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 1e8y_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM AXXXXXXXXX XXXXEQDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXCDRKFR VKIRGIDIPV LPRNTDLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXLLY YVNLLLIDHR FLLRRGEYVL HMWQISGXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN XXHPIAXXXX XXXXXXXXXX DATA SEQUENCE XRAEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL SAEKYDVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGXF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHXXXXX XXXXXXXXER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 143 M HA 0.000 nan 4.480 nan 0.000 0.227 143 M C 0.000 176.309 176.300 0.016 0.000 1.140 143 M CA 0.000 55.309 55.300 0.015 0.000 0.988 143 M CB 0.000 32.608 32.600 0.013 0.000 1.302 144 S N 1.509 117.216 115.700 0.011 0.000 2.550 144 S HA 0.150 4.627 4.470 0.012 0.000 0.285 144 S C 1.144 175.757 174.600 0.021 0.000 1.326 144 S CA 0.421 58.628 58.200 0.012 0.000 1.037 144 S CB 0.581 63.783 63.200 0.004 0.000 0.838 144 S HN 0.799 nan 8.310 nan 0.000 0.519 145 E N 1.412 121.624 120.200 0.020 0.000 2.265 145 E HA -0.155 4.202 4.350 0.012 0.000 0.196 145 E C 1.797 178.420 176.600 0.038 0.000 0.996 145 E CA 0.740 57.155 56.400 0.026 0.000 0.832 145 E CB 0.020 29.732 29.700 0.021 0.000 0.756 145 E HN 0.612 nan 8.360 nan 0.000 0.491 146 E N 0.494 120.715 120.200 0.035 0.000 2.031 146 E HA -0.148 4.209 4.350 0.012 0.000 0.193 146 E C 2.065 178.716 176.600 0.086 0.000 0.994 146 E CA 1.541 57.969 56.400 0.047 0.000 0.800 146 E CB -0.144 29.567 29.700 0.017 0.000 0.752 146 E HN 0.289 nan 8.360 nan 0.000 0.447 147 S N 0.254 115.996 115.700 0.069 0.000 2.383 147 S HA -0.224 4.253 4.470 0.012 0.000 0.229 147 S C 2.010 176.702 174.600 0.153 0.000 1.030 147 S CA 1.392 59.660 58.200 0.113 0.000 1.002 147 S CB -0.375 62.862 63.200 0.062 0.000 0.829 147 S HN 0.234 nan 8.310 nan 0.000 0.467 148 Q N 1.364 121.220 119.800 0.093 0.000 2.079 148 Q HA 0.146 4.493 4.340 0.012 0.000 0.200 148 Q C 2.628 178.671 176.000 0.072 0.000 0.974 148 Q CA 1.473 57.318 55.803 0.070 0.000 0.840 148 Q CB -0.603 28.160 28.738 0.042 0.000 0.898 148 Q HN 0.761 nan 8.270 nan 0.000 0.430 149 A N 0.156 123.027 122.820 0.085 0.000 1.933 149 A HA -0.192 4.135 4.320 0.012 0.000 0.218 149 A C 1.855 179.501 177.584 0.103 0.000 1.175 149 A CA 1.111 53.194 52.037 0.077 0.000 0.628 149 A CB -0.682 18.366 19.000 0.081 0.000 0.814 149 A HN 0.460 nan 8.150 nan 0.000 0.444 150 F N 0.385 120.340 119.950 0.008 0.000 2.113 150 F HA -0.123 4.410 4.527 0.012 0.000 0.297 150 F C 2.363 178.169 175.800 0.010 0.000 1.103 150 F CA 2.093 60.099 58.000 0.010 0.000 1.248 150 F CB -0.343 38.662 39.000 0.008 0.000 0.999 150 F HN 0.291 nan 8.300 nan 0.000 0.475 151 Q N 1.041 120.838 119.800 -0.004 0.000 2.170 151 Q HA -0.223 4.124 4.340 0.012 0.000 0.203 151 Q C 2.379 178.303 176.000 -0.126 0.000 0.976 151 Q CA 1.932 57.684 55.803 -0.085 0.000 0.858 151 Q CB -0.540 28.211 28.738 0.020 0.000 0.907 151 Q HN 0.518 nan 8.270 nan 0.000 0.433 152 R N -0.552 119.902 120.500 -0.078 0.000 2.092 152 R HA -0.137 4.210 4.340 0.012 0.000 0.231 152 R C 2.217 178.458 176.300 -0.100 0.000 1.119 152 R CA 1.557 57.616 56.100 -0.069 0.000 0.970 152 R CB -0.174 30.109 30.300 -0.029 0.000 0.864 152 R HN 0.414 nan 8.270 nan 0.000 0.440 153 Q N 0.468 120.179 119.800 -0.149 0.000 2.049 153 Q HA -0.112 4.235 4.340 0.012 0.000 0.198 153 Q C 2.243 178.126 176.000 -0.196 0.000 0.971 153 Q CA 1.349 57.061 55.803 -0.152 0.000 0.833 153 Q CB 0.024 28.664 28.738 -0.164 0.000 0.896 153 Q HN 0.425 nan 8.270 nan 0.000 0.434 154 L N -0.017 121.008 121.223 -0.329 0.000 2.012 154 L HA -0.215 4.132 4.340 0.012 0.000 0.210 154 L C 2.536 179.321 176.870 -0.142 0.000 1.073 154 L CA 1.641 56.323 54.840 -0.264 0.000 0.748 154 L CB -0.845 41.017 42.059 -0.329 0.000 0.891 154 L HN 0.230 nan 8.230 nan 0.000 0.431 155 T N 0.004 114.483 114.554 -0.126 0.000 2.685 155 T HA -0.268 4.089 4.350 0.012 0.000 0.268 155 T C 1.909 176.570 174.700 -0.065 0.000 1.034 155 T CA 1.633 63.682 62.100 -0.085 0.000 1.149 155 T CB -0.296 68.521 68.868 -0.085 0.000 0.860 155 T HN 0.494 nan 8.240 nan 0.000 0.449 156 A N 0.366 123.149 122.820 -0.061 0.000 2.066 156 A HA 0.158 4.485 4.320 0.012 0.000 0.218 156 A C 2.243 179.814 177.584 -0.021 0.000 1.157 156 A CA 0.844 52.860 52.037 -0.035 0.000 0.670 156 A CB -0.540 18.445 19.000 -0.025 0.000 0.804 156 A HN 0.482 nan 8.150 nan 0.000 0.453 157 L N -0.957 120.249 121.223 -0.028 0.000 2.095 157 L HA -0.037 4.310 4.340 0.012 0.000 0.204 157 L C 2.360 179.174 176.870 -0.094 0.000 1.080 157 L CA 0.849 55.697 54.840 0.012 0.000 0.759 157 L CB -0.330 41.763 42.059 0.056 0.000 0.914 157 L HN 0.340 nan 8.230 nan 0.000 0.439 158 I N -0.542 119.958 120.570 -0.117 0.000 2.233 158 I HA -0.139 4.038 4.170 0.012 0.000 0.243 158 I C 1.704 177.756 176.117 -0.108 0.000 1.093 158 I CA 1.322 62.524 61.300 -0.163 0.000 1.380 158 I CB -0.381 37.573 38.000 -0.076 0.000 1.067 158 I HN 0.465 nan 8.210 nan 0.000 0.413 159 G N -0.482 108.297 108.800 -0.034 0.000 2.159 159 G HA2 -0.301 3.666 3.960 0.012 0.000 0.227 159 G HA3 -0.301 3.666 3.960 0.012 0.000 0.227 159 G C -0.088 174.874 174.900 0.103 0.000 0.986 159 G CA -0.090 45.019 45.100 0.015 0.000 0.651 159 G HN 0.320 nan 8.290 nan 0.000 0.523 160 Y N 0.273 120.535 120.300 -0.063 0.000 2.544 160 Y HA 0.562 5.120 4.550 0.012 0.000 0.342 160 Y C -1.501 174.371 175.900 -0.048 0.000 1.062 160 Y CA -1.301 56.772 58.100 -0.045 0.000 1.023 160 Y CB 2.140 40.576 38.460 -0.040 0.000 1.308 160 Y HN 0.008 nan 8.280 nan 0.000 0.457 161 D N 3.876 123.947 120.400 -0.547 0.000 2.468 161 D HA 0.153 4.800 4.640 0.012 0.000 0.218 161 D C 0.985 177.167 176.300 -0.198 0.000 1.155 161 D CA 0.048 53.864 54.000 -0.307 0.000 0.924 161 D CB 0.892 41.510 40.800 -0.304 0.000 1.029 161 D HN 0.497 nan 8.370 nan 0.000 0.515 162 V N 2.021 121.943 119.914 0.013 0.000 3.330 162 V HA -0.090 4.037 4.120 0.012 0.000 0.273 162 V C 1.538 177.650 176.094 0.031 0.000 1.179 162 V CA 1.694 64.049 62.300 0.091 0.000 1.174 162 V CB -1.425 30.446 31.823 0.080 0.000 0.794 162 V HN 0.597 nan 8.190 nan 0.000 0.527 163 T N -2.740 111.802 114.554 -0.019 0.000 3.105 163 T HA 0.099 4.456 4.350 0.012 0.000 0.253 163 T C 0.563 175.246 174.700 -0.029 0.000 1.047 163 T CA 0.125 62.218 62.100 -0.013 0.000 0.944 163 T CB -0.440 68.418 68.868 -0.016 0.000 1.016 163 T HN 0.700 nan 8.240 nan 0.000 0.544 164 D N 1.954 122.319 120.400 -0.059 0.000 2.308 164 D HA 0.132 4.779 4.640 0.012 0.000 0.251 164 D C 0.762 177.059 176.300 -0.006 0.000 1.127 164 D CA -0.385 53.570 54.000 -0.075 0.000 0.876 164 D CB 1.813 42.493 40.800 -0.200 0.000 1.176 164 D HN 0.265 nan 8.370 nan 0.000 0.446 165 V N 1.156 121.068 119.914 -0.003 0.000 2.988 165 V HA 0.178 4.305 4.120 0.012 0.000 0.356 165 V C 1.406 177.509 176.094 0.015 0.000 1.380 165 V CA -0.463 61.849 62.300 0.020 0.000 1.184 165 V CB 0.048 31.887 31.823 0.026 0.000 1.204 165 V HN 0.387 nan 8.190 nan 0.000 0.530 166 S N 1.893 117.595 115.700 0.004 0.000 2.383 166 S HA -0.050 4.427 4.470 0.012 0.000 0.227 166 S C 1.367 175.965 174.600 -0.003 0.000 1.026 166 S CA 2.039 60.235 58.200 -0.006 0.000 0.981 166 S CB -0.257 62.929 63.200 -0.023 0.000 0.818 166 S HN 0.773 nan 8.310 nan 0.000 0.472 167 N N 1.047 119.757 118.700 0.017 0.000 2.735 167 N HA 0.255 5.002 4.740 0.012 0.000 0.312 167 N C -0.898 174.609 175.510 -0.005 0.000 1.843 167 N CA -0.305 52.746 53.050 0.002 0.000 0.945 167 N CB 0.609 39.101 38.487 0.009 0.000 1.299 167 N HN 0.081 nan 8.380 nan 0.000 0.489 168 V N -1.296 118.621 119.914 0.005 0.000 3.102 168 V HA 0.588 4.715 4.120 0.012 0.000 0.312 168 V C 0.440 176.571 176.094 0.061 0.000 1.135 168 V CA -0.752 61.532 62.300 -0.025 0.000 1.022 168 V CB 1.871 33.701 31.823 0.011 0.000 1.056 168 V HN 0.481 nan 8.190 nan 0.000 0.436 169 H N -0.582 118.558 119.070 0.117 0.000 3.182 169 H HA 0.513 5.076 4.556 0.011 0.000 0.254 169 H C -0.628 174.800 175.328 0.166 0.000 1.197 169 H CA 0.194 56.330 56.048 0.147 0.000 1.061 169 H CB 0.922 30.806 29.762 0.204 0.000 1.722 169 H HN 0.863 nan 8.280 nan 0.000 0.662 170 D N 0.376 120.978 120.400 0.336 0.000 2.865 170 D HA -0.020 4.627 4.640 0.012 0.000 0.343 170 D C -0.617 175.801 176.300 0.196 0.000 1.372 170 D CA -0.426 53.763 54.000 0.315 0.000 0.862 170 D CB 0.220 41.284 40.800 0.440 0.000 1.425 170 D HN 0.055 nan 8.370 nan 0.000 0.501 171 D N -1.245 119.279 120.400 0.206 0.000 2.615 171 D HA 0.092 4.739 4.640 0.012 0.000 0.236 171 D C 0.761 177.065 176.300 0.007 0.000 1.233 171 D CA -0.279 53.807 54.000 0.144 0.000 0.829 171 D CB 0.278 41.196 40.800 0.197 0.000 1.024 171 D HN 0.565 nan 8.370 nan 0.000 0.490 172 E N 0.470 120.568 120.200 -0.169 0.000 2.085 172 E HA -0.163 4.194 4.350 0.012 0.000 0.194 172 E C 1.745 178.393 176.600 0.080 0.000 0.994 172 E CA 0.867 57.019 56.400 -0.414 0.000 0.801 172 E CB 0.069 29.643 29.700 -0.210 0.000 0.743 172 E HN 0.346 nan 8.360 nan 0.000 0.453 173 L N 0.756 122.048 121.223 0.115 0.000 2.017 173 L HA -0.189 4.158 4.340 0.012 0.000 0.208 173 L C 2.720 179.633 176.870 0.072 0.000 1.073 173 L CA 1.064 55.929 54.840 0.042 0.000 0.745 173 L CB -0.422 41.608 42.059 -0.048 0.000 0.894 173 L HN 0.107 nan 8.230 nan 0.000 0.432 174 E N -0.163 120.094 120.200 0.094 0.000 2.077 174 E HA -0.236 4.121 4.350 0.012 0.000 0.193 174 E C 2.022 178.701 176.600 0.132 0.000 0.989 174 E CA 1.221 57.682 56.400 0.102 0.000 0.800 174 E CB -0.258 29.510 29.700 0.114 0.000 0.746 174 E HN 0.370 nan 8.360 nan 0.000 0.452 175 F N 1.586 121.556 119.950 0.033 0.000 2.095 175 F HA -0.230 4.304 4.527 0.011 0.000 0.298 175 F C 2.312 178.152 175.800 0.066 0.000 1.104 175 F CA 1.922 59.963 58.000 0.068 0.000 1.232 175 F CB -0.466 38.575 39.000 0.068 0.000 0.987 175 F HN -0.051 nan 8.300 nan 0.000 0.475 176 T N 0.797 115.425 114.554 0.123 0.000 2.737 176 T HA -0.158 4.199 4.350 0.012 0.000 0.265 176 T C 1.986 176.676 174.700 -0.017 0.000 1.038 176 T CA 1.607 63.737 62.100 0.050 0.000 1.144 176 T CB -0.288 68.672 68.868 0.154 0.000 0.866 176 T HN 0.250 nan 8.240 nan 0.000 0.434 177 R N 0.929 121.433 120.500 0.008 0.000 2.103 177 R HA -0.085 4.262 4.340 0.012 0.000 0.242 177 R C 2.694 178.979 176.300 -0.025 0.000 1.142 177 R CA 1.449 57.551 56.100 0.003 0.000 0.960 177 R CB -0.262 30.050 30.300 0.020 0.000 0.858 177 R HN 0.387 nan 8.270 nan 0.000 0.439 178 R N -0.376 120.087 120.500 -0.061 0.000 2.092 178 R HA -0.039 4.308 4.340 0.012 0.000 0.231 178 R C 2.464 178.686 176.300 -0.131 0.000 1.119 178 R CA 1.171 57.220 56.100 -0.085 0.000 0.970 178 R CB -0.413 29.829 30.300 -0.098 0.000 0.864 178 R HN 0.343 nan 8.270 nan 0.000 0.440 179 G N 1.173 109.840 108.800 -0.221 0.000 2.432 179 G HA2 -0.193 3.774 3.960 0.012 0.000 0.219 179 G HA3 -0.193 3.774 3.960 0.012 0.000 0.219 179 G C 1.360 176.210 174.900 -0.083 0.000 1.135 179 G CA 0.367 45.341 45.100 -0.211 0.000 0.767 179 G HN 0.147 nan 8.290 nan 0.000 0.550 180 L N 0.608 121.805 121.223 -0.043 0.000 2.552 180 L HA 0.052 4.399 4.340 0.012 0.000 0.227 180 L C 2.681 179.553 176.870 0.003 0.000 1.146 180 L CA -0.312 54.529 54.840 0.001 0.000 0.858 180 L CB -0.046 42.029 42.059 0.026 0.000 0.969 180 L HN 0.046 nan 8.230 nan 0.000 0.451 181 V N -0.153 119.753 119.914 -0.012 0.000 2.255 181 V HA -0.328 3.799 4.120 0.012 0.000 0.247 181 V C 2.557 178.648 176.094 -0.006 0.000 1.051 181 V CA 2.523 64.819 62.300 -0.006 0.000 1.018 181 V CB -0.692 31.123 31.823 -0.014 0.000 0.641 181 V HN 0.464 nan 8.190 nan 0.000 0.445 182 T N 0.069 114.617 114.554 -0.010 0.000 2.674 182 T HA -0.111 4.246 4.350 0.012 0.000 0.265 182 T C 0.009 174.712 174.700 0.005 0.000 1.039 182 T CA 2.109 64.207 62.100 -0.004 0.000 1.150 182 T CB -1.153 67.712 68.868 -0.005 0.000 0.864 182 T HN 0.440 nan 8.240 nan 0.000 0.427 183 P HA -0.095 nan 4.420 nan 0.000 0.215 183 P C 1.536 178.849 177.300 0.021 0.000 1.157 183 P CA 1.183 64.299 63.100 0.026 0.000 0.868 183 P CB -0.056 31.669 31.700 0.041 0.000 0.788 184 R N -0.203 120.308 120.500 0.019 0.000 2.070 184 R HA -0.096 4.251 4.340 0.012 0.000 0.233 184 R C 2.153 178.446 176.300 -0.011 0.000 1.137 184 R CA 2.093 58.199 56.100 0.010 0.000 0.945 184 R CB -0.910 29.398 30.300 0.013 0.000 0.845 184 R HN 0.075 nan 8.270 nan 0.000 0.430 185 M N 0.497 120.089 119.600 -0.012 0.000 2.149 185 M HA -0.126 4.361 4.480 0.012 0.000 0.261 185 M C 2.531 178.817 176.300 -0.023 0.000 1.064 185 M CA 1.839 57.126 55.300 -0.022 0.000 1.102 185 M CB -0.357 32.233 32.600 -0.018 0.000 1.369 185 M HN 0.430 nan 8.290 nan 0.000 0.408 186 A N -0.035 122.778 122.820 -0.012 0.000 1.933 186 A HA -0.201 4.126 4.320 0.012 0.000 0.218 186 A C 1.977 179.551 177.584 -0.018 0.000 1.175 186 A CA 2.092 54.124 52.037 -0.009 0.000 0.628 186 A CB -0.559 18.443 19.000 0.003 0.000 0.814 186 A HN 0.437 nan 8.150 nan 0.000 0.444 187 E N -0.248 119.939 120.200 -0.021 0.000 2.076 187 E HA -0.060 4.297 4.350 0.012 0.000 0.190 187 E C 1.839 178.391 176.600 -0.080 0.000 0.979 187 E CA 1.225 57.603 56.400 -0.037 0.000 0.807 187 E CB -0.379 29.307 29.700 -0.023 0.000 0.761 187 E HN 0.212 nan 8.360 nan 0.000 0.454 188 V N 0.945 120.805 119.914 -0.090 0.000 2.287 188 V HA -0.285 3.842 4.120 0.012 0.000 0.248 188 V C 2.344 178.372 176.094 -0.109 0.000 1.053 188 V CA 2.028 64.249 62.300 -0.133 0.000 1.027 188 V CB -0.936 30.826 31.823 -0.102 0.000 0.646 188 V HN 0.450 nan 8.190 nan 0.000 0.447 189 A N -1.178 121.602 122.820 -0.067 0.000 2.067 189 A HA -0.156 4.171 4.320 0.012 0.000 0.219 189 A C 2.474 180.032 177.584 -0.044 0.000 1.158 189 A CA 1.805 53.812 52.037 -0.050 0.000 0.661 189 A CB -0.450 18.530 19.000 -0.032 0.000 0.801 189 A HN 0.494 nan 8.150 nan 0.000 0.452 190 S N -0.097 115.575 115.700 -0.046 0.000 2.425 190 S HA -0.035 4.442 4.470 0.012 0.000 0.225 190 S C 1.251 175.829 174.600 -0.036 0.000 1.024 190 S CA 0.129 58.310 58.200 -0.031 0.000 0.951 190 S CB -0.305 62.883 63.200 -0.019 0.000 0.796 190 S HN 0.736 nan 8.310 nan 0.000 0.498 191 R N 1.419 121.875 120.500 -0.073 0.000 2.594 191 R HA 0.244 4.591 4.340 0.012 0.000 0.272 191 R C -0.829 175.451 176.300 -0.033 0.000 1.074 191 R CA -0.233 55.823 56.100 -0.073 0.000 1.105 191 R CB -0.015 30.168 30.300 -0.194 0.000 1.008 191 R HN 0.078 nan 8.270 nan 0.000 0.472 192 D N 3.893 124.304 120.400 0.018 0.000 2.339 192 D HA 0.098 4.745 4.640 0.012 0.000 0.256 192 D C -1.336 175.010 176.300 0.076 0.000 1.214 192 D CA -2.241 51.783 54.000 0.040 0.000 0.877 192 D CB 1.309 42.139 40.800 0.050 0.000 1.111 192 D HN 0.366 nan 8.370 nan 0.000 0.478 193 P HA -0.222 nan 4.420 nan 0.000 0.216 193 P C 0.829 178.187 177.300 0.097 0.000 1.150 193 P CA 1.321 64.476 63.100 0.092 0.000 0.843 193 P CB 0.354 32.083 31.700 0.048 0.000 0.787 194 K N -0.279 120.154 120.400 0.056 0.000 1.991 194 K HA 0.006 4.333 4.320 0.012 0.000 0.207 194 K C 2.438 179.053 176.600 0.025 0.000 1.045 194 K CA 1.008 57.307 56.287 0.021 0.000 0.937 194 K CB -0.701 31.802 32.500 0.006 0.000 0.720 194 K HN 0.161 nan 8.250 nan 0.000 0.438 195 L N 0.216 121.475 121.223 0.059 0.000 2.131 195 L HA -0.203 4.144 4.340 0.012 0.000 0.210 195 L C 2.513 179.462 176.870 0.131 0.000 1.092 195 L CA 0.986 55.870 54.840 0.074 0.000 0.759 195 L CB -0.417 41.695 42.059 0.089 0.000 0.903 195 L HN 0.195 nan 8.230 nan 0.000 0.435 196 Y N 0.599 120.917 120.300 0.029 0.000 2.293 196 Y HA -0.188 4.368 4.550 0.012 0.000 0.291 196 Y C 2.399 178.340 175.900 0.068 0.000 1.137 196 Y CA 0.871 59.003 58.100 0.053 0.000 1.202 196 Y CB -0.242 38.240 38.460 0.037 0.000 0.990 196 Y HN 0.095 nan 8.280 nan 0.000 0.537 197 A N 0.041 122.865 122.820 0.006 0.000 1.898 197 A HA -0.137 4.190 4.320 0.012 0.000 0.216 197 A C 2.142 179.666 177.584 -0.100 0.000 1.181 197 A CA 1.908 53.889 52.037 -0.094 0.000 0.620 197 A CB -0.579 18.379 19.000 -0.070 0.000 0.819 197 A HN 0.517 nan 8.150 nan 0.000 0.442 198 M N 0.084 119.580 119.600 -0.173 0.000 2.441 198 M HA 0.059 4.546 4.480 0.012 0.000 0.244 198 M C 0.195 176.242 176.300 -0.422 0.000 1.122 198 M CA 0.300 55.376 55.300 -0.373 0.000 1.041 198 M CB -0.194 32.100 32.600 -0.511 0.000 1.438 198 M HN 0.744 nan 8.290 nan 0.000 0.484 199 H N 0.024 119.097 119.070 0.004 0.000 2.258 199 H HA -0.089 4.474 4.556 0.012 0.000 0.327 199 H C -2.460 172.963 175.328 0.159 0.000 0.979 199 H CA -0.238 55.842 56.048 0.054 0.000 1.096 199 H CB -2.212 27.538 29.762 -0.021 0.000 1.563 199 H HN 0.233 nan 8.280 nan 0.000 0.373 200 P HA -0.103 nan 4.420 nan 0.000 0.265 200 P C 0.175 177.668 177.300 0.321 0.000 1.187 200 P CA 0.224 63.450 63.100 0.210 0.000 0.766 200 P CB 0.522 32.380 31.700 0.264 0.000 0.820 201 W N 5.547 126.954 121.300 0.179 0.000 2.278 201 W HA 0.447 5.113 4.660 0.011 0.000 0.317 201 W C -1.636 174.934 176.519 0.085 0.000 1.030 201 W CA -0.795 56.640 57.345 0.150 0.000 1.334 201 W CB 0.337 29.908 29.460 0.185 0.000 1.215 201 W HN 0.095 nan 8.180 nan 0.000 0.405 202 V N 4.376 124.452 119.914 0.270 0.000 3.141 202 V HA 0.742 4.869 4.120 0.012 0.000 0.312 202 V C -0.273 175.833 176.094 0.020 0.000 1.157 202 V CA -0.889 61.363 62.300 -0.081 0.000 1.041 202 V CB 2.009 33.649 31.823 -0.304 0.000 1.071 202 V HN 0.399 nan 8.190 nan 0.000 0.441 203 T N -0.755 113.753 114.554 -0.076 0.000 2.900 203 T HA 0.397 4.754 4.350 0.012 0.000 0.303 203 T C 0.281 174.957 174.700 -0.040 0.000 1.142 203 T CA 0.026 62.121 62.100 -0.008 0.000 1.007 203 T CB 2.062 70.928 68.868 -0.004 0.000 1.156 203 T HN 0.532 nan 8.240 nan 0.000 0.490 204 S N 1.282 116.980 115.700 -0.004 0.000 2.517 204 S HA 0.239 4.716 4.470 0.012 0.000 0.214 204 S C 0.539 175.136 174.600 -0.005 0.000 0.991 204 S CA -0.107 58.088 