 176.589 174.700 -0.039 0.000 1.039 733 T CA 1.190 63.286 62.100 -0.007 0.000 1.142 733 T CB -0.246 68.621 68.868 -0.002 0.000 0.866 733 T HN 0.192 nan 8.240 nan 0.000 0.444 734 Q N 1.268 120.992 119.800 -0.127 0.000 2.046 734 Q HA -0.059 4.280 4.340 -0.003 0.000 0.200 734 Q C 2.446 178.425 176.000 -0.034 0.000 0.975 734 Q CA 1.371 57.115 55.803 -0.099 0.000 0.836 734 Q CB -0.495 28.153 28.738 -0.150 0.000 0.896 734 Q HN 0.646 nan 8.270 nan 0.000 0.428 735 Q N 0.036 119.870 119.800 0.058 0.000 2.061 735 Q HA -0.107 4.231 4.340 -0.003 0.000 0.204 735 Q C 2.279 178.385 176.000 0.175 0.000 0.984 735 Q CA 1.523 57.425 55.803 0.166 0.000 0.846 735 Q CB -0.088 28.919 28.738 0.449 0.000 0.902 735 Q HN 0.146 nan 8.270 nan 0.000 0.421 736 V N 1.008 121.043 119.914 0.202 0.000 2.427 736 V HA -0.278 3.841 4.120 -0.003 0.000 0.248 736 V C 2.141 178.290 176.094 0.090 0.000 1.051 736 V CA 1.754 64.178 62.300 0.208 0.000 1.048 736 V CB -0.549 31.374 31.823 0.166 0.000 0.666 736 V HN 0.377 nan 8.190 nan 0.000 0.456 737 Q N -0.463 119.349 119.800 0.021 0.000 2.030 737 Q HA -0.192 4.147 4.340 -0.003 0.000 0.204 737 Q C 2.391 178.347 176.000 -0.073 0.000 0.986 737 Q CA 2.067 57.858 55.803 -0.019 0.000 0.843 737 Q CB -0.383 28.337 28.738 -0.031 0.000 0.904 737 Q HN 0.539 nan 8.270 nan 0.000 0.420 738 V N 0.924 120.734 119.914 -0.173 0.000 2.287 738 V HA -0.287 3.831 4.120 -0.003 0.000 0.248 738 V C 2.144 178.119 176.094 -0.199 0.000 1.053 738 V CA 1.762 63.886 62.300 -0.293 0.000 1.027 738 V CB -0.479 30.896 31.823 -0.746 0.000 0.646 738 V HN 0.325 nan 8.190 nan 0.000 0.447 739 I N 0.001 120.526 120.570 -0.075 0.000 2.226 739 I HA -0.219 3.949 4.170 -0.003 0.000 0.245 739 I C 2.250 178.400 176.117 0.055 0.000 1.100 739 I CA 1.583 62.928 61.300 0.075 0.000 1.374 739 I CB -0.459 37.694 38.000 0.255 0.000 1.057 739 I HN 0.307 nan 8.210 nan 0.000 0.413 740 D N 0.372 120.801 120.400 0.049 0.000 2.117 740 D HA -0.172 4.467 4.640 -0.003 0.000 0.197 740 D C 2.320 178.605 176.300 -0.025 0.000 0.987 740 D CA 1.450 55.475 54.000 0.042 0.000 0.829 740 D CB -0.206 40.619 40.800 0.041 0.000 0.961 740 D HN 0.311 nan 8.370 nan 0.000 0.460 741 M N 0.029 119.586 119.600 -0.071 0.000 2.086 741 M HA -0.108 4.371 4.480 -0.003 0.000 0.261 741 M C 2.340 178.534 176.300 -0.177 0.000 1.067 741 M CA 1.047 56.288 55.300 -0.099 0.000 1.116 741 M CB -0.189 32.355 32.600 -0.094 0.000 1.348 741 M HN -0.017 nan 8.290 nan 0.000 0.407 742 L N -0.304 120.728 121.223 -0.318 0.000 2.093 742 L HA -0.234 4.105 4.340 -0.003 0.000 0.208 742 L C 2.669 179.165 176.870 -0.623 0.000 1.085 742 L CA 1.320 55.789 54.840 -0.619 0.000 0.755 742 L CB -0.613 40.764 42.059 -1.137 0.000 0.904 742 L HN 0.454 nan 8.230 nan 0.000 0.435 743 Q N 1.263 120.880 119.800 -0.305 0.000 2.046 743 Q HA -0.254 4.085 4.340 -0.003 0.000 0.200 743 Q C 2.196 178.208 176.000 0.020 0.000 0.975 743 Q CA 2.003 57.861 55.803 0.091 0.000 0.836 743 Q CB -0.020 28.874 28.738 0.260 0.000 0.896 743 Q HN 0.528 nan 8.270 nan 0.000 0.428 744 K N -0.436 119.953 120.400 -0.018 0.000 2.152 744 K HA -0.116 4.203 4.320 -0.003 0.000 0.206 744 K C 1.783 178.361 176.600 -0.037 0.000 1.048 744 K CA 1.581 57.860 56.287 -0.013 0.000 0.933 744 K CB -0.312 32.179 32.500 -0.015 0.000 0.721 744 K HN 0.086 nan 8.250 nan 0.000 0.447 745 V N 2.495 122.362 119.914 -0.079 0.000 2.343 745 V HA -0.243 3.875 4.120 -0.003 0.000 0.247 745 V C 2.677 178.723 176.094 -0.080 0.000 1.051 745 V CA 2.359 64.610 62.300 -0.082 0.000 1.036 745 V CB -0.735 31.017 31.823 -0.120 0.000 0.654 745 V HN 0.765 nan 8.190 nan 0.000 0.451 746 T N -2.172 112.321 114.554 -0.102 0.000 3.035 746 T HA -0.004 4.344 4.350 -0.003 0.000 0.268 746 T C 1.664 176.294 174.700 -0.117 0.000 1.109 746 T CA 1.210 63.197 62.100 -0.188 0.000 1.119 746 T CB -0.306 68.363 68.868 -0.331 0.000 0.900 746 T HN 0.430 nan 8.240 nan 0.000 0.503 747 I N 0.835 121.382 120.570 -0.039 0.000 2.703 747 I HA 0.057 4.225 4.170 -0.003 0.000 0.259 747 I C 1.951 178.068 176.117 -0.000 0.000 1.151 747 I CA 0.608 61.907 61.300 -0.002 0.000 1.470 747 I CB -0.061 37.953 38.000 0.023 0.000 1.112 747 I HN 0.075 nan 8.210 nan 0.000 0.437 748 D N 1.089 121.483 120.400 -0.010 0.000 2.224 748 D HA 0.070 4.709 4.640 -0.003 0.000 0.205 748 D C 0.980 177.282 176.300 0.003 0.000 0.965 748 D CA 1.012 55.011 54.000 -0.003 0.000 0.852 748 D CB 0.162 40.956 40.800 -0.009 0.000 0.947 748 D HN 0.224 nan 8.370 nan 0.000 0.494 749 I N 2.025 122.592 120.570 -0.005 0.000 2.224 749 I HA 0.038 4.207 4.170 -0.003 0.000 0.293 749 I C 1.102 177.232 176.117 0.023 0.000 1.155 749 I CA -0.391 60.915 61.300 0.010 0.000 1.297 749 I CB 0.729 38.731 38.000 0.003 0.000 1.487 749 I HN -0.289 nan 8.210 nan 0.000 0.564 750 K N 2.108 122.531 120.400 0.040 0.000 2.173 750 K HA -0.182 4.136 4.320 -0.003 0.000 0.207 750 K C 2.087 178.734 176.600 0.079 0.000 1.046 750 K CA 1.590 57.910 56.287 0.056 0.000 0.929 750 K CB -0.369 32.167 32.500 0.061 0.000 0.720 750 K HN 0.644 nan 8.250 nan 0.000 0.453 751 S N 0.648 116.412 115.700 0.107 0.000 2.515 751 S HA 0.003 4.471 4.470 -0.003 0.000 0.231 751 S C 1.961 176.575 174.600 0.023 0.000 0.987 751 S CA 0.298 58.581 58.200 0.137 0.000 0.936 751 S CB -0.411 62.955 63.200 0.276 0.000 0.766 751 S HN 0.218 nan 8.310 nan 0.000 0.528 752 L N 1.253 122.506 121.223 0.050 0.000 2.275 752 L HA 0.024 4.363 4.340 -0.003 0.000 0.215 752 L C 1.899 178.858 176.870 0.148 0.000 1.119 752 L CA 0.955 55.851 54.840 0.093 0.000 0.790 752 L CB -0.477 41.606 42.059 0.041 0.000 0.919 752 L HN 0.361 nan 8.230 nan 0.000 0.443 753 S N -0.411 115.338 115.700 0.083 0.000 2.577 753 S HA 0.273 4.741 4.470 -0.003 0.000 0.219 753 S C 0.779 175.371 174.600 -0.012 0.000 0.962 753 S CA -0.067 58.177 58.200 0.074 0.000 0.921 753 S CB 0.273 63.521 63.200 0.081 0.000 0.789 753 S HN 0.291 nan 8.310 nan 0.000 0.497 754 A N 1.442 124.200 122.820 -0.104 0.000 2.322 754 A HA 0.444 4.763 4.320 -0.003 0.000 0.327 754 A C 0.653 178.028 177.584 -0.347 0.000 1.394 754 A CA -0.578 51.324 52.037 -0.225 0.000 0.921 754 A CB 0.286 19.093 19.000 -0.322 0.000 1.153 754 A HN 0.305 nan 8.150 nan 0.000 0.523 755 E N 1.608 121.693 120.200 -0.190 0.000 2.347 755 E HA -0.131 4.218 4.350 -0.003 0.000 0.196 755 E C 1.253 177.761 176.600 -0.154 0.000 1.008 755 E CA 0.774 57.078 56.400 -0.160 0.000 0.852 755 E CB 0.096 29.740 29.700 -0.094 0.000 0.783 755 E HN 0.746 nan 8.360 nan 0.000 0.505 756 K N 0.366 120.683 120.400 -0.138 0.000 2.032 756 K HA -0.143 4.176 4.320 -0.003 0.000 0.209 756 K C 0.622 177.246 176.600 0.039 0.000 1.048 756 K CA 1.307 57.582 56.287 -0.019 0.000 0.927 756 K CB -0.168 32.384 32.500 0.086 0.000 0.712 756 K HN 0.202 nan 8.250 nan 0.000 0.441 757 Y N 0.123 120.426 120.300 0.005 0.000 2.487 757 Y HA 0.435 4.984 4.550 -0.003 0.000 0.337 757 Y C -0.467 175.438 175.900 0.007 0.000 1.076 757 Y CA -2.080 56.023 58.100 0.004 0.000 1.115 757 Y CB 0.652 39.116 38.460 0.006 0.000 1.235 757 Y HN -0.176 nan 8.280 nan 0.000 0.468 758 D N 0.717 121.220 120.400 0.172 0.000 2.363 758 D HA 0.236 4.875 4.640 -0.003 0.000 0.240 758 D C -0.634 175.749 176.300 0.138 0.000 1.236 758 D CA -0.176 53.881 54.000 0.095 0.000 0.927 758 D CB 0.829 41.672 40.800 0.071 0.000 1.150 758 D HN 0.475 nan 8.370 nan 0.000 0.458 759 V N 1.456 121.415 119.914 0.074 0.000 2.427 759 V HA 0.203 4.321 4.120 -0.003 0.000 0.268 759 V C 0.637 176.775 176.094 0.074 0.000 1.046 759 V CA -0.403 61.944 62.300 0.079 0.000 0.970 759 V CB 0.369 32.220 31.823 0.047 0.000 1.001 759 V HN 0.637 nan 8.190 nan 0.000 0.476 760 S N 3.575 119.328 115.700 0.089 0.000 2.681 760 S HA 0.225 4.693 4.470 -0.003 0.000 0.270 760 S C 1.429 176.052 174.600 0.038 0.000 1.209 760 S CA 0.053 58.288 58.200 0.058 0.000 0.988 760 S CB 1.348 64.581 63.200 0.055 0.000 1.006 760 S HN 0.935 nan 8.310 nan 0.000 0.558 761 S N 0.401 116.115 115.700 0.024 0.000 2.436 761 S HA -0.127 4.342 4.470 -0.003 0.000 0.228 761 S C 1.764 176.374 174.600 0.017 0.000 1.014 761 S CA 0.449 58.658 58.200 0.015 0.000 0.950 761 S CB -0.612 62.592 63.200 0.007 0.000 0.784 761 S HN 0.765 nan 8.310 nan 0.000 0.504 762 Q N 1.372 121.184 119.800 0.020 0.000 2.079 762 Q HA 0.041 4.380 4.340 -0.003 0.000 0.200 762 Q C 2.399 178.415 176.000 0.026 0.000 0.974 762 Q CA 1.373 57.188 55.803 0.019 0.000 0.840 762 Q CB -1.540 27.208 28.738 0.016 0.000 0.898 762 Q HN 0.518 nan 8.270 nan 0.000 0.430 763 V N 1.319 121.258 119.914 0.040 0.000 2.343 763 V HA -0.205 3.913 4.120 -0.003 0.000 0.247 763 V C 2.245 178.361 176.094 0.037 0.000 1.051 763 V CA 1.183 63.512 62.300 0.048 0.000 1.036 763 V CB -0.416 31.451 31.823 0.073 0.000 0.654 763 V HN 0.283 nan 8.190 nan 0.000 0.451 764 I N 0.060 120.650 120.570 0.034 0.000 2.179 764 I HA -0.214 3.955 4.170 -0.003 0.000 0.242 764 I C 2.777 178.906 176.117 0.018 0.000 1.088 764 I CA 1.991 63.307 61.300 0.027 0.000 1.357 764 I CB -0.576 37.435 38.000 0.017 0.000 1.051 764 I HN 0.402 nan 8.210 nan 0.000 0.409 765 S N 0.084 115.793 115.700 0.015 0.000 2.383 765 S HA -0.294 4.175 4.470 -0.003 0.000 0.229 765 S C 2.036 176.642 174.600 0.009 0.000 1.030 765 S CA 1.813 60.018 58.200 0.009 0.000 1.002 765 S CB -0.246 62.959 63.200 0.008 0.000 0.829 765 S HN 0.485 nan 8.310 nan 0.000 0.467 766 Q N -0.156 119.652 119.800 0.013 0.000 2.167 766 Q HA -0.032 4.306 4.340 -0.003 0.000 0.202 766 Q C 2.154 178.158 176.000 0.008 0.000 0.970 766 Q CA 1.055 56.864 55.803 0.011 0.000 0.855 766 Q CB -0.219 28.529 28.738 0.017 0.000 0.911 766 Q HN 0.526 nan 8.270 nan 0.000 0.438 767 L N 0.904 122.134 121.223 0.012 0.000 2.005 767 L HA -0.175 4.163 4.340 -0.003 0.000 0.207 767 L C 1.810 178.680 176.870 -0.000 0.000 1.072 767 L CA 1.947 56.792 54.840 0.009 0.000 0.744 767 L CB -0.558 41.516 42.059 0.025 0.000 0.895 767 L HN 0.246 nan 8.230 nan 0.000 0.433 768 K N -0.457 119.945 120.400 0.003 0.000 2.063 768 K HA -0.274 4.044 4.320 -0.003 0.000 0.208 768 K C 2.028 178.624 176.600 -0.008 0.000 1.048 768 K CA 1.813 58.097 56.287 -0.004 0.000 0.928 768 K CB -0.127 32.373 32.500 -0.000 0.000 0.713 768 K HN 0.276 nan 8.250 nan 0.000 0.442 769 Q N 1.752 121.550 119.800 -0.004 0.000 2.020 769 Q HA -0.138 4.200 4.340 -0.003 0.000 0.202 769 Q C 1.588 177.582 176.000 -0.009 0.000 0.982 769 Q CA 1.826 57.626 55.803 -0.005 0.000 0.838 769 Q CB 0.002 28.739 28.738 -0.001 0.000 0.899 769 Q HN 0.151 nan 8.270 nan 0.000 0.423 770 K N -0.260 120.133 120.400 -0.011 0.000 2.097 770 K HA -0.083 4.235 4.320 -0.003 0.000 0.206 770 K C 2.102 178.687 176.600 -0.025 0.000 1.049 770 K CA 1.284 57.560 56.287 -0.017 0.000 0.933 770 K CB -0.198 32.289 32.500 -0.021 0.000 0.717 770 K HN 0.252 nan 8.250 nan 0.000 0.442 771 L N 0.907 122.113 121.223 -0.029 0.000 2.141 771 L HA -0.174 4.165 4.340 -0.003 0.000 0.209 771 L C 2.160 179.014 176.870 -0.028 0.000 1.094 771 L CA 1.166 55.983 54.840 -0.039 0.000 0.763 771 L CB -0.303 41.726 42.059 -0.051 0.000 0.908 771 L HN 0.263 nan 8.230 nan 0.000 0.437 772 E N -0.019 120.170 120.200 -0.019 0.000 2.047 772 E HA -0.175 4.174 4.350 -0.003 0.000 0.191 772 E C 1.879 178.475 176.600 -0.007 0.000 0.987 772 E CA 0.968 57.362 56.400 -0.011 0.000 0.799 772 E CB -0.077 29.619 29.700 -0.007 0.000 0.752 772 E HN 0.521 nan 8.360 nan 0.000 0.449 773 N N 1.225 119.921 118.700 -0.008 0.000 2.043 773 N HA -0.170 4.568 4.740 -0.003 0.000 0.193 773 N C 2.156 177.664 175.510 -0.004 0.000 1.037 773 N CA 1.040 54.087 53.050 -0.005 0.000 0.851 773 N CB -0.463 38.020 38.487 -0.006 0.000 1.027 773 N HN 0.151 nan 8.380 nan 0.000 0.422 774 L N 1.087 122.304 121.223 -0.010 0.000 2.012 774 L HA -0.225 4.114 4.340 -0.003 0.000 0.210 774 L C 2.695 179.566 176.870 0.002 0.000 1.073 774 L CA 1.408 56.242 54.840 -0.010 0.000 0.748 774 L CB -0.604 41.441 42.059 -0.023 0.000 0.891 774 L HN 0.231 nan 8.230 nan 0.000 0.431 775 Q N 0.161 119.964 119.800 0.004 0.000 2.170 775 Q HA -0.201 4.138 4.340 -0.003 0.000 0.203 775 Q C 2.004 178.017 176.000 0.021 0.000 0.976 775 Q CA 1.329 57.143 55.803 0.019 0.000 0.858 775 Q CB 0.075 28.820 28.738 0.013 0.000 0.907 775 Q HN 0.448 nan 8.270 nan 0.000 0.433 776 N N -0.017 118.690 118.700 0.013 0.000 2.020 776 N HA -0.192 4.546 4.740 -0.003 0.000 0.200 776 N C 0.024 175.545 175.510 0.018 0.000 1.054 776 N CA 1.297 54.355 53.050 0.014 0.000 0.874 776 N CB -0.115 38.377 38.487 0.009 0.000 1.075 776 N HN 0.223 nan 8.380 nan 0.000 0.446 777 L N 0.161 