58.200 -0.009 0.000 0.906 204 S CB -0.004 63.201 63.200 0.008 0.000 0.789 204 S HN 0.596 nan 8.310 nan 0.000 0.513 205 K N 2.869 123.269 120.400 -0.001 0.000 2.380 205 K HA 0.141 4.468 4.320 0.012 0.000 0.267 205 K C -2.492 174.099 176.600 -0.015 0.000 0.990 205 K CA -1.087 55.199 56.287 -0.002 0.000 0.946 205 K CB -0.092 32.409 32.500 0.002 0.000 0.937 205 K HN 0.124 nan 8.250 nan 0.000 0.491 206 P HA 0.030 nan 4.420 nan 0.000 0.274 206 P C -0.423 176.860 177.300 -0.028 0.000 1.231 206 P CA -0.312 62.796 63.100 0.012 0.000 0.790 206 P CB 0.635 32.358 31.700 0.038 0.000 0.951 207 L N 4.233 125.435 121.223 -0.036 0.000 2.477 207 L HA 0.140 4.487 4.340 0.012 0.000 0.272 207 L C -1.551 175.239 176.870 -0.134 0.000 1.157 207 L CA -1.566 53.155 54.840 -0.198 0.000 0.889 207 L CB 0.491 42.233 42.059 -0.527 0.000 1.158 207 L HN 0.299 nan 8.230 nan 0.000 0.473 208 P HA 0.000 nan 4.420 nan 0.000 0.269 208 P C 0.152 177.266 177.300 -0.310 0.000 1.215 208 P CA -0.162 62.685 63.100 -0.421 0.000 0.780 208 P CB 0.732 31.842 31.700 -0.983 0.000 0.898 209 E N 1.048 121.146 120.200 -0.170 0.000 2.070 209 E HA -0.233 4.124 4.350 0.012 0.000 0.197 209 E C 1.633 178.247 176.600 0.023 0.000 1.004 209 E CA 1.652 58.067 56.400 0.025 0.000 0.805 209 E CB -0.703 29.021 29.700 0.041 0.000 0.744 209 E HN 0.652 nan 8.360 nan 0.000 0.451 210 Y N -0.400 119.940 120.300 0.067 0.000 2.680 210 Y HA 0.039 4.595 4.550 0.011 0.000 0.303 210 Y C 1.503 177.398 175.900 -0.009 0.000 1.166 210 Y CA 0.393 58.506 58.100 0.022 0.000 1.344 210 Y CB -0.353 38.102 38.460 -0.007 0.000 1.002 210 Y HN -0.016 nan 8.280 nan 0.000 0.537 211 L N -2.440 118.745 121.223 -0.062 0.000 2.642 211 L HA 0.112 4.459 4.340 0.012 0.000 0.233 211 L C 1.447 178.255 176.870 -0.103 0.000 1.077 211 L CA 0.111 54.902 54.840 -0.081 0.000 0.879 211 L CB -0.102 41.814 42.059 -0.238 0.000 1.151 211 L HN 0.299 nan 8.230 nan 0.000 0.495 212 W N 1.656 122.903 121.300 -0.088 0.000 2.425 212 W HA -0.161 4.506 4.660 0.011 0.000 0.277 212 W C 2.623 179.115 176.519 -0.045 0.000 1.231 212 W CA 0.756 58.058 57.345 -0.071 0.000 1.248 212 W CB 0.196 29.612 29.460 -0.073 0.000 1.117 212 W HN 0.017 nan 8.180 nan 0.000 0.568 213 K N 1.887 122.406 120.400 0.198 0.000 2.113 213 K HA -0.264 4.063 4.320 0.012 0.000 0.208 213 K C 1.523 178.175 176.600 0.086 0.000 1.047 213 K CA 1.920 58.281 56.287 0.123 0.000 0.928 213 K CB -0.832 31.724 32.500 0.094 0.000 0.716 213 K HN 0.205 nan 8.250 nan 0.000 0.446 214 K N 0.529 120.960 120.400 0.053 0.000 2.525 214 K HA 0.093 4.420 4.320 0.012 0.000 0.192 214 K C 0.069 176.677 176.600 0.013 0.000 1.029 214 K CA 0.183 56.480 56.287 0.017 0.000 1.029 214 K CB 0.125 32.609 32.500 -0.027 0.000 0.814 214 K HN 0.231 nan 8.250 nan 0.000 0.503 215 I N 1.176 121.787 120.570 0.067 0.000 2.698 215 I HA 0.196 4.373 4.170 0.012 0.000 0.276 215 I C -0.500 175.739 176.117 0.204 0.000 1.166 215 I CA -0.427 60.929 61.300 0.093 0.000 1.101 215 I CB 1.743 39.774 38.000 0.051 0.000 1.305 215 I HN -0.077 nan 8.210 nan 0.000 0.526 216 A N 4.554 127.440 122.820 0.111 0.000 2.965 216 A HA 0.346 4.673 4.320 0.012 0.000 0.304 216 A C 0.698 178.315 177.584 0.055 0.000 1.214 216 A CA -0.289 51.797 52.037 0.083 0.000 0.977 216 A CB -0.407 18.628 19.000 0.058 0.000 1.127 216 A HN 0.728 nan 8.150 nan 0.000 0.572 217 N N -0.599 118.136 118.700 0.058 0.000 1.997 217 N HA -0.051 4.696 4.740 0.012 0.000 0.225 217 N C 0.136 175.665 175.510 0.033 0.000 1.383 217 N CA 0.190 53.263 53.050 0.038 0.000 0.770 217 N CB -0.407 38.106 38.487 0.043 0.000 1.178 217 N HN 0.304 nan 8.380 nan 0.000 0.515 218 N N 0.261 119.004 118.700 0.071 0.000 2.708 218 N HA -0.170 4.577 4.740 0.012 0.000 0.251 218 N C -1.320 174.199 175.510 0.015 0.000 1.123 218 N CA 0.866 53.970 53.050 0.090 0.000 0.739 218 N CB -1.557 36.964 38.487 0.058 0.000 1.113 218 N HN 0.437 nan 8.380 nan 0.000 0.561 219 C N 0.606 119.865 119.300 -0.069 0.000 2.626 219 C HA 0.757 5.224 4.460 0.012 0.000 0.310 219 C C 0.285 175.014 174.990 -0.435 0.000 1.191 219 C CA -0.776 58.129 59.018 -0.189 0.000 1.517 219 C CB 1.654 29.307 27.740 -0.145 0.000 2.102 219 C HN 0.257 nan 8.230 nan 0.000 0.479 220 I N 1.889 122.186 120.570 -0.455 0.000 2.545 220 I HA 0.448 4.625 4.170 0.012 0.000 0.292 220 I C -1.074 174.741 176.117 -0.502 0.000 1.040 220 I CA -0.341 60.627 61.300 -0.553 0.000 1.068 220 I CB 1.442 39.272 38.000 -0.283 0.000 1.251 220 I HN 0.507 nan 8.210 nan 0.000 0.424 221 F N 5.952 125.872 119.950 -0.050 0.000 2.391 221 F HA 0.480 5.014 4.527 0.012 0.000 0.359 221 F C 0.058 175.806 175.800 -0.086 0.000 1.122 221 F CA -0.836 57.130 58.000 -0.056 0.000 1.120 221 F CB 0.691 39.659 39.000 -0.054 0.000 1.142 221 F HN 0.069 nan 8.300 nan 0.000 0.483 222 I N 4.338 124.952 120.570 0.073 0.000 2.354 222 I HA 0.275 4.452 4.170 0.012 0.000 0.292 222 I C -0.308 175.798 176.117 -0.018 0.000 0.989 222 I CA -0.954 60.338 61.300 -0.014 0.000 1.188 222 I CB 1.506 39.478 38.000 -0.045 0.000 1.342 222 I HN 0.228 nan 8.210 nan 0.000 0.457 223 V N 7.293 127.159 119.914 -0.079 0.000 2.334 223 V HA 0.258 4.385 4.120 0.012 0.000 0.267 223 V C 0.198 176.338 176.094 0.076 0.000 1.040 223 V CA -0.442 61.837 62.300 -0.035 0.000 0.866 223 V CB 0.760 32.502 31.823 -0.136 0.000 1.019 223 V HN 0.387 nan 8.190 nan 0.000 0.468 224 I N 5.366 125.946 120.570 0.015 0.000 2.301 224 I HA 0.336 4.513 4.170 0.012 0.000 0.292 224 I C 0.303 176.439 176.117 0.033 0.000 1.046 224 I CA 0.102 61.374 61.300 -0.047 0.000 1.282 224 I CB 0.247 38.058 38.000 -0.315 0.000 1.409 224 I HN 0.513 nan 8.210 nan 0.000 0.484 225 H N 5.622 124.656 119.070 -0.060 0.000 2.482 225 H HA 0.650 5.213 4.556 0.012 0.000 0.344 225 H C 0.212 175.506 175.328 -0.056 0.000 1.151 225 H CA -0.535 55.500 56.048 -0.023 0.000 1.300 225 H CB 1.126 30.881 29.762 -0.012 0.000 1.494 225 H HN 0.253 nan 8.280 nan 0.000 0.542 226 R N 1.931 122.486 120.500 0.091 0.000 2.797 226 R HA 0.189 4.536 4.340 0.012 0.000 0.230 226 R C -0.563 175.760 176.300 0.039 0.000 1.591 226 R CA 0.164 56.285 56.100 0.034 0.000 1.501 226 R CB -0.466 29.869 30.300 0.057 0.000 1.524 226 R HN 0.967 nan 8.270 nan 0.000 0.711 227 S N -0.989 114.737 115.700 0.044 0.000 4.152 227 S HA -0.228 4.249 4.470 0.012 0.000 0.624 227 S C 1.012 175.642 174.600 0.049 0.000 1.875 227 S CA 1.504 59.726 58.200 0.037 0.000 4.242 227 S CB -1.026 62.188 63.200 0.025 0.000 0.203 227 S HN 0.502 nan 8.310 nan 0.000 0.467 228 T N 2.739 117.312 114.554 0.032 0.000 3.100 228 T HA 0.263 4.620 4.350 0.012 0.000 0.253 228 T C 0.754 175.456 174.700 0.004 0.000 1.118 228 T CA 1.179 63.293 62.100 0.022 0.000 1.058 228 T CB -0.362 68.516 68.868 0.017 0.000 0.953 228 T HN 0.709 nan 8.240 nan 0.000 0.515 229 T N 2.791 117.350 114.554 0.007 0.000 2.788 229 T HA 0.484 4.841 4.350 0.012 0.000 0.280 229 T C 0.139 174.787 174.700 -0.087 0.000 0.984 229 T CA -0.650 61.445 62.100 -0.008 0.000 0.972 229 T CB 0.831 69.722 68.868 0.039 0.000 1.039 229 T HN 0.378 nan 8.240 nan 0.000 0.530 230 S N 0.061 115.700 115.700 -0.100 0.000 2.188 230 S HA 0.231 4.708 4.470 0.012 0.000 0.261 230 S C -0.999 173.545 174.600 -0.092 0.000 0.745 230 S CA -1.007 57.053 58.200 -0.233 0.000 0.907 230 S CB 0.509 63.419 63.200 -0.483 0.000 1.276 230 S HN 0.578 nan 8.310 nan 0.000 0.393 231 Q N 1.528 121.334 119.800 0.009 0.000 2.270 231 Q HA 0.809 5.156 4.340 0.012 0.000 0.167 231 Q C -0.185 175.837 176.000 0.037 0.000 1.023 231 Q CA 0.045 55.883 55.803 0.060 0.000 1.070 231 Q CB 0.796 29.644 28.738 0.183 0.000 1.504 231 Q HN 0.830 nan 8.270 nan 0.000 0.536 232 T N 0.699 115.291 114.554 0.062 0.000 4.205 232 T HA 0.302 4.659 4.350 0.012 0.000 0.219 232 T C -0.936 173.821 174.700 0.096 0.000 0.975 232 T CA -0.458 61.672 62.100 0.051 0.000 1.484 232 T CB -0.353 68.516 68.868 0.001 0.000 0.805 232 T HN 0.341 nan 8.240 nan 0.000 0.616 233 I N 2.232 122.875 120.570 0.122 0.000 2.741 233 I HA 0.082 4.259 4.170 0.012 0.000 0.288 233 I C 0.753 176.948 176.117 0.128 0.000 1.192 233 I CA 0.260 61.638 61.300 0.131 0.000 1.426 233 I CB 0.221 38.319 38.000 0.163 0.000 1.367 233 I HN 0.177 nan 8.210 nan 0.000 0.563 234 K N 4.994 125.478 120.400 0.140 0.000 2.249 234 K HA 0.610 4.937 4.320 0.012 0.000 0.280 234 K C -0.988 175.644 176.600 0.053 0.000 1.033 234 K CA -0.314 56.061 56.287 0.146 0.000 0.946 234 K CB 0.734 33.342 32.500 0.179 0.000 1.005 234 K HN 0.432 nan 8.250 nan 0.000 0.469 235 V N 1.520 121.425 119.914 -0.015 0.000 3.040 235 V HA 0.364 4.491 4.120 0.012 0.000 0.312 235 V C -0.736 175.328 176.094 -0.050 0.000 1.115 235 V CA -1.068 61.217 62.300 -0.024 0.000 0.998 235 V CB 1.957 33.761 31.823 -0.033 0.000 1.042 235 V HN 0.799 nan 8.190 nan 0.000 0.433 236 S N 2.032 117.723 115.700 -0.016 0.000 2.462 236 S HA 0.438 4.915 4.470 0.012 0.000 0.294 236 S C -1.841 172.761 174.600 0.004 0.000 1.144 236 S CA -1.485 56.715 58.200 -0.001 0.000 1.088 236 S CB 1.529 64.743 63.200 0.023 0.000 1.009 236 S HN 0.566 nan 8.310 nan 0.000 0.484 237 P HA -0.124 nan 4.420 nan 0.000 0.222 237 P C 0.556 177.878 177.300 0.036 0.000 1.139 237 P CA 1.015 64.110 63.100 -0.009 0.000 0.790 237 P CB 0.150 31.849 31.700 -0.001 0.000 0.757 238 D N -1.608 118.827 120.400 0.058 0.000 2.392 238 D HA -0.039 4.608 4.640 0.012 0.000 0.206 238 D C -0.063 176.273 176.300 0.059 0.000 1.046 238 D CA 0.123 54.161 54.000 0.063 0.000 0.865 238 D CB -0.044 40.796 40.800 0.066 0.000 0.969 238 D HN 0.027 nan 8.370 nan 0.000 0.509 239 D N 1.052 121.481 120.400 0.049 0.000 2.472 239 D HA 0.009 4.656 4.640 0.012 0.000 0.237 239 D C 0.155 176.497 176.300 0.070 0.000 1.141 239 D CA 0.680 54.710 54.000 0.049 0.000 0.875 239 D CB 0.959 41.779 40.800 0.032 0.000 1.192 239 D HN -0.066 nan 8.370 nan 0.000 0.450 240 T N 2.588 117.187 114.554 0.075 0.000 2.909 240 T HA 0.196 4.553 4.350 0.012 0.000 0.286 240 T C -1.400 173.343 174.700 0.072 0.000 1.002 240 T CA -1.439 60.724 62.100 0.105 0.000 1.074 240 T CB 1.581 70.506 68.868 0.095 0.000 0.984 240 T HN 0.117 nan 8.240 nan 0.000 0.495 241 P HA -0.082 nan 4.420 nan 0.000 0.216 241 P C 1.609 178.910 177.300 0.001 0.000 1.153 241 P CA 0.877 63.965 63.100 -0.020 0.000 0.858 241 P CB -0.026 31.643 31.700 -0.052 0.000 0.789 242 G N -0.651 108.178 108.800 0.048 0.000 2.471 242 G HA2 -0.068 3.899 3.960 0.012 0.000 0.219 242 G HA3 -0.068 3.899 3.960 0.012 0.000 0.219 242 G C 0.951 175.888 174.900 0.060 0.000 1.125 242 G CA 0.659 45.794 45.100 0.059 0.000 0.775 242 G HN 0.406 nan 8.290 nan 0.000 0.548 243 A N 0.198 123.050 122.820 0.053 0.000 3.041 243 A HA 0.619 4.946 4.320 0.012 0.000 0.307 243 A C 0.884 178.494 177.584 0.043 0.000 1.116 243 A CA -0.144 51.926 52.037 0.056 0.000 1.001 243 A CB -0.367 18.668 19.000 0.058 0.000 1.112 243 A HN 0.760 nan 8.150 nan 0.000 0.556 244 I N -5.609 114.975 120.570 0.024 0.000 5.144 244 I HA 0.286 4.463 4.170 0.012 0.000 0.368 244 I C 0.628 176.743 176.117 -0.003 0.000 1.191 244 I CA 0.148 61.457 61.300 0.014 0.000 1.502 244 I CB 0.132 38.120 38.000 -0.020 0.000 1.842 244 I HN 0.116 nan 8.210 nan 0.000 0.617 245 L N 1.032 122.234 121.223 -0.035 0.000 2.509 245 L HA 0.180 4.527 4.340 0.012 0.000 0.222 245 L C 2.273 179.152 176.870 0.015 0.000 1.123 245 L CA 0.874 55.632 54.840 -0.138 0.000 0.856 245 L CB 0.037 42.023 42.059 -0.121 0.000 0.985 245 L HN 0.386 nan 8.230 nan 0.000 0.456 246 Q N -0.781 119.078 119.800 0.099 0.000 2.165 246 Q HA -0.063 4.284 4.340 0.012 0.000 0.197 246 Q C 2.023 178.109 176.000 0.143 0.000 0.952 246 Q CA 1.385 57.282 55.803 0.157 0.000 0.848 246 Q CB 0.098 28.906 28.738 0.117 0.000 0.931 246 Q HN 0.458 nan 8.270 nan 0.000 0.470 247 S N -0.453 115.314 115.700 0.112 0.000 2.720 247 S HA -0.002 4.475 4.470 0.012 0.000 0.222 247 S C 0.882 175.565 174.600 0.139 0.000 0.958 247 S CA 0.025 58.286 58.200 0.101 0.000 0.943 247 S CB -0.137 63.110 63.200 0.079 0.000 0.779 247 S HN 0.315 nan 8.310 nan 0.000 0.526 248 F N 0.515 120.456 119.950 -0.015 0.000 2.373 248 F HA 0.405 4.939 4.527 0.012 0.000 0.253 248 F C 1.552 177.394 175.800 0.069 0.000 0.954 248 F CA -0.727 57.248 58.000 -0.041 0.000 1.136 248 F CB -0.543 38.340 39.000 -0.195 0.000 1.342 248 F HN 0.126 nan 8.300 nan 0.000 0.701 249 F N 1.371 121.454 119.950 0.223 0.000 2.053 249 F HA -0.395 4.139 4.527 0.012 0.000 0.295 249 F C 2.315 178.081 175.800 -0.056 0.000 1.102 249 F CA 2.047 60.101 58.000 0.090 0.000 1.225 249 F CB -0.886 38.230 39.000 0.192 0.000 0.961 249 F HN 0.095 nan 8.300 nan 0.000 0.495 250 T N -0.795 113.879 114.554 0.199 0.000 2.857 250 T HA -0.149 4.208 4.350 0.012 0.000 0.266 250 T C 1.901 176.605 174.700 0.008 0.000 1.048 250 T CA 0.739 62.889 62.100 0.082 0.000 1.139 250 T CB -0.190 68.729 68.868 0.084 0.000 0.874 250 T HN 0.044 nan 8.240 nan 0.000 0.455 251 K N -0.092 120.297 120.400 -0.018 0.000 2.519 251 K HA 0.031 4.358 4.320 0.012 0.000 0.196 251 K C 1.393 177.914 176.600 -0.131 0.000 1.041 251 K CA 0.921 57.173 56.287 -0.058 0.000 0.954 251 K CB -0.024 32.453 32.500 -0.038 0.000 0.774 251 K HN 0.286 nan 8.250 nan 0.000 0.480 252 M N -1.435 118.048 119.600 -0.194 0.000 2.616 252 M HA 0.242 4.729 4.480 0.012 0.000 0.194 252 M C -0.233 176.000 176.300 -0.112 0.000 1.946 252 M CA 1.114 56.285 55.300 -0.214 0.000 1.196 252 M CB 0.208 32.543 32.600 -0.441 0.000 1.356 252 M HN 0.058 nan 8.290 nan 0.000 0.599 268 Q N 1.060 120.547 119.800 -0.522 0.000 2.171 268 Q HA 0.038 4.385 4.340 0.012 0.000 0.218 268 Q C -0.188 175.759 176.000 -0.088 0.000 0.822 268 Q CA 0.250 55.933 55.803 -0.201 0.000 0.987 268 Q CB 0.679 29.387 28.738 -0.051 0.000 1.144 268 Q HN 0.290 nan 8.270 nan 0.000 0.494 269 D N 0.264 120.464 120.400 -0.332 0.000 2.856 269 D HA 0.064 4.711 4.640 0.012 0.000 0.242 269 D C -0.035 176.233 176.300 -0.053 0.000 1.226 269 D CA 0.212 54.091 54.000 -0.201 0.000 0.855 269 D CB -0.638 40.021 40.800 -0.234 0.000 1.065 269 D HN 0.104 nan 8.370 nan 0.000 0.462 270 F N -0.413 119.645 119.950 0.180 0.000 2.598 270 F HA 0.521 5.055 4.527 0.012 0.000 0.327 270 F C -0.013 175.850 175.800 0.106 0.000 1.057 270 F CA -1.518 56.589 58.000 0.178 0.000 0.957 270 F CB 2.566 41.768 39.000 0.336 0.000 1.278 270 F HN -0.193 nan 8.300 nan 0.000 0.484 271 V N 2.715 122.789 119.914 0.267 0.000 3.012 271 V HA 0.502 4.629 4.120 0.012 0.000 0.307 271 V C -1.438 174.679 176.094 0.037 0.000 1.166 271 V CA -0.764 61.609 62.300 0.122 0.000 0.974 271 V CB 2.369 34.257 31.823 0.109 0.000 1.040 271 V HN 0.591 nan 8.190 nan 0.000 0.428 272 L N 5.869 127.075 121.223 -0.027 0.000 2.319 272 L HA 0.611 4.958 4.340 0.012 0.000 0.280 272 L C 0.289 177.111 176.870 -0.079 0.000 1.099 272 L CA 0.030 54.803 54.840 -0.111 0.000 0.828 272 L CB 0.781 42.731 42.059 -0.181 0.000 1.150 272 L HN 0.613 nan 8.230 nan 0.000 0.442 273 R N 2.401 122.805 120.500 -0.160 0.000 2.621 273 R HA 0.498 4.845 4.340 0.012 0.000 0.292 273 R C -1.095 175.005 176.300 -0.333 0.000 0.969 273 R CA -0.782 55.124 56.100 -0.323 0.000 0.887 273 R CB 2.131 32.190 30.300 -0.401 0.000 1.180 273 R HN 0.344 nan 8.270 nan 0.000 0.450 274 V N 3.764 123.424 119.914 -0.423 0.000 2.673 274 V HA -0.041 4.086 4.120 0.012 0.000 0.303 274 V C 0.405 176.287 176.094 -0.354 0.000 1.046 274 V CA -0.154 61.901 62.300 -0.409 0.000 1.126 274 V CB 0.602 31.968 31.823 -0.762 0.000 0.934 274 V HN 0.821 nan 8.190 nan 0.000 0.487 275 C N 5.080 124.236 119.300 -0.241 0.000 2.633 275 C HA 0.430 4.897 4.460 0.012 0.000 0.415 275 C C 1.613 176.462 174.990 -0.236 0.000 1.393 275 C CA 0.617 59.490 59.018 -0.242 0.000 1.700 275 C CB -1.008 26.567 27.740 -0.274 0.000 2.541 275 C HN 1.368 nan 8.230 nan 0.000 0.603 276 G N 3.752 112.414 108.800 -0.229 0.000 2.155 276 G HA2 -0.226 3.741 3.960 0.012 0.000 0.257 276 G HA3 -0.226 3.741 3.960 0.012 0.000 0.257 276 G C -0.012 174.740 174.900 -0.247 0.000 0.983 276 G CA 0.270 45.248 45.100 -0.205 0.000 0.676 276 G HN 0.797 nan 8.290 nan 0.000 0.528 277 R N -0.834 119.471 120.500 -0.325 0.000 2.771 277 R HA 0.423 4.770 4.340 0.012 0.000 0.274 277 R C -1.355 174.709 176.300 -0.393 0.000 0.987 277 R CA -0.867 55.011 56.100 -0.370 0.000 0.908 277 R CB 1.148 31.139 30.300 -0.516 0.000 1.213 277 R HN 0.056 nan 8.270 nan 0.000 0.468 278 D N 1.529 121.737 120.400 -0.321 0.000 2.896 278 D HA 0.074 4.721 4.640 0.012 0.000 0.240 278 D C -0.945 175.209 176.300 -0.243 0.000 1.193 278 D CA 0.065 53.896 54.000 -0.282 0.000 0.983 278 D CB 0.223 40.940 40.800 -0.138 0.000 1.074 278 D HN 0.216 nan 8.370 nan 0.000 0.496 279 E N 0.937 120.847 120.200 -0.483 0.000 2.224 279 E HA 0.318 4.675 4.350 0.012 0.000 0.265 279 E C -1.646 174.616 176.600 -0.563 0.000 0.878 279 E CA -0.703 55.476 56.400 -0.368 0.000 0.759 279 E CB 0.627 30.086 29.700 -0.402 0.000 1.164 279 E HN 0.143 nan 8.360 nan 0.000 0.414 280 Y N 3.191 123.361 120.300 -0.215 0.000 2.393 280 Y HA 0.434 4.991 4.550 0.012 0.000 0.341 280 Y C -0.455 175.370 175.900 -0.124 0.000 0.988 280 Y CA -1.128 56.862 58.100 -0.183 0.000 1.078 280 Y CB 1.267 39.615 38.460 -0.187 0.000 1.203 280 Y HN 0.350 nan 8.280 nan 0.000 0.453 281 L N 5.427 126.600 121.223 -0.083 0.000 2.407 281 L HA 0.427 4.774 4.340 0.012 0.000 0.261 281 L C -0.088 176.663 176.870 -0.199 0.000 1.108 281 L CA -0.390 54.182 54.840 -0.448 0.000 0.995 281 L CB -0.247 41.406 42.059 -0.677 0.000 1.349 281 L HN 0.522 nan 8.230 nan 0.000 0.423 282 V N -0.809 119.193 119.914 0.146 0.000 3.105 282 V HA 1.092 5.219 4.120 0.012 0.000 0.311 282 V C 0.255 176.544 176.094 0.325 0.000 1.287 282 V CA -0.417 61.994 62.300 0.184 0.000 1.066 282 V CB 1.275 33.154 31.823 0.093 0.000 1.105 282 V HN 0.808 nan 8.190 nan 0.000 0.462 283 G N 0.415 109.328 108.800 0.189 0.000 2.733 283 G HA2 -0.055 3.912 3.960 0.012 0.000 0.686 283 G HA3 -0.055 3.912 3.960 0.012 0.000 0.686 283 G C -0.582 174.411 174.900 0.155 0.000 1.373 283 G CA -0.106 45.083 45.100 0.147 0.000 0.838 283 G HN 1.177 nan 8.290 nan 0.000 0.588 284 E N 1.309 121.565 120.200 0.094 0.000 1.800 284 E HA 0.379 4.736 4.350 0.012 0.000 0.262 284 E C 0.424 177.058 176.600 0.058 0.000 1.219 284 E CA 0.699 57.146 56.400 0.079 0.000 1.051 284 E CB -0.112 29.619 29.700 0.052 0.000 1.074 284 E HN 0.586 nan 8.360 nan 0.000 0.433 285 T N 2.494 117.105 114.554 0.096 0.000 2.956 285 T HA 0.348 4.705 4.350 0.012 0.000 0.312 285 T C -2.697 172.079 174.700 0.128 0.000 1.151 285 T CA -1.515 60.587 62.100 0.003 0.000 1.024 285 T CB 2.203 70.880 68.868 -0.317 0.000 1.140 285 T HN -0.004 nan 8.240 nan 0.000 0.473 286 P HA 0.161 nan 4.420 nan 0.000 0.268 286 P C 1.048 178.492 177.300 0.239 0.000 1.204 286 P CA -0.461 62.706 63.100 0.112 0.000 0.768 286 P CB 0.218 31.946 31.700 0.046 0.000 0.842 287 I N 3.086 123.813 120.570 0.262 0.000 2.454 287 I HA -0.253 3.924 4.170 0.012 0.000 0.254 287 I C 1.719 177.977 176.117 0.235 0.000 1.156 287 I CA 1.522 63.021 61.300 0.331 0.000 1.433 287 I CB -1.332 36.701 38.000 0.055 0.000 1.082 287 I HN 0.293 nan 8.210 nan 0.000 0.432 288 K N 0.461 120.894 120.400 0.056 0.000 2.442 288 K HA -0.052 4.275 4.320 0.012 0.000 0.198 288 K C 1.045 177.608 176.600 -0.062 0.000 1.042 288 K CA 1.317 57.560 56.287 -0.074 0.000 0.958 288 K CB -0.526 31.854 32.500 -0.201 0.000 0.766 288 K HN 0.278 nan 8.250 nan 0.000 0.474 289 N N 0.096 118.786 118.700 -0.018 0.000 2.398 289 N HA 0.116 4.863 4.740 0.012 0.000 0.188 289 N C -0.910 174.490 175.510 -0.184 0.000 1.122 289 N CA 0.109 53.087 53.050 -0.119 0.000 0.866 289 N CB 0.083 38.469 38.487 -0.168 0.000 0.970 289 N HN 0.083 nan 8.380 nan 0.000 0.462 290 F N 1.010 120.917 119.950 -0.072 0.000 2.410 290 F HA 0.195 4.730 4.527 0.012 0.000 0.348 290 F C 1.765 177.474 175.800 -0.152 0.000 1.106 290 F CA -0.505 57.456 58.000 -0.064 0.000 1.163 290 F CB 1.159 40.160 39.000 0.001 0.000 1.129 290 F HN -0.127 nan 8.300 nan 0.000 0.516 291 Q N 3.203 122.904 119.800 -0.165 0.000 2.124 291 Q HA -0.248 4.099 4.340 0.012 0.000 0.202 291 Q C 2.170 178.042 176.000 -0.213 0.000 0.977 291 Q CA 1.363 56.905 55.803 -0.434 0.000 0.850 291 Q CB -0.387 27.557 28.738 -1.323 0.000 0.901 291 Q HN 0.886 nan 8.270 nan 0.000 0.429 292 W N 0.667 121.853 121.300 -0.189 0.000 2.402 292 W HA -0.129 4.538 4.660 0.012 0.000 0.286 292 W C 1.546 178.068 176.519 0.005 0.000 1.221 292 W CA 0.951 58.268 57.345 -0.047 0.000 1.257 292 W CB 0.215 29.673 29.460 -0.004 0.000 1.120 292 W HN -0.086 nan 8.180 nan 0.000 0.551 293 V N 1.608 121.538 119.914 0.027 0.000 2.427 293 V HA -0.267 3.860 4.120 0.012 0.000 0.248 293 V C 2.454 178.430 176.094 -0.196 0.000 1.051 293 V CA 1.966 64.209 62.300 -0.094 0.000 1.048 293 V CB -0.680 31.143 31.823 0.000 0.000 0.666 293 V HN 0.130 nan 8.190 nan 0.000 0.456 294 R N -0.770 119.628 120.500 -0.171 0.000 2.119 294 R HA -0.099 4.248 4.340 0.012 0.000 0.222 294 R C 2.287 178.459 176.300 -0.212 0.000 1.088 294 R CA 1.275 57.260 56.100 -0.192 0.000 0.984 294 R CB -0.437 29.764 30.300 -0.165 0.000 0.884 294 R HN 0.700 nan 8.270 nan 0.000 0.447 295 H N 0.131 119.002 119.070 -0.331 0.000 2.353 295 H HA -0.083 4.480 4.556 0.012 0.000 0.300 295 H C 1.749 176.819 175.328 -0.429 0.000 1.090 295 H CA 1.761 57.589 56.048 -0.368 0.000 1.327 295 H CB -0.227 29.264 29.762 -0.452 0.000 1.383 295 H HN 0.099 nan 8.280 nan 0.000 0.508 296 C N 0.168 119.008 119.300 -0.766 0.000 2.457 296 C HA 0.013 4.480 4.460 0.012 0.000 0.278 296 C C 2.889 177.638 174.990 -0.402 0.000 1.309 296 C CA 0.650 59.272 59.018 -0.661 0.000 1.735 296 C CB -0.984 26.437 27.740 -0.532 0.000 1.992 296 C HN 0.569 nan 8.230 nan 0.000 0.493 297 L N 0.926 121.960 121.223 -0.315 0.000 2.017 297 L HA -0.141 4.206 4.340 0.012 0.000 0.208 297 L C 2.736 179.490 176.870 -0.193 0.000 1.073 297 L CA 1.405 56.112 54.840 -0.221 0.000 0.745 297 L CB -0.858 41.073 42.059 -0.213 0.000 0.894 297 L HN 0.279 nan 8.230 nan 0.000 0.432 298 K N 0.388 120.665 120.400 -0.204 0.000 2.360 298 K HA -0.136 4.191 4.320 0.012 0.000 0.201 298 K C 0.645 177.131 176.600 -0.191 0.000 1.046 298 K CA 1.054 57.255 56.287 -0.144 0.000 0.945 298 K CB 0.038 32.478 32.500 -0.099 0.000 0.750 298 K HN 0.358 nan 8.250 nan 0.000 0.464 299 N N -0.104 118.427 118.700 -0.282 0.000 2.338 299 N HA 0.060 4.807 4.740 0.012 0.000 0.251 299 N C 0.066 175.464 175.510 -0.187 0.000 1.199 299 N CA 0.551 53.451 53.050 -0.250 0.000 0.879 299 N CB 1.055 39.326 38.487 -0.359 0.000 1.159 299 N HN 0.267 nan 8.380 nan 0.000 0.514 300 G N 1.336 110.044 108.800 -0.153 0.000 2.380 300 G HA2 -0.309 3.658 3.960 0.012 0.000 0.298 300 G HA3 -0.309 3.658 3.960 0.012 0.000 0.298 300 G C 0.033 174.881 174.900 -0.086 0.000 0.989 300 G CA 0.718 45.760 45.100 -0.097 0.000 0.836 300 G HN 0.437 nan 8.290 nan 0.000 0.511 301 E N -0.169 119.947 120.200 -0.140 0.000 2.250 301 E HA 0.441 4.798 4.350 0.012 0.000 0.269 301 E C 0.316 176.884 176.600 -0.055 0.000 1.018 301 E CA -0.665 55.683 56.400 -0.087 0.000 0.873 301 E CB 0.975 30.593 29.700 -0.138 0.000 1.134 301 E HN 0.556 nan 8.360 nan 0.000 0.403 302 E N 1.154 121.377 120.200 0.038 0.000 2.319 302 E HA 0.240 4.597 4.350 0.012 0.000 0.268 302 E C -0.378 176.209 176.600 -0.022 0.000 1.050 302 E CA -0.339 56.062 56.400 0.001 0.000 0.878 302 E CB 1.084 30.790 29.700 0.011 0.000 1.066 302 E HN 0.321 nan 8.360 nan 0.000 0.406 303 I N 3.280 123.785 120.570 -0.109 0.000 2.269 303 I HA 0.086 4.263 4.170 0.012 0.000 0.293 303 I C -0.491 175.558 176.117 -0.114 0.000 1.106 303 I CA -0.142 61.140 61.300 -0.030 0.000 1.248 303 I CB -0.234 37.746 38.000 -0.032 0.000 1.444 303 I HN 0.332 nan 8.210 nan 0.000 0.497 304 H N 4.485 123.643 119.070 0.145 0.000 2.488 304 H HA 0.580 5.143 4.556 0.012 0.000 0.322 304 H C -0.436 174.888 175.328 -0.006 0.000 1.078 304 H CA -0.444 55.652 56.048 0.079 0.000 1.260 304 H CB 1.299 31.067 29.762 0.010 0.000 1.425 304 H HN 0.231 nan 8.280 nan 0.000 0.471 305 V N 3.258 123.207 119.914 0.059 0.000 3.001 305 V HA 0.440 4.567 4.120 0.012 0.000 0.314 305 V C -0.638 175.409 176.094 -0.078 0.000 1.099 305 V CA -0.997 61.266 62.300 -0.062 0.000 0.989 305 V CB 2.500 34.258 31.823 -0.109 0.000 1.040 305 V HN 0.493 nan 8.190 nan 0.000 0.434 306 V N 3.229 123.056 119.914 -0.145 0.000 2.656 306 V HA 0.645 4.772 4.120 0.012 0.000 0.307 306 V C -0.991 174.992 176.094 -0.185 0.000 1.051 306 V CA -0.777 61.441 62.300 -0.138 0.000 0.893 306 V CB 1.766 33.502 31.823 -0.145 0.000 0.999 306 V HN 0.784 nan 8.190 nan 0.000 0.426 307 L N 7.622 128.707 121.223 -0.230 0.000 2.278 307 L HA 0.608 4.955 4.340 0.012 0.000 0.287 307 L C -0.336 176.319 176.870 -0.358 0.000 1.072 307 L CA 0.630 55.284 54.840 -0.310 0.000 0.819 307 L CB 0.391 42.215 42.059 -0.393 0.000 1.176 307 L HN 0.930 nan 8.230 nan 0.000 0.435 308 D N 1.668 121.928 120.400 -0.234 0.000 2.798 308 D HA 0.334 4.981 4.640 0.012 0.000 0.308 308 D C -0.844 175.513 176.300 0.094 0.000 1.187 308 D CA -0.609 53.294 54.000 -0.161 0.000 1.033 308 D CB 0.886 41.652 40.800 -0.058 0.000 1.445 308 D HN 0.279 nan 8.370 nan 0.000 0.550 309 T N 0.990 115.638 114.554 0.157 0.000 2.856 309 T HA 0.511 4.868 4.350 0.012 0.000 0.292 309 T C -2.325 172.451 174.700 0.127 0.000 0.980 309 T CA -0.701 61.537 62.100 0.230 0.000 1.091 309 T CB 1.050 70.037 68.868 0.197 0.000 0.936 309 T HN 0.172 nan 8.240 nan 0.000 0.503 310 P HA 0.165 nan 4.420 nan 0.000 0.268 310 P C -2.220 175.041 177.300 -0.066 0.000 1.205 310 P CA -1.028 62.038 63.100 -0.057 0.000 0.771 310 P CB -0.187 31.480 31.700 -0.056 0.000 0.858 311 P HA 0.040 nan 4.420 nan 0.000 0.271 311 P C -0.591 176.673 177.300 -0.060 0.000 1.218 311 P CA 0.105 63.159 63.100 -0.076 0.000 0.780 311 P CB 0.505 32.145 31.700 -0.100 0.000 0.901 312 D N 3.463 123.846 120.400 -0.028 0.000 2.344 312 D HA 0.072 4.719 4.640 0.012 0.000 0.253 312 D C -1.091 175.202 176.300 -0.012 0.000 1.255 312 D CA -2.126 51.864 54.000 -0.017 0.000 0.894 312 D CB 0.439 41.233 40.800 -0.010 0.000 1.067 312 D HN 0.168 nan 8.370 nan 0.000 0.492 313 P HA -0.186 nan 4.420 nan 0.000 0.223 313 P C 0.982 178.298 177.300 0.027 0.000 1.144 313 P CA 0.636 63.751 63.100 0.024 0.000 0.783 313 P CB 0.178 31.897 31.700 0.031 0.000 0.771 314 A N 0.631 123.457 122.820 0.010 0.000 1.940 314 A HA -0.152 4.175 4.320 0.012 0.000 0.219 314 A C 2.283 179.872 177.584 0.007 0.000 1.176 314 A CA 1.263 53.304 52.037 0.006 0.000 0.631 314 A CB -1.581 17.417 19.000 -0.003 0.000 0.814 314 A HN 0.185 nan 8.150 nan 0.000 0.446 315 L N -0.347 120.877 121.223 0.002 0.000 2.450 315 L HA -0.135 4.212 4.340 0.012 0.000 0.224 315 L C 0.734 177.614 176.870 0.018 0.000 1.149 315 L CA 0.834 55.672 54.840 -0.004 0.000 0.816 315 L CB -0.459 41.589 42.059 -0.019 0.000 0.932 315 L HN 0.293 nan 8.230 nan 0.000 0.449 316 D N -0.254 120.175 120.400 0.049 0.000 2.342 316 D HA 0.021 4.668 4.640 0.012 0.000 0.221 316 D C 0.523 176.872 176.300 0.082 0.000 1.101 316 D CA 0.081 54.144 54.000 0.105 0.000 0.837 316 D CB 0.108 41.044 40.800 0.227 0.000 0.938 316 D HN 0.335 nan 8.370 nan 0.000 0.508 317 E N 0.711 120.934 120.200 0.039 0.000 2.502 317 E HA 0.024 4.381 4.350 0.012 0.000 0.261 317 E C -0.473 176.131 176.600 0.007 0.000 0.974 317 E CA 0.180 56.587 56.400 0.013 0.000 0.936 317 E CB 0.851 30.550 29.700 -0.001 0.000 0.926 317 E HN -0.173 nan 8.360 nan 0.000 0.459 318 V N 5.183 125.089 119.914 -0.013 0.000 2.427 318 V HA 0.197 4.324 4.120 0.012 0.000 0.286 318 V C 0.396 176.454 176.094 -0.059 0.000 1.034 318 V CA -0.500 61.784 62.300 -0.027 0.000 0.893 318 V CB 1.391 33.192 31.823 -0.038 0.000 0.982 318 V HN 0.663 nan 8.190 nan 0.000 0.452 319 R N 4.529 124.972 120.500 -0.095 0.000 2.522 319 R HA 0.112 4.459 4.340 0.012 0.000 0.284 319 R C 0.088 176.294 176.300 -0.157 0.000 1.032 319 R CA -0.173 55.820 56.100 -0.178 0.000 1.049 319 R CB 0.328 30.399 30.300 -0.383 0.000 0.956 319 R HN 0.654 nan 8.270 nan 0.000 0.422 320 K N 3.511 123.832 120.400 -0.132 0.000 2.436 320 K HA -0.026 4.301 4.320 0.012 0.000 0.275 320 K C -0.296 176.238 176.600 -0.110 0.000 0.999 320 K CA 0.439 56.667 56.287 -0.098 0.000 0.980 320 K CB 0.532 32.985 32.500 -0.078 0.000 0.919 320 K HN 0.597 nan 8.250 nan 0.000 0.484 321 E N 0.817 120.973 120.200 -0.073 0.000 2.222 321 E HA 0.493 4.850 4.350 0.012 0.000 0.267 321 E C -0.111 176.466 176.600 -0.038 0.000 0.963 321 E CA -0.406 55.960 56.400 -0.056 0.000 0.837 321 E CB 1.636 31.317 29.700 -0.032 0.000 1.183 321 E HN 0.683 nan 8.360 nan 0.000 0.403 358 D N 2.429 122.853 120.400 0.040 0.000 2.427 358 D HA 0.223 4.870 4.640 0.012 0.000 0.224 358 D C 0.551 176.862 176.300 0.019 0.000 1.157 358 D CA -0.070 53.945 54.000 0.025 0.000 0.828 358 D CB 0.263 41.072 40.800 0.016 0.000 0.974 358 D HN 0.485 nan 8.370 nan 0.000 0.498 359 R N 1.194 121.706 120.500 0.020 0.000 2.577 359 R HA 0.304 4.651 4.340 0.012 0.000 0.269 359 R C -0.231 176.084 176.300 0.025 0.000 1.084 359 R CA -0.379 55.724 56.100 0.005 0.000 1.163 359 R CB 0.488 30.777 30.300 -0.018 0.000 1.100 359 R HN -0.166 nan 8.270 nan 0.000 0.547 360 K N 1.919 122.329 120.400 0.017 0.000 2.270 360 K HA 0.097 4.424 4.320 0.012 0.000 0.276 360 K C -0.471 176.180 176.600 0.086 0.000 1.023 360 K CA -0.189 56.138 56.287 0.066 0.000 0.955 360 K CB 0.429 32.956 32.500 0.045 0.000 0.975 360 K HN 0.419 nan 8.250 nan 0.000 0.471 361 F N 3.888 123.857 119.950 0.033 0.000 2.443 361 F HA 0.173 4.707 4.527 0.012 0.000 0.353 361 F C 0.249 176.136 175.800 0.145 0.000 1.101 361 F CA 0.033 58.049 58.000 0.027 0.000 1.226 361 F CB 0.541 39.513 39.000 -0.046 0.000 1.140 361 F HN 0.514 nan 8.300 nan 0.000 0.557 362 R N 4.180 124.193 120.500 -0.811 0.000 2.799 362 R HA 0.865 5.212 4.340 0.012 0.000 0.270 362 R C -2.322 173.700 176.300 -0.463 0.000 1.010 362 R CA -1.208 54.673 56.100 -0.365 0.000 0.916 362 R CB 1.859 32.026 30.300 -0.220 0.000 1.228 362 R HN 0.590 nan 8.270 nan 0.000 0.469 363 V N 0.689 120.690 119.914 0.145 0.000 2.851 363 V HA 0.453 4.580 4.120 0.012 0.000 0.307 363 V C -1.428 174.831 176.094 0.275 0.000 1.129 363 V CA -0.810 61.620 62.300 0.217 0.000 0.932 363 V CB 2.218 34.135 31.823 0.156 0.000 1.024 363 V HN 0.845 nan 8.190 nan 0.000 0.426 364 K N 6.530 126.873 120.400 -0.096 0.000 2.185 364 K HA 0.569 4.896 4.320 0.012 0.000 0.269 364 K C -0.929 175.534 176.600 -0.229 0.000 0.987 364 K CA -0.755 55.239 56.287 -0.489 0.000 0.865 364 K CB 1.183 32.830 32.500 -1.422 0.000 1.090 364 K HN 0.633 nan 8.250 nan 0.000 0.450 365 I N 6.614 127.098 120.570 -0.144 0.000 2.291 365 I HA 0.154 4.331 4.170 0.012 0.000 0.290 365 I C 1.278 177.386 176.117 -0.014 0.000 1.050 365 I CA -0.154 61.109 61.300 -0.062 0.000 1.245 365 I CB 0.824 38.769 38.000 -0.092 0.000 1.405 365 I HN 0.754 nan 8.210 nan 0.000 0.478 366 R N 4.076 124.563 120.500 -0.021 0.000 2.057 366 R HA 0.214 4.561 4.340 0.012 0.000 0.229 366 R C 0.985 177.360 176.300 0.126 0.000 1.136 366 R CA 0.726 56.829 56.100 0.005 0.000 0.952 366 R CB 0.074 30.349 30.300 -0.042 0.000 0.848 366 R HN 0.739 nan 8.270 nan 0.000 0.430 367 G N 0.531 109.422 108.800 0.151 0.000 2.342 367 G HA2 0.402 4.369 3.960 0.012 0.000 0.297 367 G HA3 0.402 4.369 3.960 0.012 0.000 0.297 367 G C -1.591 173.409 174.900 0.167 0.000 1.313 367 G CA -0.786 44.454 45.100 0.234 0.000 0.830 367 G HN 0.192 nan 8.290 nan 0.000 0.506 368 I N -2.103 118.561 120.570 0.157 0.000 2.785 368 I HA 0.918 5.095 4.170 0.012 0.000 0.302 368 I C -1.696 174.434 176.117 0.020 0.000 1.069 368 I CA -1.018 60.325 61.300 0.072 0.000 1.045 368 I CB 2.671 40.738 38.000 0.112 0.000 1.236 368 I HN 0.527 nan 8.210 nan 0.000 0.429 369 D N 4.035 124.416 120.400 -0.032 0.000 2.947 369 D HA 0.591 5.238 4.640 0.012 0.000 0.224 369 D C -1.785 174.487 176.300 -0.045 0.000 1.230 369 D CA -0.373 53.610 54.000 -0.027 0.000 0.871 369 D CB 2.364 43.142 40.800 -0.036 0.000 1.671 369 D HN 0.629 nan 8.370 nan 0.000 0.507 370 I N 4.876 125.435 120.570 -0.018 0.000 2.619 370 I HA 0.354 4.531 4.170 0.012 0.000 0.292 370 I C -2.077 174.028 176.117 -0.020 0.000 1.100 370 I CA -2.711 58.575 61.300 -0.024 0.000 1.043 370 I CB 2.315 40.313 38.000 -0.003 0.000 1.239 370 I HN 0.368 nan 8.210 nan 0.000 0.420 371 P HA -0.009 nan 4.420 nan 0.000 0.215 371 P C -0.320 176.964 177.300 -0.028 0.000 1.157 371 P CA 1.035 64.125 63.100 -0.017 0.000 0.859 371 P CB 0.277 31.972 31.700 -0.009 0.000 0.786 372 V N 0.517 120.415 119.914 -0.027 0.000 2.577 372 V HA 0.292 4.419 4.120 0.012 0.000 0.303 372 V C 0.524 176.582 176.094 -0.060 0.000 1.042 372 V CA -0.460 61.815 62.300 -0.041 0.000 0.872 372 V CB 1.862 33.670 31.823 -0.025 0.000 0.998 372 V HN -0.020 nan 8.190 nan 0.000 0.423 373 L N 2.274 123.430 121.223 -0.111 0.000 3.360 373 L HA 0.507 4.854 4.340 0.012 0.000 0.303 373 L C -1.791 174.970 176.870 -0.181 0.000 1.218 373 L CA -0.371 54.358 54.840 -0.186 0.000 1.059 373 L CB 1.164 42.985 42.059 -0.397 0.000 1.468 373 L HN 0.500 nan 8.230 nan 0.000 0.614 374 P HA 0.008 nan 4.420 nan 0.000 0.250 374 P C -0.514 176.744 177.300 -0.069 0.000 1.161 374 P CA 0.549 63.594 63.100 -0.093 0.000 0.863 374 P CB 0.346 32.009 31.700 -0.061 0.000 0.827 375 R N 3.010 123.466 120.500 -0.074 0.000 3.067 375 R HA 0.422 4.769 4.340 0.012 0.000 0.222 375 R C 1.144 177.435 176.300 -0.014 0.000 1.551 375 R CA -0.792 55.288 56.100 -0.034 0.000 1.034 375 R CB -0.603 29.682 30.300 -0.026 0.000 1.889 375 R HN 0.014 nan 8.270 nan 0.000 0.526 376 N N 0.105 118.808 118.700 0.005 0.000 2.093 376 N HA -0.012 4.735 4.740 0.012 0.000 0.186 376 N C -0.210 175.310 175.510 0.017 0.000 1.080 376 N CA 1.443 54.501 53.050 0.012 0.000 0.891 376 N CB -0.644 37.855 38.487 0.021 0.000 1.050 376 N HN 0.621 nan 8.380 nan 0.000 0.444 377 T N 2.778 117.350 114.554 0.031 0.000 2.749 377 T HA 0.097 4.454 4.350 0.012 0.000 0.295 377 T C -0.553 174.179 174.700 0.053 0.000 0.936 377 T CA -0.682 61.441 62.100 0.039 0.000 1.060 377 T CB 0.486 69.381 68.868 0.045 0.000 0.904 377 T HN 0.243 nan 8.240 nan 0.000 0.500 378 D N 3.818 124.247 120.400 0.048 0.000 2.451 378 D HA 0.036 4.683 4.640 0.012 0.000 0.254 378 D C -0.005 176.359 176.300 0.107 0.000 1.204 378 D CA -0.306 53.733 54.000 0.066 0.000 0.896 378 D CB 0.448 41.277 40.800 0.048 0.000 1.136 378 D HN 0.143 nan 8.370 nan 0.000 0.499 379 L N 1.494 122.817 121.223 0.166 0.000 2.347 379 L HA 0.523 4.870 4.340 0.012 0.000 0.268 379 L C 0.530 177.536 176.870 0.227 0.000 1.019 379 L CA -0.623 54.327 54.840 0.184 0.000 0.806 379 L CB 1.839 44.012 42.059 0.190 0.000 1.339 379 L HN 0.637 nan 8.230 nan 0.000 0.463 380 T N -0.020 114.653 114.554 0.197 0.000 2.927 380 T HA 0.643 5.000 4.350 0.012 0.000 0.281 380 T C -0.960 173.845 174.700 0.174 0.000 0.998 380 T CA -0.372 61.850 62.100 0.203 0.000 1.019 380 T CB 1.202 70.190 68.868 0.200 0.000 1.061 380 T HN 0.320 nan 8.240 nan 0.000 0.518 381 V N 3.638 123.663 119.914 0.184 0.000 2.932 381 V HA 0.749 4.876 4.120 0.012 0.000 0.307 381 V C -1.262 175.027 176.094 0.326 0.000 1.147 381 V CA -0.788 61.550 62.300 0.064 0.000 0.951 381 V CB 1.848 33.504 31.823 -0.280 0.000 1.031 381 V HN 0.929 nan 8.190 nan 0.000 0.426 382 F N 3.054 123.121 119.950 0.195 0.000 2.664 382 F HA 0.933 5.467 4.527 0.011 0.000 0.317 382 F C -1.224 174.568 175.800 -0.014 0.000 1.108 382 F CA -1.247 56.841 58.000 0.146 0.000 0.957 382 F CB 1.732 40.788 39.000 0.095 0.000 1.365 382 F HN 0.180 nan 8.300 nan 0.000 0.475 383 V N 1.078 120.946 119.914 -0.076 0.000 2.459 383 V HA 0.386 4.513 4.120 0.012 0.000 0.295 383 V C -0.789 175.381 176.094 0.126 0.000 1.029 383 V CA -0.586 61.643 62.300 -0.119 0.000 0.874 383 V CB 1.445 33.033 31.823 -0.392 0.000 0.985 383 V HN 0.854 