121.394 121.223 0.017 0.000 2.422 777 L HA 0.263 4.602 4.340 -0.003 0.000 0.263 777 L C -0.297 176.583 176.870 0.017 0.000 1.372 777 L CA 0.109 54.960 54.840 0.019 0.000 0.857 777 L CB 0.624 42.693 42.059 0.017 0.000 1.024 777 L HN 0.061 nan 8.230 nan 0.000 0.507 778 N N 1.258 119.970 118.700 0.019 0.000 2.403 778 N HA 0.072 4.811 4.740 -0.003 0.000 0.321 778 N C -0.855 174.664 175.510 0.014 0.000 0.721 778 N CA -0.095 52.964 53.050 0.014 0.000 0.574 778 N CB 0.168 38.658 38.487 0.006 0.000 2.381 778 N HN 0.207 nan 8.380 nan 0.000 1.152 779 L N 3.338 124.571 121.223 0.017 0.000 2.331 779 L HA 0.562 4.900 4.340 -0.003 0.000 0.278 779 L C -2.203 174.694 176.870 0.045 0.000 1.106 779 L CA -1.458 53.392 54.840 0.018 0.000 0.824 779 L CB 0.355 42.429 42.059 0.026 0.000 1.142 779 L HN 0.093 nan 8.230 nan 0.000 0.443 780 P HA -0.009 nan 4.420 nan 0.000 0.261 780 P C -0.262 177.118 177.300 0.132 0.000 1.173 780 P CA 0.285 63.429 63.100 0.072 0.000 0.760 780 P CB 0.337 32.066 31.700 0.048 0.000 0.783 781 Q N 1.018 120.888 119.800 0.115 0.000 2.500 781 Q HA -0.005 4.334 4.340 -0.003 0.000 0.213 781 Q C 0.306 176.389 176.000 0.139 0.000 0.974 781 Q CA 0.700 56.575 55.803 0.120 0.000 0.918 781 Q CB -0.036 28.751 28.738 0.082 0.000 0.980 781 Q HN 0.615 nan 8.270 nan 0.000 0.505 782 S N -0.527 115.270 115.700 0.162 0.000 2.558 782 S HA 0.591 5.060 4.470 -0.003 0.000 0.277 782 S C -1.157 173.547 174.600 0.174 0.000 1.143 782 S CA -1.143 57.123 58.200 0.110 0.000 0.865 782 S CB 0.936 64.141 63.200 0.008 0.000 1.102 782 S HN 0.267 nan 8.310 nan 0.000 0.454 783 F N -1.014 118.864 119.950 -0.120 0.000 2.693 783 F HA 0.750 5.275 4.527 -0.003 0.000 0.309 783 F C -0.798 174.890 175.800 -0.187 0.000 1.129 783 F CA -1.299 56.612 58.000 -0.148 0.000 0.948 783 F CB 1.033 39.953 39.000 -0.133 0.000 1.315 783 F HN 0.726 nan 8.300 nan 0.000 0.447 784 R N 1.412 121.824 120.500 -0.147 0.000 2.490 784 R HA 0.550 4.888 4.340 -0.003 0.000 0.280 784 R C -0.966 175.179 176.300 -0.259 0.000 1.077 784 R CA -0.923 55.011 56.100 -0.276 0.000 1.065 784 R CB 1.500 31.657 30.300 -0.237 0.000 1.003 784 R HN 0.583 nan 8.270 nan 0.000 0.470 785 V N 6.292 125.945 119.914 -0.434 0.000 2.446 785 V HA 0.005 4.124 4.120 -0.003 0.000 0.276 785 V C -1.392 174.452 176.094 -0.417 0.000 1.030 785 V CA -1.074 60.931 62.300 -0.492 0.000 1.033 785 V CB 1.082 32.508 31.823 -0.661 0.000 0.993 785 V HN 0.663 nan 8.190 nan 0.000 0.477 786 P HA -0.213 nan 4.420 nan 0.000 0.217 786 P C 1.105 178.276 177.300 -0.216 0.000 1.158 786 P CA 1.873 64.758 63.100 -0.358 0.000 0.887 786 P CB -0.047 31.180 31.700 -0.789 0.000 0.792 787 Y N -2.987 117.291 120.300 -0.037 0.000 2.466 787 Y HA 0.410 4.959 4.550 -0.002 0.000 0.272 787 Y C 0.151 176.188 175.900 0.228 0.000 1.169 787 Y CA -0.392 57.804 58.100 0.161 0.000 1.285 787 Y CB -0.588 37.962 38.460 0.151 0.000 1.078 787 Y HN -0.163 nan 8.280 nan 0.000 0.523 788 D N 1.293 121.677 120.400 -0.027 0.000 2.978 788 D HA 0.186 4.824 4.640 -0.003 0.000 0.268 788 D C -2.071 174.121 176.300 -0.180 0.000 1.252 788 D CA -2.182 51.847 54.000 0.049 0.000 0.771 788 D CB 0.912 41.773 40.800 0.101 0.000 1.361 788 D HN -0.041 nan 8.370 nan 0.000 0.558 789 P HA -0.151 nan 4.420 nan 0.000 0.217 789 P C 1.451 178.543 177.300 -0.347 0.000 1.148 789 P CA 1.164 63.906 63.100 -0.596 0.000 0.834 789 P CB 0.233 31.307 31.700 -1.043 0.000 0.783 790 G N -0.405 108.289 108.800 -0.176 0.000 2.509 790 G HA2 -0.076 3.883 3.960 -0.003 0.000 0.218 790 G HA3 -0.076 3.883 3.960 -0.003 0.000 0.218 790 G C 0.746 175.553 174.900 -0.154 0.000 1.124 790 G CA -0.127 44.907 45.100 -0.110 0.000 0.776 790 G HN 0.276 nan 8.290 nan 0.000 0.547 791 L N 1.013 122.133 121.223 -0.171 0.000 2.289 791 L HA 0.410 4.748 4.340 -0.003 0.000 0.285 791 L C -0.512 176.186 176.870 -0.286 0.000 1.049 791 L CA -0.696 54.028 54.840 -0.194 0.000 0.804 791 L CB 1.396 43.365 42.059 -0.150 0.000 1.195 791 L HN -0.144 nan 8.230 nan 0.000 0.428 792 K N 4.272 124.507 120.400 -0.275 0.000 2.316 792 K HA 0.457 4.776 4.320 -0.003 0.000 0.267 792 K C -0.584 175.776 176.600 -0.400 0.000 1.025 792 K CA -0.369 55.715 56.287 -0.339 0.000 0.896 792 K CB 1.726 34.089 32.500 -0.229 0.000 1.124 792 K HN 0.675 nan 8.250 nan 0.000 0.451 793 A N 2.866 125.264 122.820 -0.704 0.000 2.354 793 A HA 0.601 4.919 4.320 -0.003 0.000 0.269 793 A C 0.677 178.007 177.584 -0.423 0.000 1.109 793 A CA 0.033 51.640 52.037 -0.715 0.000 0.800 793 A CB 0.807 18.946 19.000 -1.434 0.000 1.045 793 A HN 0.794 nan 8.150 nan 0.000 0.489 794 G N 0.216 108.963 108.800 -0.089 0.000 3.441 794 G HA2 0.566 4.525 3.960 -0.003 0.000 0.195 794 G HA3 0.566 4.525 3.960 -0.003 0.000 0.195 794 G C 0.478 175.541 174.900 0.271 0.000 1.633 794 G CA 0.206 45.347 45.100 0.069 0.000 0.895 794 G HN 1.368 nan 8.290 nan 0.000 0.654 795 A N -0.759 122.188 122.820 0.212 0.000 2.351 795 A HA 0.629 4.947 4.320 -0.003 0.000 0.257 795 A C -0.004 177.693 177.584 0.187 0.000 1.087 795 A CA -0.354 51.806 52.037 0.206 0.000 0.798 795 A CB 0.195 19.258 19.000 0.105 0.000 1.033 795 A HN 0.457 nan 8.150 nan 0.000 0.488 796 L N 1.232 122.473 121.223 0.029 0.000 2.417 796 L HA 0.227 4.566 4.340 -0.003 0.000 0.268 796 L C -0.183 176.612 176.870 -0.127 0.000 1.158 796 L CA -0.314 54.360 54.840 -0.276 0.000 0.819 796 L CB 1.308 43.146 42.059 -0.369 0.000 1.112 796 L HN 0.428 nan 8.230 nan 0.000 0.458 797 V N 5.320 125.153 119.914 -0.135 0.000 2.184 797 V HA 0.092 4.210 4.120 -0.003 0.000 0.262 797 V C 1.310 177.379 176.094 -0.042 0.000 1.209 797 V CA -0.098 62.178 62.300 -0.040 0.000 1.070 797 V CB 0.222 32.051 31.823 0.009 0.000 1.244 797 V HN 0.678 nan 8.190 nan 0.000 0.477 798 I N 1.239 121.780 120.570 -0.048 0.000 2.290 798 I HA -0.314 3.855 4.170 -0.003 0.000 0.253 798 I C 2.214 178.328 176.117 -0.005 0.000 1.112 798 I CA 1.554 62.834 61.300 -0.034 0.000 1.377 798 I CB -0.127 37.857 38.000 -0.027 0.000 1.060 798 I HN 0.529 nan 8.210 nan 0.000 0.428 799 E N 1.167 121.369 120.200 0.005 0.000 2.077 799 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 799 E C 1.934 178.549 176.600 0.025 0.000 0.989 799 E CA 1.221 57.629 56.400 0.013 0.000 0.800 799 E CB -0.122 29.588 29.700 0.016 0.000 0.746 799 E HN 0.440 nan 8.360 nan 0.000 0.452 800 K N -0.347 120.082 120.400 0.049 0.000 2.444 800 K HA 0.138 4.456 4.320 -0.003 0.000 0.193 800 K C -0.051 176.636 176.600 0.146 0.000 1.024 800 K CA -0.162 56.181 56.287 0.092 0.000 1.077 800 K CB 0.184 32.771 32.500 0.144 0.000 0.833 800 K HN 0.093 nan 8.250 nan 0.000 0.517 801 C N 2.214 121.575 119.300 0.103 0.000 2.520 801 C HA 0.315 4.773 4.460 -0.003 0.000 0.376 801 C C 0.365 175.415 174.990 0.100 0.000 1.268 801 C CA -0.396 58.706 59.018 0.141 0.000 2.414 801 C CB -0.020 27.745 27.740 0.042 0.000 2.521 801 C HN 0.547 nan 8.230 nan 0.000 0.618 802 K N -0.208 120.276 120.400 0.141 0.000 2.842 802 K HA 0.576 4.894 4.320 -0.003 0.000 0.293 802 K C -2.209 174.467 176.600 0.126 0.000 1.068 802 K CA -0.811 55.521 56.287 0.074 0.000 0.827 802 K CB 0.480 32.964 32.500 -0.028 0.000 1.524 802 K HN 0.190 nan 8.250 nan 0.000 0.368 803 V N 1.760 121.725 119.914 0.085 0.000 2.370 803 V HA 0.322 4.441 4.120 -0.003 0.000 0.283 803 V C 0.131 176.275 176.094 0.083 0.000 1.023 803 V CA -0.722 61.646 62.300 0.113 0.000 0.857 803 V CB 1.230 33.108 31.823 0.092 0.000 0.985 803 V HN 0.772 nan 8.190 nan 0.000 0.443 804 M N 3.971 123.646 119.600 0.126 0.000 2.252 804 M HA 0.237 4.716 4.480 -0.003 0.000 0.333 804 M C 1.100 177.425 176.300 0.041 0.000 1.111 804 M CA 0.300 55.652 55.300 0.086 0.000 1.140 804 M CB 0.910 33.600 32.600 0.151 0.000 1.538 804 M HN 0.775 nan 8.290 nan 0.000 0.448 805 A N 3.517 126.341 122.820 0.006 0.000 2.346 805 A HA 0.153 4.471 4.320 -0.003 0.000 0.242 805 A C 0.535 178.117 177.584 -0.002 0.000 1.323 805 A CA 0.154 52.190 52.037 -0.002 0.000 0.940 805 A CB -0.668 18.322 19.000 -0.017 0.000 0.943 805 A HN 0.747 nan 8.150 nan 0.000 0.501 806 S N -0.935 114.769 115.700 0.007 0.000 2.646 806 S HA 0.361 4.830 4.470 -0.003 0.000 0.276 806 S C 1.127 175.711 174.600 -0.026 0.000 1.222 806 S CA -0.517 57.679 58.200 -0.007 0.000 1.014 806 S CB 0.877 64.079 63.200 0.003 0.000 0.991 806 S HN 0.379 nan 8.310 nan 0.000 0.533 807 K N 2.471 122.846 120.400 -0.043 0.000 2.152 807 K HA -0.027 4.291 4.320 -0.003 0.000 0.206 807 K C 1.499 178.055 176.600 -0.073 0.000 1.048 807 K CA 1.577 57.827 56.287 -0.061 0.000 0.933 807 K CB -0.095 32.366 32.500 -0.066 0.000 0.721 807 K HN 0.543 nan 8.250 nan 0.000 0.447 808 K N 0.723 121.077 120.400 -0.076 0.000 2.444 808 K HA 0.110 4.428 4.320 -0.003 0.000 0.193 808 K C -0.449 176.086 176.600 -0.109 0.000 1.024 808 K CA -0.001 56.215 56.287 -0.118 0.000 1.077 808 K CB 0.157 32.567 32.500 -0.150 0.000 0.833 808 K HN 0.025 nan 8.250 nan 0.000 0.517 809 K N 0.739 121.125 120.400 -0.023 0.000 3.451 809 K HA -0.147 4.171 4.320 -0.003 0.000 0.273 809 K C -2.783 173.917 176.600 0.166 0.000 0.944 809 K CA -0.119 56.210 56.287 0.070 0.000 0.734 809 K CB -1.327 31.232 32.500 0.099 0.000 1.437 809 K HN 0.171 nan 8.250 nan 0.000 0.454 810 P HA 0.076 nan 4.420 nan 0.000 0.275 810 P C 0.087 177.559 177.300 0.288 0.000 1.228 810 P CA -0.302 62.902 63.100 0.174 0.000 0.786 810 P CB 0.624 32.379 31.700 0.090 0.000 0.927 811 L N 2.592 124.037 121.223 0.371 0.000 2.360 811 L HA 0.241 4.580 4.340 -0.003 0.000 0.276 811 L C 0.312 177.395 176.870 0.355 0.000 1.121 811 L CA -0.206 54.840 54.840 0.343 0.000 0.845 811 L CB 0.341 42.607 42.059 0.345 0.000 1.143 811 L HN 0.439 nan 8.230 nan 0.000 0.452 812 W N 6.962 128.342 121.300 0.134 0.000 2.291 812 W HA 0.534 5.192 4.660 -0.002 0.000 0.312 812 W C -1.793 174.785 176.519 0.099 0.000 1.061 812 W CA -0.758 56.657 57.345 0.117 0.000 1.296 812 W CB 0.833 30.342 29.460 0.081 0.000 1.223 812 W HN 0.375 nan 8.180 nan 0.000 0.421 813 L N 5.431 126.741 121.223 0.144 0.000 2.342 813 L HA 0.515 4.854 4.340 -0.003 0.000 0.271 813 L C -0.107 176.785 176.870 0.037 0.000 1.008 813 L CA -0.852 54.045 54.840 0.096 0.000 0.818 813 L CB 2.408 44.534 42.059 0.112 0.000 1.296 813 L HN 0.267 nan 8.230 nan 0.000 0.427 814 E N 1.721 121.903 120.200 -0.031 0.000 2.256 814 E HA 0.571 4.920 4.350 -0.003 0.000 0.268 814 E C -1.649 174.914 176.600 -0.062 0.000 0.877 814 E CA -0.516 55.922 56.400 0.064 0.000 0.757 814 E CB 2.569 32.351 29.700 0.137 0.000 1.183 814 E HN 0.215 nan 8.360 nan 0.000 0.418 815 F N 0.873 120.860 119.950 0.062 0.000 2.598 815 F HA 0.467 4.993 4.527 -0.003 0.000 0.327 815 F C 0.529 176.341 175.800 0.020 0.000 1.057 815 F CA -0.934 57.096 58.000 0.050 0.000 0.957 815 F CB 1.237 40.262 39.000 0.042 0.000 1.278 815 F HN 0.038 nan 8.300 nan 0.000 0.484 816 K N 0.139 120.675 120.400 0.227 0.000 2.095 816 K HA 0.417 4.735 4.320 -0.003 0.000 0.252 816 K C -0.923 175.714 176.600 0.061 0.000 0.977 816 K CA -0.728 55.626 56.287 0.112 0.000 0.900 816 K CB 1.777 34.326 32.500 0.081 0.000 1.060 816 K HN 0.677 nan 8.250 nan 0.000 0.449 817 C N 1.830 121.138 119.300 0.014 0.000 2.585 817 C HA 0.259 4.718 4.460 -0.003 0.000 0.406 817 C C 1.654 176.617 174.990 -0.044 0.000 1.312 817 C CA -0.215 58.778 59.018 -0.042 0.000 1.924 817 C CB -0.686 27.026 27.740 -0.047 0.000 2.578 817 C HN 0.902 nan 8.230 nan 0.000 0.580 818 A N 3.583 126.355 122.820 -0.080 0.000 2.119 818 A HA 0.040 4.359 4.320 -0.003 0.000 0.217 818 A C 0.968 178.516 177.584 -0.059 0.000 1.153 818 A CA 0.884 52.884 52.037 -0.061 0.000 0.692 818 A CB -0.279 18.669 19.000 -0.086 0.000 0.799 818 A HN 0.918 nan 8.150 nan 0.000 0.458 819 D N 0.051 120.405 120.400 -0.077 0.000 2.316 819 D HA 0.205 4.843 4.640 -0.003 0.000 0.245 819 D C -1.493 174.771 176.300 -0.060 0.000 1.171 819 D CA -1.912 52.041 54.000 -0.078 0.000 0.856 819 D CB 1.429 42.162 40.800 -0.110 0.000 1.090 819 D HN 0.106 nan 8.370 nan 0.000 0.476 820 P HA -0.100 nan 4.420 nan 0.000 0.223 820 P C 1.035 178.312 177.300 -0.039 0.000 1.151 820 P CA 0.844 63.926 63.100 -0.030 0.000 0.787 820 P CB -0.003 31.687 31.700 -0.016 0.000 0.788 821 T N -2.953 111.564 114.554 -0.061 0.000 3.160 821 T HA 0.260 4.608 4.350 -0.003 0.000 0.257 821 T C 1.041 175.671 174.700 -0.117 0.000 1.147 821 T CA -0.010 62.040 62.100 -0.083 0.000 1.064 821 T CB -0.817 67.988 68.868 -0.105 0.000 0.949 821 T HN 0.118 nan 8.240 nan 0.000 0.526 822 A N 1.369 124.131 122.820 -0.097 0.000 2.548 822 A HA 0.443 4.761 4.320 -0.003 0.000 0.247 