nan 8.190 nan 0.000 0.438 384 E N 3.583 123.913 120.200 0.216 0.000 2.113 384 E HA 0.692 5.049 4.350 0.012 0.000 0.273 384 E C -0.596 176.123 176.600 0.199 0.000 0.924 384 E CA -0.586 55.984 56.400 0.283 0.000 0.764 384 E CB 1.460 31.454 29.700 0.490 0.000 1.104 384 E HN 0.828 nan 8.360 nan 0.000 0.406 385 A N 5.240 128.182 122.820 0.203 0.000 2.288 385 A HA 0.514 4.841 4.320 0.012 0.000 0.320 385 A C -0.842 176.941 177.584 0.332 0.000 1.217 385 A CA -0.807 51.388 52.037 0.262 0.000 0.840 385 A CB 0.730 19.950 19.000 0.368 0.000 1.179 385 A HN 0.718 nan 8.150 nan 0.000 0.504 386 N N 1.833 120.667 118.700 0.222 0.000 2.240 386 N HA 0.455 5.202 4.740 0.012 0.000 0.302 386 N C -1.246 174.290 175.510 0.042 0.000 1.106 386 N CA -0.503 52.656 53.050 0.182 0.000 0.778 386 N CB 1.914 40.471 38.487 0.117 0.000 1.431 386 N HN 0.453 nan 8.380 nan 0.000 0.479 387 I N 2.057 122.615 120.570 -0.020 0.000 2.321 387 I HA 0.256 4.433 4.170 0.012 0.000 0.291 387 I C 0.155 176.228 176.117 -0.073 0.000 0.998 387 I CA -0.306 60.893 61.300 -0.168 0.000 1.227 387 I CB 0.991 38.814 38.000 -0.295 0.000 1.368 387 I HN 0.311 nan 8.210 nan 0.000 0.466 388 Q N 5.330 125.088 119.800 -0.069 0.000 2.416 388 Q HA 0.583 4.930 4.340 0.012 0.000 0.279 388 Q C -0.848 175.155 176.000 0.006 0.000 1.101 388 Q CA -0.856 54.926 55.803 -0.034 0.000 0.830 388 Q CB 3.233 31.939 28.738 -0.052 0.000 1.402 388 Q HN 0.521 nan 8.270 nan 0.000 0.445 389 H N -0.764 118.229 119.070 -0.129 0.000 3.083 389 H HA 0.238 4.800 4.556 0.011 0.000 0.339 389 H C -0.110 175.089 175.328 -0.215 0.000 1.020 389 H CA 0.454 56.398 56.048 -0.174 0.000 1.360 389 H CB 1.715 31.393 29.762 -0.140 0.000 1.811 389 H HN 0.966 nan 8.280 nan 0.000 0.493 390 G N 4.580 113.089 108.800 -0.485 0.000 2.395 390 G HA2 -0.321 3.646 3.960 0.012 0.000 0.300 390 G HA3 -0.321 3.646 3.960 0.012 0.000 0.300 390 G C 0.274 175.001 174.900 -0.289 0.000 0.998 390 G CA 1.118 45.961 45.100 -0.429 0.000 1.046 390 G HN 0.871 nan 8.290 nan 0.000 0.513 391 Q N -1.827 117.843 119.800 -0.217 0.000 2.454 391 Q HA -0.237 4.110 4.340 0.012 0.000 0.341 391 Q C 0.179 176.087 176.000 -0.153 0.000 1.437 391 Q CA 1.740 57.432 55.803 -0.184 0.000 0.935 391 Q CB -0.683 27.925 28.738 -0.216 0.000 1.164 391 Q HN 1.150 nan 8.270 nan 0.000 0.373 392 Q N -0.574 119.167 119.800 -0.099 0.000 2.313 392 Q HA 0.438 4.785 4.340 0.012 0.000 0.255 392 Q C -0.815 175.173 176.000 -0.020 0.000 0.944 392 Q CA -0.612 55.159 55.803 -0.053 0.000 0.881 392 Q CB 1.741 30.470 28.738 -0.015 0.000 1.375 392 Q HN 0.197 nan 8.270 nan 0.000 0.422 393 V N 3.872 123.775 119.914 -0.018 0.000 2.397 393 V HA 0.180 4.307 4.120 0.012 0.000 0.262 393 V C 0.994 177.100 176.094 0.019 0.000 1.047 393 V CA -0.087 62.217 62.300 0.007 0.000 1.003 393 V CB -0.237 31.597 31.823 0.018 0.000 1.037 393 V HN 0.922 nan 8.190 nan 0.000 0.480 394 L N 2.547 123.782 121.223 0.019 0.000 2.179 394 L HA 0.215 4.562 4.340 0.012 0.000 0.208 394 L C 0.862 177.764 176.870 0.053 0.000 1.096 394 L CA 0.765 55.615 54.840 0.017 0.000 0.779 394 L CB -0.020 42.031 42.059 -0.014 0.000 0.922 394 L HN 0.695 nan 8.230 nan 0.000 0.443 395 C N -0.550 118.813 119.300 0.106 0.000 3.006 395 C HA 0.392 4.859 4.460 0.012 0.000 0.359 395 C C -0.652 174.540 174.990 0.336 0.000 1.103 395 C CA -0.846 58.315 59.018 0.238 0.000 1.286 395 C CB 1.960 29.951 27.740 0.417 0.000 1.694 395 C HN 0.333 nan 8.230 nan 0.000 0.511 396 Q N 3.168 123.102 119.800 0.223 0.000 2.356 396 Q HA 0.727 5.074 4.340 0.012 0.000 0.270 396 Q C -1.140 174.850 176.000 -0.017 0.000 1.058 396 Q CA -0.578 55.335 55.803 0.182 0.000 0.802 396 Q CB 1.295 30.090 28.738 0.094 0.000 1.303 396 Q HN 0.672 nan 8.270 nan 0.000 0.444 397 R N 2.323 122.794 120.500 -0.049 0.000 2.725 397 R HA 0.611 4.958 4.340 0.012 0.000 0.277 397 R C -1.017 175.243 176.300 -0.066 0.000 0.987 397 R CA -0.611 55.351 56.100 -0.229 0.000 0.901 397 R CB 2.116 32.047 30.300 -0.614 0.000 1.207 397 R HN 0.745 nan 8.270 nan 0.000 0.463 398 R N -0.311 120.129 120.500 -0.101 0.000 2.837 398 R HA 0.501 4.848 4.340 0.012 0.000 0.271 398 R C -0.194 176.027 176.300 -0.132 0.000 0.993 398 R CA -0.814 55.244 56.100 -0.069 0.000 0.931 398 R CB 2.219 32.446 30.300 -0.121 0.000 1.206 398 R HN 0.760 nan 8.270 nan 0.000 0.474 399 T N -1.748 112.705 114.554 -0.168 0.000 2.912 399 T HA 0.350 4.707 4.350 0.012 0.000 0.280 399 T C 0.523 175.176 174.700 -0.079 0.000 0.989 399 T CA -0.846 61.096 62.100 -0.263 0.000 0.995 399 T CB 1.370 69.695 68.868 -0.905 0.000 1.077 399 T HN 0.589 nan 8.240 nan 0.000 0.531 400 S N 0.915 116.670 115.700 0.091 0.000 2.593 400 S HA 0.399 4.876 4.470 0.012 0.000 0.269 400 S C -2.680 172.139 174.600 0.365 0.000 1.334 400 S CA -1.062 57.241 58.200 0.172 0.000 1.015 400 S CB -0.440 62.889 63.200 0.215 0.000 0.912 400 S HN 0.617 nan 8.310 nan 0.000 0.541 401 P HA 0.394 nan 4.420 nan 0.000 0.275 401 P C -0.550 176.945 177.300 0.325 0.000 1.228 401 P CA -0.362 62.955 63.100 0.361 0.000 0.786 401 P CB 0.462 32.298 31.700 0.226 0.000 0.927 402 K N 2.517 123.107 120.400 0.318 0.000 2.512 402 K HA 0.478 4.805 4.320 0.012 0.000 0.263 402 K C -2.817 173.856 176.600 0.122 0.000 0.966 402 K CA -2.278 54.091 56.287 0.136 0.000 0.851 402 K CB 1.702 34.153 32.500 -0.081 0.000 1.395 402 K HN 0.159 nan 8.250 nan 0.000 0.440 403 P HA 0.007 nan 4.420 nan 0.000 0.271 403 P C -0.895 176.511 177.300 0.177 0.000 1.220 403 P CA -0.160 63.004 63.100 0.107 0.000 0.768 403 P CB 0.176 31.907 31.700 0.051 0.000 0.848 404 F N 5.418 125.388 119.950 0.034 0.000 2.494 404 F HA 0.198 4.733 4.527 0.012 0.000 0.351 404 F C 0.356 176.162 175.800 0.010 0.000 1.205 404 F CA -0.370 57.651 58.000 0.035 0.000 1.125 404 F CB -1.011 38.031 39.000 0.070 0.000 1.268 404 F HN 0.183 nan 8.300 nan 0.000 0.593 405 T N 1.266 115.933 114.554 0.189 0.000 2.940 405 T HA 0.337 4.694 4.350 0.012 0.000 0.288 405 T C 0.974 175.661 174.700 -0.021 0.000 1.045 405 T CA -0.752 61.334 62.100 -0.023 0.000 1.018 405 T CB 1.373 70.231 68.868 -0.016 0.000 1.151 405 T HN 0.505 nan 8.240 nan 0.000 0.529 406 E N 0.126 120.279 120.200 -0.079 0.000 2.273 406 E HA -0.129 4.228 4.350 0.012 0.000 0.198 406 E C 0.555 177.153 176.600 -0.004 0.000 1.002 406 E CA 0.961 57.328 56.400 -0.054 0.000 0.828 406 E CB 0.158 29.821 29.700 -0.061 0.000 0.747 406 E HN 0.714 nan 8.360 nan 0.000 0.491 407 E N 0.677 120.874 120.200 -0.005 0.000 2.281 407 E HA 0.288 4.645 4.350 0.012 0.000 0.266 407 E C -1.761 174.813 176.600 -0.043 0.000 0.893 407 E CA -0.348 56.045 56.400 -0.013 0.000 0.798 407 E CB 1.924 31.605 29.700 -0.032 0.000 1.245 407 E HN -0.169 nan 8.360 nan 0.000 0.410 408 V N 5.819 125.698 119.914 -0.058 0.000 2.487 408 V HA 0.479 4.606 4.120 0.012 0.000 0.298 408 V C -0.044 175.853 176.094 -0.328 0.000 1.028 408 V CA -0.649 61.505 62.300 -0.243 0.000 0.860 408 V CB 1.389 33.028 31.823 -0.306 0.000 0.991 408 V HN 0.627 nan 8.190 nan 0.000 0.427 409 L N 3.120 124.086 121.223 -0.429 0.000 2.322 409 L HA 0.587 4.934 4.340 0.012 0.000 0.269 409 L C 0.165 176.764 176.870 -0.452 0.000 1.012 409 L CA -0.371 54.305 54.840 -0.273 0.000 0.815 409 L CB 2.559 44.534 42.059 -0.140 0.000 1.295 409 L HN 0.665 nan 8.230 nan 0.000 0.438 410 W N -0.408 120.877 121.300 -0.025 0.000 4.811 410 W HA 0.043 4.711 4.660 0.013 0.000 0.178 410 W C 0.703 177.191 176.519 -0.052 0.000 1.104 410 W CA 0.082 57.413 57.345 -0.023 0.000 1.779 410 W CB 0.191 29.643 29.460 -0.013 0.000 0.601 410 W HN 0.745 nan 8.180 nan 0.000 1.017 411 N N 1.398 120.192 118.700 0.156 0.000 2.716 411 N HA -0.178 4.569 4.740 0.012 0.000 0.250 411 N C -1.256 174.229 175.510 -0.043 0.000 1.033 411 N CA 0.698 53.744 53.050 -0.008 0.000 0.727 411 N CB -1.178 37.296 38.487 -0.021 0.000 0.950 411 N HN -0.177 nan 8.380 nan 0.000 0.541 412 V N 0.777 120.690 119.914 -0.002 0.000 2.555 412 V HA 0.469 4.596 4.120 0.012 0.000 0.302 412 V C 0.364 176.427 176.094 -0.051 0.000 1.038 412 V CA -0.751 61.552 62.300 0.006 0.000 0.887 412 V CB 1.112 32.999 31.823 0.106 0.000 0.991 412 V HN 0.270 nan 8.190 nan 0.000 0.434 413 W N 4.515 125.824 121.300 0.015 0.000 2.238 413 W HA 0.546 5.212 4.660 0.011 0.000 0.321 413 W C -0.186 176.314 176.519 -0.030 0.000 1.293 413 W CA -0.352 56.987 57.345 -0.009 0.000 1.204 413 W CB 0.741 30.190 29.460 -0.018 0.000 1.167 413 W HN 0.291 nan 8.180 nan 0.000 0.553 414 L N 3.475 124.868 121.223 0.283 0.000 2.316 414 L HA 0.317 4.664 4.340 0.012 0.000 0.280 414 L C -0.172 176.756 176.870 0.096 0.000 1.006 414 L CA -0.699 54.195 54.840 0.090 0.000 0.836 414 L CB 1.348 43.452 42.059 0.075 0.000 1.221 414 L HN 0.436 nan 8.230 nan 0.000 0.418 415 E N 3.150 123.321 120.200 -0.049 0.000 2.156 415 E HA 0.457 4.814 4.350 0.012 0.000 0.279 415 E C -1.281 175.230 176.600 -0.149 0.000 0.965 415 E CA -0.649 55.745 56.400 -0.010 0.000 0.789 415 E CB 1.157 30.837 29.700 -0.033 0.000 1.098 415 E HN 0.236 nan 8.360 nan 0.000 0.397 416 F N 1.589 121.591 119.950 0.085 0.000 2.403 416 F HA 0.144 4.677 4.527 0.011 0.000 0.326 416 F C 1.769 177.606 175.800 0.063 0.000 1.081 416 F CA -0.443 57.619 58.000 0.103 0.000 1.041 416 F CB 1.690 40.807 39.000 0.196 0.000 1.234 416 F HN 0.570 nan 8.300 nan 0.000 0.503 417 S N 0.443 116.247 115.700 0.173 0.000 2.428 417 S HA 0.069 4.546 4.470 0.012 0.000 0.230 417 S C 0.746 175.413 174.600 0.112 0.000 1.014 417 S CA 0.278 58.537 58.200 0.098 0.000 0.957 417 S CB -0.515 62.714 63.200 0.049 0.000 0.784 417 S HN 0.419 nan 8.310 nan 0.000 0.499 418 I N 2.545 123.208 120.570 0.155 0.000 2.692 418 I HA 0.072 4.249 4.170 0.012 0.000 0.284 418 I C 0.457 176.633 176.117 0.098 0.000 1.159 418 I CA -0.063 61.290 61.300 0.089 0.000 1.423 418 I CB 0.533 38.558 38.000 0.042 0.000 1.380 418 I HN 0.149 nan 8.210 nan 0.000 0.580 419 K N 5.355 125.783 120.400 0.047 0.000 2.154 419 K HA 0.258 4.585 4.320 0.012 0.000 0.264 419 K C 0.929 177.552 176.600 0.039 0.000 1.008 419 K CA -0.803 55.514 56.287 0.049 0.000 0.937 419 K CB 1.316 33.829 32.500 0.022 0.000 1.002 419 K HN 0.428 nan 8.250 nan 0.000 0.469 420 I N 1.782 122.389 120.570 0.062 0.000 2.208 420 I HA -0.250 3.927 4.170 0.012 0.000 0.245 420 I C 2.153 178.264 176.117 -0.009 0.000 1.097 420 I CA 1.628 62.952 61.300 0.040 0.000 1.363 420 I CB -0.726 37.293 38.000 0.031 0.000 1.051 420 I HN 0.660 nan 8.210 nan 0.000 0.413 421 K N 1.220 121.627 120.400 0.011 0.000 2.211 421 K HA -0.179 4.148 4.320 0.012 0.000 0.204 421 K C 1.404 177.996 176.600 -0.013 0.000 1.047 421 K CA 1.281 57.577 56.287 0.015 0.000 0.935 421 K CB -0.079 32.435 32.500 0.023 0.000 0.728 421 K HN 0.248 nan 8.250 nan 0.000 0.452 422 D N 0.009 120.390 120.400 -0.033 0.000 2.349 422 D HA -0.004 4.643 4.640 0.012 0.000 0.215 422 D C -0.090 176.152 176.300 -0.095 0.000 1.016 422 D CA 0.209 54.172 54.000 -0.062 0.000 0.870 422 D CB 0.112 40.877 40.800 -0.059 0.000 0.917 422 D HN 0.204 nan 8.370 nan 0.000 0.524 423 L N 3.815 124.971 121.223 -0.112 0.000 2.562 423 L HA 0.096 4.443 4.340 0.012 0.000 0.271 423 L C -1.857 174.945 176.870 -0.113 0.000 1.167 423 L CA -1.063 53.680 54.840 -0.162 0.000 0.917 423 L CB 0.001 41.931 42.059 -0.215 0.000 1.187 423 L HN -0.175 nan 8.230 nan 0.000 0.482 424 P HA 0.082 nan 4.420 nan 0.000 0.278 424 P C -0.780 176.511 177.300 -0.015 0.000 1.238 424 P CA -0.685 62.352 63.100 -0.104 0.000 0.794 424 P CB 1.073 32.575 31.700 -0.330 0.000 0.955 425 K N 1.343 121.777 120.400 0.057 0.000 2.448 425 K HA 0.238 4.565 4.320 0.012 0.000 0.278 425 K C 1.086 177.783 176.600 0.162 0.000 1.009 425 K CA 0.953 57.271 56.287 0.053 0.000 0.995 425 K CB -0.608 31.874 32.500 -0.030 0.000 0.917 425 K HN 0.794 nan 8.250 nan 0.000 0.481 426 G N 1.622 110.530 108.800 0.180 0.000 2.176 426 G HA2 -0.257 3.710 3.960 0.012 0.000 0.232 426 G HA3 -0.257 3.710 3.960 0.012 0.000 0.232 426 G C 0.056 174.961 174.900 0.009 0.000 0.986 426 G CA 0.019 45.175 45.100 0.093 0.000 0.643 426 G HN 0.923 nan 8.290 nan 0.000 0.522 427 A N 0.212 123.083 122.820 0.084 0.000 2.425 427 A HA 0.737 5.064 4.320 0.012 0.000 0.249 427 A C 0.341 177.865 177.584 -0.099 0.000 1.084 427 A CA 0.176 52.232 52.037 0.030 0.000 0.781 427 A CB 0.421 19.390 19.000 -0.052 0.000 1.019 427 A HN 0.858 nan 8.150 nan 0.000 0.490 428 L N 1.781 122.937 121.223 -0.112 0.000 2.334 428 L HA 0.444 4.791 4.340 0.012 0.000 0.276 428 L C -0.535 176.255 176.870 -0.134 0.000 1.014 428 L CA -0.895 53.871 54.840 -0.123 0.000 0.815 428 L CB 1.757 43.760 42.059 -0.094 0.000 1.268 428 L HN 0.694 nan 8.230 nan 0.000 0.428 429 L N 4.076 125.222 121.223 -0.129 0.000 2.259 429 L HA 0.332 4.678 4.340 0.012 0.000 0.288 429 L C -0.083 176.771 176.870 -0.025 0.000 1.051 429 L CA 0.245 55.019 54.840 -0.111 0.000 0.824 429 L CB 0.515 42.518 42.059 -0.093 0.000 1.206 429 L HN 0.558 nan 8.230 nan 0.000 0.429 430 N N 6.158 124.862 118.700 0.008 0.000 2.434 430 N HA 0.330 5.077 4.740 0.012 0.000 0.272 430 N C -1.528 174.041 175.510 0.099 0.000 1.040 430 N CA -0.386 52.703 53.050 0.065 0.000 0.956 430 N CB 0.860 39.380 38.487 0.056 0.000 1.108 430 N HN 0.681 nan 8.380 nan 0.000 0.481 431 L N 2.623 123.916 121.223 0.117 0.000 2.356 431 L HA 0.433 4.780 4.340 0.012 0.000 0.277 431 L C -0.249 176.688 176.870 0.112 0.000 0.996 431 L CA -0.616 54.286 54.840 0.103 0.000 0.822 431 L CB 2.058 44.156 42.059 0.065 0.000 1.256 431 L HN 0.440 nan 8.230 nan 0.000 0.413 432 Q N 3.309 123.158 119.800 0.081 0.000 2.372 432 Q HA 0.637 4.984 4.340 0.012 0.000 0.273 432 Q C -1.286 174.634 176.000 -0.132 0.000 1.078 432 Q CA -0.652 55.148 55.803 -0.005 0.000 0.806 432 Q CB 3.545 32.260 28.738 -0.039 0.000 1.332 432 Q HN 0.518 nan 8.270 nan 0.000 0.435 433 I N 2.330 122.771 120.570 -0.216 0.000 2.378 433 I HA 0.348 4.525 4.170 0.012 0.000 0.291 433 I C -1.137 174.672 176.117 -0.513 0.000 0.992 433 I CA -0.700 60.442 61.300 -0.264 0.000 1.154 433 I CB 0.745 38.696 38.000 -0.083 0.000 1.315 433 I HN 0.502 nan 8.210 nan 0.000 0.448 434 Y N 4.919 124.884 120.300 -0.559 0.000 2.387 434 Y HA 0.497 5.054 4.550 0.012 0.000 0.336 434 Y C 0.273 175.887 175.900 -0.478 0.000 1.067 434 Y CA -0.300 57.434 58.100 -0.609 0.000 1.114 434 Y CB 1.802 39.606 38.460 -1.094 0.000 1.208 434 Y HN 0.583 nan 8.280 nan 0.000 0.458 461 L N 3.376 124.428 121.223 -0.286 0.000 2.547 461 L HA 0.382 4.729 4.340 0.012 0.000 0.218 461 L C -0.659 175.866 176.870 -0.574 0.000 1.048 461 L CA 0.176 54.790 54.840 -0.377 0.000 0.859 461 L CB 0.454 42.327 42.059 -0.309 0.000 1.128 461 L HN 0.558 nan 8.230 nan 0.000 0.483 462 Y N -1.169 119.090 120.300 -0.068 0.000 2.571 462 Y HA 0.476 5.033 4.550 0.012 0.000 0.341 462 Y C -0.759 175.182 175.900 0.068 0.000 1.076 462 Y CA -1.319 56.784 58.100 0.004 0.000 1.029 462 Y CB 1.665 40.094 38.460 -0.052 0.000 1.308 462 Y HN -0.026 nan 8.280 nan 0.000 0.461 463 Y N -0.833 119.588 120.300 0.202 0.000 2.615 463 Y HA 0.923 5.480 4.550 0.013 0.000 0.341 463 Y C -1.916 174.123 175.900 0.233 0.000 1.089 463 Y CA -1.557 56.636 58.100 0.155 0.000 1.049 463 Y CB 1.818 40.362 38.460 0.140 0.000 1.296 463 Y HN 0.599 nan 8.280 nan 0.000 0.470 464 V N 1.899 122.001 119.914 0.314 0.000 3.177 464 V HA 0.457 4.584 4.120 0.012 0.000 0.287 464 V C -2.029 174.213 176.094 0.247 0.000 1.465 464 V CA -0.809 61.637 62.300 0.242 0.000 1.020 464 V CB 2.453 34.301 31.823 0.042 0.000 1.152 464 V HN 1.013 nan 8.190 nan 0.000 0.448 465 N N 3.178 122.017 118.700 0.231 0.000 2.328 465 N HA 0.785 5.532 4.740 0.012 0.000 0.299 465 N C -1.627 173.928 175.510 0.075 0.000 1.179 465 N CA -0.419 52.710 53.050 0.132 0.000 0.793 465 N CB 2.615 41.175 38.487 0.122 0.000 1.366 465 N HN 0.625 nan 8.380 nan 0.000 0.493 466 L N 0.965 122.188 121.223 -0.001 0.000 2.476 466 L HA 0.468 4.815 4.340 0.012 0.000 0.269 466 L C -1.357 175.451 176.870 -0.104 0.000 0.965 466 L CA -0.462 54.343 54.840 -0.059 0.000 0.845 466 L CB 1.378 43.330 42.059 -0.178 0.000 1.259 466 L HN 0.457 nan 8.230 nan 0.000 0.403 467 L N 5.720 126.887 121.223 -0.094 0.000 2.534 467 L HA 0.087 4.434 4.340 0.012 0.000 0.271 467 L C 1.245 178.042 176.870 -0.122 0.000 1.178 467 L CA 0.226 54.990 54.840 -0.126 0.000 0.907 467 L CB 0.669 42.645 42.059 -0.139 0.000 1.164 467 L HN 0.806 nan 8.230 nan 0.000 0.482 468 L N 4.722 125.862 121.223 -0.137 0.000 2.109 468 L HA 0.032 4.379 4.340 0.012 0.000 0.207 468 L C 0.581 177.400 176.870 -0.084 0.000 1.086 468 L CA 1.004 55.756 54.840 -0.146 0.000 0.760 468 L CB 0.064 41.968 42.059 -0.259 0.000 0.910 468 L HN 0.517 nan 8.230 nan 0.000 0.437 469 I N 0.212 120.755 120.570 -0.046 0.000 2.406 469 I HA 0.119 4.296 4.170 0.012 0.000 0.290 469 I C -0.479 175.676 176.117 0.063 0.000 0.999 469 I CA -0.973 60.320 61.300 -0.011 0.000 1.124 469 I CB 1.678 39.661 38.000 -0.028 0.000 1.289 469 I HN 0.052 nan 8.210 nan 0.000 0.441 470 D N 4.669 125.083 120.400 0.023 0.000 2.414 470 D HA -0.022 4.625 4.640 0.012 0.000 0.259 470 D C 1.295 177.557 176.300 -0.064 0.000 1.269 470 D CA 0.026 54.070 54.000 0.074 0.000 1.028 470 D CB 0.303 41.087 40.800 -0.027 0.000 1.093 470 D HN 0.608 nan 8.370 nan 0.000 0.545 471 H N -0.807 118.210 119.070 -0.088 0.000 2.545 471 H HA 0.045 4.608 4.556 0.011 0.000 0.282 471 H C 0.654 175.715 175.328 -0.444 0.000 1.020 471 H CA 0.665 56.492 56.048 -0.368 0.000 1.243 471 H CB -0.190 29.415 29.762 -0.261 0.000 1.377 471 H HN 0.370 nan 8.280 nan 0.000 0.581 472 R N -0.495 119.601 120.500 -0.674 0.000 2.468 472 R HA 0.117 4.464 4.340 0.012 0.000 0.280 472 R C -0.472 175.906 176.300 0.131 0.000 0.963 472 R CA -0.237 55.688 56.100 -0.292 0.000 1.083 472 R CB 0.205 30.262 30.300 -0.405 0.000 1.200 472 R HN 0.081 nan 8.270 nan 0.000 0.541 473 F N -0.209 119.612 119.950 -0.214 0.000 2.965 473 F HA -0.237 4.297 4.527 0.011 0.000 0.287 473 F C -0.362 175.409 175.800 -0.048 0.000 0.790 473 F CA 0.245 58.183 58.000 -0.103 0.000 1.279 473 F CB -1.768 37.193 39.000 -0.065 0.000 1.409 473 F HN 0.002 nan 8.300 nan 0.000 0.446 474 L N 0.588 121.840 121.223 0.048 0.000 2.325 474 L HA 0.578 4.925 4.340 0.012 0.000 0.278 474 L C 0.155 177.055 176.870 0.050 0.000 1.023 474 L CA -1.300 53.584 54.840 0.073 0.000 0.811 474 L CB 1.391 43.470 42.059 0.032 0.000 1.249 474 L HN 0.009 nan 8.230 nan 0.000 0.431 475 L N 3.142 124.409 121.223 0.074 0.000 2.410 475 L HA 0.218 4.565 4.340 0.012 0.000 0.273 475 L C 0.494 177.389 176.870 0.041 0.000 1.144 475 L CA 0.282 55.126 54.840 0.007 0.000 0.863 475 L CB 0.423 42.409 42.059 -0.122 0.000 1.140 475 L HN 0.477 nan 8.230 nan 0.000 0.463 476 R N 4.096 124.614 120.500 0.029 0.000 2.698 476 R HA 0.316 4.663 4.340 0.012 0.000 0.266 476 R C -0.401 175.978 176.300 0.133 0.000 1.026 476 R CA 0.511 56.643 56.100 0.053 0.000 1.102 476 R CB 0.334 30.590 30.300 -0.073 0.000 0.978 476 R HN 0.800 nan 8.270 nan 0.000 0.436 477 R N 1.693 122.332 120.500 0.231 0.000 2.680 477 R HA 0.534 4.881 4.340 0.012 0.000 0.269 477 R C -1.181 175.263 176.300 0.241 0.000 1.026 477 R CA 0.094 56.331 56.100 0.228 0.000 0.889 477 R CB 1.652 32.037 30.300 0.142 0.000 1.241 477 R HN 0.842 nan 8.270 nan 0.000 0.463 478 G N 1.797 110.689 108.800 0.153 0.000 2.409 478 G HA2 -0.093 3.874 3.960 0.012 0.000 0.421 478 G HA3 -0.093 3.874 3.960 0.012 0.000 0.421 478 G C -1.535 173.291 174.900 -0.124 0.000 1.259 478 G CA -0.765 44.310 45.100 -0.041 0.000 1.011 478 G HN 0.514 nan 8.290 nan 0.000 0.497 479 E N -0.364 119.649 120.200 -0.312 0.000 2.277 479 E HA 0.632 4.989 4.350 0.012 0.000 0.274 479 E C -1.117 175.110 176.600 -0.622 0.000 1.022 479 E CA -0.059 56.183 56.400 -0.264 0.000 0.853 479 E CB 1.533 31.129 29.700 -0.174 0.000 1.086 479 E HN 0.424 nan 8.360 nan 0.000 0.397 480 Y N -0.610 119.662 120.300 -0.046 0.000 2.504 480 Y HA 0.312 4.870 4.550 0.012 0.000 0.344 480 Y C -0.385 175.477 175.900 -0.063 0.000 1.023 480 Y CA -0.900 57.166 58.100 -0.057 0.000 1.020 480 Y CB 2.064 40.476 38.460 -0.080 0.000 1.282 480 Y HN 0.105 nan 8.280 nan 0.000 0.454 481 V N 5.242 125.188 119.914 0.053 0.000 2.357 481 V HA 0.384 4.511 4.120 0.012 0.000 0.281 481 V C -0.746 175.293 176.094 -0.091 0.000 1.015 481 V CA -0.661 61.606 62.300 -0.055 0.000 0.827 481 V CB 0.825 32.602 31.823 -0.076 0.000 1.018 481 V HN 0.542 nan 8.190 nan 0.000 0.432 482 L N 4.551 125.703 121.223 -0.118 0.000 2.282 482 L HA 0.587 4.934 4.340 0.012 0.000 0.288 482 L C 0.048 176.744 176.870 -0.292 0.000 1.033 482 L CA -0.640 54.133 54.840 -0.112 0.000 0.807 482 L CB 0.998 43.047 42.059 -0.018 0.000 1.209 482 L HN 0.516 nan 8.230 nan 0.000 0.423 483 H N 4.683 123.663 119.070 -0.151 0.000 2.668 483 H HA 0.390 4.953 4.556 0.012 0.000 0.303 483 H C -0.197 174.888 175.328 -0.405 0.000 1.074 483 H CA -0.140 55.760 56.048 -0.248 0.000 1.406 483 H CB 1.272 30.884 29.762 -0.250 0.000 1.442 483 H HN 0.512 nan 8.280 nan 0.000 0.482 484 M N 2.001 121.422 119.600 -0.298 0.000 2.371 484 M HA 0.233 4.720 4.480 0.012 0.000 0.301 484 M C -0.468 175.550 176.300 -0.470 0.000 1.173 484 M CA -0.534 54.547 55.300 -0.365 0.000 1.020 484 M CB 1.218 33.723 32.600 -0.159 0.000 1.490 484 M HN 0.411 nan 8.290 nan 0.000 0.485 485 W N 0.874 121.980 121.300 -0.324 0.000 2.390 485 W HA 0.443 5.110 4.660 0.012 0.000 0.312 485 W C -0.097 176.331 176.519 -0.152 0.000 1.123 485 W CA -0.396 56.750 57.345 -0.332 0.000 1.202 485 W CB 0.658 29.724 29.460 -0.657 0.000 1.251 485 W HN 0.486 nan 8.180 nan 0.000 0.511 486 Q N 3.434 123.365 119.800 0.220 0.000 2.256 486 Q HA 0.289 4.636 4.340 0.012 0.000 0.254 486 Q C -0.239 175.803 176.000 0.070 0.000 0.916 486 Q CA -0.659 55.159 55.803 0.025 0.000 0.932 486 Q CB 0.775 29.526 28.738 0.022 0.000 1.207 486 Q HN 0.348 nan 8.270 nan 0.000 0.426 487 I N 3.510 124.071 120.570 -0.014 0.000 2.648 487 I HA -0.011 4.166 4.170 0.012 0.000 0.284 487 I C 0.303 176.417 176.117 -0.005 0.000 1.153 487 I CA 0.402 61.728 61.300 0.043 0.000 1.426 487 I CB 0.748 38.740 38.000 -0.013 0.000 1.381 487 I HN 0.736 nan 8.210 nan 0.000 0.571 488 S N 4.864 120.578 115.700 0.024 0.000 2.430 488 S HA 0.510 4.987 4.470 0.012 0.000 0.289 488 S C 0.506 175.100 174.600 -0.009 0.000 1.143 488 S CA -0.771 57.437 58.200 0.015 0.000 1.067 488 S CB 1.052 64.274 63.200 0.036 0.000 0.964 488 S HN 0.848 nan 8.310 nan 0.000 0.485 498 N N 2.104 120.926 118.700 0.202 0.000 2.381 498 N HA 0.233 4.980 4.740 0.012 0.000 0.241 498 N C 0.723 176.259 175.510 0.042 0.000 1.279 498 N CA 0.575 53.668 53.050 0.072 0.000 0.896 498 N CB 0.805 39.290 38.487 -0.002 0.000 1.118 498 N HN 0.760 nan 8.380 nan 0.000 0.438 499 A N 1.173 124.010 122.820 0.029 0.000 2.032 499 A HA -0.206 4.121 4.320 0.012 0.000 0.221 499 A C 1.463 179.071 177.584 0.040 0.000 1.165 499 A CA 1.694 53.726 52.037 -0.009 0.000 0.645 499 A CB -0.555 18.256 19.000 -0.315 0.000 0.807 499 A HN 0.773 nan 8.150 nan 0.000 0.453 500 D N -0.409 119.946 120.400 -0.075 0.000 2.218 500 D HA -0.091 4.556 4.640 0.012 0.000 0.204 500 D C 1.733 177.906 176.300 -0.211 0.000 0.976 500 D CA 0.991 54.819 54.000 -0.288 0.000 0.853 500 D CB -0.191 40.132 40.800 -0.794 0.000 0.939 500 D HN 0.471 nan 8.370 nan 0.000 0.481 501 K N -0.027 120.249 120.400 -0.207 0.000 2.365 501 K HA 0.032 4.359 4.320 0.012 0.000 0.199 501 K C 1.450 177.976 176.600 -0.122 0.000 1.045 501 K CA 0.300 56.353 56.287 -0.389 0.000 0.962 501 K CB 0.162 32.423 32.500 -0.398 0.000 0.759 501 K HN 0.195 nan 8.250 nan 0.000 0.469 502 L N 0.033 121.255 121.223 -0.001 0.000 2.607 502 L HA 0.068 4.415 4.340 0.012 0.000 0.228 502 L C 1.033 177.949 176.870 0.077 0.000 1.123 502 L CA -0.126 54.743 54.840 0.048 0.000 0.890 502 L CB 0.355 42.466 42.059 0.087 0.000 1.103 502 L HN -0.091 nan 8.230 nan 0.000 0.468 503 T N -0.476 114.107 114.554 0.049 0.000 2.919 503 T HA 0.066 4.423 4.350 0.012 0.000 0.302 503 T C 1.269 175.987 174.700 0.029 0.000 1.031 503 T CA 0.200 62.248 62.100 -0.087 0.000 1.127 503 T CB 0.971 69.551 68.868 -0.481 0.000 0.952 503 T HN 0.343 nan 8.240 nan 0.000 0.540 504 S N 2.934 118.626 115.700 -0.014 0.000 2.575 504 S HA 0.414 4.891 4.470 0.012 0.000 0.215 504 S C 0.839 175.478 174.600 0.066 0.000 0.966 504 S CA -0.244 57.971 58.200 0.026 0.000 0.911 504 S CB 0.046 63.208 63.200 -0.064 0.000 0.780 504 S HN 0.864 nan 8.310 nan 0.000 0.514 505 A N 2.209 125.068 122.820 0.065 0.000 2.304 505 A HA 0.624 4.951 4.320 0.012 0.000 0.271 505 A C 0.664 178.418 177.584 0.284 0.000 1.091 505 A CA -0.223 51.878 52.037 0.108 0.000 0.812 505 A CB 0.277 19.311 19.000 0.057 0.000 1.056 505 A HN 0.545 nan 8.150 nan 0.000 0.489 506 T N -0.361 114.261 114.554 0.115 0.000 2.948 506 T HA 0.388 4.745 4.350 0.012 0.000 0.285 506 T C 0.079 174.502 174.700 -0.462 0.000 1.019 506 T CA -0.976 61.061 62.100 -0.104 0.000 1.013 506 T CB 0.733 69.566 68.868 -0.059 0.000 1.117 506 T HN 0.561 nan 8.240 nan 0.000 0.533 507 N N 1.954 120.000 118.700 -1.091 0.000 2.452 507 N HA 0.142 4.889 4.740 0.012 0.000 0.266 507 N C -1.729 173.470 175.510 -0.519 0.000 1.209 507 N CA -1.826 50.452 53.050 -1.287 0.000 0.929 507 N CB 1.124 38.909 38.487 -1.171 0.000 1.063 507 N HN 0.332 nan 8.380 nan 0.000 0.472 508 P HA -0.060 nan 4.420 nan 0.000 0.220 508 P C -0.106 177.080 177.300 -0.190 0.000 1.148 508 P CA 0.820 63.824 63.100 -0.160 0.000 0.803 508 P CB 0.157 31.838 31.700 -0.031 0.000 0.782 509 D N 0.207 120.486 120.400 -0.202 0.000 2.416 509 D HA 0.010 4.657 4.640 0.012 0.000 0.240 509 D C 0.728 176.869 176.300 -0.265 0.000 1.250 509 D CA 0.072 53.969 54.000 -0.171 0.000 0.967 509 D CB 0.342 41.079 40.800 -0.105 0.000 1.059 509 D HN -0.196 nan 8.370 nan 0.000 0.512 510 K N 1.840 122.037 120.400 -0.339 0.000 2.418 510 K HA 0.033 4.360 4.320 0.012 0.000 0.195 510 K C 1.482 177.925 176.600 -0.262 0.000 1.035 510 K CA 0.549 56.495 56.287 -0.568 0.000 1.003 510 K CB 0.369 32.523 32.500 -0.578 0.000 0.793 510 K HN 0.422 nan 8.250 nan 0.000 0.494 511 E N 0.127 120.240 120.200 -0.145 0.000 2.060 511 E HA 0.045 4.402 4.350 0.012 0.000 0.189 511 E C 0.397 176.976 176.600 -0.035 0.000 0.974 511 E CA 0.741 57.099 56.400 -0.069 0.000 0.808 511 E CB 0.205 29.872 29.700 -0.055 0.000 0.768 511 E HN 0.213 nan 8.360 nan 0.000 0.453 512 N N 0.740 119.419 118.700 -0.035 0.000 2.328 512 N HA 0.062 4.809 4.740 0.012 0.000 0.247 512 N C -0.593 174.920 175.510 0.005 0.000 1.165 512 N CA 0.085 53.130 53.050 -0.008 0.000 0.873 512 N CB 1.154 39.641 38.487 -0.001 0.000 1.125 512 N HN 0.002 nan 8.380 nan 0.000 0.513 513 S N -0.091 115.610 115.700 0.001 0.000 2.664 513 S HA 0.584 5.061 4.470 0.012 0.000 0.304 513 S C 0.031 174.624 174.600 -0.011 0.000 1.099 513 S CA -0.790 57.413 58.200 0.006 0.000 1.003 513 S CB 2.183 65.357 63.200 -0.043 0.000 1.092 513 S HN 0.061 nan 8.310 nan 0.000 0.525 514 M N 2.911 122.442 119.600 -0.114 0.000 2.238 514 M HA 0.478 4.965 4.480 0.012 0.000 0.347 514 M C -0.200 175.961 176.300 -0.232 0.000 1.173 514 M CA 0.224 55.351 55.300 -0.288 0.000 1.147 514 M CB 0.564 32.657 32.600 -0.846 0.000 1.547 514 M HN 0.947 nan 8.290 nan 0.000 0.455 515 S N 5.402 120.959 115.700 -0.238 0.000 2.570 515 S HA 0.811 5.288 4.470 0.012 0.000 0.286 515 S C -0.876 173.595 174.600 -0.216 0.000 1.099 515 S CA -1.024 56.981 58.200 -0.324 0.000 0.913 515 S CB 1.344 64.250 63.200 -0.491 0.000 1.085 515 S HN 0.951 nan 8.310 nan 0.000 0.480 516 I N 1.732 122.187 120.570 -0.192 0.000 2.499 516 I HA 0.530 4.707 4.170 0.012 0.000 0.288 516 I C -1.129 174.943 176.117 -0.075 0.000 1.048 516 I CA -0.338 60.905 61.300 -0.094 0.000 1.062 516 I CB 2.052 40.014 38.000 -0.063 0.000 1.238 516 I HN 0.801 nan 8.210 nan 0.000 0.426 517 S N 8.240 123.917 115.700 -0.040 0.000 2.462 517 S HA 0.732 5.209 4.470 0.012 0.000 0.294 517 S C -0.407 174.189 174.600 -0.006 0.000 1.144 517 S CA -0.584 57.600 58.200 -0.026 0.000 1.088 517 S CB 1.267 64.446 63.200 -0.035 0.000 1.009 517 S HN 0.579 nan 8.310 nan 0.000 0.484 518 I N -0.227 120.353 120.570 0.018 0.000 3.095 518 I HA 0.797 4.974 4.170 0.012 0.000 0.310 518 I C -1.812 174.322 176.117 0.028 0.000 1.196 518 I CA -1.442 59.864 61.300 0.010 0.000 0.985 518 I CB 1.830 39.858 38.000 0.046 0.000 1.250 518 I HN 0.501 nan 8.210 nan 0.000 0.446 519 L N 3.725 124.928 121.223 -0.034 0.000 2.385 519 L HA 0.744 5.091 4.340 0.012 0.000 0.273 519 L C -1.924 175.005 176.870 0.099 0.000 0.990 519 L CA -0.474 54.366 54.840 0.001 0.000 0.821 519 L CB 1.739 43.728 42.059 -0.118 0.000 1.279 519 L HN 0.630 nan 8.230 nan 0.000 0.412 520 L N 4.434 125.769 121.223 0.187 0.000 2.362 520 L HA 0.680 5.027 4.340 0.012 0.000 0.275 520 L C -1.192 175.786 176.870 0.181 0.000 0.998 520 L CA -0.086 54.869 54.840 0.192 0.000 0.820 520 L CB 1.717 43.904 42.059 0.213 0.000 1.270 520 L HN 0.604 nan 8.230 nan 0.000 0.415 521 D N 3.135 123.622 120.400 0.145 0.000 2.470 521 D HA 0.420 5.067 4.640 0.012 0.000 0.233 521 D C -1.283 175.028 176.300 0.017 0.000 1.372 521 D CA -0.177 53.884 54.000 0.101 0.000 0.994 521 D CB 1.286 42.169 40.800 0.139 0.000 1.377 521 D HN 0.474 nan 8.370 nan 0.000 0.586 526 P HA 0.372 nan 4.420 nan 0.000 0.297 526 P C 0.073 177.483 177.300 0.183 0.000 1.303 526 P CA 0.209 63.461 63.100 0.253 0.000 0.753 526 P CB 0.682 32.471 31.700 0.148 0.000 1.281 527 I N -3.820 116.836 120.570 0.143 0.000 6.379 527 I HA -0.265 3.912 4.170 0.012 0.000 0.126 527 I C 0.629 176.785 176.117 0.066 0.000 1.821 527 I CA -0.023 61.357 61.300 0.133 0.000 2.063 527 I CB -2.202 35.953 38.000 0.258 0.000 3.472 527 I HN 0.349 nan 8.210 nan 0.000 0.177 545 A N 1.794 124.616 122.820 0.004 0.000 2.605 545 A HA -0.083 4.244 4.320 0.012 0.000 0.271 545 A C -0.667 176.983 177.584 0.109 0.000 1.365 545 A CA 1.076 53.147 52.037 0.058 0.000 0.719 545 A CB -1.596 17.428 19.000 0.041 0.000 1.130 545 A HN 0.489 nan 8.150 nan 0.000 0.361 546 E N 2.072 122.319 120.200 0.079 0.000 2.313 546 E HA 0.567 4.924 4.350 0.012 0.000 0.276 546 E C 0.771 177.402 176.600 0.053 0.000 1.031 546 E CA -0.381 56.056 56.400 0.062 0.000 0.857 546 E CB 0.439 30.154 29.700 0.025 0.000 1.040 546 E HN 0.560 nan 8.360 nan 0.000 0.408 547 M N 5.639 125.214 119.600 -0.041 0.000 2.260 547 M HA 0.097 4.584 4.480 0.012 0.000 0.348 547 M C -1.835 174.362 176.300 -0.172 0.000 1.342 547 M CA -1.173 53.960 55.300 -0.278 0.000 1.040 547 M CB 0.266 32.566 32.600 -0.500 0.000 1.810 547 M HN 0.412 nan 8.290 nan 0.000 0.453 548 P HA 0.090 nan 4.420 nan 0.000 0.272 548 P C 0.039 177.278 177.300 -0.102 0.000 1.223 548 P CA -0.151 62.902 63.100 -0.078 0.000 0.784 548 P CB 0.483 32.161 31.700 -0.037 0.000 0.923 549 N N 1.693 120.355 118.700 -0.063 0.000 2.049 549 N HA -0.281 4.466 4.740 0.012 0.000 0.198 549 N C 1.478 176.948 175.510 -0.067 0.000 1.030 549 N CA 2.031 55.046 53.050 -0.058 0.000 0.870 549 N CB -0.275 38.191 38.487 -0.036 0.000 1.045 549 N HN 0.407 nan 8.380 nan 0.000 0.434 550 Q N -0.565 119.202 119.800 -0.057 0.000 2.123 550 Q HA 0.100 4.447 4.340 0.012 0.000 0.199 550 Q C 2.100 178.057 176.000 -0.071 0.000 0.966 550 Q CA 0.888 56.660 55.803 -0.052 0.000 0.845 550 Q CB -0.024 28.695 28.738 -0.032 0.000 0.907 550 Q HN 0.424 nan 8.270 nan 0.000 0.439 551 L N 0.096 121.259 121.223 -0.101 0.000 2.141 551 L HA -0.140 4.207 4.340 0.012 0.000 0.209 551 L C 2.496 179.248 176.870 -0.197 0.000 1.094 551 L CA 1.079 55.837 54.840 -0.136 0.000 0.763 551 L CB -0.326 41.623 42.059 -0.184 0.000 0.908 551 L HN 0.216 nan 8.230 nan 0.000 0.437 552 R N 0.820 121.193 120.500 -0.211 0.000 2.115 552 R HA -0.175 4.172 4.340 0.012 0.000 0.230 552 R C 2.125 178.353 176.300 -0.121 0.000 1.111 552 R CA 1.308 57.294 56.100 -0.190 0.000 0.976 552 R CB 0.025 30.233 30.300 -0.152 0.000 0.870 552 R HN 0.214 nan 8.270 nan 0.000 0.445 553 K N 0.059 120.406 120.400 -0.089 0.000 2.148 553 K HA -0.121 4.206 4.320 0.012 0.000 0.204 553 K C 2.220 178.785 176.600 -0.059 0.000 1.050 553 K CA 1.588 57.838 56.287 -0.062 0.000 0.942 553 K CB 0.066 32.539 32.500 -0.044 0.000 0.724 553 K HN 0.258 nan 8.250 nan 0.000 0.446 554 Q N 0.376 120.140 119.800 -0.059 0.000 2.119 554 Q HA -0.119 4.228 4.340 0.012 0.000 0.201 554 Q C 2.020 177.990 176.000 -0.051 0.000 0.972 554 Q CA 0.953 56.731 55.803 -0.041 0.000 0.847 554 Q CB -0.015 28.709 28.738 -0.025 0.000 0.903 554 Q HN 0.166 nan 8.270 nan 0.000 0.433 555 L N 1.160 122.336 121.223 -0.079 0.000 1.989 555 L HA -0.229 4.118 4.340 0.012 0.000 0.211 555 L C 1.750 178.545 176.870 -0.125 0.000 1.071 555 L CA 1.912 56.693 54.840 -0.098 0.000 0.749 555 L CB -0.216 41.756 42.059 -0.144 0.000 0.890 555 L HN 0.167 nan 8.230 nan 0.000 0.431 556 E N -0.530 119.589 120.200 -0.134 0.000 2.153 556 E HA -0.217 4.140 4.350 0.012 0.000 0.194 556 E C 2.122 178.679 176.600 -0.070 0.000 0.988 556 E CA 0.984 57.310 56.400 -0.123 0.000 0.811 556 E CB -0.315 29.336 29.700 -0.080 0.000 0.746 556 E HN 0.683 nan 8.360 nan 0.000 0.466 557 A N 1.207 123.995 122.820 -0.052 0.000 1.873 557 A HA -0.142 4.185 4.320 0.012 0.000 0.215 557 A C 2.172 179.740 177.584 -0.027 0.000 1.186 557 A CA 0.912 52.929 52.037 -0.032 0.000 0.616 557 A CB -0.495 18.490 19.000 -0.025 0.000 0.823 557 A HN 0.129 nan 8.150 nan 0.000 0.442 558 I N -0.278 120.274 120.570 -0.031 0.000 2.264 558 I HA -0.270 3.907 4.170 0.012 0.000 0.248 558 I C 2.224 178.330 176.117 -0.018 0.000 1.111 558 I CA 1.293 62.582 61.300 -0.018 0.000 1.382 558 I CB -0.241 37.751 38.000 -0.015 0.000 1.060 558 I HN 0.323 nan 8.210 nan 0.000 0.418 559 I N 0.427 120.973 120.570 -0.041 0.000 2.353 559 I HA -0.214 3.963 4.170 0.012 0.000 0.248 559 I C 2.650 178.763 176.117 -0.007 0.000 1.119 559 I CA 1.117 62.398 61.300 -0.032 0.000 1.417 559 I CB -0.358 37.591 38.000 -0.084 0.000 1.078 559 I HN 0.147 nan 8.210 nan 0.000 0.421 560 A N 0.360 123.172 122.820 -0.014 0.000 2.066 560 A HA -0.076 4.250 4.320 0.012 0.000 0.218 560 A C 1.540 179.123 177.584 -0.001 0.000 1.157 560 A CA 1.125 53.159 52.037 -0.005 0.000 0.670 560 A CB -1.061 17.933 19.000 -0.010 0.000 0.804 560 A HN 0.508 nan 8.150 nan 0.000 0.453 561 T N 0.145 114.699 114.554 0.000 0.000 2.855 561 T HA 0.275 4.632 4.350 0.012 0.000 0.322 561 T C 0.015 174.722 174.700 0.012 0.000 1.088 561 T CA 0.065 62.167 62.100 0.004 0.000 1.104 561 T CB 0.033 68.905 68.868 0.007 0.000 0.996 561 T HN 0.545 nan 8.240 nan 0.000 0.549 562 D N 1.448 121.854 120.400 0.010 0.000 2.344 562 D HA 0.280 4.927 4.640 0.012 0.000 0.244 562 D C -1.840 174.479 176.300 0.031 0.000 1.134 562 D CA -1.850 52.160 54.000 0.017 0.000 0.930 562 D CB 0.217 41.022 40.800 0.008 0.000 1.175 562 D HN 0.196 nan 8.370 nan 0.000 0.437 563 P HA -0.146 nan 4.420 nan 0.000 0.218 563 P C 0.874 178.205 177.300 0.051 0.000 1.146 563 P CA 1.098 64.234 63.100 0.059 0.000 0.820 563 P CB 0.076 31.817 31.700 0.068 0.000 0.778 564 L N -2.721 118.528 121.223 0.043 0.000 2.567 564 L HA 0.094 4.441 4.340 0.012 0.000 0.225 564 L C 0.936 177.823 176.870 0.029 0.000 1.119 564 L CA -0.218 54.645 54.840 0.039 0.000 0.871 564 L CB -0.734 41.355 42.059 0.050 0.000 1.036 564 L HN -0.050 nan 8.230 nan 0.000 0.459 565 N N 2.183 120.898 118.700 0.025 0.000 2.454 565 N HA 0.065 4.812 4.740 0.012 0.000 0.260 565 N C -2.157 173.364 175.510 0.019 0.000 1.218 565 N CA -1.077 51.984 53.050 0.019 0.000 0.904 565 N CB 0.557 39.053 38.487 0.016 0.000 1.065 565 N HN -0.052 nan 8.380 nan 0.000 0.462 566 P HA 0.106 nan 4.420 nan 0.000 0.276 566 P C -0.747 176.561 177.300 0.013 0.000 1.230 566 P CA -0.066 63.041 63.100 0.012 0.000 0.776 566 P CB 0.733 32.439 31.700 0.010 0.000 0.888 567 L N 2.935 124.166 121.223 0.013 0.000 2.260 567 L HA 0.212 4.559 4.340 0.012 0.000 0.289 567 L C 1.108 177.986 176.870 0.014 0.000 1.057 567 L CA -0.223 54.628 54.840 0.018 0.000 0.811 567 L CB 0.871 42.945 42.059 0.025 0.000 1.184 567 L HN 0.396 nan 8.230 nan 0.000 0.429 568 T N 1.858 116.421 114.554 0.015 0.000 2.813 568 T HA 0.132 4.489 4.350 0.012 0.000 0.297 568 T C 1.303 176.012 174.700 0.015 0.000 1.036 568 T CA 0.205 62.313 62.100 0.012 0.000 1.044 568 T CB 1.648 70.524 68.868 0.013 0.000 0.993 568 T HN 0.755 nan 8.240 nan 0.000 0.535 569 A N 0.959 123.785 122.820 0.010 0.000 1.908 569 A HA -0.108 4.219 4.320 0.012 0.000 0.218 569 A C 2.188 179.785 177.584 0.021 0.000 1.181 569 A CA 1.477 53.519 52.037 0.009 0.000 0.627 569 A CB -0.563 18.438 19.000 0.002 0.000 0.818 569 A HN 0.909 nan 8.150 nan 0.000 0.445 570 E N -0.171 120.042 120.200 0.022 0.000 2.110 570 E HA -0.201 4.156 4.350 0.012 0.000 0.193 570 E C 1.354 177.983 176.600 0.048 0.000 0.988 570 E CA 1.370 57.789 56.400 0.032 0.000 0.804 570 E CB -0.183 29.532 29.700 0.025 0.000 0.745 570 E HN 0.591 nan 8.360 nan 0.000 0.458 571 D N 0.575 121.000 120.400 0.041 0.000 2.097 571 D HA -0.142 4.505 4.640 0.012 0.000 0.195 571 D C 1.858 178.198 176.300 0.067 0.000 0.989 571 D CA 1.046 55.074 54.000 0.048 0.000 0.827 571 D CB -0.148 40.672 40.800 0.034 0.000 0.966 571 D HN 0.161 nan 8.370 nan 0.000 0.456 572 K N 0.834 121.270 120.400 0.060 0.000 2.057 572 K HA -0.115 4.212 4.320 0.012 0.000 0.207 572 K C 2.107 178.782 176.600 0.125 0.000 1.049 572 K CA 0.887 57.219 56.287 0.075 0.000 0.931 572 K CB -0.088 32.434 32.500 0.037 0.000 0.714 572 K HN 0.253 nan 8.250 nan 0.000 0.440 573 E N 1.076 121.341 120.200 0.109 0.000 2.085 573 E HA -0.178 4.179 4.350 0.012 0.000 0.194 573 E C 2.164 178.875 176.600 0.186 0.000 0.994 573 E CA 0.827 57.315 56.400 0.147 0.000 0.801 573 E CB -0.114 29.637 29.700 0.084 0.000 0.743 573 E HN 0.263 nan 8.360 nan 0.000 0.453 574 L N 0.549 121.875 121.223 0.171 0.000 2.027 574 L HA -0.191 4.156 4.340 0.012 0.000 0.206 574 L C 2.388 179.411 176.870 0.255 0.000 1.074 574 L CA 0.618 55.610 54.840 0.254 0.000 0.745 574 L CB -0.176 42.006 42.059 0.204 0.000 0.898 574 L HN 0.214 nan 8.230 nan 0.000 0.433 575 L N -0.882 120.442 121.223 0.168 0.000 2.083 575 L HA -0.286 4.061 4.340 0.012 0.000 0.209 575 L C 2.098 179.034 176.870 0.109 0.000 1.083 575 L CA 1.829 56.738 54.840 0.115 0.000 0.752 575 L CB -1.316 40.790 42.059 0.078 0.000 0.899 575 L HN 0.494 nan 8.230 nan 0.000 0.433 576 W N -0.380 120.903 121.300 -0.028 0.000 2.444 576 W HA -0.201 4.460 4.660 0.003 0.000 0.308 576 W C 2.680 179.143 176.519 -0.094 0.000 1.183 576 W CA 1.403 58.701 57.345 -0.077 0.000 1.340 576 W CB -0.489 28.923 29.460 -0.079 0.000 1.138 576 W HN 0.312 nan 8.180 nan 0.000 0.510 577 H N -0.237 118.676 119.070 -0.262 0.000 2.319 577 H HA -0.210 4.357 4.556 0.019 0.000 0.297 577 H C 0.649 175.590 175.328 -0.644 0.000 1.097 577 H CA 1.990 57.727 56.048 -0.519 0.000 1.285 577 H CB -0.798 28.633 29.762 -0.553 0.000 1.368 577 H HN 0.037 nan 8.280 nan 0.000 0.495 578 F N 0.959 120.820 119.950 -0.148 0.000 2.898 578 F HA 0.218 4.739 4.527 -0.010 0.000 0.290 578 F C 1.938 177.624 175.800 -0.191 0.000 1.195 578 F CA -0.360 57.552 58.000 -0.146 0.000 1.387 578 F CB -0.017 38.971 39.000 -0.020 0.000 0.976 578 F HN -0.034 nan 8.300 nan 0.000 0.510 579 R N -0.164 120.160 120.500 -0.293 0.000 2.159 579 R HA -0.273 4.074 4.340 0.012 0.000 0.249 579 R C 1.480 177.539 176.300 -0.402 0.000 1.136 579 R CA 2.313 58.120 56.100 -0.489 0.000 0.951 579 R CB -0.465 29.297 30.300 -0.898 0.000 0.876 579 R HN 0.362 nan 8.270 nan 0.000 0.440 580 Y N -0.626 119.569 120.300 -0.175 0.000 2.421 580 Y HA -0.124 4.431 4.550 0.009 0.000 0.292 580 Y C 2.252 178.152 175.900 -0.001 0.000 1.136 580 Y CA 1.219 59.269 58.100 -0.084 0.000 1.255 580 Y CB -0.074 38.335 38.460 -0.085 0.000 0.991 580 Y HN 0.227 nan 8.280 nan 0.000 0.552 581 E N -0.167 120.123 120.200 0.150 0.000 2.086 581 E HA -0.090 4.267 4.350 0.012 0.000 0.190 581 E C 2.164 178.877 176.600 0.189 0.000 0.975 581 E CA 1.365 57.864 56.400 0.165 0.000 0.813 581 E CB -0.242 29.546 29.700 0.147 0.000 0.768 581 E HN 0.146 nan 8.360 nan 0.000 0.457 582 S N 0.750 116.497 115.700 0.078 0.000 2.370 582 S HA -0.169 4.308 4.470 0.012 0.000 0.226 582 S C 1.858 176.509 174.600 0.084 0.000 1.033 582 S CA 1.194 59.418 58.200 0.039 0.000 1.011 582 S CB -0.539 62.597 63.200 -0.105 0.000 0.852 582 S HN 0.483 nan 8.310 nan 0.000 0.457 583 L N 1.026 122.224 121.223 -0.042 0.000 2.551 583 L HA -0.051 4.296 4.340 0.012 0.000 0.230 583 L C 1.260 178.294 176.870 0.274 0.000 1.163 583 L CA 1.329 56.164 54.840 -0.008 0.000 0.826 583 L CB -0.184 41.810 42.059 -0.109 0.000 0.943 583 L HN 0.174 nan 8.230 nan 0.000 0.452 584 K N -0.938 119.600 120.400 0.229 0.000 2.374 584 K HA 0.168 4.495 4.320 0.012 0.000 0.196 584 K C -0.446 176.105 176.600 -0.082 0.000 1.023 584 K CA 0.019 56.350 56.287 0.075 0.000 1.103 584 K CB 0.205 32.674 32.500 -0.052 0.000 0.848 584 K HN 0.448 nan 8.250 nan 0.000 0.528 585 H N -0.089 119.110 119.070 0.213 0.000 2.791 585 H HA 0.126 4.692 4.556 0.018 0.000 0.272 585 H C -2.325 173.146 175.328 0.238 0.000 1.188 585 H CA -1.972 54.171 56.048 0.158 0.000 1.436 585 H CB 1.665 31.488 29.762 0.103 0.000 1.467 585 H HN -0.140 nan 8.280 nan 0.000 0.500 586 P HA -0.206 nan 4.420 nan 0.000 0.217 586 P C 1.324 178.648 177.300 0.039 0.000 1.151 586 P CA 1.576 64.561 63.100 -0.193 0.000 0.849 586 P CB 0.359 31.968 31.700 -0.151 0.000 0.787 587 K N -1.137 119.335 120.400 0.120 0.000 2.362 587 K HA 0.023 4.350 4.320 0.012 0.000 0.200 587 K C 1.907 178.602 176.600 0.158 0.000 1.046 587 K CA 1.031 57.390 56.287 0.121 0.000 0.952 587 K CB -0.298 32.252 32.500 0.083 0.000 0.753 587 K HN 0.097 nan 8.250 nan 0.000 0.466 588 A N 0.138 123.101 122.820 0.240 0.000 2.123 588 A HA -0.063 4.264 4.320 0.012 0.000 0.214 588 A C 1.338 178.981 177.584 0.098 0.000 1.152 588 A CA 0.515 52.643 52.037 0.153 0.000 0.728 588 A CB -0.375 18.695 19.000 0.115 0.000 0.814 588 A HN 0.176 nan 8.150 nan 0.000 0.464 589 Y N 0.591 120.789 120.300 -0.170 0.000 2.139 589 Y HA -0.163 4.394 4.550 0.012 0.000 0.282 589 Y C -0.328 175.320 175.900 -0.420 0.000 1.179 589 Y CA 2.224 60.053 58.100 -0.452 0.000 1.161 589 Y CB -1.793 36.474 38.460 -0.322 0.000 0.970 589 Y HN 0.321 nan 8.280 nan 0.000 0.511 590 P HA -0.102 nan 4.420 nan 0.000 0.217 590 P C 1.555 179.040 177.300 0.309 0.000 1.154 590 P CA 1.596 64.838 63.100 0.237 0.000 0.841 590 P CB 0.105 31.962 31.700 0.261 0.000 0.788 591 K N -0.383 120.102 120.400 0.141 0.000 2.063 591 K HA -0.130 4.197 4.320 0.012 0.000 0.208 591 K C 2.042 178.679 176.600 0.063 0.000 1.048 591 K CA 1.080 57.428 56.287 0.102 0.000 0.928 591 K CB -1.395 31.136 32.500 0.052 0.000 0.713 591 K HN 0.136 nan 8.250 nan 0.000 0.442 592 L N 0.483 121.655 121.223 -0.084 0.000 2.017 592 L HA -0.093 4.254 4.340 0.012 0.000 0.208 592 L C 2.118 178.966 176.870 -0.037 0.000 1.073 592 L CA 1.577 56.313 54.840 -0.174 0.000 0.745 592 L CB -0.560 41.195 42.059 -0.507 0.000 0.894 592 L HN 0.059 nan 8.230 nan 0.000 0.432 593 F N -1.005 119.095 119.950 0.249 0.000 2.502 593 F HA -0.082 4.454 4.527 0.016 0.000 0.298 593 F C 2.112 178.229 175.800 0.528 0.000 1.111 593 F CA 0.586 58.851 58.000 0.442 0.000 1.445 593 F CB -0.240 39.090 39.000 0.551 0.000 1.081 593 F HN 0.059 nan 8.300 nan 0.000 0.558 594 S N -1.178 114.822 115.700 0.500 0.000 2.593 594 S HA -0.025 4.452 4.470 0.012 0.000 0.217 594 S C 1.633 176.334 174.600 0.169 0.000 0.966 594 S CA 0.330 58.699 58.200 0.281 0.000 0.914 594 S CB -0.009 63.266 63.200 0.125 0.000 0.776 594 S HN 0.151 nan 8.310 nan 0.000 0.523 595 S N 0.811 116.596 115.700 0.142 0.000 2.524 595 S HA 0.209 4.686 4.470 0.012 0.000 0.215 595 S C 0.597 175.105 174.600 -0.152 0.000 0.986 595 S CA -0.171 58.050 58.200 0.036 0.000 0.911 595 S CB 0.312 63.571 63.200 0.098 0.000 0.805 595 S HN 0.211 nan 8.310 nan 0.000 0.501 596 V N 3.109 122.870 119.914 -0.254 0.000 2.686 596 V HA 0.128 4.255 4.120 0.012 0.000 0.295 596 V C 0.488 176.070 176.094 -0.853 0.000 1.055 596 V CA -0.124 61.690 62.300 -0.811 0.000 1.050 596 V CB 0.864 31.961 31.823 -1.209 0.000 0.984 596 V HN 0.191 nan 8.190 nan 0.000 0.482 597 K N 4.523 124.396 120.400 -0.878 0.000 2.150 597 K HA 0.087 4.414 4.320 0.012 0.000 0.261 597 K C 0.265 176.524 176.600 -0.567 0.000 1.127 597 K CA 0.070 56.019 56.287 -0.564 0.000 0.989 597 K CB 0.283 32.496 32.500 -0.477 0.000 1.475 597 K HN 0.713 nan 8.250 nan 0.000 0.391 598 W N 0.892 122.049 121.300 -0.239 0.000 2.421 598 W HA -0.061 4.607 4.660 0.013 0.000 0.270 598 W C 1.872 178.189 176.519 -0.336 0.000 1.233 598 W CA 0.378 57.537 57.345 -0.310 0.000 1.226 598 W CB 0.131 29.352 29.460 -0.399 0.000 1.121 598 W HN 0.622 nan 8.180 nan 0.000 0.579 599 G N -0.662 108.068 108.800 -0.118 0.000 3.181 599 G HA2 0.000 3.967 3.960 0.012 0.000 0.219 599 G HA3 0.000 3.967 3.960 0.012 0.000 0.219 599 G C 0.450 175.269 174.900 -0.135 0.000 1.182 599 G CA -0.060 44.966 45.100 -0.124 0.000 0.791 599 G HN -0.069 nan 8.290 nan 0.000 0.537 600 Q N 0.129 119.821 119.800 -0.181 0.000 2.363 600 Q HA 0.232 4.579 4.340 0.012 0.000 0.265 600 Q C 0.763 176.656 176.000 -0.180 0.000 1.032 600 Q CA -0.568 55.132 55.803 -0.173 0.000 0.746 600 Q CB 1.901 30.513 28.738 -0.211 0.000 1.237 600 Q HN 0.298 nan 8.270 nan 0.000 0.475 601 Q N 2.743 122.467 119.800 -0.127 0.000 2.096 601 Q HA -0.251 4.096 4.340 0.012 0.000 0.208 601 Q C 0.721 176.642 176.000 -0.132 0.000 0.993 601 Q CA 2.489 58.224 55.803 -0.114 0.000 0.862 601 Q CB 0.338 29.037 28.738 -0.066 0.000 0.915 601 Q HN 0.608 nan 8.270 nan 0.000 0.416 602 E N -0.398 119.736 120.200 -0.109 0.000 2.106 602 E HA -0.093 4.264 4.350 0.012 0.000 0.192 602 E C 1.950 178.485 176.600 -0.108 0.000 0.984 602 E CA 1.404 57.753 56.400 -0.084 0.000 0.806 602 E CB -0.125 29.545 29.700 -0.051 0.000 0.750 602 E HN 0.464 nan 8.360 nan 0.000 0.458 603 I N -0.107 120.349 120.570 -0.190 0.000 2.202 603 I HA -0.232 3.945 4.170 0.012 0.000 0.242 603 I C 2.084 177.990 176.117 -0.352 0.000 1.091 603 I CA 0.614 61.737 61.300 -0.295 0.000 1.368 603 I CB -0.117 37.565 38.000 -0.531 0.000 1.058 603 I HN 0.008 nan 8.210 nan 0.000 0.410 604 V N 1.163 120.838 119.914 -0.399 0.000 2.332 604 V HA -0.337 3.790 4.120 0.012 0.000 0.248 604 V C 2.721 178.514 176.094 -0.501 0.000 1.055 604 V CA 2.045 64.062 62.300 -0.472 0.000 1.038 604 V CB -1.045 30.567 31.823 -0.351 0.000 0.651 604 V HN 0.510 nan 8.190 nan 0.000 0.450 605 A N -0.400 122.226 122.820 -0.324 0.000 1.908 605 A HA -0.257 4.070 4.320 0.012 0.000 0.218 605 A C 2.298 179.840 177.584 -0.069 0.000 1.181 605 A CA 2.017 53.927 52.037 -0.212 0.000 0.627 605 A CB -0.448 18.496 19.000 -0.093 0.000 0.818 605 A HN 0.544 nan 8.150 nan 0.000 0.445 606 K N -0.971 119.431 120.400 0.004 0.000 2.148 606 K HA -0.083 4.244 4.320 0.012 0.000 0.204 606 K C 2.032 178.744 176.600 0.186 0.000 1.050 606 K CA 1.593 57.964 56.287 0.140 0.000 0.942 606 K CB -0.305 32.366 32.500 0.286 0.000 0.724 606 K HN 0.498 nan 8.250 nan 0.000 0.446 607 T N 0.530 115.174 114.554 0.150 0.000 2.737 607 T HA -0.114 4.243 4.350 0.012 0.000 0.265 607 T C 1.649 176.527 174.700 0.297 0.000 1.038 607 T CA 1.067 63.292 62.100 0.208 0.000 1.144 607 T CB -0.345 68.548 68.868 0.042 0.000 0.866 607 T HN 0.309 nan 8.240 nan 0.000 0.434 608 Y N 1.543 121.892 120.300 0.083 0.000 2.274 608 Y HA -0.174 4.383 4.550 0.011 0.000 0.290 608 Y C 2.923 178.862 175.900 0.064 0.000 1.145 608 Y CA 0.413 58.555 58.100 0.070 0.000 1.203 608 Y CB -0.236 38.268 38.460 0.073 0.000 0.984 608 Y HN 0.328 nan 8.280 nan 0.000 0.533 609 Q N 0.169 120.106 119.800 0.228 0.000 2.119 609 Q HA -0.187 4.160 4.340 0.012 0.000 0.201 609 Q C 2.388 178.471 176.000 0.139 0.000 0.972 609 Q CA 0.971 56.873 55.803 0.164 0.000 0.847 609 Q CB -0.078 28.746 28.738 0.144 0.000 0.903 609 Q HN 0.534 nan 8.270 nan 0.000 0.433 610 L N 0.491 121.771 121.223 0.094 0.000 2.017 610 L HA -0.205 4.142 4.340 0.012 0.000 0.208 610 L C 2.136 179.029 176.870 0.037 0.000 1.073 610 L CA 1.264 56.085 54.840 -0.031 0.000 0.745 610 L CB -0.238 41.736 42.059 -0.142 0.000 0.894 610 L HN 0.325 nan 8.230 nan 0.000 0.432 611 L N -0.792 120.486 121.223 0.092 0.000 2.275 611 L HA -0.149 4.198 4.340 0.012 0.000 0.215 611 L C 2.743 179.663 176.870 0.082 0.000 1.119 611 L CA 0.643 55.529 54.840 0.077 0.000 0.790 611 L CB -0.696 41.384 42.059 0.035 0.000 0.919 611 L HN 0.262 nan 8.230 nan 0.000 0.443 612 A N 1.306 124.183 122.820 0.094 0.000 1.883 612 A HA -0.179 4.148 4.320 0.012 0.000 0.217 612 A C 1.536 179.179 177.584 0.099 0.000 1.186 612 A CA 1.174 53.265 52.037 0.091 0.000 0.624 612 A CB -0.481 18.579 19.000 0.100 0.000 0.822 612 A HN 0.537 nan 8.150 nan 0.000 0.444 613 R N -0.472 120.097 120.500 0.115 0.000 2.825 613 R HA 0.431 4.778 4.340 0.012 0.000 0.261 613 R C 0.219 176.603 176.300 0.140 0.000 1.341 613 R CA -0.344 55.831 56.100 0.125 0.000 1.353 613 R CB 0.185 30.574 30.300 0.149 0.000 1.191 613 R HN 0.343 nan 8.270 nan 0.000 0.590 614 R N 1.557 122.148 120.500 0.152 0.000 2.468 614 R HA 0.021 4.368 4.340 0.012 0.000 0.280 614 R C 0.521 176.964 176.300 0.238 0.000 0.963 614 R CA -0.109 56.123 56.100 0.220 0.000 1.083 614 R CB 0.377 30.812 30.300 0.225 0.000 1.200 614 R HN 0.540 nan 8.270 nan 0.000 0.541 615 E N 0.438 120.737 120.200 0.165 0.000 2.149 615 E HA -0.265 4.092 4.350 0.012 0.000 0.215 615 E C 1.807 178.484 176.600 0.128 0.000 1.055 615 E CA 1.882 58.357 56.400 0.125 0.000 0.870 615 E CB -0.372 29.384 29.700 0.093 0.000 0.764 615 E HN 0.165 nan 8.360 nan 0.000 0.463 616 V N 1.064 121.072 119.914 0.157 0.000 2.332 616 V HA -0.228 3.899 4.120 0.012 0.000 0.248 616 V C 2.140 178.317 176.094 0.138 0.000 1.055 616 V CA 1.988 64.367 62.300 0.133 0.000 1.038 616 V CB -0.722 31.197 31.823 0.160 0.000 0.651 616 V HN 0.440 nan 8.190 nan 0.000 0.450 617 W N 1.422 122.745 121.300 0.039 0.000 2.379 617 W HA -0.154 4.513 4.660 0.011 0.000 0.307 617 W C 2.065 178.560 176.519 -0.040 0.000 1.200 617 W CA 1.793 59.111 57.345 -0.046 0.000 1.297 617 W CB -0.288 29.212 29.460 0.066 0.000 1.140 617 W HN 0.350 nan 8.180 nan 0.000 0.507 618 D N 0.349 120.812 120.400 0.106 0.000 2.182 618 D HA -0.217 4.430 4.640 0.012 0.000 0.201 618 D C 1.856 178.080 176.300 -0.126 0.000 0.986 618 D CA 1.594 55.581 54.000 -0.021 0.000 0.847 618 D CB -0.571 40.287 40.800 0.096 0.000 0.942 618 D HN 0.463 nan 8.370 nan 0.000 0.467 619 Q N 0.330 120.074 119.800 -0.094 0.000 2.360 619 Q HA 0.087 4.434 4.340 0.012 0.000 0.202 619 Q C 0.392 176.294 176.000 -0.163 0.000 0.915 619 Q CA -0.162 55.580 55.803 -0.101 0.000 0.943 619 Q CB 0.441 29.151 28.738 -0.047 0.000 1.064 619 Q HN 0.136 nan 8.270 nan 0.000 0.511 620 S N 0.294 115.830 115.700 -0.273 0.000 2.585 620 S HA 0.504 4.981 4.470 0.012 0.000 0.273 620 S C 0.285 174.702 174.600 -0.304 0.000 1.339 620 S CA -0.746 57.267 58.200 -0.311 0.000 1.028 620 S CB 1.285 64.203 63.200 -0.469 0.000 0.906 620 S HN 0.244 nan 8.310 nan 0.000 0.528 621 A N 2.341 125.023 122.820 -0.230 0.000 2.488 621 A HA 0.410 4.737 4.320 0.012 0.000 0.249 621 A C 0.194 177.635 177.584 -0.238 0.000 1.083 621 A CA -0.619 51.306 52.037 -0.188 0.000 0.768 621 A CB -0.294 18.626 19.000 -0.134 0.000 1.017 621 A HN 1.032 nan 8.150 nan 0.000 0.496 622 L N 2.364 123.460 121.223 -0.212 0.000 2.601 622 L HA 0.087 4.434 4.340 0.012 0.000 0.277 622 L C -0.104 176.658 176.870 -0.180 0.000 1.219 622 L CA 0.885 55.593 54.840 -0.220 0.000 0.915 622 L CB 0.072 42.041 42.059 -0.149 0.000 1.160 622 L HN 0.669 nan 8.230 nan 0.000 0.494 623 D N 4.248 124.525 120.400 -0.205 0.000 2.408 623 D HA 0.122 4.769 4.640 0.012 0.000 0.261 623 D C 0.931 177.152 176.300 -0.133 0.000 1.190 623 D CA -0.351 53.565 54.000 -0.141 0.000 0.910 623 D CB 1.238 41.959 40.800 -0.131 0.000 1.097 623 D HN 0.399 nan 8.370 nan 0.000 0.522 624 V N 3.481 123.298 119.914 -0.162 0.000 2.324 624 V HA -0.199 3.928 4.120 0.012 0.000 0.250 624 V C 2.534 178.521 176.094 -0.180 0.000 1.060 624 V CA 2.428 64.572 62.300 -0.259 0.000 1.042 624 V CB -0.534 30.978 31.823 -0.520 0.000 0.650 624 V HN 0.664 nan 8.190 nan 0.000 0.450 625 G N -0.876 107.869 108.800 -0.091 0.000 2.442 625 G HA2 -0.240 3.727 3.960 0.012 0.000 0.219 625 G HA3 -0.240 3.727 3.960 0.012 0.000 0.219 625 G C 1.643 176.541 174.900 -0.004 0.000 1.141 625 G CA 0.991 46.076 45.100 -0.026 0.000 0.763 625 G HN 0.462 nan 8.290 nan 0.000 0.554 626 L N 0.316 121.539 121.223 -0.000 0.000 2.072 626 L HA -0.057 4.290 4.340 0.012 0.000 0.205 626 L C 3.156 180.071 176.870 0.075 0.000 1.079 626 L CA 1.636 56.507 54.840 0.052 0.000 0.752 626 L CB -0.381 41.719 42.059 0.069 0.000 0.906 626 L HN 0.220 nan 8.230 nan 0.000 0.436 627 T N -0.134 114.447 114.554 0.046 0.000 2.720 627 T HA -0.207 4.150 4.350 0.012 0.000 0.268 627 T C 1.896 176.594 174.700 -0.003 0.000 1.037 627 T CA 1.391 63.520 62.100 0.049 0.000 1.144 627 T CB -0.110 68.741 68.868 -0.029 0.000 0.864 627 T HN 0.224 nan 8.240 nan 0.000 0.444 628 M N 1.205 120.791 119.600 -0.022 0.000 2.229 628 M HA -0.043 4.444 4.480 0.012 0.000 0.264 628 M C 2.272 178.589 176.300 0.028 0.000 1.063 628 M CA 1.308 56.610 55.300 0.002 0.000 1.114 628 M CB -1.049 31.556 32.600 0.009 0.000 1.387 628 M HN 0.373 nan 8.290 nan 0.000 0.420 629 Q N 0.459 120.280 119.800 0.036 0.000 2.170 629 Q HA -0.065 4.282 4.340 0.012 0.000 0.203 629 Q C 1.980 178.019 176.000 0.064 0.000 0.976 629 Q CA 1.019 56.872 55.803 0.084 0.000 0.858 629 Q CB -0.180 28.621 28.738 0.105 0.000 0.907 629 Q HN 0.524 nan 8.270 nan 0.000 0.433 630 L N 0.052 121.192 121.223 -0.139 0.000 2.554 630 L HA -0.021 4.326 4.340 0.012 0.000 0.226 630 L C 1.438 178.244 176.870 -0.107 0.000 1.137 630 L CA 0.304 54.882 54.840 -0.437 0.000 0.863 630 L CB 0.097 