822 A C 0.656 178.186 177.584 -0.090 0.000 1.067 822 A CA -0.381 51.598 52.037 -0.097 0.000 0.757 822 A CB -0.272 18.687 19.000 -0.068 0.000 0.996 822 A HN 0.443 nan 8.150 nan 0.000 0.504 823 L N 2.886 124.038 121.223 -0.118 0.000 2.939 823 L HA 0.276 4.615 4.340 -0.003 0.000 0.239 823 L C 0.776 177.602 176.870 -0.074 0.000 1.325 823 L CA 1.073 55.839 54.840 -0.124 0.000 1.170 823 L CB -0.928 40.984 42.059 -0.246 0.000 1.538 823 L HN 0.748 nan 8.230 nan 0.000 0.452 824 S N -1.414 114.261 115.700 -0.040 0.000 2.597 824 S HA 0.327 4.796 4.470 -0.003 0.000 0.274 824 S C -0.025 174.575 174.600 -0.001 0.000 1.132 824 S CA -0.697 57.495 58.200 -0.014 0.000 0.835 824 S CB 0.786 63.985 63.200 -0.002 0.000 1.092 824 S HN 0.195 nan 8.310 nan 0.000 0.457 825 N N 1.175 119.883 118.700 0.013 0.000 2.205 825 N HA 0.152 4.890 4.740 -0.003 0.000 0.201 825 N C -0.466 175.065 175.510 0.035 0.000 1.128 825 N CA 0.027 53.090 53.050 0.021 0.000 0.867 825 N CB 0.414 38.915 38.487 0.023 0.000 0.996 825 N HN 0.634 nan 8.380 nan 0.000 0.503 826 E N 1.380 121.603 120.200 0.038 0.000 2.442 826 E HA -0.015 4.333 4.350 -0.003 0.000 0.262 826 E C 0.640 177.277 176.600 0.061 0.000 1.004 826 E CA 0.380 56.813 56.400 0.054 0.000 0.928 826 E CB 0.667 30.402 29.700 0.057 0.000 0.937 826 E HN 0.204 nan 8.360 nan 0.000 0.446 827 T N -0.430 114.172 114.554 0.079 0.000 2.788 827 T HA 0.403 4.752 4.350 -0.003 0.000 0.280 827 T C 0.387 175.145 174.700 0.098 0.000 0.984 827 T CA -0.684 61.473 62.100 0.096 0.000 0.972 827 T CB 0.496 69.434 68.868 0.117 0.000 1.039 827 T HN 0.293 nan 8.240 nan 0.000 0.530 828 I N 1.421 122.066 120.570 0.125 0.000 2.307 828 I HA 0.403 4.572 4.170 -0.003 0.000 0.289 828 I C 0.966 177.182 176.117 0.164 0.000 1.021 828 I CA -0.761 60.606 61.300 0.113 0.000 1.224 828 I CB 0.873 38.903 38.000 0.049 0.000 1.376 828 I HN 0.899 nan 8.210 nan 0.000 0.470 829 G N 7.837 116.686 108.800 0.082 0.000 2.333 829 G HA2 0.667 4.626 3.960 -0.003 0.000 0.290 829 G HA3 0.667 4.626 3.960 -0.003 0.000 0.290 829 G C -0.535 174.360 174.900 -0.008 0.000 1.150 829 G CA -0.261 44.816 45.100 -0.037 0.000 0.895 829 G HN 0.528 nan 8.290 nan 0.000 0.444 830 I N 3.105 123.707 120.570 0.052 0.000 2.533 830 I HA 0.273 4.441 4.170 -0.003 0.000 0.290 830 I C -0.701 175.475 176.117 0.098 0.000 1.056 830 I CA -0.986 60.410 61.300 0.161 0.000 1.057 830 I CB 2.341 40.542 38.000 0.334 0.000 1.240 830 I HN 0.137 nan 8.210 nan 0.000 0.423 831 I N 5.614 126.227 120.570 0.072 0.000 2.331 831 I HA 0.209 4.377 4.170 -0.003 0.000 0.292 831 I C -0.499 175.747 176.117 0.216 0.000 0.998 831 I CA -0.314 61.048 61.300 0.103 0.000 1.267 831 I CB 0.998 39.017 38.000 0.031 0.000 1.386 831 I HN 0.429 nan 8.210 nan 0.000 0.476 832 F N 7.415 127.456 119.950 0.152 0.000 2.313 832 F HA 0.324 4.850 4.527 -0.002 0.000 0.369 832 F C 0.440 176.356 175.800 0.193 0.000 1.109 832 F CA -0.551 57.549 58.000 0.166 0.000 1.132 832 F CB 0.394 39.495 39.000 0.169 0.000 1.291 832 F HN 0.383 nan 8.300 nan 0.000 0.496 833 K N 6.612 126.835 120.400 -0.295 0.000 2.172 833 K HA 0.258 4.577 4.320 -0.003 0.000 0.276 833 K C -0.871 175.525 176.600 -0.340 0.000 1.013 833 K CA -0.482 55.672 56.287 -0.222 0.000 0.913 833 K CB 0.537 32.946 32.500 -0.152 0.000 1.055 833 K HN 0.784 nan 8.250 nan 0.000 0.461 834 H N 0.817 119.781 119.070 -0.176 0.000 2.865 834 H HA 0.364 4.919 4.556 -0.002 0.000 0.372 834 H C 0.423 175.727 175.328 -0.040 0.000 1.173 834 H CA -0.165 55.815 56.048 -0.113 0.000 1.147 834 H CB 1.722 31.506 29.762 0.037 0.000 1.805 834 H HN 0.770 nan 8.280 nan 0.000 0.553 835 G N 1.238 110.049 108.800 0.018 0.000 2.143 835 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.248 835 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.248 835 G C -0.846 174.014 174.900 -0.065 0.000 0.991 835 G CA 0.506 45.598 45.100 -0.013 0.000 0.689 835 G HN 0.813 nan 8.290 nan 0.000 0.522 836 D N -0.439 119.919 120.400 -0.070 0.000 2.990 836 D HA 0.386 5.025 4.640 -0.003 0.000 0.227 836 D C -1.326 174.962 176.300 -0.019 0.000 1.249 836 D CA -0.474 53.485 54.000 -0.068 0.000 0.891 836 D CB 1.373 42.116 40.800 -0.096 0.000 1.647 836 D HN 0.015 nan 8.370 nan 0.000 0.530 837 D N 3.072 123.486 120.400 0.023 0.000 2.338 837 D HA 0.054 4.692 4.640 -0.003 0.000 0.255 837 D C 0.393 176.768 176.300 0.124 0.000 1.237 837 D CA -0.191 53.865 54.000 0.094 0.000 0.883 837 D CB 0.919 41.823 40.800 0.172 0.000 1.087 837 D HN 0.265 nan 8.370 nan 0.000 0.485 838 L N 4.532 125.800 121.223 0.075 0.000 2.653 838 L HA 0.143 4.481 4.340 -0.003 0.000 0.232 838 L C 2.039 178.945 176.870 0.060 0.000 1.169 838 L CA 0.226 55.113 54.840 0.079 0.000 0.951 838 L CB -0.435 41.657 42.059 0.055 0.000 1.181 838 L HN 0.350 nan 8.230 nan 0.000 0.460 839 R N -0.541 119.983 120.500 0.040 0.000 2.115 839 R HA -0.135 4.204 4.340 -0.003 0.000 0.230 839 R C 1.952 178.212 176.300 -0.067 0.000 1.111 839 R CA 1.025 57.106 56.100 -0.031 0.000 0.976 839 R CB 0.121 30.387 30.300 -0.058 0.000 0.870 839 R HN 0.483 nan 8.270 nan 0.000 0.445 840 Q N 0.279 120.055 119.800 -0.039 0.000 2.123 840 Q HA -0.137 4.201 4.340 -0.003 0.000 0.199 840 Q C 1.247 177.224 176.000 -0.039 0.000 0.966 840 Q CA 1.473 57.233 55.803 -0.071 0.000 0.845 840 Q CB 0.089 28.789 28.738 -0.063 0.000 0.907 840 Q HN 0.340 nan 8.270 nan 0.000 0.439 841 D N 0.398 120.831 120.400 0.056 0.000 2.117 841 D HA -0.161 4.477 4.640 -0.003 0.000 0.197 841 D C 1.813 178.085 176.300 -0.045 0.000 0.987 841 D CA 1.210 55.264 54.000 0.089 0.000 0.829 841 D CB -0.034 40.898 40.800 0.221 0.000 0.961 841 D HN 0.165 nan 8.370 nan 0.000 0.460 842 M N -0.314 119.257 119.600 -0.047 0.000 2.108 842 M HA -0.140 4.338 4.480 -0.003 0.000 0.261 842 M C 1.759 177.953 176.300 -0.176 0.000 1.066 842 M CA 0.812 56.056 55.300 -0.094 0.000 1.107 842 M CB -0.145 32.401 32.600 -0.089 0.000 1.356 842 M HN 0.099 nan 8.290 nan 0.000 0.406 843 L N 0.467 121.575 121.223 -0.190 0.000 2.027 843 L HA -0.153 4.186 4.340 -0.003 0.000 0.206 843 L C 2.257 178.992 176.870 -0.225 0.000 1.074 843 L CA 1.592 56.304 54.840 -0.213 0.000 0.745 843 L CB -0.779 41.163 42.059 -0.196 0.000 0.898 843 L HN 0.209 nan 8.230 nan 0.000 0.433 844 I N -1.126 119.279 120.570 -0.274 0.000 2.179 844 I HA -0.270 3.898 4.170 -0.003 0.000 0.242 844 I C 2.409 178.291 176.117 -0.391 0.000 1.088 844 I CA 1.044 62.103 61.300 -0.402 0.000 1.357 844 I CB -1.167 36.384 38.000 -0.748 0.000 1.051 844 I HN 0.191 nan 8.210 nan 0.000 0.409 845 L N 0.320 121.331 121.223 -0.353 0.000 2.042 845 L HA -0.215 4.123 4.340 -0.003 0.000 0.210 845 L C 2.566 179.317 176.870 -0.198 0.000 1.076 845 L CA 1.677 56.362 54.840 -0.259 0.000 0.749 845 L CB -1.504 40.407 42.059 -0.247 0.000 0.893 845 L HN 0.300 nan 8.230 nan 0.000 0.432 846 Q N -0.503 119.183 119.800 -0.191 0.000 2.119 846 Q HA -0.123 4.215 4.340 -0.003 0.000 0.201 846 Q C 2.112 177.999 176.000 -0.189 0.000 0.972 846 Q CA 1.393 57.093 55.803 -0.172 0.000 0.847 846 Q CB -0.223 28.404 28.738 -0.185 0.000 0.903 846 Q HN 0.356 nan 8.270 nan 0.000 0.433 847 I N -0.238 120.219 120.570 -0.189 0.000 2.361 847 I HA -0.221 3.948 4.170 -0.003 0.000 0.251 847 I C 1.593 177.584 176.117 -0.210 0.000 1.133 847 I CA 0.723 61.918 61.300 -0.176 0.000 1.413 847 I CB -0.383 37.540 38.000 -0.129 0.000 1.073 847 I HN 0.218 nan 8.210 nan 0.000 0.424 848 L N -0.155 120.947 121.223 -0.201 0.000 2.056 848 L HA -0.144 4.194 4.340 -0.003 0.000 0.207 848 L C 2.536 179.286 176.870 -0.200 0.000 1.078 848 L CA 1.665 56.388 54.840 -0.195 0.000 0.749 848 L CB -0.865 41.115 42.059 -0.130 0.000 0.901 848 L HN 0.178 nan 8.230 nan 0.000 0.433 849 R N -0.734 119.662 120.500 -0.173 0.000 2.092 849 R HA -0.078 4.260 4.340 -0.003 0.000 0.231 849 R C 2.288 178.429 176.300 -0.266 0.000 1.119 849 R CA 1.173 57.180 56.100 -0.154 0.000 0.970 849 R CB -0.411 29.839 30.300 -0.083 0.000 0.864 849 R HN 0.322 nan 8.270 nan 0.000 0.440 850 I N 0.705 121.085 120.570 -0.317 0.000 2.226 850 I HA -0.292 3.877 4.170 -0.003 0.000 0.245 850 I C 2.406 178.265 176.117 -0.430 0.000 1.100 850 I CA 1.382 62.431 61.300 -0.418 0.000 1.374 850 I CB -0.175 37.608 38.000 -0.362 0.000 1.057 850 I HN 0.193 nan 8.210 nan 0.000 0.413 851 M N -0.033 119.292 119.600 -0.459 0.000 2.149 851 M HA -0.231 4.247 4.480 -0.003 0.000 0.261 851 M C 2.104 177.987 176.300 -0.694 0.000 1.064 851 M CA 1.804 56.653 55.300 -0.752 0.000 1.102 851 M CB -0.508 31.546 32.600 -0.909 0.000 1.369 851 M HN 0.206 nan 8.290 nan 0.000 0.408 852 E N 0.221 120.227 120.200 -0.324 0.000 2.077 852 E HA -0.177 4.172 4.350 -0.003 0.000 0.193 852 E C 2.134 178.683 176.600 -0.084 0.000 0.989 852 E CA 1.813 58.185 56.400 -0.047 0.000 0.800 852 E CB -0.143 29.537 29.700 -0.033 0.000 0.746 852 E HN 0.568 nan 8.360 nan 0.000 0.452 853 S N 0.721 116.262 115.700 -0.265 0.000 2.387 853 S HA -0.091 4.378 4.470 -0.003 0.000 0.226 853 S C 2.070 176.540 174.600 -0.218 0.000 1.026 853 S CA 0.532 58.560 58.200 -0.286 0.000 0.972 853 S CB -0.359 62.463 63.200 -0.630 0.000 0.814 853 S HN 0.165 nan 8.310 nan 0.000 0.477 854 I N -0.212 120.158 120.570 -0.334 0.000 2.252 854 I HA -0.111 4.057 4.170 -0.003 0.000 0.245 854 I C 2.354 178.364 176.117 -0.178 0.000 1.102 854 I CA 1.147 62.196 61.300 -0.418 0.000 1.385 854 I CB -0.327 37.303 38.000 -0.618 0.000 1.064 854 I HN 0.380 nan 8.210 nan 0.000 0.414 855 W N 1.188 122.418 121.300 -0.117 0.000 2.467 855 W HA -0.118 4.541 4.660 -0.003 0.000 0.275 855 W C 2.452 178.985 176.519 0.024 0.000 1.239 855 W CA 0.860 58.177 57.345 -0.047 0.000 1.266 855 W CB -0.728 28.693 29.460 -0.065 0.000 1.112 855 W HN 0.312 nan 8.180 nan 0.000 0.576 856 E N 0.291 120.630 120.200 0.231 0.000 2.072 856 E HA -0.206 4.142 4.350 -0.003 0.000 0.191 856 E C 2.189 178.863 176.600 0.123 0.000 0.985 856 E CA 2.340 58.874 56.400 0.223 0.000 0.801 856 E CB -0.087 29.705 29.700 0.153 0.000 0.750 856 E HN 0.149 nan 8.360 nan 0.000 0.452 857 T N -0.891 113.707 114.554 0.074 0.000 2.867 857 T HA -0.088 4.261 4.350 -0.003 0.000 0.268 857 T C 1.333 176.098 174.700 0.107 0.000 1.057 857 T CA 0.939 63.078 62.100 0.065 0.000 1.136 857 T CB -0.073 68.828 68.868 0.056 0.000 0.874 857 T HN 0.043 nan 8.240 nan 0.000 0.466 858 E N 1.436 121.733 120.200 0.162 0.000 2.445 858 E HA 0.207 4.556 4.350 -0.003 0.000 0.189 858 E C 0.264 176.957 176.600 0.155 0.000 1.069 858 E CA 0.043 56.556 56.400 0.188 0.000 0.871 858 E CB -0.162 29.700 29.700 0.270 0.000 0.991 858 E HN 0.585 nan 8.360 nan 0.000 0.481 859 S N 0.333 116.117 115.700 0.141 0.000 3.527 859 S HA -0.188 4.281 4.470 -0.003 0.000 0.409 859 S C -0.127 174.613 174.600 0.233 0.000 0.900 859 S CA 0.447 58.728 58.200 0.135 0.000 1.320 859 S CB -1.451 61.778 63.200 0.047 0.000 0.915 859 S HN 0.297 nan 8.310 nan 0.000 0.575 860 L N 0.917 122.336 121.223 0.327 0.000 2.505 860 L HA 0.574 4.912 4.340 -0.003 0.000 0.259 860 L C -0.857 175.993 176.870 -0.034 0.000 0.952 860 L CA -0.724 54.194 54.840 0.130 0.000 0.840 860 L CB 1.975 44.004 42.059 -0.049 0.000 1.358 860 L HN 0.178 nan 8.230 nan 0.000 0.409 861 D N 2.926 123.125 120.400 -0.335 0.000 2.454 861 D HA 0.263 4.901 4.640 -0.003 0.000 0.247 861 D C 0.092 176.160 176.300 -0.386 0.000 1.129 861 D CA -0.350 53.312 54.000 -0.562 0.000 0.877 861 D CB 1.677 41.873 40.800 -1.007 0.000 1.082 861 D HN 0.297 nan 8.370 nan 0.000 0.537 862 L N 2.575 123.599 121.223 -0.332 0.000 2.611 862 L HA 0.102 4.440 4.340 -0.003 0.000 0.229 862 L C 0.884 177.665 176.870 -0.148 0.000 1.137 862 L CA 0.187 54.833 54.840 -0.323 0.000 0.901 862 L CB -1.256 40.354 42.059 -0.748 0.000 1.098 862 L HN 0.632 nan 8.230 nan 0.000 0.456 863 C N 0.168 119.376 119.300 -0.153 0.000 4.274 863 C HA -0.203 4.256 4.460 -0.003 0.000 0.297 863 C C 1.460 176.468 174.990 0.030 0.000 1.446 863 C CA -0.344 58.628 59.018 -0.077 0.000 2.016 863 C CB -3.203 24.505 27.740 -0.053 0.000 1.273 863 C HN 0.319 nan 8.230 nan 0.000 0.782 864 L N -0.583 120.644 121.223 0.006 0.000 2.473 864 L HA 0.324 4.662 4.340 -0.003 0.000 0.265 864 L C 0.510 177.474 176.870 0.157 0.000 1.243 864 L CA 0.004 54.869 54.840 0.042 0.000 0.822 864 L CB 0.135 42.125 42.059 -0.115 0.000 1.101 864 L HN 0.210 nan 8.230 nan 0.000 0.507 865 L N 2.830 124.246 121.223 0.322 0.000 2.480 865 L HA 0.395 4.734 4.340 -0.003 0.000 0.253 865 L C -2.369 174.596 176.870 0.159 0.000 1.324 865 L CA -1.298 53.618 54.840 0.126 0.000 0.916 865 L CB 0.757 42.745 42.059 -0.118 0.000 1.160 865 L HN 0.198 nan 8.230 nan 0.000 0.503 866 P HA 0.183 nan 4.420 nan 0.000 0.252 866 P C -0.926 176.287 177.300 -0.146 0.000 1.727 866 P CA -0.081 62.982 63.100 -0.060 0.000 1.134 866 P CB -0.575 31.090 31.700 -0.058 0.000 1.876 867 Y N 0.321 120.622 120.300 0.000 0.000 2.459 867 Y HA 0.407 4.955 4.550 -0.003 0.000 0.349 867 Y C 1.160 176.996 175.900 -0.106 0.000 1.266 867 Y CA -1.203 56.846 58.100 -0.086 0.000 1.483 867 Y CB -0.407 37.979 38.460 -0.124 0.000 1.362 867 Y HN 0.273 nan 8.280 nan 0.000 0.628 868 G N -0.073 108.652 108.800 -0.125 0.000 2.365 868 G HA2 0.310 4.269 3.960 -0.003 0.000 0.249 868 G HA3 0.310 4.269 3.960 -0.003 0.000 0.249 868 G C -1.256 173.444 174.900 -0.333 0.000 1.288 868 G CA -0.175 44.703 45.100 -0.372 0.000 0.887 868 G HN 1.034 nan 8.290 nan 0.000 0.524 869 C N 4.933 124.181 119.300 -0.087 0.000 2.833 869 C HA 0.574 5.032 4.460 -0.003 0.000 0.383 869 C C -1.148 173.918 174.990 0.126 0.000 1.058 869 C CA -0.946 58.094 59.018 0.036 0.000 1.259 869 C CB -0.328 27.443 27.740 0.051 0.000 1.726 869 C HN 0.594 nan 8.230 nan 0.000 0.484 870 I N 4.734 125.394 120.570 0.150 0.000 2.534 870 I HA 0.317 4.485 4.170 -0.003 0.000 0.288 870 I C 0.423 176.579 176.117 0.066 0.000 1.077 870 I CA 0.087 61.471 61.300 0.140 0.000 1.051 870 I CB 1.908 39.959 38.000 0.085 0.000 1.234 870 I HN 0.691 nan 8.210 nan 0.000 0.425 871 S N 3.307 119.065 115.700 0.097 0.000 2.531 871 S HA 0.223 4.691 4.470 -0.003 0.000 0.279 871 S C 1.062 175.730 174.600 0.113 0.000 1.305 871 S CA 0.148 58.394 58.200 0.077 0.000 1.058 871 S CB 0.263 63.511 63.200 0.079 0.000 0.899 871 S HN 0.797 nan 8.310 nan 0.000 0.493 872 T N 1.474 116.086 114.554 0.096 0.000 3.040 872 T HA 0.574 4.923 4.350 -0.003 0.000 0.266 872 T C 0.724 175.604 174.700 0.300 0.000 1.005 872 T CA 0.211 62.444 62.100 0.221 0.000 0.906 872 T CB 0.243 69.154 68.868 0.072 0.000 1.082 872 T HN 0.932 nan 8.240 nan 0.000 0.531 873 G N 0.493 109.400 108.800 0.177 0.000 2.335 873 G HA2 0.346 4.304 3.960 -0.003 0.000 0.291 873 G HA3 0.346 4.304 3.960 -0.003 0.000 0.291 873 G C -2.079 172.882 174.900 0.101 0.000 1.261 873 G CA -0.727 44.463 45.100 0.149 0.000 0.871 873 G HN 0.021 nan 8.290 nan 0.000 0.491 874 D N 1.540 121.998 120.400 0.098 0.000 2.356 874 D HA 0.220 4.859 4.640 -0.003 0.000 0.272 874 D C 0.606 176.950 176.300 0.074 0.000 1.337 874 D CA 0.338 54.388 54.000 0.083 0.000 0.970 874 D CB 0.038 40.890 40.800 0.087 0.000 1.092 874 D HN 0.450 nan 8.370 nan 0.000 0.516 875 K N 2.079 122.513 120.400 0.056 0.000 3.069 875 K HA -0.192 4.126 4.320 -0.003 0.000 0.267 875 K C 0.200 176.803 176.600 0.005 0.000 1.082 875 K CA 0.738 57.045 56.287 0.034 0.000 0.782 875 K CB -2.261 30.264 32.500 0.042 0.000 1.230 875 K HN 0.713 nan 8.250 nan 0.000 0.488 876 I N -4.772 115.790 120.570 -0.014 0.000 2.865 876 I HA 0.878 5.047 4.170 -0.003 0.000 0.302 876 I C 0.167 176.193 176.117 -0.153 0.000 1.140 876 I CA -0.726 60.492 61.300 -0.136 0.000 1.021 876 I CB 2.917 40.877 38.000 -0.068 0.000 1.233 876 I HN 0.028 nan 8.210 nan 0.000 0.427 877 G N 3.854 112.458 108.800 -0.327 0.000 2.451 877 G HA2 0.518 4.476 3.960 -0.003 0.000 0.292 877 G HA3 0.518 4.476 3.960 -0.003 0.000 0.292 877 G C -1.809 172.990 174.900 -0.168 0.000 1.427 877 G CA -1.038 43.963 45.100 -0.165 0.000 0.792 877 G HN 0.607 nan 8.290 nan 0.000 0.498 878 M N 0.655 120.259 119.600 0.007 0.000 2.383 878 M HA 0.579 5.057 4.480 -0.003 0.000 0.325 878 M C -0.806 175.600 176.300 0.177 0.000 1.092 878 M CA -0.533 54.855 55.300 0.147 0.000 0.961 878 M CB 2.255 34.998 32.600 0.238 0.000 1.672 878 M HN 0.300 nan 8.290 nan 0.000 0.438 879 I N 1.324 121.973 120.570 0.133 0.000 2.498 879 I HA 0.308 4.476 4.170 -0.003 0.000 0.290 879 I C -0.045 176.023 176.117 -0.082 0.000 1.032 879 I CA -0.770 60.541 61.300 0.017 0.000 1.073 879 I CB 2.105 40.130 38.000 0.043 0.000 1.251 879 I HN 0.697 nan 8.210 nan 0.000 0.426 880 E N 6.126 126.104 120.200 -0.370 0.000 2.376 880 E HA 0.198 4.547 4.350 -0.003 0.000 0.266 880 E C -0.889 175.608 176.600 -0.172 0.000 1.009 880 E CA -0.231 55.979 56.400 -0.317 0.000 0.902 880 E CB 0.845 30.273 29.700 -0.453 0.000 0.972 880 E HN 0.440 nan 8.360 nan 0.000 0.439 881 I N 5.401 125.886 120.570 -0.142 0.000 2.301 881 I HA 0.078 4.247 4.170 -0.003 0.000 0.292 881 I C -0.254 175.800 176.117 -0.105 0.000 1.046 881 I CA -0.724 60.442 61.300 -0.223 0.000 1.282 881 I CB 1.292 39.025 38.000 -0.446 0.000 1.409 881 I HN 0.330 nan 8.210 nan 0.000 0.484 882 V N 7.384 127.259 119.914 -0.066 0.000 2.572 882 V HA 0.042 4.161 4.120 -0.003 0.000 0.291 882 V C 0.569 176.712 176.094 0.082 0.000 1.039 882 V CA -0.256 62.043 62.300 -0.001 0.000 1.055 882 V CB 0.789 32.616 31.823 0.008 0.000 0.969 882 V HN 0.624 nan 8.190 nan 0.000 0.482 883 K N 2.924 123.375 120.400 0.084 0.000 2.202 883 K HA 0.195 4.513 4.320 -0.003 0.000 0.264 883 K C 0.275 176.974 176.600 0.164 0.000 1.010 883 K CA -0.123 56.239 56.287 0.124 0.000 0.940 883 K CB 0.185 32.746 32.500 0.101 0.000 0.983 883 K HN 0.769 nan 8.250 nan 0.000 0.475 884 D N -0.108 120.402 120.400 0.183 0.000 2.740 884 D HA -0.227 4.411 4.640 -0.003 0.000 0.231 884 D C -1.097 175.369 176.300 0.277 0.000 1.194 884 D CA 1.301 55.425 54.000 0.207 0.000 0.673 884 D CB -1.035 39.863 40.800 0.162 0.000 0.995 884 D HN 0.526 nan 8.370 nan 0.000 0.411 885 A N -0.382 122.606 122.820 0.281 0.000 2.539 885 A HA 0.854 5.173 4.320 -0.003 0.000 0.296 885 A C 0.026 177.713 177.584 0.172 0.000 1.073 885 A CA -0.401 51.800 52.037 0.274 0.000 0.700 885 A CB 2.141 21.343 19.000 0.337 0.000 1.296 885 A HN 0.041 nan 8.150 nan 0.000 0.405 886 T N 0.121 114.682 114.554 0.012 0.000 2.816 886 T HA 0.577 4.925 4.350 -0.003 0.000 0.299 886 T C -0.288 174.259 174.700 -0.254 0.000 1.230 886 T CA -0.473 61.573 62.100 -0.090 0.000 1.007 886 T CB 1.514 70.329 68.868 -0.088 0.000 1.289 886 T HN 0.636 nan 8.240 nan 0.000 0.508 887 T N 1.943 116.358 114.554 -0.231 0.000 2.910 887 T HA 0.239 4.588 4.350 -0.003 0.000 0.293 887 T C 1.603 176.122 174.700 -0.302 0.000 1.015 887 T CA -0.632 61.303 62.100 -0.275 0.000 1.094 887 T CB 0.278 69.022 68.868 -0.207 0.000 0.968 887 T HN 0.361 nan 8.240 nan 0.000 0.521 888 I N 1.902 122.299 120.570 -0.288 0.000 2.226 888 I HA -0.130 4.039 4.170 -0.003 0.000 0.245 888 I C 2.698 178.686 176.117 -0.214 0.000 1.100 888 I CA 1.266 62.432 61.300 -0.222 0.000 1.374 888 I CB -1.800 36.147 38.000 -0.089 0.000 1.057 888 I HN 0.748 nan 8.210 nan 0.000 0.413 889 A N 0.822 123.503 122.820 -0.233 0.000 1.933 889 A HA -0.192 4.126 4.320 -0.003 0.000 0.218 889 A C 2.334 179.859 177.584 -0.097 0.000 1.175 889 A CA 1.343 53.272 52.037 -0.181 0.000 0.628 889 A CB -0.379 18.519 19.000 -0.170 0.000 0.814 889 A HN 0.277 nan 8.150 nan 0.000 0.444 890 K N -0.215 120.112 120.400 -0.120 0.000 2.026 890 K HA -0.084 4.234 4.320 -0.003 0.000 0.208 890 K C 1.882 178.424 176.600 -0.096 0.000 1.048 890 K CA 1.480 57.716 56.287 -0.086 0.000 0.929 890 K CB -0.581 31.859 32.500 -0.101 0.000 0.713 890 K HN 0.596 nan 8.250 nan 0.000 0.439 891 I N 1.576 122.029 120.570 -0.194 0.000 2.264 891 I HA -0.313 3.856 4.170 -0.003 0.000 0.248 891 I C 2.662 178.728 176.117 -0.086 0.000 1.111 891 I CA 1.232 62.406 61.300 -0.210 0.000 1.382 891 I CB -0.246 37.496 38.000 -0.430 0.000 1.060 891 I HN 0.217 nan 8.210 nan 0.000 0.418 892 Q N 0.412 120.163 119.800 -0.082 0.000 2.046 892 Q HA -0.232 4.107 4.340 -0.003 0.000 0.200 892 Q C 2.206 178.209 176.000 0.005 0.000 0.975 892 Q CA 1.584 57.366 55.803 -0.035 0.000 0.836 892 Q CB -0.373 28.339 28.738 -0.044 0.000 0.896 892 Q HN 0.592 nan 8.270 nan 0.000 0.428 893 Q N -0.046 119.769 119.800 0.025 0.000 2.181 893 Q HA -0.117 4.221 4.340 -0.003 0.000 0.205 893 Q C 2.204 178.215 176.000 0.018 0.000 0.980 893 Q CA 1.412 57.240 55.803 0.041 0.000 0.862 893 Q CB -0.012 28.761 28.738 0.058 0.000 0.905 893 Q HN 0.191 nan 8.270 nan 0.000 0.429 894 S N -0.412 115.296 115.700 0.014 0.000 2.368 894 S HA -0.133 4.335 4.470 -0.003 0.000 0.225 894 S C 1.901 176.506 174.600 0.008 0.000 1.030 894 S CA 1.579 59.793 58.200 0.023 0.000 0.999 894 S CB -0.178 63.053 63.200 0.053 0.000 0.844 894 S HN 0.443 nan 8.310 nan 0.000 0.459 895 T N 1.512 116.062 114.554 -0.007 0.000 2.755 895 T HA 0.068 4.417 4.350 -0.003 0.000 0.251 895 T C 1.875 176.545 174.700 -0.050 0.000 1.044 895 T CA 1.051 63.130 62.100 -0.035 0.000 1.154 895 T CB -0.313 68.518 68.868 -0.062 0.000 0.866 895 T HN 0.140 nan 8.240 nan 0.000 0.416 896 V N 0.319 120.198 119.914 -0.058 0.000 2.320 896 V HA 0.492 4.610 4.120 -0.003 0.000 0.219 896 V C 1.630 177.693 176.094 -0.053 0.000 1.055 896 V CA 1.450 63.702 62.300 -0.081 0.000 1.054 896 V CB -0.991 30.758 31.823 -0.123 0.000 0.671 896 V HN 0.777 nan 8.190 nan 0.000 0.474 897 G N -0.921 107.859 108.800 -0.033 0.000 2.491 897 G HA2 -0.030 3.928 3.960 -0.003 0.000 0.183 897 G HA3 -0.030 3.928 3.960 -0.003 0.000 0.183 897 G C -0.942 173.989 174.900 0.050 0.000 1.221 897 G CA -0.117 44.985 45.100 0.004 0.000 0.996 897 G HN 0.214 nan 8.290 nan 0.000 0.474 898 N N 2.096 120.844 118.700 0.080 0.000 2.623 898 N HA 0.234 4.973 4.740 -0.003 0.000 0.263 898 N C 0.161 175.820 175.510 0.248 0.000 1.218 898 N CA 1.028 54.201 53.050 0.206 0.000 0.949 898 N CB 0.365 38.945 38.487 0.155 0.000 1.270 898 N HN 0.855 nan 8.380 nan 0.000 0.507 899 T N -5.339 109.176 114.554 -0.065 0.000 2.901 899 T HA 0.491 4.839 4.350 -0.003 0.000 0.293 899 T C 0.955 175.014 174.700 -1.068 0.000 1.084 899 T CA -0.826 61.043 62.100 -0.386 0.000 1.008 899 T CB 1.805 70.532 68.868 -0.236 0.000 1.170 899 T HN -0.036 nan 8.240 nan 0.000 0.509 900 G N -0.258 107.828 108.800 -1.189 0.000 3.233 900 G HA2 0.442 4.400 3.960 -0.003 0.000 0.227 900 G HA3 0.442 4.400 3.960 -0.003 0.000 0.227 900 G C 0.725 174.850 174.900 -1.291 0.000 1.175 900 G CA -0.031 44.193 45.100 -1.461 0.000 0.781 900 G HN 1.198 nan 8.290 nan 0.000 0.542 901 A N 0.984 123.278 122.820 -0.877 0.000 3.063 901 A HA 0.581 4.899 4.320 -0.003 0.000 0.263 901 A C -0.091 177.092 177.584 -0.668 0.000 1.736 901 A CA -0.727 50.917 52.037 -0.656 0.000 1.408 901 A CB -0.950 17.812 19.000 -0.397 0.000 1.108 901 A HN 0.260 nan 8.150 nan 0.000 0.621 902 F N 1.410 120.963 119.950 -0.662 0.000 2.572 902 F HA 0.123 4.648 4.527 -0.002 0.000 0.370 902 F C 1.125 176.406 175.800 -0.864 0.000 1.103 902 F CA 0.158 57.579 58.000 -0.965 0.000 1.286 902 F CB 0.791 38.705 39.000 -1.810 0.000 1.105 902 F HN 0.209 nan 8.300 nan 0.000 0.583 903 K N 2.274 122.467 120.400 -0.343 0.000 2.098 903 K HA 0.158 4.477 4.320 -0.003 0.000 0.258 903 K C 0.001 176.588 176.600 -0.023 0.000 0.973 903 K CA -0.439 55.734 56.287 -0.191 0.000 0.898 903 K CB 1.282 33.677 32.500 -0.175 0.000 1.057 903 K HN 0.496 nan 8.250 nan 0.000 0.447 904 D N 1.119 121.532 120.400 0.021 0.000 2.305 904 D HA -0.067 4.572 4.640 -0.003 0.000 0.206 904 D C 0.651 176.650 176.300 -0.501 0.000 0.974 904 D CA 0.833 54.863 54.000 0.049 0.000 0.871 904 D CB 0.365 41.232 40.800 0.112 0.000 0.947 904 D HN 0.505 nan 8.370 nan 0.000 0.516 905 E N -0.042 119.745 120.200 -0.689 0.000 2.474 905 E HA 0.065 4.414 4.350 -0.003 0.000 0.195 905 E C 1.831 178.321 176.600 -0.182 0.000 1.039 905 E CA -0.014 55.830 56.400 -0.927 0.000 0.881 905 E CB -0.117 29.196 29.700 -0.645 0.000 0.970 905 E HN -0.000 nan 8.360 nan 0.000 0.486 906 V N 1.119 120.947 119.914 -0.143 0.000 2.287 906 V HA -0.283 3.835 4.120 -0.003 0.000 0.248 906 V C 2.229 178.412 176.094 0.150 0.000 1.053 906 V CA 1.677 63.966 62.300 -0.019 0.000 1.027 906 V CB -0.530 31.273 31.823 -0.034 0.000 0.646 906 V HN 0.324 nan 8.190 nan 0.000 0.447 907 L N -0.166 121.139 121.223 0.137 0.000 1.970 907 L HA -0.221 4.117 4.340 -0.003 0.000 0.212 907 L C 2.798 179.833 176.870 0.276 0.000 1.071 907 L CA 2.172 57.120 54.840 0.179 0.000 0.751 907 L CB -0.476 41.671 42.059 0.146 0.000 0.889 907 L HN 0.441 nan 8.230 nan 0.000 0.432 908 S N -1.282 114.599 115.700 0.302 0.000 2.374 908 S HA -0.282 4.187 4.470 -0.003 0.000 0.227 908 S C 1.821 176.602 174.600 0.301 0.000 1.037 908 S CA 1.702 60.122 58.200 0.366 0.000 1.024 908 S CB -0.301 63.262 63.200 0.605 0.000 0.861 908 S HN 0.516 nan 8.310 nan 0.000 0.456 909 H N -1.252 117.934 119.070 0.194 0.000 2.321 909 H HA -0.065 4.490 4.556 -0.003 0.000 0.300 909 H C 1.566 176.982 175.328 0.146 0.000 1.087 909 H CA 2.040 58.161 56.048 0.122 0.000 1.319 909 H CB -0.558 