41.906 42.059 -0.417 0.000 0.985 630 L HN 0.195 nan 8.230 nan 0.000 0.451 631 L N -0.508 120.720 121.223 0.008 0.000 2.728 631 L HA 0.117 4.464 4.340 0.012 0.000 0.238 631 L C 0.713 177.623 176.870 0.068 0.000 1.143 631 L CA -0.428 54.448 54.840 0.059 0.000 0.937 631 L CB -0.177 41.920 42.059 0.063 0.000 1.225 631 L HN 0.263 nan 8.230 nan 0.000 0.507 632 D N -0.605 119.779 120.400 -0.027 0.000 2.469 632 D HA -0.037 4.610 4.640 0.012 0.000 0.278 632 D C 1.451 177.310 176.300 -0.735 0.000 1.231 632 D CA -0.236 53.464 54.000 -0.500 0.000 1.075 632 D CB 0.475 41.047 40.800 -0.380 0.000 1.121 632 D HN 0.132 nan 8.370 nan 0.000 0.571 633 C N -1.464 117.094 119.300 -1.238 0.000 2.449 633 C HA 0.110 4.577 4.460 0.012 0.000 0.283 633 C C 1.679 176.398 174.990 -0.450 0.000 1.453 633 C CA 0.017 58.608 59.018 -0.713 0.000 1.779 633 C CB -1.960 25.463 27.740 -0.527 0.000 1.779 633 C HN 0.495 nan 8.230 nan 0.000 0.546 634 N N -0.307 118.088 118.700 -0.508 0.000 2.463 634 N HA 0.166 4.913 4.740 0.012 0.000 0.181 634 N C -0.529 174.364 175.510 -1.028 0.000 1.078 634 N CA 0.611 53.220 53.050 -0.736 0.000 0.902 634 N CB -0.013 37.946 38.487 -0.880 0.000 0.970 634 N HN 0.562 nan 8.380 nan 0.000 0.451 635 F N -0.787 119.010 119.950 -0.254 0.000 2.460 635 F HA 0.398 4.931 4.527 0.009 0.000 0.341 635 F C 0.751 176.306 175.800 -0.408 0.000 1.130 635 F CA -0.843 56.965 58.000 -0.319 0.000 0.962 635 F CB 1.923 40.795 39.000 -0.213 0.000 1.171 635 F HN -0.195 nan 8.300 nan 0.000 0.436 636 S N 0.157 115.527 115.700 -0.550 0.000 2.511 636 S HA -0.036 4.441 4.470 0.012 0.000 0.214 636 S C 0.081 174.406 174.600 -0.457 0.000 0.997 636 S CA -0.231 57.618 58.200 -0.585 0.000 0.908 636 S CB -0.239 62.361 63.200 -0.999 0.000 0.803 636 S HN 0.708 nan 8.310 nan 0.000 0.504 637 D N 2.012 122.113 120.400 -0.498 0.000 2.383 637 D HA 0.056 4.703 4.640 0.012 0.000 0.252 637 D C 1.202 177.412 176.300 -0.151 0.000 1.166 637 D CA 0.003 53.828 54.000 -0.291 0.000 0.879 637 D CB 0.680 41.197 40.800 -0.472 0.000 1.164 637 D HN 0.192 nan 8.370 nan 0.000 0.462 638 E N 3.369 123.534 120.200 -0.058 0.000 2.070 638 E HA -0.328 4.029 4.350 0.012 0.000 0.197 638 E C 0.907 177.449 176.600 -0.096 0.000 1.004 638 E CA 1.223 57.597 56.400 -0.043 0.000 0.805 638 E CB 0.089 29.783 29.700 -0.009 0.000 0.744 638 E HN 0.543 nan 8.360 nan 0.000 0.451 639 N N 0.279 118.888 118.700 -0.152 0.000 2.188 639 N HA -0.121 4.626 4.740 0.012 0.000 0.184 639 N C 2.043 177.409 175.510 -0.240 0.000 1.018 639 N CA 1.254 54.163 53.050 -0.236 0.000 0.858 639 N CB -0.132 38.070 38.487 -0.476 0.000 0.989 639 N HN 0.102 nan 8.380 nan 0.000 0.426 640 V N 1.921 121.670 119.914 -0.276 0.000 2.358 640 V HA -0.163 3.964 4.120 0.012 0.000 0.246 640 V C 2.267 178.168 176.094 -0.320 0.000 1.047 640 V CA 1.497 63.530 62.300 -0.445 0.000 1.035 640 V CB -0.367 31.120 31.823 -0.560 0.000 0.658 640 V HN 0.256 nan 8.190 nan 0.000 0.452 641 R N 0.165 120.542 120.500 -0.206 0.000 2.148 641 R HA 0.025 4.372 4.340 0.012 0.000 0.223 641 R C 2.368 178.610 176.300 -0.095 0.000 1.088 641 R CA 1.124 57.143 56.100 -0.135 0.000 0.985 641 R CB -0.491 29.767 30.300 -0.070 0.000 0.880 641 R HN 0.513 nan 8.270 nan 0.000 0.451 642 A N 2.147 124.911 122.820 -0.092 0.000 1.933 642 A HA -0.132 4.195 4.320 0.012 0.000 0.218 642 A C 2.187 179.756 177.584 -0.024 0.000 1.175 642 A CA 1.330 53.336 52.037 -0.051 0.000 0.628 642 A CB -0.619 18.352 19.000 -0.050 0.000 0.814 642 A HN 0.465 nan 8.150 nan 0.000 0.444 643 I N -3.361 117.180 120.570 -0.049 0.000 2.830 643 I HA 0.052 4.229 4.170 0.012 0.000 0.263 643 I C 2.211 178.458 176.117 0.218 0.000 1.230 643 I CA 1.075 62.419 61.300 0.075 0.000 1.480 643 I CB -0.492 37.433 38.000 -0.127 0.000 1.095 643 I HN 0.179 nan 8.210 nan 0.000 0.455 644 A N 2.008 124.866 122.820 0.064 0.000 1.841 644 A HA -0.059 4.268 4.320 0.012 0.000 0.214 644 A C 2.378 179.966 177.584 0.006 0.000 1.195 644 A CA 1.928 54.025 52.037 0.100 0.000 0.611 644 A CB -1.104 17.885 19.000 -0.019 0.000 0.835 644 A HN 0.294 nan 8.150 nan 0.000 0.443 645 V N 0.907 120.779 119.914 -0.069 0.000 2.469 645 V HA -0.335 3.792 4.120 0.012 0.000 0.251 645 V C 2.734 178.731 176.094 -0.163 0.000 1.064 645 V CA 2.295 64.479 62.300 -0.193 0.000 1.066 645 V CB -0.952 30.793 31.823 -0.130 0.000 0.667 645 V HN 0.801 nan 8.190 nan 0.000 0.461 646 Q N 0.133 119.925 119.800 -0.013 0.000 2.124 646 Q HA -0.292 4.055 4.340 0.012 0.000 0.202 646 Q C 2.176 178.175 176.000 -0.002 0.000 0.977 646 Q CA 1.838 57.661 55.803 0.033 0.000 0.850 646 Q CB -0.008 28.804 28.738 0.124 0.000 0.901 646 Q HN 0.467 nan 8.270 nan 0.000 0.429 647 K N 0.279 120.678 120.400 -0.003 0.000 2.228 647 K HA 0.059 4.386 4.320 0.012 0.000 0.202 647 K C 1.937 178.458 176.600 -0.132 0.000 1.051 647 K CA 0.564 56.795 56.287 -0.094 0.000 0.960 647 K CB -0.013 32.413 32.500 -0.123 0.000 0.743 647 K HN 0.234 nan 8.250 nan 0.000 0.458 648 L N 0.720 121.809 121.223 -0.223 0.000 2.141 648 L HA -0.143 4.204 4.340 0.012 0.000 0.209 648 L C 1.868 178.670 176.870 -0.113 0.000 1.094 648 L CA 0.894 55.548 54.840 -0.309 0.000 0.763 648 L CB -0.392 41.161 42.059 -0.844 0.000 0.908 648 L HN 0.184 nan 8.230 nan 0.000 0.437 649 E N 0.315 120.472 120.200 -0.072 0.000 2.187 649 E HA -0.244 4.113 4.350 0.012 0.000 0.199 649 E C 2.183 178.880 176.600 0.161 0.000 1.004 649 E CA 1.806 58.319 56.400 0.189 0.000 0.813 649 E CB -0.264 29.509 29.700 0.122 0.000 0.736 649 E HN 0.553 nan 8.360 nan 0.000 0.468 650 S N -0.105 115.636 115.700 0.068 0.000 2.650 650 S HA 0.072 4.549 4.470 0.012 0.000 0.219 650 S C 0.936 175.578 174.600 0.071 0.000 0.960 650 S CA -0.238 57.993 58.200 0.052 0.000 0.925 650 S CB -0.291 62.907 63.200 -0.004 0.000 0.775 650 S HN 0.028 nan 8.310 nan 0.000 0.525 651 L N 2.639 123.933 121.223 0.120 0.000 2.417 651 L HA 0.332 4.679 4.340 0.012 0.000 0.268 651 L C 0.774 177.734 176.870 0.150 0.000 1.158 651 L CA -0.599 54.323 54.840 0.136 0.000 0.819 651 L CB 0.690 42.863 42.059 0.191 0.000 1.112 651 L HN 0.470 nan 8.230 nan 0.000 0.458 652 E N 1.184 121.465 120.200 0.134 0.000 2.349 652 E HA 0.060 4.417 4.350 0.012 0.000 0.262 652 E C -0.350 176.344 176.600 0.157 0.000 1.088 652 E CA -0.816 55.661 56.400 0.128 0.000 0.899 652 E CB 0.965 30.731 29.700 0.109 0.000 1.044 652 E HN 0.477 nan 8.360 nan 0.000 0.420 653 D N 1.354 121.838 120.400 0.140 0.000 2.149 653 D HA -0.223 4.424 4.640 0.012 0.000 0.194 653 D C 1.310 177.709 176.300 0.165 0.000 1.001 653 D CA 1.853 55.932 54.000 0.132 0.000 0.849 653 D CB -0.330 40.539 40.800 0.115 0.000 0.939 653 D HN 0.672 nan 8.370 nan 0.000 0.449 654 D N 0.046 120.582 120.400 0.225 0.000 2.182 654 D HA -0.135 4.512 4.640 0.012 0.000 0.201 654 D C 1.376 177.865 176.300 0.316 0.000 0.986 654 D CA 0.989 55.177 54.000 0.314 0.000 0.847 654 D CB 0.151 41.164 40.800 0.354 0.000 0.942 654 D HN 0.036 nan 8.370 nan 0.000 0.467 655 D N -0.877 119.694 120.400 0.286 0.000 2.183 655 D HA -0.050 4.597 4.640 0.012 0.000 0.205 655 D C 2.226 178.751 176.300 0.375 0.000 0.962 655 D CA 0.270 54.480 54.000 0.349 0.000 0.849 655 D CB -0.007 40.965 40.800 0.287 0.000 0.978 655 D HN 0.119 nan 8.370 nan 0.000 0.488 656 V N 1.399 121.487 119.914 0.290 0.000 2.392 656 V HA -0.222 3.905 4.120 0.012 0.000 0.249 656 V C 2.623 178.840 176.094 0.205 0.000 1.059 656 V CA 1.137 63.606 62.300 0.282 0.000 1.051 656 V CB -0.380 31.557 31.823 0.190 0.000 0.658 656 V HN 0.210 nan 8.190 nan 0.000 0.455 657 L N -1.096 120.188 121.223 0.103 0.000 2.131 657 L HA -0.212 4.135 4.340 0.012 0.000 0.210 657 L C 2.427 179.227 176.870 -0.117 0.000 1.092 657 L CA 1.651 56.466 54.840 -0.043 0.000 0.759 657 L CB -0.616 41.353 42.059 -0.151 0.000 0.903 657 L HN 0.413 nan 8.230 nan 0.000 0.435 658 H N -2.125 116.887 119.070 -0.097 0.000 2.423 658 H HA -0.127 4.436 4.556 0.012 0.000 0.297 658 H C 1.008 176.005 175.328 -0.552 0.000 1.075 658 H CA 1.628 57.469 56.048 -0.346 0.000 1.342 658 H CB 0.214 29.674 29.762 -0.503 0.000 1.395 658 H HN 0.301 nan 8.280 nan 0.000 0.530 659 Y N -1.562 118.828 120.300 0.150 0.000 2.481 659 Y HA 0.069 4.626 4.550 0.012 0.000 0.247 659 Y C 1.571 177.526 175.900 0.091 0.000 1.151 659 Y CA -0.360 57.800 58.100 0.099 0.000 1.238 659 Y CB 0.410 38.934 38.460 0.107 0.000 1.179 659 Y HN 0.091 nan 8.280 nan 0.000 0.524 660 L N 0.434 121.773 121.223 0.195 0.000 1.990 660 L HA -0.251 4.096 4.340 0.012 0.000 0.213 660 L C 2.223 179.195 176.870 0.170 0.000 1.072 660 L CA 1.767 56.745 54.840 0.230 0.000 0.755 660 L CB -0.832 41.383 42.059 0.261 0.000 0.889 660 L HN 0.340 nan 8.230 nan 0.000 0.432 661 L N -0.691 120.523 121.223 -0.015 0.000 2.042 661 L HA -0.266 4.081 4.340 0.012 0.000 0.210 661 L C 2.446 179.204 176.870 -0.187 0.000 1.076 661 L CA 1.893 56.479 54.840 -0.424 0.000 0.749 661 L CB -0.725 40.880 42.059 -0.758 0.000 0.893 661 L HN 0.411 nan 8.230 nan 0.000 0.432 662 Q N -0.665 119.104 119.800 -0.051 0.000 2.079 662 Q HA -0.117 4.230 4.340 0.012 0.000 0.200 662 Q C 2.216 178.262 176.000 0.076 0.000 0.974 662 Q CA 1.906 57.723 55.803 0.024 0.000 0.840 662 Q CB -0.368 28.434 28.738 0.107 0.000 0.898 662 Q HN 0.528 nan 8.270 nan 0.000 0.430 663 L N -0.486 120.817 121.223 0.134 0.000 2.083 663 L HA -0.162 4.185 4.340 0.012 0.000 0.209 663 L C 2.124 179.077 176.870 0.139 0.000 1.083 663 L CA 0.737 55.674 54.840 0.162 0.000 0.752 663 L CB -0.546 41.660 42.059 0.245 0.000 0.899 663 L HN 0.128 nan 8.230 nan 0.000 0.433 664 V N -0.859 119.119 119.914 0.106 0.000 2.358 664 V HA -0.233 3.894 4.120 0.012 0.000 0.246 664 V C 2.537 178.667 176.094 0.061 0.000 1.047 664 V CA 1.376 63.735 62.300 0.098 0.000 1.035 664 V CB -0.553 31.283 31.823 0.022 0.000 0.658 664 V HN 0.450 nan 8.190 nan 0.000 0.452 665 Q N 0.173 119.941 119.800 -0.053 0.000 2.170 665 Q HA -0.098 4.249 4.340 0.012 0.000 0.203 665 Q C 2.338 178.240 176.000 -0.164 0.000 0.976 665 Q CA 1.747 57.478 55.803 -0.120 0.000 0.858 665 Q CB -0.626 28.016 28.738 -0.160 0.000 0.907 665 Q HN 0.664 nan 8.270 nan 0.000 0.433 666 A N 0.238 123.043 122.820 -0.025 0.000 2.168 666 A HA -0.028 4.299 4.320 0.012 0.000 0.215 666 A C 2.240 179.810 177.584 -0.023 0.000 1.152 666 A CA 0.544 52.612 52.037 0.052 0.000 0.716 666 A CB -0.276 18.852 19.000 0.213 0.000 0.794 666 A HN 0.181 nan 8.150 nan 0.000 0.465 667 V N 0.191 120.092 119.914 -0.021 0.000 2.720 667 V HA -0.244 3.883 4.120 0.012 0.000 0.256 667 V C 2.211 178.123 176.094 -0.303 0.000 1.082 667 V CA 2.097 64.356 62.300 -0.069 0.000 1.101 667 V CB -0.617 31.223 31.823 0.028 0.000 0.693 667 V HN 0.582 nan 8.190 nan 0.000 0.479 668 K N -0.493 119.586 120.400 -0.534 0.000 2.283 668 K HA -0.041 4.286 4.320 0.012 0.000 0.202 668 K C 1.679 177.940 176.600 -0.565 0.000 1.048 668 K CA 1.254 56.959 56.287 -0.968 0.000 0.948 668 K CB -0.178 31.511 32.500 -1.351 0.000 0.742 668 K HN 0.487 nan 8.250 nan 0.000 0.458 669 F N 1.499 121.347 119.950 -0.170 0.000 2.797 669 F HA 0.057 4.592 4.527 0.014 0.000 0.302 669 F C 0.693 176.434 175.800 -0.099 0.000 1.130 669 F CA -0.318 57.617 58.000 -0.108 0.000 1.387 669 F CB 0.294 39.246 39.000 -0.081 0.000 1.107 669 F HN -0.174 nan 8.300 nan 0.000 0.577 670 E N 2.486 122.704 120.200 0.031 0.000 2.344 670 E HA 0.031 4.388 4.350 0.012 0.000 0.270 670 E C -1.461 175.097 176.600 -0.071 0.000 1.021 670 E CA -1.532 54.869 56.400 0.002 0.000 0.887 670 E CB 0.653 30.360 29.700 0.010 0.000 0.997 670 E HN 0.066 nan 8.360 nan 0.000 0.429 671 P HA -0.084 nan 4.420 nan 0.000 0.222 671 P C -0.179 176.718 177.300 -0.672 0.000 1.153 671 P CA 1.091 63.960 63.100 -0.385 0.000 0.798 671 P CB 0.266 31.699 31.700 -0.445 0.000 0.796 672 Y N -1.513 118.722 120.300 -0.109 0.000 2.487 672 Y HA 0.274 4.831 4.550 0.011 0.000 0.337 672 Y C 2.281 178.129 175.900 -0.087 0.000 1.076 672 Y CA -0.737 57.272 58.100 -0.152 0.000 1.115 672 Y CB 0.635 39.054 38.460 -0.069 0.000 1.235 672 Y HN -0.144 nan 8.280 nan 0.000 0.468 673 H N -0.525 118.628 119.070 0.138 0.000 2.353 673 H HA -0.115 4.449 4.556 0.012 0.000 0.300 673 H C 0.098 175.478 175.328 0.086 0.000 1.090 673 H CA 1.345 57.427 56.048 0.058 0.000 1.327 673 H CB 0.017 29.802 29.762 0.038 0.000 1.383 673 H HN 0.535 nan 8.280 nan 0.000 0.508 674 D N 1.255 121.821 120.400 0.277 0.000 2.280 674 D HA 0.204 4.851 4.640 0.012 0.000 0.243 674 D C -0.295 176.111 176.300 0.178 0.000 1.129 674 D CA -0.168 53.952 54.000 0.200 0.000 0.848 674 D CB 0.791 41.715 40.800 0.207 0.000 1.107 674 D HN 0.292 nan 8.370 nan 0.000 0.471 675 S N 1.686 117.470 115.700 0.140 0.000 2.607 675 S HA 0.655 5.132 4.470 0.012 0.000 0.273 675 S C 0.812 175.480 174.600 0.113 0.000 1.148 675 S CA -0.320 57.954 58.200 0.123 0.000 0.833 675 S CB 1.244 64.512 63.200 0.113 0.000 1.130 675 S HN 0.301 nan 8.310 nan 0.000 0.470 676 A N 0.513 123.392 122.820 0.097 0.000 1.933 676 A HA 0.030 4.357 4.320 0.012 0.000 0.218 676 A C 1.995 179.663 177.584 0.140 0.000 1.175 676 A CA 1.709 53.807 52.037 0.102 0.000 0.628 676 A CB -1.009 18.028 19.000 0.062 0.000 0.814 676 A HN 1.042 nan 8.150 nan 0.000 0.444 677 L N -0.136 121.159 121.223 0.120 0.000 2.046 677 L HA -0.062 4.285 4.340 0.012 0.000 0.208 677 L C 2.611 179.616 176.870 0.226 0.000 1.077 677 L CA 2.291 57.227 54.840 0.161 0.000 0.747 677 L CB -0.867 41.261 42.059 0.114 0.000 0.896 677 L HN 0.325 nan 8.230 nan 0.000 0.432 678 A N -0.554 122.366 122.820 0.165 0.000 1.972 678 A HA -0.177 4.150 4.320 0.012 0.000 0.219 678 A C 2.403 180.083 177.584 0.160 0.000 1.169 678 A CA 1.565 53.695 52.037 0.154 0.000 0.635 678 A CB -0.501 18.569 19.000 0.117 0.000 0.810 678 A HN 0.523 nan 8.150 nan 0.000 0.446 679 R N -2.063 118.537 120.500 0.166 0.000 2.090 679 R HA -0.043 4.304 4.340 0.012 0.000 0.228 679 R C 1.976 178.392 176.300 0.193 0.000 1.110 679 R CA 1.364 57.556 56.100 0.153 0.000 0.973 679 R CB -0.452 29.928 30.300 0.134 0.000 0.869 679 R HN 0.605 nan 8.270 nan 0.000 0.440 680 F N 1.761 121.754 119.950 0.073 0.000 2.171 680 F HA -0.125 4.410 4.527 0.013 0.000 0.300 680 F C 1.803 177.653 175.800 0.084 0.000 1.090 680 F CA 1.311 59.356 58.000 0.075 0.000 1.293 680 F CB -0.130 38.914 39.000 0.072 0.000 1.013 680 F HN -0.126 nan 8.300 nan 0.000 0.486 681 L N -0.403 120.875 121.223 0.091 0.000 2.027 681 L HA -0.217 4.130 4.340 0.012 0.000 0.206 681 L C 2.615 179.457 176.870 -0.047 0.000 1.074 681 L CA 1.028 55.849 54.840 -0.032 0.000 0.745 681 L CB -0.988 41.136 42.059 0.109 0.000 0.898 681 L HN 0.224 nan 8.230 nan 0.000 0.433 682 L N 0.214 121.463 121.223 0.043 0.000 1.978 682 L HA -0.328 4.019 4.340 0.012 0.000 0.218 682 L C 2.788 179.699 176.870 0.068 0.000 1.075 682 L CA 1.931 56.827 54.840 0.094 0.000 0.767 682 L CB -0.269 41.852 42.059 0.105 0.000 0.890 682 L HN 0.311 nan 8.230 nan 0.000 0.434 683 K N -0.994 119.406 120.400 0.000 0.000 2.026 683 K HA -0.174 4.153 4.320 0.012 0.000 0.208 683 K C 2.068 178.622 176.600 -0.076 0.000 1.048 683 K CA 1.180 57.451 56.287 -0.027 0.000 0.929 683 K CB -0.078 32.407 32.500 -0.025 0.000 0.713 683 K HN 0.252 nan 8.250 nan 0.000 0.439 684 R N -0.066 120.298 120.500 -0.227 0.000 2.115 684 R HA -0.025 4.322 4.340 0.012 0.000 0.226 684 R C 2.326 178.602 176.300 -0.040 0.000 1.100 684 R CA 1.194 57.175 56.100 -0.198 0.000 0.980 684 R CB -0.970 29.083 30.300 -0.412 0.000 0.875 684 R HN 0.356 nan 8.270 nan 0.000 0.445 685 G N 1.056 109.847 108.800 -0.016 0.000 2.418 685 G HA2 -0.184 3.783 3.960 0.012 0.000 0.217 685 G HA3 -0.184 3.783 3.960 0.012 0.000 0.217 685 G C 1.512 176.613 174.900 0.336 0.000 1.158 685 G CA 0.211 45.352 45.100 0.068 0.000 0.771 685 G HN 0.213 nan 8.290 nan 0.000 0.545 686 L N -0.306 121.093 121.223 0.293 0.000 2.376 686 L HA 0.135 4.482 4.340 0.012 0.000 0.219 686 L C 2.766 179.690 176.870 0.090 0.000 1.133 686 L CA 0.489 55.458 54.840 0.216 0.000 0.816 686 L CB -0.128 41.978 42.059 0.079 0.000 0.933 686 L HN 0.194 nan 8.230 nan 0.000 0.449 687 R N 0.029 120.592 120.500 0.105 0.000 2.173 687 R HA 0.011 4.358 4.340 0.012 0.000 0.208 687 R C 0.654 177.098 176.300 0.239 0.000 1.035 687 R CA 0.410 56.562 56.100 0.086 0.000 1.004 687 R CB 0.386 30.713 30.300 0.045 0.000 0.917 687 R HN 0.216 nan 8.270 nan 0.000 0.462 688 N N 0.158 119.024 118.700 0.276 0.000 2.310 688 N HA 0.077 4.824 4.740 0.012 0.000 0.292 688 N C -0.489 175.156 175.510 0.226 0.000 1.049 688 N CA -0.297 52.907 53.050 0.257 0.000 0.849 688 N CB 1.910 40.479 38.487 0.137 0.000 1.532 688 N HN -0.073 nan 8.380 nan 0.000 0.479 689 K N 1.641 122.093 120.400 0.087 0.000 2.097 689 K HA -0.096 4.231 4.320 0.012 0.000 0.206 689 K C 1.751 178.299 176.600 -0.087 0.000 1.049 689 K CA 1.083 57.315 56.287 -0.092 0.000 0.933 689 K CB 0.201 32.460 32.500 -0.402 0.000 0.717 689 K HN 0.492 nan 8.250 nan 0.000 0.442 690 R N 0.903 121.342 120.500 -0.102 0.000 2.090 690 R HA -0.017 4.330 4.340 0.012 0.000 0.228 690 R C 2.100 178.445 176.300 0.075 0.000 1.110 690 R CA 0.862 56.903 56.100 -0.098 0.000 0.973 690 R CB -0.029 30.146 30.300 -0.207 0.000 0.869 690 R HN 0.116 nan 8.270 nan 0.000 0.440 691 I N -0.078 120.524 120.570 0.052 0.000 2.353 691 I HA -0.109 4.068 4.170 0.012 0.000 0.248 691 I C 2.376 178.513 176.117 0.034 0.000 1.119 691 I CA 1.284 62.621 61.300 0.061 0.000 1.417 691 I CB -0.374 37.642 38.000 0.027 0.000 1.078 691 I HN 0.346 nan 8.210 nan 0.000 0.421 692 G N -0.298 108.542 108.800 0.067 0.000 2.422 692 G HA2 -0.330 3.637 3.960 0.012 0.000 0.218 692 G HA3 -0.330 3.637 3.960 0.012 0.000 0.218 692 G C 1.475 176.365 174.900 -0.017 0.000 1.146 692 G CA 1.173 46.244 45.100 -0.049 0.000 0.769 692 G HN 0.434 nan 8.290 nan 0.000 0.547 693 H N -0.234 118.878 119.070 0.069 0.000 2.293 693 H HA 0.001 4.564 4.556 0.012 0.000 0.300 693 H C 2.171 177.467 175.328 -0.054 0.000 1.082 693 H CA 