29.255 29.762 0.084 0.000 1.379 909 H HN 0.615 nan 8.280 nan 0.000 0.501 910 W N 0.936 122.332 121.300 0.160 0.000 2.333 910 W HA -0.213 4.445 4.660 -0.003 0.000 0.316 910 W C 2.083 178.659 176.519 0.094 0.000 1.215 910 W CA 1.510 58.914 57.345 0.099 0.000 1.278 910 W CB -0.564 28.942 29.460 0.077 0.000 1.154 910 W HN 0.144 nan 8.180 nan 0.000 0.486 911 L N 0.679 122.154 121.223 0.420 0.000 2.012 911 L HA -0.270 4.068 4.340 -0.003 0.000 0.210 911 L C 2.571 179.546 176.870 0.176 0.000 1.073 911 L CA 2.047 57.068 54.840 0.300 0.000 0.748 911 L CB -0.887 41.408 42.059 0.393 0.000 0.891 911 L HN -0.034 nan 8.230 nan 0.000 0.431 912 K N 0.847 121.314 120.400 0.111 0.000 2.032 912 K HA -0.257 4.062 4.320 -0.003 0.000 0.209 912 K C 1.851 178.349 176.600 -0.171 0.000 1.048 912 K CA 2.036 58.182 56.287 -0.235 0.000 0.927 912 K CB -0.237 31.932 32.500 -0.551 0.000 0.712 912 K HN 0.386 nan 8.250 nan 0.000 0.441 913 E N 0.531 120.639 120.200 -0.152 0.000 2.160 913 E HA -0.187 4.161 4.350 -0.003 0.000 0.195 913 E C 1.261 177.737 176.600 -0.206 0.000 0.991 913 E CA 1.548 57.848 56.400 -0.166 0.000 0.810 913 E CB -0.122 29.485 29.700 -0.155 0.000 0.742 913 E HN 0.115 nan 8.360 nan 0.000 0.466 914 K N -0.521 119.711 120.400 -0.279 0.000 2.365 914 K HA 0.108 4.427 4.320 -0.003 0.000 0.197 914 K C -0.015 176.519 176.600 -0.111 0.000 1.042 914 K CA 0.447 56.565 56.287 -0.282 0.000 0.987 914 K CB 0.173 32.375 32.500 -0.496 0.000 0.779 914 K HN 0.163 nan 8.250 nan 0.000 0.484 915 C N 2.858 122.137 119.300 -0.036 0.000 3.335 915 C HA 0.227 4.686 4.460 -0.003 0.000 0.217 915 C C -1.397 173.598 174.990 0.008 0.000 1.330 915 C CA -1.185 57.860 59.018 0.046 0.000 1.470 915 C CB 0.939 28.797 27.740 0.196 0.000 1.806 915 C HN 0.191 nan 8.230 nan 0.000 0.468 916 P HA -0.041 nan 4.420 nan 0.000 0.226 916 P C 0.178 177.461 177.300 -0.029 0.000 1.153 916 P CA 1.075 64.140 63.100 -0.058 0.000 0.777 916 P CB 0.409 32.077 31.700 -0.054 0.000 0.794 917 I N 1.056 121.632 120.570 0.010 0.000 2.325 917 I HA 0.076 4.244 4.170 -0.003 0.000 0.291 917 I C 1.770 177.928 176.117 0.069 0.000 1.019 917 I CA -0.720 60.597 61.300 0.028 0.000 1.302 917 I CB 0.901 38.918 38.000 0.029 0.000 1.401 917 I HN -0.216 nan 8.210 nan 0.000 0.485 918 E N 4.890 125.125 120.200 0.059 0.000 2.072 918 E HA -0.310 4.038 4.350 -0.003 0.000 0.218 918 E C 1.545 178.223 176.600 0.129 0.000 1.051 918 E CA 1.944 58.402 56.400 0.096 0.000 0.880 918 E CB -0.245 29.492 29.700 0.062 0.000 0.783 918 E HN 0.667 nan 8.360 nan 0.000 0.473 919 E N 0.651 120.901 120.200 0.084 0.000 2.114 919 E HA -0.230 4.118 4.350 -0.003 0.000 0.199 919 E C 2.195 178.841 176.600 0.077 0.000 1.008 919 E CA 1.494 57.937 56.400 0.071 0.000 0.810 919 E CB -0.169 29.559 29.700 0.046 0.000 0.739 919 E HN 0.197 nan 8.360 nan 0.000 0.456 920 K N 0.283 120.735 120.400 0.086 0.000 2.026 920 K HA -0.185 4.133 4.320 -0.003 0.000 0.208 920 K C 2.057 178.729 176.600 0.120 0.000 1.048 920 K CA 1.176 57.514 56.287 0.085 0.000 0.929 920 K CB -0.214 32.332 32.500 0.076 0.000 0.713 920 K HN 0.044 nan 8.250 nan 0.000 0.439 921 F N 2.226 122.182 119.950 0.011 0.000 2.095 921 F HA -0.210 4.315 4.527 -0.003 0.000 0.298 921 F C 2.277 178.094 175.800 0.028 0.000 1.104 921 F CA 1.561 59.567 58.000 0.011 0.000 1.232 921 F CB -0.251 38.751 39.000 0.003 0.000 0.987 921 F HN 0.123 nan 8.300 nan 0.000 0.475 922 Q N 0.328 120.114 119.800 -0.023 0.000 2.170 922 Q HA -0.100 4.239 4.340 -0.003 0.000 0.203 922 Q C 2.466 178.416 176.000 -0.082 0.000 0.976 922 Q CA 1.325 57.076 55.803 -0.087 0.000 0.858 922 Q CB -0.995 27.785 28.738 0.069 0.000 0.907 922 Q HN 0.549 nan 8.270 nan 0.000 0.433 923 A N 0.847 123.648 122.820 -0.032 0.000 1.898 923 A HA -0.020 4.298 4.320 -0.003 0.000 0.216 923 A C 2.303 179.867 177.584 -0.033 0.000 1.181 923 A CA 1.684 53.713 52.037 -0.012 0.000 0.620 923 A CB -0.530 18.476 19.000 0.010 0.000 0.819 923 A HN 0.347 nan 8.150 nan 0.000 0.442 924 A N -0.557 122.222 122.820 -0.067 0.000 1.898 924 A HA 0.051 4.369 4.320 -0.003 0.000 0.216 924 A C 2.200 179.725 177.584 -0.097 0.000 1.181 924 A CA 1.647 53.655 52.037 -0.048 0.000 0.620 924 A CB -0.853 18.131 19.000 -0.026 0.000 0.819 924 A HN 0.360 nan 8.150 nan 0.000 0.442 925 V N 0.133 119.859 119.914 -0.315 0.000 2.343 925 V HA -0.271 3.847 4.120 -0.003 0.000 0.247 925 V C 2.511 178.498 176.094 -0.179 0.000 1.051 925 V CA 2.307 64.385 62.300 -0.370 0.000 1.036 925 V CB -0.731 30.674 31.823 -0.697 0.000 0.654 925 V HN 0.794 nan 8.190 nan 0.000 0.451 926 E N -0.057 120.079 120.200 -0.107 0.000 2.110 926 E HA -0.239 4.109 4.350 -0.003 0.000 0.193 926 E C 2.488 179.215 176.600 0.211 0.000 0.988 926 E CA 1.000 57.440 56.400 0.066 0.000 0.804 926 E CB -0.023 29.754 29.700 0.128 0.000 0.745 926 E HN 0.329 nan 8.360 nan 0.000 0.458 927 R N -0.193 120.385 120.500 0.130 0.000 2.081 927 R HA -0.132 4.207 4.340 -0.003 0.000 0.235 927 R C 2.250 178.653 176.300 0.172 0.000 1.131 927 R CA 1.197 57.379 56.100 0.137 0.000 0.960 927 R CB -0.776 29.575 30.300 0.086 0.000 0.856 927 R HN 0.304 nan 8.270 nan 0.000 0.436 928 F N 1.092 121.040 119.950 -0.002 0.000 2.134 928 F HA -0.199 4.326 4.527 -0.003 0.000 0.299 928 F C 2.216 178.012 175.800 -0.007 0.000 1.097 928 F CA 1.147 59.126 58.000 -0.034 0.000 1.264 928 F CB -0.271 38.663 39.000 -0.111 0.000 1.001 928 F HN -0.279 nan 8.300 nan 0.000 0.479 929 V N -0.361 119.635 119.914 0.136 0.000 2.287 929 V HA -0.357 3.762 4.120 -0.003 0.000 0.248 929 V C 2.081 178.167 176.094 -0.013 0.000 1.053 929 V CA 2.294 64.634 62.300 0.067 0.000 1.027 929 V CB -1.056 30.771 31.823 0.005 0.000 0.646 929 V HN 0.380 nan 8.190 nan 0.000 0.447 930 Y N 1.305 121.581 120.300 -0.040 0.000 2.109 930 Y HA -0.231 4.317 4.550 -0.002 0.000 0.285 930 Y C 2.976 178.801 175.900 -0.125 0.000 1.131 930 Y CA 1.952 59.983 58.100 -0.113 0.000 1.121 930 Y CB -0.774 37.605 38.460 -0.136 0.000 0.987 930 Y HN 0.379 nan 8.280 nan 0.000 0.495 931 S N -1.160 114.593 115.700 0.088 0.000 2.359 931 S HA -0.315 4.154 4.470 -0.003 0.000 0.224 931 S C 2.187 176.833 174.600 0.076 0.000 1.035 931 S CA 1.268 59.527 58.200 0.098 0.000 1.018 931 S CB -1.517 61.767 63.200 0.140 0.000 0.876 931 S HN 0.618 nan 8.310 nan 0.000 0.448 932 C N 2.233 121.429 119.300 -0.173 0.000 2.413 932 C HA 0.105 4.563 4.460 -0.003 0.000 0.276 932 C C 3.150 178.231 174.990 0.152 0.000 1.248 932 C CA 0.953 59.867 59.018 -0.174 0.000 1.742 932 C CB -1.810 25.582 27.740 -0.580 0.000 2.017 932 C HN 0.700 nan 8.230 nan 0.000 0.481 933 A N 0.300 123.194 122.820 0.123 0.000 1.898 933 A HA 0.126 4.445 4.320 -0.003 0.000 0.216 933 A C 2.479 179.947 177.584 -0.194 0.000 1.181 933 A CA 2.060 54.005 52.037 -0.153 0.000 0.620 933 A CB -1.512 17.209 19.000 -0.464 0.000 0.819 933 A HN 0.673 nan 8.150 nan 0.000 0.442 934 G N -1.447 107.237 108.800 -0.192 0.000 2.459 934 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.217 934 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.217 934 G C 1.496 176.343 174.900 -0.088 0.000 1.183 934 G CA 1.290 46.245 45.100 -0.241 0.000 0.776 934 G HN 0.555 nan 8.290 nan 0.000 0.552 935 Y N 0.114 120.449 120.300 0.057 0.000 2.242 935 Y HA -0.116 4.432 4.550 -0.003 0.000 0.291 935 Y C 3.197 179.108 175.900 0.019 0.000 1.137 935 Y CA 0.857 58.993 58.100 0.059 0.000 1.181 935 Y CB -0.446 38.075 38.460 0.101 0.000 0.989 935 Y HN 0.231 nan 8.280 nan 0.000 0.527 936 C N -1.075 118.280 119.300 0.092 0.000 2.413 936 C HA -0.165 4.293 4.460 -0.003 0.000 0.276 936 C C 2.736 177.665 174.990 -0.102 0.000 1.236 936 C CA 1.037 59.924 59.018 -0.219 0.000 1.735 936 C CB -1.124 26.256 27.740 -0.600 0.000 2.031 936 C HN 0.356 nan 8.230 nan 0.000 0.474 937 V N 1.318 121.262 119.914 0.049 0.000 2.244 937 V HA -0.185 3.933 4.120 -0.003 0.000 0.244 937 V C 2.719 179.028 176.094 0.358 0.000 1.042 937 V CA 2.237 64.690 62.300 0.256 0.000 1.006 937 V CB -1.454 30.428 31.823 0.098 0.000 0.641 937 V HN 0.589 nan 8.190 nan 0.000 0.446 938 A N -0.509 122.470 122.820 0.266 0.000 1.859 938 A HA -0.323 3.995 4.320 -0.003 0.000 0.217 938 A C 2.473 180.172 177.584 0.193 0.000 1.198 938 A CA 2.933 55.076 52.037 0.177 0.000 0.629 938 A CB -1.308 17.726 19.000 0.056 0.000 0.830 938 A HN 0.457 nan 8.150 nan 0.000 0.446 939 T N -1.907 112.771 114.554 0.206 0.000 2.833 939 T HA -0.136 4.212 4.350 -0.003 0.000 0.269 939 T C 1.523 176.427 174.700 0.340 0.000 1.054 939 T CA 1.683 63.921 62.100 0.230 0.000 1.135 939 T CB -0.435 68.528 68.868 0.159 0.000 0.869 939 T HN 0.431 nan 8.240 nan 0.000 0.466 940 F N 1.200 121.336 119.950 0.310 0.000 2.128 940 F HA 0.025 4.551 4.527 -0.003 0.000 0.295 940 F C 2.160 178.194 175.800 0.389 0.000 1.100 940 F CA 0.882 59.129 58.000 0.412 0.000 1.260 940 F CB -0.591 38.712 39.000 0.505 0.000 1.009 940 F HN -0.030 nan 8.300 nan 0.000 0.476 941 V N 1.061 121.148 119.914 0.288 0.000 2.392 941 V HA -0.296 3.823 4.120 -0.003 0.000 0.249 941 V C 2.309 178.414 176.094 0.018 0.000 1.059 941 V CA 1.884 64.249 62.300 0.109 0.000 1.051 941 V CB -0.787 31.140 31.823 0.174 0.000 0.658 941 V HN 0.379 nan 8.190 nan 0.000 0.455 942 L N 0.257 121.536 121.223 0.094 0.000 2.554 942 L HA 0.267 4.605 4.340 -0.003 0.000 0.226 942 L C 1.698 178.630 176.870 0.103 0.000 1.137 942 L CA 0.776 55.698 54.840 0.137 0.000 0.863 942 L CB -0.652 41.510 42.059 0.172 0.000 0.985 942 L HN 0.542 nan 8.230 nan 0.000 0.451 943 G N 1.894 110.702 108.800 0.014 0.000 2.198 943 G HA2 -0.290 3.669 3.960 -0.003 0.000 0.257 943 G HA3 -0.290 3.669 3.960 -0.003 0.000 0.257 943 G C 0.541 175.389 174.900 -0.087 0.000 1.042 943 G CA 0.569 45.466 45.100 -0.340 0.000 0.791 943 G HN 0.621 nan 8.290 nan 0.000 0.502 944 I N -3.741 116.890 120.570 0.103 0.000 3.621 944 I HA 0.547 4.715 4.170 -0.003 0.000 0.325 944 I C 1.393 177.661 176.117 0.252 0.000 1.554 944 I CA 0.092 61.497 61.300 0.174 0.000 1.053 944 I CB 0.207 38.333 38.000 0.209 0.000 1.302 944 I HN 0.013 nan 8.210 nan 0.000 0.518 945 G N 0.714 109.689 108.800 0.292 0.000 2.421 945 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.217 945 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.217 945 G C 0.543 175.647 174.900 0.341 0.000 1.143 945 G CA 0.373 45.701 45.100 0.380 0.000 0.784 945 G HN 0.435 nan 8.290 nan 0.000 0.541 946 D N 1.200 121.780 120.400 0.299 0.000 2.416 946 D HA 0.166 4.804 4.640 -0.003 0.000 0.240 946 D C 0.296 176.752 176.300 0.261 0.000 1.250 946 D CA 0.061 54.258 54.000 0.329 0.000 0.967 946 D CB -0.069 40.964 40.800 0.388 0.000 1.059 946 D HN 0.162 nan 8.370 nan 0.000 0.512 947 R N 1.853 122.362 120.500 0.016 0.000 2.854 947 R HA 0.262 4.600 4.340 -0.003 0.000 0.271 947 R C -0.278 175.553 176.300 -0.782 0.000 0.994 947 R CA -1.039 54.819 56.100 -0.404 0.000 0.945 947 R CB 1.300 31.521 30.300 -0.131 0.000 1.194 947 R HN 0.404 nan 8.270 nan 0.000 0.476 948 H N 1.222 119.545 119.070 -1.245 0.000 2.707 948 H HA 0.045 4.600 4.556 -0.003 0.000 0.359 948 H C 1.133 176.197 175.328 -0.439 0.000 1.113 948 H CA 0.325 55.843 56.048 -0.884 0.000 1.422 948 H CB 0.768 30.146 29.762 -0.640 0.000 1.443 948 H HN 0.480 nan 8.280 nan 0.000 0.591 949 N N 2.464 120.598 118.700 -0.943 0.000 2.184 949 N HA -0.229 4.510 4.740 -0.003 0.000 0.190 949 N C 0.761 175.889 175.510 -0.637 0.000 1.011 949 N CA 1.699 54.312 53.050 -0.728 0.000 0.867 949 N CB -0.066 38.009 38.487 -0.687 0.000 0.993 949 N HN 0.749 nan 8.380 nan 0.000 0.433 950 D N -0.511 119.443 120.400 -0.743 0.000 2.363 950 D HA 0.060 4.699 4.640 -0.003 0.000 0.226 950 D C 0.423 176.545 176.300 -0.297 0.000 1.020 950 D CA 0.486 54.279 54.000 -0.345 0.000 0.892 950 D CB -0.211 40.529 40.800 -0.100 0.000 0.900 950 D HN 0.356 nan 8.370 nan 0.000 0.531 951 N N -0.772 117.712 118.700 -0.360 0.000 2.235 951 N HA 0.215 4.953 4.740 -0.003 0.000 0.209 951 N C -0.506 174.713 175.510 -0.485 0.000 1.122 951 N CA -0.046 52.789 53.050 -0.359 0.000 0.845 951 N CB 1.000 39.298 38.487 -0.315 0.000 1.004 951 N HN 0.139 nan 8.380 nan 0.000 0.499 952 I N 1.058 121.324 120.570 -0.506 0.000 2.498 952 I HA 0.351 4.520 4.170 -0.003 0.000 0.290 952 I C -0.535 175.253 176.117 -0.547 0.000 1.032 952 I CA -0.489 60.450 61.300 -0.601 0.000 1.073 952 I CB 1.814 39.499 38.000 -0.524 0.000 1.251 952 I HN -0.130 nan 8.210 nan 0.000 0.426 953 M N 5.802 124.933 119.600 -0.782 0.000 2.762 953 M HA 0.609 5.087 4.480 -0.003 0.000 0.306 953 M C -1.044 174.788 176.300 -0.780 0.000 1.223 953 M CA -0.912 53.878 55.300 -0.850 0.000 0.896 953 M CB 3.050 34.931 32.600 -1.199 0.000 1.684 953 M HN 0.355 nan 8.290 nan 0.000 0.491 954 I N 0.914 121.205 120.570 -0.465 0.000 2.692 954 I HA 0.370 4.538 4.170 -0.003 0.000 0.293 954 I C -0.901 175.278 176.117 0.103 0.000 1.200 954 I CA -0.159 61.060 61.300 -0.135 0.000 1.036 954 I CB 2.409 40.325 38.000 -0.139 0.000 1.258 954 I HN 0.862 nan 8.210 nan 0.000 0.421 955 S N 4.541 120.438 115.700 0.329 0.000 2.713 955 S HA 0.441 4.910 4.470 -0.003 0.000 0.283 955 S C 0.636 175.512 174.600 0.460 0.000 1.161 955 S CA -0.551 57.886 58.200 0.395 0.000 0.999 955 S CB 1.655 65.058 63.200 0.338 0.000 1.039 955 S HN 0.641 nan 8.310 nan 0.000 0.548 956 E N 0.295 120.728 120.200 0.388 0.000 2.472 956 E HA -0.057 4.292 4.350 -0.003 0.000 0.200 956 E C 0.974 177.669 176.600 0.157 0.000 1.046 956 E CA 1.212 57.740 56.400 0.213 0.000 0.871 956 E CB -0.292 29.448 29.700 0.067 0.000 0.806 956 E HN 0.872 nan 8.360 nan 0.000 0.533 957 T N -3.856 110.808 114.554 0.182 0.000 3.069 957 T HA 0.311 4.660 4.350 -0.003 0.000 0.252 957 T C 1.411 176.201 174.700 0.149 0.000 1.053 957 T CA 0.155 62.334 62.100 0.130 0.000 0.964 957 T CB 0.850 69.778 68.868 0.100 0.000 1.005 957 T HN 0.187 nan 8.240 nan 0.000 0.532 958 G N 1.680 110.614 108.800 0.223 0.000 2.157 958 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.248 958 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.248 958 G C -0.035 175.035 174.900 0.283 0.000 0.979 958 G CA -0.222 45.028 45.100 0.250 0.000 0.650 958 G HN 0.629 nan 8.290 nan 0.000 0.529 959 N N 0.426 119.278 118.700 0.253 0.000 2.442 959 N HA 0.398 5.137 4.740 -0.003 0.000 0.265 959 N C -0.037 175.662 175.510 0.316 0.000 1.138 959 N CA -0.124 53.078 53.050 0.253 0.000 0.956 959 N CB 0.891 39.511 38.487 0.221 0.000 1.067 959 N HN 0.387 nan 8.380 nan 0.000 0.474 960 L N 5.403 126.737 121.223 0.185 0.000 2.325 960 L HA 0.611 4.950 4.340 -0.003 0.000 0.279 960 L C -1.013 175.926 176.870 0.116 0.000 1.054 960 L CA -0.425 54.423 54.840 0.013 0.000 0.804 960 L CB 0.418 42.278 42.059 -0.331 0.000 1.200 960 L HN 0.468 nan 8.230 nan 0.000 0.436 961 F N 1.384 121.147 119.950 -0.311 0.000 2.635 961 F HA 0.472 4.998 4.527 -0.002 0.000 0.314 961 F C -0.839 174.651 175.800 -0.517 0.000 1.119 961 F CA -0.948 56.668 58.000 -0.639 0.000 1.000 961 F CB 0.751 39.690 39.000 -0.102 0.000 1.278 961 F HN 0.431 nan 8.300 nan 0.000 0.446 962 H N 3.450 122.078 119.070 -0.737 0.000 2.551 962 H HA 0.739 5.293 4.556 -0.003 0.000 0.358 962 H C -0.067 175.163 175.328 -0.164 0.000 1.151 962 H CA 0.167 55.999 56.048 -0.359 0.000 1.374 962 H CB 2.188 31.873 29.762 -0.128 0.000 1.473 962 H HN 0.823 nan 8.280 nan 0.000 0.574 963 I N -2.221 118.145 120.570 -0.340 0.000 3.467 963 I HA 0.269 4.438 4.170 -0.003 0.000 0.314 963 I C -0.532 175.253 176.117 -0.553 0.000 1.177 963 I CA -1.135 60.002 61.300 -0.273 0.000 0.943 963 I CB 1.712 39.587 38.000 -0.208 0.000 1.338 963 I HN 0.470 nan 8.210 nan 0.000 0.482 964 D N 0.763 121.034 120.400 -0.215 0.000 2.886 964 D HA -0.232 4.406 4.640 -0.003 0.000 0.221 964 D C 0.050 176.255 176.300 -0.158 0.000 1.227 964 D CA 0.894 54.822 54.000 -0.119 0.000 0.746 964 D CB -0.639 40.089 40.800 -0.121 0.000 0.935 964 D HN 0.547 nan 8.370 nan 0.000 0.399 965 F N 0.733 120.763 119.950 0.132 0.000 2.163 965 F HA 0.183 4.708 4.527 -0.003 0.000 0.297 965 F C 2.544 178.406 175.800 0.103 0.000 1.094 965 F CA 1.065 59.135 58.000 0.117 0.000 1.290 965 F CB -0.682 38.390 39.000 0.120 0.000 1.017 965 F HN 0.506 nan 8.300 nan 0.000 0.483 966 G N -0.104 108.869 108.800 0.288 0.000 2.598 966 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.269 966 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.269 966 G C -0.324 174.779 174.900 0.338 0.000 1.289 966 G CA -0.019 45.216 45.100 0.226 0.000 0.926 966 G HN 0.573 nan 8.290 nan 0.000 0.567 967 H N -0.150 118.965 119.070 0.076 0.000 2.923 967 H HA 0.492 5.046 4.556 -0.003 0.000 0.251 967 H C 0.796 176.169 175.328 0.075 0.000 1.741 967 H CA -0.005 56.079 56.048 0.059 0.000 1.387 967 H CB 0.125 29.909 29.762 0.037 0.000 1.740 967 H HN 0.472 nan 8.280 nan 0.000 0.544 980 K N 0.676 121.058 120.400 -0.030 0.000 2.889 980 K HA 0.364 4.683 4.320 -0.003 0.000 0.290 980 K C -1.238 175.349 176.600 -0.022 0.000 1.035 980 K CA -0.864 55.398 56.287 -0.042 0.000 0.776 980 K CB 0.683 33.130 32.500 -0.089 0.000 1.457 980 K HN -0.045 nan 8.250 nan 0.000 0.363 981 E N 1.368 121.556 120.200 -0.020 0.000 2.338 981 E HA 0.325 4.674 4.350 -0.003 0.000 0.272 981 E C -0.692 175.918 176.600 0.016 0.000 1.029 981 E CA -0.124 56.280 56.400 0.007 0.000 0.872 981 E CB 1.153 30.870 29.700 0.029 0.000 1.015 981 E HN 0.376 nan 8.360 nan 0.000 0.417 982 R N 0.409 120.930 120.500 0.034 0.000 2.774 982 R HA 0.694 5.032 4.340 -0.003 0.000 0.272 982 R C -1.170 175.158 176.300 0.046 0.000 1.000 982 R CA -0.916 55.222 56.100 0.063 0.000 0.906 982 R CB 2.349 32.688 30.300 0.065 0.000 1.227 982 R HN 0.296 nan 8.270 nan 0.000 0.468 983 V N 2.209 122.163 119.914 0.066 0.000 2.971 983 V HA 0.403 4.522 4.120 -0.003 0.000 0.309 983 V C -1.918 174.169 176.094 -0.012 0.000 1.130 983 V CA -2.004 60.281 62.300 -0.025 0.000 0.964 983 V CB 2.537 34.347 31.823 -0.020 0.000 1.029 983 V HN 0.720 nan 8.190 nan 0.000 0.427 984 P HA 0.050 nan 4.420 nan 0.000 0.220 984 P C -0.188 177.216 177.300 0.174 0.000 1.152 984 P CA 1.283 64.375 63.100 -0.013 0.000 0.812 984 P CB 0.057 31.535 31.700 -0.371 0.000 0.792 985 F N -4.011 116.058 119.950 0.198 0.000 2.926 985 F HA 0.463 4.989 4.527 -0.002 0.000 0.321 985 F C -1.332 174.576 175.800 0.180 0.000 1.168 985 F CA -1.804 56.333 58.000 0.228 0.000 0.890 985 F CB 0.310 39.460 39.000 0.251 0.000 1.357 985 F HN -0.481 nan 8.300 nan 0.000 0.468 986 V N 2.254 122.496 119.914 0.547 0.000 2.368 986 V HA 0.547 4.666 4.120 -0.003 0.000 0.266 986 V C -0.749 175.582 176.094 0.395 0.000 1.045 986 V CA -0.154 62.337 62.300 0.319 0.000 0.899 986 V CB 0.802 32.758 31.823 0.223 0.000 1.006 986 V HN 0.681 nan 8.190 nan 0.000 0.470 987 L N 6.409 127.734 121.223 0.171 0.000 2.420 987 L HA 0.430 4.768 4.340 -0.003 0.000 0.260 987 L C 0.412 177.180 176.870 -0.169 0.000 1.508 987 L CA 0.151 55.102 54.840 0.186 0.000 0.835 987 L CB 1.226 43.519 42.059 0.391 0.000 1.018 987 L HN 0.739 nan 8.230 nan 0.000 0.520 988 T N -0.338 113.862 114.554 -0.591 0.000 2.816 988 T HA 0.449 4.797 4.350 -0.003 0.000 0.282 988 T C -1.872 172.401 174.700 -0.712 0.000 0.993 988 T CA -1.523 60.072 62.100 -0.841 0.000 0.994 988 T CB 0.704 68.800 68.868 -1.287 0.000 1.025 988 T HN 0.187 nan 8.240 nan 0.000 0.529 989 P HA -0.165 nan 4.420 nan 0.000 0.216 989 P C 1.338 178.576 177.300 -0.104 0.000 1.150 989 P CA 1.301 64.133 63.100 -0.447 0.000 0.843 989 P CB -0.074 31.336 31.700 -0.484 0.000 0.787 990 D N -1.430 118.885 120.400 -0.142 0.000 2.178 990 D HA -0.179 4.459 4.640 -0.003 0.000 0.202 990 D C 1.658 178.179 176.300 0.368 0.000 0.974 990 D CA 1.248 55.376 54.000 0.212 0.000 0.841 990 D CB -1.219 39.783 40.800 0.337 0.000 0.953 990 D HN 0.116 nan 8.370 nan 0.000 0.478 991 F N 0.943 120.922 119.950 0.048 0.000 2.128 991 F HA 0.145 4.670 4.527 -0.002 0.000 0.295 991 F C 2.533 178.404 175.800 0.118 0.000 1.100 991 F CA 0.061 58.170 58.000 0.182 0.000 1.260 991 F CB -1.064 38.043 39.000 0.178 0.000 1.009 991 F HN -0.053 nan 8.300 nan 0.000 0.476 992 L N -1.556 119.794 121.223 0.211 0.000 2.131 992 L HA -0.236 4.103 4.340 -0.003 0.000 0.210 992 L C 2.445 179.364 176.870 0.081 0.000 1.092 992 L CA 1.013 55.883 54.840 0.051 0.000 0.759 992 L CB -0.770 41.228 42.059 -0.102 0.000 0.903 992 L HN 0.022 nan 8.230 nan 0.000 0.435 993 F N 0.421 120.386 119.950 0.025 0.000 2.075 993 F HA -0.216 4.309 4.527 -0.003 0.000 0.297 993 F C 2.343 178.168 175.800 0.042 0.000 1.113 993 F CA 1.650 59.676 58.000 0.043 0.000 1.218 993 F CB -0.233 38.819 39.000 0.087 0.000 0.984 993 F HN -0.272 nan 8.300 nan 0.000 0.472 994 V N 0.642 120.676 119.914 0.201 0.000 2.453 994 V HA -0.354 3.764 4.120 -0.003 0.000 0.252 994 V C 2.072 178.127 176.094 -0.066 0.000 1.068 994 V CA 2.148 64.442 62.300 -0.010 0.000 1.070 994 V CB -0.771 30.788 31.823 -0.441 0.000 0.664 994 V HN 0.391 nan 8.190 nan 0.000 0.461 995 M N -0.088 119.514 119.600 0.004 0.000 2.639 995 M HA 0.278 4.756 4.480 -0.003 0.000 0.220 995 M C 1.320 177.700 176.300 0.135 0.000 1.155 995 M CA 0.774 56.124 55.300 0.085 0.000 1.003 995 M CB -0.002 32.700 32.600 0.169 0.000 1.725 995 M HN 0.476 nan 8.290 nan 0.000 0.489 996 G N 1.326 110.118 108.800 -0.014 0.000 2.225 996 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.264 996 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.264 996 G C -0.149 174.682 174.900 -0.114 0.000 1.060 996 G CA 0.186 45.236 45.100 -0.084 0.000 0.833 996 G HN 0.418 nan 8.290 nan 0.000 0.498 997 T N -0.230 114.228 114.554 -0.159 0.000 2.906 997 T HA 0.605 4.954 4.350 -0.003 0.000 0.302 997 T C 0.809 175.423 174.700 -0.142 0.000 1.002 997 T CA 0.380 62.376 62.100 -0.173 0.000 0.988 997 T CB 1.739 70.427 68.868 -0.300 0.000 0.972 997 T HN 0.301 nan 8.240 nan 0.000 0.447 998 S N 2.712 118.354 115.700 -0.096 0.000 2.346 998 S HA 0.357 4.825 4.470 -0.003 0.000 0.204 998 S C 1.515 176.116 174.600 0.001 0.000 1.008 998 S CA 0.844 59.059 58.200 0.025 0.000 0.925 998 S CB -0.517 62.718 63.200 0.058 0.000 0.903 998 S HN 0.792 nan 8.310 nan 0.000 0.537 999 G N 1.109 109.895 108.800 -0.023 0.000 2.580 999 G HA2 0.231 4.189 3.960 -0.003 0.000 0.225 999 G HA3 0.231 4.189 3.960 -0.003 0.000 0.225 999 G C 0.128 174.980 174.900 -0.081 0.000 1.521 999 G CA -0.254 44.827 45.100 -0.032 0.000 1.068 999 G HN 0.364 nan 8.290 nan 0.000 0.564 1000 K N 0.536 120.897 120.400 -0.065 0.000 2.476 1000 K HA 0.061 4.380 4.320 -0.003 0.000 0.196 1000 K C 0.719 177.274 176.600 -0.075 0.000 1.025 1000 K CA 0.085 56.325 56.287 -0.079 0.000 1.138 1000 K CB -0.039 32.437 32.500 -0.040 0.000 0.860 1000 K HN 0.585 nan 8.250 nan 0.000 0.515 1001 K N 0.317 120.672 120.400 -0.075 0.000 2.185 1001 K HA 0.177 4.496 4.320 -0.003 0.000 0.271 1001 K C 0.420 176.979 176.600 -0.068 0.000 1.013 1001 K CA -0.416 55.844 56.287 -0.045 0.000 0.943 1001 K CB 1.023 33.505 32.500 -0.030 0.000 0.998 1001 K HN -0.281 nan 8.250 nan 0.000 0.468 1002 T N 0.237 114.809 114.554 0.029 0.000 2.753 1002 T HA 0.205 4.553 4.350 -0.003 0.000 0.309 1002 T C -0.371 174.397 174.700 0.113 0.000 1.043 1002 T CA -0.116 62.073 62.100 0.149 0.000 0.964 1002 T CB 0.515 69.523 68.868 0.233 0.000 1.206 1002 T HN 0.735 nan 8.240 nan 0.000 0.528 1003 S N -0.881 114.948 115.700 0.215 0.000 2.611 1003 S HA 0.304 4.773 4.470 -0.003 0.000 0.270 1003 S C 0.176 174.858 174.600 0.137 0.000 1.131 1003 S CA -0.335 57.944 58.200 0.133 0.000 0.826 1003 S CB 0.650 63.913 63.200 0.104 0.000 1.095 1003 S HN 0.637 nan 8.310 nan 0.000 0.461 1004 L N 2.668 123.911 121.223 0.033 0.000 1.989 1004 L HA 0.029 4.368 4.340 -0.003 0.000 0.211 1004 L C 2.199 179.083 176.870 0.023 0.000 1.071 1004 L CA 2.363 57.187 54.840 -0.028 0.000 0.749 1004 L CB -1.003 40.964 42.059 -0.153 0.000 0.890 1004 L HN 0.880 nan 8.230 nan 0.000 0.431 1005 H N -1.671 117.451 119.070 0.087 0.000 2.357 1005 H HA -0.158 4.396 4.556 -0.002 0.000 0.301 1005 H C 2.071 177.499 175.328 0.167 0.000 1.082 1005 H CA 1.817 57.923 56.048 0.096 0.000 1.342 1005 H CB -0.589 29.222 29.762 0.082 0.000 1.389 1005 H HN 0.423 nan 8.280 nan 0.000 0.511 1006 F N 2.073 122.132 119.950 0.182 0.000 2.134 1006 F HA -0.203 4.323 4.527 -0.003 0.000 0.299 1006 F C 2.444 178.363 175.800 0.198 0.000 1.097 1006 F CA 1.431 59.535 58.000 0.173 0.000 1.264 1006 F CB -0.276 38.786 39.000 0.103 0.000 1.001 1006 F HN 0.091 nan 8.300 nan 0.000 0.479 1007 Q N -0.189 119.653 119.800 0.071 0.000 2.096 1007 Q HA -0.267 4.071 4.340 -0.003 0.000 0.204 1007 Q C 2.199 178.142 176.000 -0.095 0.000 0.982 1007 Q CA 1.921 57.688 55.803 -0.061 0.000 0.850 1007 Q CB -0.286 28.460 28.738 0.015 0.000 0.901 1007 Q HN 0.209 nan 8.270 nan 0.000 0.422 1008 K N 0.884 121.272 120.400 -0.020 0.000 2.009 1008 K HA -0.201 4.118 4.320 -0.003 0.000 0.210 1008 K C 1.633 178.147 176.600 -0.143 0.000 1.049 1008 K CA 1.428 57.675 56.287 -0.067 0.000 0.929 1008 K CB -0.701 31.799 32.500 0.002 0.000 0.714 1008 K HN 0.161 nan 8.250 nan 0.000 0.440 1009 F N 1.752 121.570 119.950 -0.220 0.000 2.087 1009 F HA -0.307 4.219 4.527 -0.003 0.000 0.299 1009 F C 2.001 177.616 175.800 -0.307 0.000 1.100 1009 F CA 2.201 60.045 58.000 -0.261 0.000 1.226 1009 F CB -0.494 38.409 39.000 -0.162 0.000 0.983 1009 F HN 0.225 nan 8.300 nan 0.000 0.479 1010 Q N -0.519 119.032 119.800 -0.415 0.000 2.084 1010 Q HA -0.243 4.095 4.340 -0.003 0.000 0.202 1010 Q C 1.923 177.711 176.000 -0.353 0.000 0.978 1010 Q CA 1.835 57.373 55.803 -0.443 0.000 0.844 1010 Q CB -0.413 28.097 28.738 -0.380 0.000 0.898 1010 Q HN 0.508 nan 8.270 nan 0.000 0.426 1011 D N -0.234 119.995 120.400 -0.285 0.000 2.097 1011 D HA -0.127 4.511 4.640 -0.003 0.000 0.197 1011 D C 1.797 177.920 176.300 -0.294 0.000 0.984 1011 D CA 0.883 54.745 54.000 -0.229 0.000 0.826 1011 D CB 0.038 40.738 40.800 -0.166 0.000 0.973 1011 D HN -0.009 nan 8.370 nan 0.000 0.460 1012 V N -0.025 119.661 119.914 -0.380 0.000 2.332 1012 V HA -0.320 3.798 4.120 -0.003 0.000 0.248 1012 V C 2.818 178.609 176.094 -0.504 0.000 1.055 1012 V CA 1.602 63.635 62.300 -0.445 0.000 1.038 1012 V CB -0.580 30.893 31.823 -0.584 0.000 0.651 1012 V HN 0.447 nan 8.190 nan 0.000 0.450 1013 C N -0.595 118.335 119.300 -0.616 0.000 2.413 1013 C HA -0.139 4.319 4.460 -0.003 0.000 0.277 1013 C C 2.745 177.361 174.990 -0.624 0.000 1.228 1013 C CA 1.277 59.884 59.018 -0.685 0.000 1.731 1013 C CB -0.842 26.498 27.740 -0.666 0.000 2.042 1013 C HN 0.461 nan 8.230 nan 0.000 0.468 1014 V N 0.837 120.500 119.914 -0.417 0.000 2.287 1014 V HA -0.268 3.850 4.120 -0.003 0.000 0.248 1014 V C 2.443 178.420 176.094 -0.195 0.000 1.053 1014 V CA 2.186 64.341 62.300 -0.241 0.000 1.027 1014 V CB -0.743 31.007 31.823 -0.122 0.000 0.646 1014 V HN 0.556 nan 8.190 nan 0.000 0.447 1015 K N 0.016 120.283 120.400 -0.221 0.000 2.009 1015 K HA -0.202 4.116 4.320 -0.003 0.000 0.210 1015 K C 2.278 178.768 176.600 -0.183 0.000 1.049 1015 K CA 1.703 57.882 56.287 -0.179 0.000 0.929 1015 K CB -0.415 31.976 32.500 -0.183 0.000 0.714 1015 K HN 0.440 nan 8.250 nan 0.000 0.440 1016 A N 0.223 122.868 122.820 -0.293 0.000 1.902 1016 A HA -0.207 4.111 4.320 -0.003 0.000 0.217 1016 A C 2.064 179.719 177.584 0.119 0.000 1.181 1016 A CA 1.498 53.382 52.037 -0.255 0.000 0.623 1016 A CB -0.887 17.701 19.000 -0.687 0.000 0.818 1016 A HN 0.545 nan 8.150 nan 0.000 0.443 1017 Y N 0.700 120.843 120.300 -0.263 0.000 2.097 1017 Y HA -0.199 4.349 4.550 -0.003 0.000 0.282 1017 Y C 2.025 177.841 175.900 -0.140 0.000 1.152 1017 Y CA 1.818 59.763 58.100 -0.259 0.000 1.136 1017 Y CB -0.565 37.505 38.460 -0.651 0.000 0.975 1017 Y HN 0.219 nan 8.280 nan 0.000 0.498 1018 L N -0.406 120.633 121.223 -0.306 0.000 2.042 1018 L HA -0.251 4.087 4.340 -0.003 0.000 0.210 1018 L C 2.764 179.301 176.870 -0.554 0.000 1.076 1018 L CA 1.243 55.813 54.840 -0.449 0.000 0.749 1018 L CB -1.169 40.704 42.059 -0.309 0.000 0.893 1018 L HN 0.335 nan 8.230 nan 0.000 0.432 1019 A N 0.236 122.896 122.820 -0.267 0.000 1.940 1019 A HA -0.191 4.128 4.320 -0.003 0.000 0.219 1019 A C 2.252 179.848 177.584 0.022 0.000 1.176 1019 A CA 1.547 53.545 52.037 -0.065 0.000 0.631 1019 A CB -0.664 18.494 19.000 0.262 0.000 0.814 1019 A HN 0.392 nan 8.150 nan 0.000 0.446 1020 L N -1.318 119.902 121.223 -0.005 0.000 2.093 1020 L HA -0.146 4.192 4.340 -0.003 0.000 0.208 1020 L C 2.752 179.572 176.870 -0.082 0.000 1.085 1020 L CA 1.243 56.053 54.840 -0.051 0.000 0.755 1020 L CB -0.508 41.514 42.059 -0.061 0.000 0.904 1020 L HN 0.375 nan 8.230 nan 0.000 0.435 1021 R N -0.752 119.603 120.500 -0.242 0.000 2.152 1021 R HA -0.141 4.197 4.340 -0.003 0.000 0.232 1021 R C 1.901 178.147 176.300 -0.091 0.000 1.117 1021 R CA 0.983 56.948 56.100 -0.224 0.000 0.981 1021 R CB -0.466 29.621 30.300 -0.356 0.000 0.870 1021 R HN 0.541 nan 8.270 nan 0.000 0.451 1022 H N -1.064 117.940 119.070 -0.110 0.000 2.545 1022 H HA -0.013 4.541 4.556 -0.003 0.000 0.282 1022 H C 0.555 175.632 175.328 -0.419 0.000 1.020 1022 H CA 0.379 56.300 56.048 -0.211 0.000 1.243 1022 H CB 0.245 29.902 29.762 -0.176 0.000 1.377 1022 H HN 0.275 nan 8.280 nan 0.000 0.581 1023 H N -0.721 118.366 119.070 0.029 0.000 2.562 1023 H HA 0.110 4.665 4.556 -0.002 0.000 0.249 1023 H C 1.017 176.323 175.328 -0.036 0.000 1.195 1023 H CA -0.034 56.007 56.048 -0.012 0.000 0.938 1023 H CB 0.699 30.439 29.762 -0.036 0.000 1.891 1023 H HN 0.250 nan 8.280 nan 0.000 0.595 1024 T N 1.055 115.614 114.554 0.009 0.000 2.635 1024 T HA -0.186 4.162 4.350 -0.003 0.000 0.267 1024 T C 1.893 176.596 174.700 0.004 0.000 1.040 1024 T CA 1.676 63.767 62.100 -0.014 0.000 1.156 1024 T CB 0.090 68.934 68.868 -0.041 0.000 0.863 1024 T HN 0.402 nan 8.240 nan 0.000 0.430 1025 N N 0.995 119.700 118.700 0.008 0.000 2.149 1025 N HA -0.001 4.738 4.740 -0.003 0.000 0.188 1025 N C 1.737 177.269 175.510 0.037 0.000 1.019 1025 N CA 0.548 53.611 53.050 0.020 0.000 0.857 1025 N CB -0.587 37.910 38.487 0.017 0.000 0.997 1025 N HN 0.283 nan 8.380 nan 0.000 0.426 1026 L N -0.119 121.134 121.223 0.050 0.000 1.994 1026 L HA -0.135 4.203 4.340 -0.003 0.000 0.208 1026 L C 1.560 178.468 176.870 0.063 0.000 1.071 1026 L CA 1.243 56.119 54.840 0.061 0.000 0.745 1026 L CB -0.286 41.830 42.059 0.094 0.000 0.892 1026 L HN 0.112 nan 8.230 nan 0.000 0.431 1027 L N -0.005 121.247 121.223 0.049 0.000 2.042 1027 L HA -0.271 4.067 4.340 -0.003 0.000 0.210 1027 L C 2.479 179.394 176.870 0.076 0.000 1.076 1027 L CA 1.512 56.376 54.840 0.039 0.000 0.749 1027 L CB -1.013 41.039 42.059 -0.010 0.000 0.893 1027 L HN 0.232 nan 8.230 nan 0.000 0.432 1028 I N -1.013 119.589 120.570 0.054 0.000 2.179 1028 I HA -0.291 3.878 4.170 -0.003 0.000 0.242 1028 I C 2.490 178.682 176.117 0.125 0.000 1.088 1028 I CA 1.308 62.654 61.300 0.078 0.000 1.357 1028 I CB -0.919 37.105 38.000 0.040 0.000 1.051 1028 I HN 0.211 nan 8.210 nan 0.000 0.409 1029 I N 0.831 121.453 120.570 0.087 0.000 2.315 1029 I HA -0.215 3.953 4.170 -0.003 0.000 0.248 1029 I C 2.452 178.622 176.117 0.088 0.000 1.117 1029 I CA 1.341 62.684 61.300 0.072 0.000 1.404 1029 I CB -0.401 37.628 38.000 0.049 0.000 1.071 1029 I HN 0.143 nan 8.210 nan 0.000 0.419 1030 L N -0.651 120.636 121.223 0.107 0.000 2.046 1030 L HA -0.257 4.082 4.340 -0.003 0.000 0.208 1030 L C 2.538 179.481 176.870 0.120 0.000 1.077 1030 L CA 1.331 56.235 54.840 0.106 0.000 0.747 1030 L CB -0.736 41.386 42.059 0.105 0.000 0.896 1030 L HN 0.156 nan 8.230 nan 0.000 0.432 1031 F N 0.855 120.807 119.950 0.004 0.000 2.146 1031 F HA -0.232 4.294 4.527 -0.003 0.000 0.298 1031 F C 2.854 178.658 175.800 0.007 0.000 1.096 1031 F CA 1.520 59.521 58.000 0.002 0.000 1.275 1031 F CB -0.211 38.800 39.000 0.018 0.000 1.008 1031 F HN 0.116 nan 8.300 nan 0.000 0.480 1032 S N 0.180 115.959 115.700 0.131 0.000 2.383 1032 S HA -0.245 4.223 4.470 -0.003 0.000 0.227 1032 S C 2.069 176.647 174.600 -0.036 0.000 1.026 1032 S CA 1.425 59.636 58.200 0.018 0.000 0.981 1032 S CB -0.772 62.457 63.200 0.049 0.000 0.818 1032 S HN 0.485 nan 8.310 nan 0.000 0.472 1033 M N 0.629 120.236 119.600 0.011 0.000 2.132 1033 M HA 0.018 4.496 4.480 -0.003 0.000 0.263 1033 M C 2.561 178.874 176.300 0.020 0.000 1.065 1033 M CA 1.813 57.168 55.300 0.092 0.000 1.122 1033 M CB -0.466 32.219 32.600 0.142 0.000 1.365 1033 M HN 0.433 nan 8.290 nan 0.000 0.411 1034 M N 0.763 120.316 119.600 -0.078 0.000 2.080 1034 M HA -0.231 4.248 4.480 -0.003 0.000 0.260 1034 M C 1.931 178.104 176.300 -0.210 0.000 1.068 1034 M CA 1.793 56.999 55.300 -0.156 0.000 1.109 1034 M CB -0.119 32.360 32.600 -0.201 0.000 1.342 1034 M HN 0.236 nan 8.290 nan 0.000 0.405 1035 L N -0.383 120.661 121.223 -0.298 0.000 2.083 1035 L HA -0.225 4.113 4.340 -0.003 0.000 0.209 1035 L C 2.479 179.266 176.870 -0.138 0.000 1.083 1035 L CA 1.286 55.962 54.840 -0.274 0.000 0.752 1035 L CB -0.606 41.249 42.059 -0.340 0.000 0.899 1035 L HN 0.477 nan 8.230 nan 0.000 0.433 1036 M N -0.986 118.575 119.600 -0.064 0.000 2.419 1036 M HA -0.072 4.406 4.480 -0.003 0.000 0.264 1036 M C 1.946 178.229 176.300 -0.028 0.000 1.082 1036 M CA 1.676 56.986 55.300 0.016 0.000 1.119 1036 M CB -0.190 32.507 32.600 0.161 0.000 1.398 1036 M HN 0.400 nan 8.290 nan 0.000 0.453 1037 T N -4.745 109.761 114.554 -0.081 0.000 2.959 1037 T HA 0.212 4.561 4.350 -0.003 0.000 0.254 1037 T C 1.315 175.912 174.700 -0.171 0.000 1.003 1037 T CA 0.439 62.436 62.100 -0.172 0.000 0.950 1037 T CB 0.176 68.909 68.868 -0.226 0.000 1.090 1037 T HN 0.335 nan 8.240 nan 0.000 0.503 1038 G N 1.165 109.865 108.800 -0.168 0.000 3.899 1038 G HA2 0.578 4.537 3.960 -0.003 0.000 0.293 1038 G HA3 0.578 4.537 3.960 -0.003 0.000 0.293 1038 G C -0.382 174.390 174.900 -0.214 0.000 1.054 1038 G CA -0.486 44.501 45.100 -0.189 0.000 0.846 1038 G HN 0.477 nan 8.290 nan 0.000 0.525 1039 M N 0.356 119.844 119.600 -0.186 0.000 2.263 1039 M HA 0.417 4.896 4.480 -0.003 0.000 0.295 1039 M C -2.171 174.045 176.300 -0.140 0.000 1.028 1039 M CA -1.942 53.248 55.300 -0.183 0.000 0.921 1039 M CB 3.083 35.598 32.600 -0.142 0.000 1.601 1039 M HN -0.108 nan 8.290 nan 0.000 0.440 1040 P HA -0.138 nan 4.420 nan 0.000 0.214 1040 P C -0.306 176.967 177.300 -0.044 0.000 1.162 1040 P CA 1.091 64.153 63.100 -0.062 0.000 0.879 1040 P CB -0.023 31.679 31.700 0.004 0.000 0.786 1041 Q N 0.253 120.036 119.800 -0.028 0.000 2.500 1041 Q HA 0.119 4.458 4.340 -0.003 0.000 0.215 1041 Q C 0.020 176.009 176.000 -0.018 0.000 1.062 1041 Q CA -0.048 55.744 55.803 -0.019 0.000 0.996 1041 Q CB -0.078 28.660 28.738 -0.001 0.000 1.239 1041 Q HN 0.162 nan 8.270 nan 0.000 0.578 1042 L N 1.455 122.672 121.223 -0.010 0.000 2.326 1042 L HA 0.321 4.659 4.340 -0.003 0.000 0.278 1042 L C 0.672 177.649 176.870 0.177 0.000 1.092 1042 L CA -0.570 54.314 54.840 0.074 0.000 0.810 1042 L CB 1.240 43.270 42.059 -0.048 0.000 1.153 1042 L HN 0.831 nan 8.230 nan 0.000 0.439 1043 T N -0.769 113.905 114.554 0.200 0.000 2.943 1043 T HA 0.644 4.993 4.350 -0.003 0.000 0.284 1043 T C 0.033 174.818 174.700 0.141 0.000 1.015 1043 T CA -0.727 61.452 62.100 0.132 0.000 1.042 1043 T CB 1.847 70.728 68.868 0.022 0.000 1.055 1043 T HN 0.660 nan 8.240 nan 0.000 0.500 1044 S N 0.655 116.397 115.700 0.070 0.000 2.751 1044 S HA 0.514 4.983 4.470 -0.003 0.000 0.310 1044 S C 0.644 175.220 174.600 -0.041 0.000 1.128 1044 S CA -1.114 57.064 58.200 -0.037 0.000 0.931 1044 S CB 1.577 64.819 63.200 0.069 0.000 1.177 1044 S HN 0.643 nan 8.310 nan 0.000 0.530 1045 K N 0.888 121.244 120.400 -0.073 0.000 2.147 1045 K HA -0.025 4.294 4.320 -0.003 0.000 0.205 1045 K C 1.734 178.352 176.600 0.029 0.000 1.049 1045 K CA 1.649 57.917 56.287 -0.032 0.000 0.936 1045 K CB -0.416 32.056 32.500 -0.047 0.000 0.722 1045 K HN 0.664 nan 8.250 nan 0.000 0.446 1046 E N 0.923 121.149 120.200 0.043 0.000 2.077 1046 E HA -0.171 4.178 4.350 -0.003 0.000 0.193 1046 E C 1.514 178.189 176.600 0.124 0.000 0.989 1046 E CA 1.377 57.824 56.400 0.078 0.000 0.800 1046 E CB -0.142 29.604 29.700 0.078 0.000 0.746 1046 E HN 0.265 nan 8.360 nan 0.000 0.452 1047 D N 0.213 120.685 120.400 0.120 0.000 2.117 1047 D HA -0.119 4.519 4.640 -0.003 0.000 0.198 1047 D C 1.849 178.312 176.300 0.271 0.000 0.982 1047 D CA 0.856 54.953 54.000 0.162 0.000 0.828 1047 D CB 0.037 40.895 40.800 0.096 0.000 0.967 1047 D HN 0.143 nan 8.370 nan 0.000 0.464 1048 I N 1.335 122.031 120.570 0.211 0.000 2.252 1048 I HA -0.148 4.021 4.170 -0.003 0.000 0.245 1048 I C 2.076 178.350 176.117 0.262 0.000 1.102 1048 I CA 0.896 62.373 61.300 0.295 0.000 1.385 1048 I CB -1.165 36.923 38.000 0.148 0.000 1.064 1048 I HN 0.023 nan 8.210 nan 0.000 0.414 1049 E N 0.089 120.383 120.200 0.156 0.000 2.331 1049 E HA -0.260 4.088 4.350 -0.003 0.000 0.199 1049 E C 2.028 178.664 176.600 0.060 0.000 1.008 1049 E CA 0.821 57.272 56.400 0.085 0.000 0.843 1049 E CB -0.340 29.393 29.700 0.056 0.000 0.761 1049 E HN 0.544 nan 8.360 nan 0.000 0.507 1050 Y N 1.182 121.497 120.300 0.026 0.000 2.128 1050 Y HA -0.295 4.254 4.550 -0.003 0.000 0.284 1050 Y C 2.206 178.000 175.900 -0.177 0.000 1.154 1050 Y CA 1.624 59.700 58.100 -0.041 0.000 1.149 1050 Y CB -0.221 38.244 38.460 0.008 0.000 0.976 1050 Y HN 0.029 nan 8.280 nan 0.000 0.505 1051 I N 0.769 121.212 120.570 -0.212 0.000 2.264 1051 I HA -0.301 3.868 4.170 -0.003 0.000 0.248 1051 I C 2.690 178.629 176.117 -0.296 0.000 1.111 1051 I CA 1.841 62.876 61.300 -0.441 0.000 1.382 1051 I CB -0.546 37.041 38.000 -0.690 0.000 1.060 1051 I HN 0.269 nan 8.210 nan 0.000 0.418 1052 R N 0.229 120.617 120.500 -0.187 0.000 2.096 1052 R HA -0.177 4.162 4.340 -0.003 0.000 0.235 1052 R C 1.865 178.060 176.300 -0.175 0.000 1.127 1052 R CA 1.980 57.999 56.100 -0.136 0.000 0.968 1052 R CB -0.309 29.947 30.300 -0.074 0.000 0.861 1052 R HN 0.415 nan 8.270 nan 0.000 0.440 1053 D N 0.017 120.274 120.400 -0.239 0.000 2.162 1053 D HA -0.065 4.573 4.640 -0.003 0.000 0.203 1053 D C 1.699 177.822 176.300 -0.294 0.000 0.967 1053 D CA 1.325 55.175 54.000 -0.251 0.000 0.840 1053 D CB -0.098 40.561 40.800 -0.235 0.000 0.972 1053 D HN 0.385 nan 8.370 nan 0.000 0.482 1054 A N 0.653 123.206 122.820 -0.445 0.000 2.019 1054 A HA -0.072 4.246 4.320 -0.003 0.000 0.219 1054 A C 2.119 179.774 177.584 0.119 0.000 1.164 1054 A CA 0.767 52.627 52.037 -0.296 0.000 0.644 1054 A CB -0.494 18.088 19.000 -0.698 0.000 0.805 1054 A HN 0.200 nan 8.150 nan 0.000 0.449 1055 L N 0.472 121.679 121.223 -0.027 0.000 2.628 1055 L HA 0.045 4.384 4.340 -0.003 0.000 0.229 1055 L C 0.828 177.660 176.870 -0.064 0.000 1.137 1055 L CA 0.550 55.401 54.840 0.019 0.000 0.909 1055 L CB -0.452 41.564 42.059 -0.072 0.000 1.137 1055 L HN 0.571 nan 8.230 nan 0.000 0.470 1056 T N -2.246 112.225 114.554 -0.138 0.000 3.549 1056 T HA -0.176 4.172 4.350 -0.003 0.000 0.398 1056 T C 0.155 174.780 174.700 -0.125 0.000 0.766 1056 T CA -0.131 61.847 62.100 -0.203 0.000 2.007 1056 T CB -2.926 65.808 68.868 -0.223 0.000 1.727 1056 T HN 0.001 nan 8.240 nan 0.000 0.693 1057 V N 1.258 121.107 119.914 -0.108 0.000 2.585 1057 V HA 0.507 4.625 4.120 -0.003 0.000 0.296 1057 V C 2.041 178.099 176.094 -0.060 0.000 1.035 1057 V CA 1.016 63.270 62.300 -0.077 0.000 1.084 1057 V CB 0.337 32.121 31.823 -0.065 0.000 0.953 1057 V HN 1.563 nan 8.190 nan 0.000 0.483 1058 G N 4.079 112.852 108.800 -0.045 0.000 2.317 1058 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.227 1058 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.227 1058 G C 0.327 175.211 174.900 -0.028 0.000 1.042 1058 G CA 0.177 45.258 45.100 -0.032 0.000 0.623 1058 G HN 0.637 nan 8.290 nan 0.000 0.509 1059 K N 1.963 122.341 120.400 -0.037 0.000 2.219 1059 K HA 0.582 4.901 4.320 -0.003 0.000 0.258 1059 K C 1.130 177.722 176.600 -0.014 0.000 1.008 1059 K CA 0.549 56.822 56.287 -0.023 0.000 0.928 1059 K CB 0.802 33.282 32.500 -0.032 0.000 0.983 1059 K HN 0.627 nan 8.250 nan 0.000 0.484 1060 S N 0.359 116.060 115.700 0.003 0.000 2.652 1060 S HA 0.165 4.633 4.470 -0.003 0.000 0.270 1060 S C 0.832 175.441 174.600 0.015 0.000 1.243 1060 S CA -0.562 57.643 58.200 0.008 0.000 0.999 1060 S CB 1.071 64.279 63.200 0.015 0.000 0.973 1060 S HN 0.576 nan 8.310 nan 0.000 0.544 1061 E N 0.558 120.767 120.200 0.014 0.000 2.097 1061 E HA -0.194 4.155 4.350 -0.003 0.000 0.196 1061 E C 1.780 178.405 176.600 0.041 0.000 1.000 1061 E CA 1.347 57.756 56.400 0.015 0.000 0.804 1061 E CB -0.111 29.600 29.700 0.018 0.000 0.740 1061 E HN 0.637 nan 8.360 nan 0.000 0.454 1062 E N 0.905 121.129 120.200 0.041 0.000 2.038 1062 E HA -0.197 4.152 4.350 -0.003 0.000 0.195 1062 E C 1.879 178.525 176.600 0.078 0.000 1.000 1062 E CA 0.905 57.337 56.400 0.052 0.000 0.803 1062 E CB -0.385 29.339 29.700 0.040 0.000 0.750 1062 E HN 0.244 nan 8.360 nan 0.000 0.448 1063 D N 0.047 120.492 120.400 0.075 0.000 2.149 1063 D HA -0.116 4.522 4.640 -0.003 0.000 0.198 1063 D C 1.754 178.154 176.300 0.166 0.000 0.990 1063 D CA 1.297 55.358 54.000 0.102 0.000 0.839 1063 D CB 0.100 40.944 40.800 0.072 0.000 0.948 1063 D HN 0.111 nan 8.370 nan 0.000 0.460 1064 A N 1.048 123.960 122.820 0.154 0.000 1.902 1064 A HA -0.188 4.130 4.320 -0.003 0.000 0.217 1064 A C 2.191 180.007 177.584 0.387 0.000 1.181 1064 A CA 1.889 54.085 52.037 0.266 0.000 0.623 1064 A CB -0.541 18.537 19.000 0.130 0.000 0.818 1064 A HN 0.251 nan 8.150 nan 0.000 0.443 1065 K N -0.116 120.426 120.400 0.236 0.000 2.063 1065 K HA -0.203 4.115 4.320 -0.003 0.000 0.208 1065 K C 1.949 178.667 176.600 0.197 0.000 1.048 1065 K CA 1.886 58.297 56.287 0.206 0.000 0.928 1065 K CB -0.166 32.397 32.500 0.103 0.000 0.713 1065 K HN 0.389 nan 8.250 nan 0.000 0.442 1066 K N -0.525 119.976 120.400 0.169 0.000 2.097 1066 K HA -0.167 4.152 4.320 -0.003 0.000 0.205 1066 K C 1.984 178.671 176.600 0.145 0.000 1.050 1066 K CA 1.491 57.856 56.287 0.130 0.000 0.938 1066 K CB -0.335 32.229 32.500 0.106 0.000 0.718 1066 K HN 0.233 nan 8.250 nan 0.000 0.442 1067 Y N 0.143 120.500 120.300 0.095 0.000 2.097 1067 Y HA -0.294 4.254 4.550 -0.003 0.000 0.282 1067 Y C 1.971 177.855 175.900 -0.027 0.000 1.152 1067 Y CA 1.629 59.769 58.100 0.067 0.000 1.136 1067 Y CB -0.283 38.265 38.460 0.146 0.000 0.975 1067 Y HN 0.019 nan 8.280 nan 0.000 0.498 1068 F N 0.183 120.085 119.950 -0.079 0.000 2.134 1068 F HA -0.221 4.305 4.527 -0.003 0.000 0.299 1068 F C 2.029 177.666 175.800 -0.272 0.000 1.097 1068 F CA 1.600 59.361 58.000 -0.397 0.000 1.264 1068 F CB -0.467 38.204 39.000 -0.549 0.000 1.001 1068 F HN 0.032 nan 8.300 nan 0.000 0.479 1069 L N -0.253 120.984 121.223 0.023 0.000 2.127 1069 L HA -0.257 4.082 4.340 -0.003 0.000 0.211 1069 L C 1.920 178.732 176.870 -0.096 0.000 1.089 1069 L CA 1.310 56.147 54.840 -0.006 0.000 0.757 1069 L CB -0.753 41.327 42.059 0.034 0.000 0.899 1069 L HN 0.094 nan 8.230 nan 0.000 0.434 1070 D N -0.734 119.564 120.400 -0.170 0.000 2.144 1070 D HA -0.152 4.486 4.640 -0.003 0.000 0.200 1070 D C 2.380 178.496 176.300 -0.307 0.000 0.978 1070 D CA 0.818 54.697 54.000 -0.201 0.000 0.833 1070 D CB -0.087 40.583 40.800 -0.217 0.000 0.961 1070 D HN 0.269 nan 8.370 nan 0.000 0.470 1071 Q N 0.176 119.667 119.800 -0.515 0.000 2.119 1071 Q HA -0.024 4.314 4.340 -0.003 0.000 0.201 1071 Q C 2.513 178.214 176.000 -0.499 0.000 0.972 1071 Q CA 0.499 55.914 55.803 -0.647 0.000 0.847 1071 Q CB -0.147 27.959 28.738 -1.053 0.000 0.903 1071 Q HN 0.434 nan 8.270 nan 0.000 0.433 1072 I N 0.671 121.086 120.570 -0.258 0.000 2.394 1072 I HA -0.223 3.946 4.170 -0.003 0.000 0.251 1072 I C 2.098 178.241 176.117 0.043 0.000 1.136 1072 I CA 0.886 62.224 61.300 0.062 0.000 1.425 1072 I CB -0.067 38.047 38.000 0.191 0.000 1.079 1072 I HN 0.089 nan 8.210 nan 0.000 0.425 1073 E N 0.622 120.802 120.200 -0.033 0.000 2.152 1073 E HA -0.101 4.248 4.350 -0.003 0.000 0.192 1073 E C 2.205 178.763 176.600 -0.070 0.000 0.983 1073 E CA 0.770 57.162 56.400 -0.013 0.000 0.818 1073 E CB -0.097 29.593 29.700 -0.018 0.000 0.758 1073 E HN 0.222 nan 8.360 nan 0.000 0.467 1074 V N -0.098 119.729 119.914 -0.145 0.000 2.392 1074 V HA -0.350 3.769 4.120 -0.003 0.000 0.249 1074 V C 2.387 178.396 176.094 -0.142 0.000 1.059 1074 V CA 1.767 63.976 62.300 -0.152 0.000 1.051 1074 V CB -0.671 31.026 31.823 -0.211 0.000 0.658 1074 V HN 0.397 nan 8.190 nan 0.000 0.455 1075 C N -0.243 118.952 119.300 -0.176 0.000 2.425 1075 C HA -0.097 4.361 4.460 -0.003 0.000 0.277 1075 C C 2.904 177.834 174.990 -0.100 0.000 1.280 1075 C CA 0.611 59.545 59.018 -0.140 0.000 1.744 1075 C CB -1.171 26.505 27.740 -0.107 0.000 1.989 1075 C HN 0.494 nan 8.230 nan 0.000 0.491 1076 R N 1.062 121.522 120.500 -0.066 0.000 2.075 1076 R HA -0.101 4.237 4.340 -0.003 0.000 0.232 1076 R C 1.591 177.846 176.300 -0.075 0.000 1.126 1076 R CA 1.412 57.466 56.100 -0.076 0.000 0.963 1076 R CB -0.643 29.627 30.300 -0.050 0.000 0.858 1076 R HN 0.609 nan 8.270 nan 0.000 0.435 1077 D N 0.690 121.055 120.400 -0.058 0.000 2.178 1077 D HA -0.107 4.532 4.640 -0.003 0.000 0.202 1077 D C 1.696 177.972 176.300 -0.039 0.000 0.974 1077 D CA 1.046 55.020 54.000 -0.044 0.000 0.841 1077 D CB 0.006 40.784 40.800 -0.037 0.000 0.953 1077 D HN -0.006 nan 8.370 nan 0.000 0.478 1078 K N 0.377 120.746 120.400 -0.051 0.000 2.155 1078 K HA 0.072 4.391 4.320 -0.003 0.000 0.203 1078 K C 1.384 177.967 176.600 -0.028 0.000 1.052 1078 K CA 0.753 57.023 56.287 -0.029 0.000 0.948 1078 K CB -0.472 32.009 32.500 -0.033 0.000 0.728 1078 K HN 0.192 nan 8.250 nan 0.000 0.448 1079 G N 0.039 108.779 108.800 -0.100 0.000 2.622 1079 G HA2 -0.343 3.616 3.960 -0.003 0.000 0.307 1079 G HA3 -0.343 3.616 3.960 -0.003 0.000 0.307 1079 G C 0.674 175.447 174.900 -0.211 0.000 1.226 1079 G CA 0.561 45.553 45.100 -0.181 0.000 0.997 1079 G HN 0.447 nan 8.290 nan 0.000 0.551 1080 W N 1.264 122.592 121.300 0.047 0.000 3.197 1080 W HA 0.301 4.959 4.660 -0.003 0.000 0.274 1080 W C 2.801 179.438 176.519 0.197 0.000 1.297 1080 W CA 0.683 58.103 57.345 0.126 0.000 1.662 1080 W CB -0.184 29.393 29.460 0.195 0.000 1.106 1080 W HN 0.558 nan 8.180 nan 0.000 0.663 1081 T N 0.925 115.665 114.554 0.310 0.000 2.594 1081 T HA -0.307 4.041 4.350 -0.003 0.000 0.266 1081 T C 1.783 176.680 174.700 0.328 0.000 1.070 1081 T CA 2.198 64.457 62.100 0.266 0.000 1.166 1081 T CB -0.871 68.084 68.868 0.145 0.000 0.862 1081 T HN -0.038 nan 8.240 nan 0.000 0.436 1082 V N 1.360 121.441 119.914 0.278 0.000 2.358 1082 V HA -0.138 3.980 4.120 -0.003 0.000 0.246 1082 V C 2.774 179.185 176.094 0.528 0.000 1.047 1082 V CA 1.452 63.942 62.300 0.316 0.000 1.035 1082 V CB -0.608 31.385 31.823 0.284 0.000 0.658 1082 V HN 0.414 nan 8.190 nan 0.000 0.452 1083 Q N -1.008 119.124 119.800 0.555 0.000 2.167 1083 Q HA -0.160 4.179 4.340 -0.003 0.000 0.202 1083 Q C 2.096 178.576 176.000 0.799 0.000 0.970 1083 Q CA 1.556 57.753 55.803 0.657 0.000 0.855 1083 Q CB -0.454 28.566 28.738 0.470 0.000 0.911 1083 Q HN 0.663 nan 8.270 nan 0.000 0.438 1084 F N 2.167 122.463 119.950 0.577 0.000 2.186 1084 F HA -0.146 4.379 4.527 -0.003 0.000 0.299 1084 F C 1.624 177.634 175.800 0.351 0.000 1.090 1084 F CA 1.140 59.395 58.000 0.424 0.000 1.307 1084 F CB -0.097 39.034 39.000 0.219 0.000 1.019 1084 F HN 0.078 nan 8.300 nan 0.000 0.489 1085 N N -0.690 118.177 118.700 0.279 0.000 2.244 1085 N HA -0.171 4.568 4.740 -0.003 0.000 0.183 1085 N C 1.566 177.094 175.510 0.029 0.000 1.016 1085 N CA 1.421 54.502 53.050 0.052 0.000 0.866 1085 N CB -0.717 37.766 38.487 -0.006 0.000 0.980 1085 N HN 0.409 nan 8.380 nan 0.000 0.430 1086 W N 0.002 121.409 121.300 0.178 0.000 2.381 1086 W HA -0.027 4.632 4.660 -0.002 0.000 0.301 1086 W C 1.994 178.485 176.519 -0.046 0.000 1.205 1086 W CA 0.359 57.772 57.345 0.113 0.000 1.285 1086 W CB -0.577 29.030 29.460 0.244 0.000 1.133 1086 W HN 0.002 nan 8.180 nan 0.000 0.521 1087 F N 0.516 120.569 119.950 0.172 0.000 2.102 1087 F HA -0.208 4.318 4.527 -0.003 0.000 0.298 1087 F C 2.042 177.772 175.800 -0.117 0.000 1.105 1087 F CA 1.800 59.817 58.000 0.029 0.000 1.239 1087 F CB -0.673 38.418 39.000 0.153 0.000 0.991 1087 F HN -0.272 nan 8.300 nan 0.000 0.474 1088 L N -0.640 120.587 121.223 0.006 0.000 2.131 1088 L HA -0.257 4.081 4.340 -0.003 0.000 0.210 1088 L C 2.595 179.421 176.870 -0.073 0.000 1.092 1088 L CA 1.788 56.563 54.840 -0.107 0.000 0.759 1088 L CB -1.037 40.907 42.059 -0.192 0.000 0.903 1088 L HN 0.377 nan 8.230 nan 0.000 0.435 1089 H N -0.195 118.778 119.070 -0.163 0.000 2.266 1089 H HA -0.108 4.446 4.556 -0.002 0.000 0.308 1089 H C 2.275 177.513 175.328 -0.150 0.000 1.057 1089 H CA 0.990 56.947 56.048 -0.151 0.000 1.330 1089 H CB 0.315 29.972 29.762 -0.176 0.000 1.400 1089 H HN 0.069 nan 8.280 nan 0.000 0.503 1090 L N 0.707 121.742 121.223 -0.313 0.000 2.083 1090 L HA -0.140 4.199 4.340 -0.003 0.000 0.209 1090 L C 2.532 179.190 176.870 -0.354 0.000 1.083 1090 L CA 0.898 55.500 54.840 -0.396 0.000 0.752 1090 L CB -0.445 41.401 42.059 -0.355 0.000 0.899 1090 L HN 0.255 nan 8.230 nan 0.000 0.433 1091 V N -1.758 117.884 119.914 -0.454 0.000 2.685 1091 V HA -0.030 4.088 4.120 -0.003 0.000 0.244 1091 V C 1.765 177.633 176.094 -0.377 0.000 1.054 1091 V CA 0.748 62.736 62.300 -0.520 0.000 1.076 1091 V CB -0.151 31.038 31.823 -1.056 0.000 0.725 1091 V HN 0.268 nan 8.190 nan 0.000 0.467 1092 L N 0.586 121.614 121.223 -0.324 0.000 2.640 1092 L HA 0.449 4.788 4.340 -0.003 0.000 0.230 1092 L C 1.738 178.547 176.870 -0.101 0.000 1.123 1092 L CA 0.674 55.409 54.840 -0.176 0.000 0.900 1092 L CB -0.263 41.719 42.059 -0.127 0.000 1.146 1092 L HN 0.506 nan 8.230 nan 0.000 0.484 1093 G N 1.420 110.160 108.800 -0.100 0.000 2.187 1093 G HA2 -0.308 3.651 3.960 -0.003 0.000 0.261 1093 G HA3 -0.308 3.651 3.960 -0.003 0.000 0.261 1093 G C 0.500 175.414 174.900 0.023 0.000 1.000 1093 G CA 0.461 45.542 45.100 -0.032 0.000 0.718 1093 G HN 0.347 nan 8.290 nan 0.000 0.519 1094 I N 0.000 120.577 120.570 0.012 0.000 2.984 1094 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 1094 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 1094 I CB 0.000 37.983 38.000 -0.029 0.000 1.214 1094 I HN 0.000 nan 8.210 nan 0.000 0.494