1.721 57.822 56.048 0.088 0.000 1.308 693 H CB -0.351 29.294 29.762 -0.196 0.000 1.375 693 H HN 0.340 nan 8.280 nan 0.000 0.495 694 F N -0.528 119.335 119.950 -0.145 0.000 2.186 694 F HA -0.108 4.426 4.527 0.012 0.000 0.299 694 F C 2.373 177.742 175.800 -0.718 0.000 1.090 694 F CA 0.698 58.376 58.000 -0.538 0.000 1.307 694 F CB -0.285 38.357 39.000 -0.597 0.000 1.019 694 F HN 0.243 nan 8.300 nan 0.000 0.489 695 L N -0.200 120.866 121.223 -0.262 0.000 2.042 695 L HA -0.240 4.107 4.340 0.012 0.000 0.210 695 L C 2.159 178.829 176.870 -0.333 0.000 1.076 695 L CA 1.635 56.325 54.840 -0.251 0.000 0.749 695 L CB -1.185 40.672 42.059 -0.336 0.000 0.893 695 L HN 0.189 nan 8.230 nan 0.000 0.432 696 F N -0.748 118.834 119.950 -0.614 0.000 2.043 696 F HA -0.299 4.235 4.527 0.012 0.000 0.297 696 F C 1.954 177.345 175.800 -0.682 0.000 1.121 696 F CA 2.252 59.793 58.000 -0.765 0.000 1.199 696 F CB -0.708 37.595 39.000 -1.163 0.000 0.968 696 F HN 0.132 nan 8.300 nan 0.000 0.478 697 W N -0.298 120.874 121.300 -0.214 0.000 2.363 697 W HA -0.144 4.522 4.660 0.011 0.000 0.296 697 W C 2.454 178.935 176.519 -0.064 0.000 1.212 697 W CA 1.301 58.544 57.345 -0.169 0.000 1.260 697 W CB -0.825 28.557 29.460 -0.131 0.000 1.131 697 W HN 0.040 nan 8.180 nan 0.000 0.530 698 F N -0.625 119.331 119.950 0.011 0.000 2.259 698 F HA -0.151 4.383 4.527 0.012 0.000 0.298 698 F C 2.068 177.689 175.800 -0.299 0.000 1.088 698 F CA 0.428 58.370 58.000 -0.096 0.000 1.358 698 F CB -0.544 38.410 39.000 -0.078 0.000 1.040 698 F HN -0.170 nan 8.300 nan 0.000 0.505 699 L N -0.300 120.807 121.223 -0.193 0.000 2.068 699 L HA -0.106 4.241 4.340 0.012 0.000 0.204 699 L C 2.557 179.202 176.870 -0.376 0.000 1.076 699 L CA 0.890 55.502 54.840 -0.380 0.000 0.753 699 L CB -0.524 41.357 42.059 -0.297 0.000 0.910 699 L HN -0.009 nan 8.230 nan 0.000 0.439 700 R N -0.367 119.859 120.500 -0.457 0.000 2.105 700 R HA -0.206 4.141 4.340 0.012 0.000 0.239 700 R C 2.582 178.778 176.300 -0.174 0.000 1.135 700 R CA 1.657 57.500 56.100 -0.429 0.000 0.967 700 R CB -0.195 29.660 30.300 -0.742 0.000 0.861 700 R HN 0.234 nan 8.270 nan 0.000 0.442 701 S N 0.183 115.832 115.700 -0.085 0.000 2.359 701 S HA -0.150 4.327 4.470 0.012 0.000 0.224 701 S C 1.636 176.195 174.600 -0.069 0.000 1.035 701 S CA 1.335 59.533 58.200 -0.003 0.000 1.018 701 S CB -0.070 63.159 63.200 0.048 0.000 0.876 701 S HN 0.341 nan 8.310 nan 0.000 0.448 702 E N 0.893 120.984 120.200 -0.183 0.000 2.076 702 E HA 0.035 4.392 4.350 0.012 0.000 0.190 702 E C 2.141 178.710 176.600 -0.051 0.000 0.979 702 E CA 0.833 57.135 56.400 -0.163 0.000 0.807 702 E CB -0.479 28.963 29.700 -0.431 0.000 0.761 702 E HN 0.615 nan 8.360 nan 0.000 0.454 703 I N 1.316 121.835 120.570 -0.085 0.000 2.264 703 I HA -0.258 3.919 4.170 0.012 0.000 0.248 703 I C 2.381 178.487 176.117 -0.017 0.000 1.111 703 I CA 1.144 62.410 61.300 -0.056 0.000 1.382 703 I CB -0.314 37.631 38.000 -0.091 0.000 1.060 703 I HN -0.014 nan 8.210 nan 0.000 0.418 704 A N 0.483 123.301 122.820 -0.005 0.000 2.014 704 A HA -0.183 4.144 4.320 0.012 0.000 0.218 704 A C 2.113 179.733 177.584 0.061 0.000 1.163 704 A CA 1.639 53.701 52.037 0.041 0.000 0.652 704 A CB -0.292 18.738 19.000 0.051 0.000 0.808 704 A HN 0.688 nan 8.150 nan 0.000 0.449 705 Q N -2.245 117.585 119.800 0.051 0.000 2.126 705 Q HA 0.269 4.616 4.340 0.012 0.000 0.233 705 Q C 0.289 176.336 176.000 0.078 0.000 0.788 705 Q CA 0.407 56.250 55.803 0.068 0.000 0.968 705 Q CB 0.051 28.827 28.738 0.064 0.000 1.163 705 Q HN 0.294 nan 8.270 nan 0.000 0.471 706 S N 0.934 116.680 115.700 0.077 0.000 2.410 706 S HA 0.312 4.789 4.470 0.012 0.000 0.304 706 S C 0.740 175.384 174.600 0.072 0.000 1.095 706 S CA -0.647 57.624 58.200 0.117 0.000 1.089 706 S CB 0.777 64.086 63.200 0.182 0.000 0.968 706 S HN 0.259 nan 8.310 nan 0.000 0.480 707 R N 3.076 123.604 120.500 0.046 0.000 2.115 707 R HA -0.047 4.300 4.340 0.012 0.000 0.226 707 R C 1.145 177.357 176.300 -0.147 0.000 1.100 707 R CA 1.365 57.466 56.100 0.001 0.000 0.980 707 R CB -0.615 29.751 30.300 0.110 0.000 0.875 707 R HN 0.776 nan 8.270 nan 0.000 0.445 708 H N -1.291 117.570 119.070 -0.349 0.000 2.423 708 H HA -0.082 4.481 4.556 0.012 0.000 0.297 708 H C 0.639 175.516 175.328 -0.751 0.000 1.075 708 H CA 1.396 57.031 56.048 -0.690 0.000 1.342 708 H CB -0.004 29.239 29.762 -0.865 0.000 1.395 708 H HN 0.262 nan 8.280 nan 0.000 0.530 709 Y N -0.148 120.158 120.300 0.011 0.000 2.610 709 Y HA 0.042 4.598 4.550 0.011 0.000 0.254 709 Y C 1.937 177.821 175.900 -0.026 0.000 1.110 709 Y CA -0.355 57.723 58.100 -0.037 0.000 1.238 709 Y CB 0.444 38.913 38.460 0.015 0.000 1.322 709 Y HN 0.191 nan 8.280 nan 0.000 0.547 710 Q N 0.621 120.433 119.800 0.020 0.000 2.181 710 Q HA -0.252 4.095 4.340 0.012 0.000 0.205 710 Q C 1.181 176.959 176.000 -0.369 0.000 0.980 710 Q CA 1.910 57.626 55.803 -0.145 0.000 0.862 710 Q CB -0.286 28.270 28.738 -0.303 0.000 0.905 710 Q HN 0.567 nan 8.270 nan 0.000 0.429 711 Q N 0.699 120.254 119.800 -0.409 0.000 2.020 711 Q HA -0.158 4.189 4.340 0.012 0.000 0.202 711 Q C 2.313 178.124 176.000 -0.314 0.000 0.982 711 Q CA 1.735 57.295 55.803 -0.405 0.000 0.838 711 Q CB -0.172 28.404 28.738 -0.270 0.000 0.899 711 Q HN 0.433 nan 8.270 nan 0.000 0.423 712 R N 0.223 120.522 120.500 -0.334 0.000 2.073 712 R HA -0.132 4.215 4.340 0.012 0.000 0.234 712 R C 1.991 178.157 176.300 -0.224 0.000 1.134 712 R CA 1.415 57.288 56.100 -0.378 0.000 0.952 712 R CB -0.287 29.846 30.300 -0.279 0.000 0.850 712 R HN 0.198 nan 8.270 nan 0.000 0.433 713 F N 0.631 120.526 119.950 -0.091 0.000 2.293 713 F HA -0.066 4.467 4.527 0.011 0.000 0.300 713 F C 2.551 178.278 175.800 -0.122 0.000 1.086 713 F CA 0.614 58.558 58.000 -0.093 0.000 1.375 713 F CB -0.111 38.834 39.000 -0.092 0.000 1.045 713 F HN 0.244 nan 8.300 nan 0.000 0.516 714 A N -0.231 122.591 122.820 0.003 0.000 1.930 714 A HA -0.114 4.213 4.320 0.012 0.000 0.217 714 A C 2.274 179.863 177.584 0.008 0.000 1.175 714 A CA 1.596 53.627 52.037 -0.010 0.000 0.627 714 A CB -1.066 17.942 19.000 0.012 0.000 0.815 714 A HN 0.165 nan 8.150 nan 0.000 0.443 715 V N 0.188 120.092 119.914 -0.016 0.000 2.358 715 V HA -0.245 3.882 4.120 0.012 0.000 0.246 715 V C 2.390 178.498 176.094 0.024 0.000 1.047 715 V CA 1.998 64.295 62.300 -0.005 0.000 1.035 715 V CB -0.622 31.172 31.823 -0.048 0.000 0.658 715 V HN 0.577 nan 8.190 nan 0.000 0.452 716 I N -0.743 119.850 120.570 0.038 0.000 2.315 716 I HA -0.229 3.948 4.170 0.012 0.000 0.248 716 I C 2.355 178.522 176.117 0.084 0.000 1.117 716 I CA 1.321 62.666 61.300 0.075 0.000 1.404 716 I CB -0.269 37.797 38.000 0.111 0.000 1.071 716 I HN 0.265 nan 8.210 nan 0.000 0.419 717 L N 0.842 122.093 121.223 0.046 0.000 2.056 717 L HA -0.228 4.119 4.340 0.012 0.000 0.207 717 L C 2.641 179.546 176.870 0.057 0.000 1.078 717 L CA 1.807 56.655 54.840 0.013 0.000 0.749 717 L CB -0.401 41.577 42.059 -0.135 0.000 0.901 717 L HN 0.380 nan 8.230 nan 0.000 0.433 718 E N 0.108 120.324 120.200 0.026 0.000 2.058 718 E HA -0.273 4.084 4.350 0.012 0.000 0.194 718 E C 2.027 178.659 176.600 0.054 0.000 0.997 718 E CA 1.393 57.808 56.400 0.024 0.000 0.801 718 E CB -0.060 29.650 29.700 0.017 0.000 0.746 718 E HN 0.535 nan 8.360 nan 0.000 0.450 719 A N 0.415 123.277 122.820 0.069 0.000 1.948 719 A HA -0.230 4.097 4.320 0.012 0.000 0.220 719 A C 2.082 179.720 177.584 0.090 0.000 1.177 719 A CA 1.705 53.787 52.037 0.075 0.000 0.636 719 A CB -0.981 18.065 19.000 0.076 0.000 0.815 719 A HN 0.657 nan 8.150 nan 0.000 0.449 720 Y N 0.127 120.446 120.300 0.032 0.000 2.263 720 Y HA -0.006 4.551 4.550 0.012 0.000 0.292 720 Y C 1.865 177.814 175.900 0.082 0.000 1.130 720 Y CA 1.414 59.543 58.100 0.049 0.000 1.179 720 Y CB -0.257 38.223 38.460 0.033 0.000 0.998 720 Y HN 0.187 nan 8.280 nan 0.000 0.532 721 L N 0.083 121.260 121.223 -0.077 0.000 2.083 721 L HA -0.195 4.152 4.340 0.012 0.000 0.209 721 L C 2.268 179.110 176.870 -0.046 0.000 1.083 721 L CA 1.362 56.148 54.840 -0.090 0.000 0.752 721 L CB -0.431 41.640 42.059 0.020 0.000 0.899 721 L HN 0.124 nan 8.230 nan 0.000 0.433 722 R N -0.386 120.123 120.500 0.015 0.000 2.339 722 R HA -0.028 4.319 4.340 0.012 0.000 0.199 722 R C 1.477 177.782 176.300 0.008 0.000 1.018 722 R CA 0.691 56.848 56.100 0.096 0.000 1.036 722 R CB -0.055 30.316 30.300 0.118 0.000 0.899 722 R HN 0.379 nan 8.270 nan 0.000 0.473 723 G N -0.967 107.773 108.800 -0.100 0.000 3.581 723 G HA2 -0.083 3.884 3.960 0.012 0.000 0.248 723 G HA3 -0.083 3.884 3.960 0.012 0.000 0.248 723 G C 1.125 175.932 174.900 -0.155 0.000 1.037 723 G CA -0.092 44.941 45.100 -0.112 0.000 0.902 723 G HN 0.421 nan 8.290 nan 0.000 0.512 724 C N -0.253 118.893 119.300 -0.257 0.000 2.448 724 C HA 0.545 5.012 4.460 0.012 0.000 0.280 724 C C 1.496 176.559 174.990 0.122 0.000 1.398 724 C CA 0.039 58.991 59.018 -0.110 0.000 1.774 724 C CB -1.133 26.453 27.740 -0.258 0.000 1.888 724 C HN 1.393 nan 8.230 nan 0.000 0.519 725 G N -0.009 108.828 108.800 0.063 0.000 2.617 725 G HA2 0.122 4.089 3.960 0.012 0.000 0.686 725 G HA3 0.122 4.089 3.960 0.012 0.000 0.686 725 G C 0.296 175.243 174.900 0.078 0.000 1.214 725 G CA 0.275 45.431 45.100 0.094 0.000 0.796 725 G HN 0.986 nan 8.290 nan 0.000 0.654 726 T N -1.173 113.422 114.554 0.069 0.000 2.759 726 T HA 0.089 4.446 4.350 0.012 0.000 0.269 726 T C 2.658 177.399 174.700 0.069 0.000 1.042 726 T CA 2.708 64.854 62.100 0.077 0.000 1.140 726 T CB -0.400 68.498 68.868 0.051 0.000 0.864 726 T HN 2.099 nan 8.240 nan 0.000 0.455 727 A N 2.579 125.419 122.820 0.034 0.000 1.851 727 A HA 0.007 4.334 4.320 0.012 0.000 0.216 727 A C 2.621 180.193 177.584 -0.020 0.000 1.195 727 A CA 2.036 54.082 52.037 0.016 0.000 0.622 727 A CB -0.845 18.142 19.000 -0.023 0.000 0.831 727 A HN 0.459 nan 8.150 nan 0.000 0.444 728 M N -0.593 118.941 119.600 -0.110 0.000 2.082 728 M HA -0.159 4.328 4.480 0.012 0.000 0.258 728 M C 2.300 178.431 176.300 -0.281 0.000 1.069 728 M CA 1.419 56.520 55.300 -0.333 0.000 1.102 728 M CB -1.225 31.238 32.600 -0.228 0.000 1.336 728 M HN 0.418 nan 8.290 nan 0.000 0.404 729 L N -0.815 120.419 121.223 0.018 0.000 2.043 729 L HA -0.288 4.059 4.340 0.012 0.000 0.212 729 L C 2.659 179.577 176.870 0.081 0.000 1.075 729 L CA 1.892 56.815 54.840 0.137 0.000 0.752 729 L CB -0.875 41.278 42.059 0.157 0.000 0.891 729 L HN 0.427 nan 8.230 nan 0.000 0.432 730 H N -0.310 118.744 119.070 -0.027 0.000 2.326 730 H HA -0.167 4.396 4.556 0.012 0.000 0.301 730 H C 1.859 177.147 175.328 -0.067 0.000 1.081 730 H CA 1.881 57.912 56.048 -0.027 0.000 1.334 730 H CB -0.015 29.730 29.762 -0.029 0.000 1.385 730 H HN 0.218 nan 8.280 nan 0.000 0.504 731 D N 0.242 120.430 120.400 -0.353 0.000 2.104 731 D HA -0.180 4.467 4.640 0.012 0.000 0.194 731 D C 2.174 178.278 176.300 -0.327 0.000 0.994 731 D CA 1.393 55.131 54.000 -0.437 0.000 0.830 731 D CB -0.667 39.867 40.800 -0.443 0.000 0.959 731 D HN 0.454 nan 8.370 nan 0.000 0.452 732 F N 1.133 120.909 119.950 -0.289 0.000 2.161 732 F HA -0.191 4.343 4.527 0.012 0.000 0.300 732 F C 2.687 178.350 175.800 -0.228 0.000 1.089 732 F CA 0.989 58.732 58.000 -0.428 0.000 1.282 732 F CB -0.498 38.044 39.000 -0.765 0.000 1.010 732 F HN -0.079 nan 8.300 nan 0.000 0.485 733 T N -0.549 114.009 114.554 0.006 0.000 2.684 733 T HA -0.206 4.151 4.350 0.012 0.000 0.267 733 T C 1.939 176.619 174.700 -0.034 0.000 1.036 733 T CA 1.269 63.365 62.100 -0.006 0.000 1.148 733 T CB -0.257 68.603 68.868 -0.014 0.000 0.863 733 T HN 0.249 nan 8.240 nan 0.000 0.436 734 Q N 0.958 120.684 119.800 -0.123 0.000 2.079 734 Q HA -0.087 4.260 4.340 0.012 0.000 0.200 734 Q C 2.472 178.469 176.000 -0.005 0.000 0.974 734 Q CA 1.298 57.054 55.803 -0.078 0.000 0.840 734 Q CB -0.337 28.329 28.738 -0.121 0.000 0.898 734 Q HN 0.661 nan 8.270 nan 0.000 0.430 735 Q N -0.021 119.819 119.800 0.067 0.000 2.084 735 Q HA -0.104 4.243 4.340 0.012 0.000 0.202 735 Q C 2.272 178.383 176.000 0.186 0.000 0.978 735 Q CA 1.356 57.257 55.803 0.164 0.000 0.844 735 Q CB -0.037 28.956 28.738 0.425 0.000 0.898 735 Q HN 0.137 nan 8.270 nan 0.000 0.426 736 V N 1.043 121.079 119.914 0.204 0.000 2.358 736 V HA -0.265 3.862 4.120 0.012 0.000 0.246 736 V C 2.118 178.267 176.094 0.093 0.000 1.047 736 V CA 1.778 64.203 62.300 0.208 0.000 1.035 736 V CB -0.511 31.408 31.823 0.159 0.000 0.658 736 V HN 0.378 nan 8.190 nan 0.000 0.452 737 Q N -0.584 119.235 119.800 0.031 0.000 2.084 737 Q HA -0.177 4.170 4.340 0.012 0.000 0.202 737 Q C 2.365 178.332 176.000 -0.055 0.000 0.978 737 Q CA 1.833 57.633 55.803 -0.006 0.000 0.844 737 Q CB -0.369 28.363 28.738 -0.010 0.000 0.898 737 Q HN 0.523 nan 8.270 nan 0.000 0.426 738 V N 1.609 121.443 119.914 -0.133 0.000 2.261 738 V HA -0.274 3.853 4.120 0.012 0.000 0.246 738 V C 2.300 178.258 176.094 -0.227 0.000 1.047 738 V CA 2.122 64.258 62.300 -0.274 0.000 1.015 738 V CB -0.650 30.743 31.823 -0.716 0.000 0.642 738 V HN 0.486 nan 8.190 nan 0.000 0.446 739 I N -1.188 119.310 120.570 -0.121 0.000 2.394 739 I HA -0.178 3.999 4.170 0.012 0.000 0.251 739 I C 2.255 178.380 176.117 0.013 0.000 1.136 739 I CA 1.918 63.238 61.300 0.033 0.000 1.425 739 I CB -0.635 37.522 38.000 0.261 0.000 1.079 739 I HN 0.259 nan 8.210 nan 0.000 0.425 740 E N 0.944 121.166 120.200 0.036 0.000 2.110 740 E HA -0.184 4.173 4.350 0.012 0.000 0.193 740 E C 2.203 178.780 176.600 -0.038 0.000 0.988 740 E CA 1.785 58.203 56.400 0.030 0.000 0.804 740 E CB -0.128 29.597 29.700 0.042 0.000 0.745 740 E HN 0.561 nan 8.360 nan 0.000 0.458 741 M N -0.242 119.309 119.600 -0.081 0.000 2.077 741 M HA -0.129 4.358 4.480 0.012 0.000 0.261 741 M C 2.172 178.372 176.300 -0.166 0.000 1.070 741 M CA 1.215 56.456 55.300 -0.098 0.000 1.125 741 M CB -0.195 32.352 32.600 -0.089 0.000 1.339 741 M HN 0.146 nan 8.290 nan 0.000 0.409 742 L N -0.252 120.791 121.223 -0.301 0.000 2.191 742 L HA -0.221 4.126 4.340 0.012 0.000 0.212 742 L C 2.510 179.079 176.870 -0.502 0.000 1.103 742 L CA 1.159 55.686 54.840 -0.521 0.000 0.769 742 L CB -0.767 40.689 42.059 -1.006 0.000 0.908 742 L HN 0.440 nan 8.230 nan 0.000 0.438 743 Q N 0.206 119.818 119.800 -0.312 0.000 2.079 743 Q HA -0.204 4.143 4.340 0.012 0.000 0.200 743 Q C 2.246 178.225 176.000 -0.036 0.000 0.974 743 Q CA 1.430 57.197 55.803 -0.061 0.000 0.840 743 Q CB 0.012 28.796 28.738 0.076 0.000 0.898 743 Q HN 0.478 nan 8.270 nan 0.000 0.430 744 K N -0.048 120.320 120.400 -0.054 0.000 2.002 744 K HA -0.139 4.188 4.320 0.012 0.000 0.209 744 K C 2.125 178.699 176.600 -0.043 0.000 1.048 744 K CA 1.495 57.760 56.287 -0.036 0.000 0.930 744 K CB -0.203 32.277 32.500 -0.034 0.000 0.714 744 K HN 0.012 nan 8.250 nan 0.000 0.438 745 V N 1.431 121.305 119.914 -0.067 0.000 2.287 745 V HA -0.284 3.843 4.120 0.012 0.000 0.248 745 V C 2.199 178.276 176.094 -0.028 0.000 1.053 745 V CA 2.238 64.507 62.300 -0.052 0.000 1.027 745 V CB -0.816 30.963 31.823 -0.073 0.000 0.646 745 V HN 0.426 nan 8.190 nan 0.000 0.447 746 T N 0.548 115.084 114.554 -0.030 0.000 2.665 746 T HA -0.209 4.148 4.350 0.012 0.000 0.268 746 T C 1.857 176.578 174.700 0.036 0.000 1.035 746 T CA 1.891 64.017 62.100 0.043 0.000 1.151 746 T CB -0.349 68.594 68.868 0.125 0.000 0.862 746 T HN 0.315 nan 8.240 nan 0.000 0.438 747 L N 0.687 121.908 121.223 -0.004 0.000 2.027 747 L HA -0.095 4.252 4.340 0.012 0.000 0.206 747 L C 2.547 179.386 176.870 -0.052 0.000 1.074 747 L CA 1.197 55.996 54.840 -0.069 0.000 0.745 747 L CB -0.611 41.391 42.059 -0.095 0.000 0.898 747 L HN 0.156 nan 8.230 nan 0.000 0.433 748 D N 0.211 120.593 120.400 -0.031 0.000 2.123 748 D HA -0.188 4.459 4.640 0.012 0.000 0.196 748 D C 2.088 178.383 176.300 -0.009 0.000 0.992 748 D CA 1.250 55.237 54.000 -0.021 0.000 0.833 748 D CB -0.127 40.663 40.800 -0.017 0.000 0.954 748 D HN 0.175 nan 8.370 nan 0.000 0.455 749 I N 0.606 121.177 120.570 0.002 0.000 2.315 749 I HA -0.204 3.973 4.170 0.012 0.000 0.248 749 I C 2.087 178.218 176.117 0.024 0.000 1.117 749 I CA 1.004 62.314 61.300 0.017 0.000 1.404 749 I CB -0.111 37.907 38.000 0.030 0.000 1.071 749 I HN -0.184 nan 8.210 nan 0.000 0.419 750 K N 0.314 120.728 120.400 0.022 0.000 2.103 750 K HA -0.109 4.218 4.320 0.012 0.000 0.207 750 K C 2.167 178.777 176.600 0.017 0.000 1.048 750 K CA 1.770 58.076 56.287 0.032 0.000 0.930 750 K CB -0.402 32.108 32.500 0.018 0.000 0.716 750 K HN 0.237 nan 8.250 nan 0.000 0.444 751 S N 0.411 116.109 115.700 -0.004 0.000 2.368 751 S HA -0.020 4.457 4.470 0.012 0.000 0.224 751 S C 1.301 175.906 174.600 0.008 0.000 1.029 751 S CA 1.048 59.247 58.200 -0.003 0.000 0.988 751 S CB -0.197 62.995 63.200 -0.012 0.000 0.838 751 S HN 0.284 nan 8.310 nan 0.000 0.462 752 L N 1.569 122.798 121.223 0.010 0.000 2.693 752 L HA 0.179 4.526 4.340 0.012 0.000 0.242 752 L C -0.231 176.651 176.870 0.020 0.000 1.157 752 L CA 0.089 54.937 54.840 0.013 0.000 0.929 752 L CB -0.451 41.615 42.059 0.012 0.000 1.103 752 L HN 0.064 nan 8.230 nan 0.000 0.430 753 S N -0.645 115.069 115.700 0.024 0.000 2.614 753 S HA 0.641 5.118 4.470 0.012 0.000 0.275 753 S C 0.167 174.786 174.600 0.031 0.000 1.161 753 S CA -0.667 57.552 58.200 0.031 0.000 0.969 753 S CB 2.249 65.475 63.200 0.043 0.000 1.059 753 S HN 0.219 nan 8.310 nan 0.000 0.482 754 A N 1.979 124.814 122.820 0.025 0.000 2.790 754 A HA 0.548 4.875 4.320 0.012 0.000 0.225 754 A C 1.327 178.920 177.584 0.016 0.000 1.904 754 A CA 0.516 52.563 52.037 0.018 0.000 0.878 754 A CB -0.256 18.748 19.000 0.007 0.000 1.774 754 A HN 0.753 nan 8.150 nan 0.000 0.714 755 E N -0.467 119.728 120.200 -0.008 0.000 2.110 755 E HA 0.058 4.415 4.350 0.012 0.000 0.193 755 E C 0.629 177.178 176.600 -0.085 0.000 0.950 755 E CA 0.611 56.992 56.400 -0.032 0.000 0.840 755 E CB -0.176 29.496 29.700 -0.045 0.000 0.809 755 E HN 0.448 nan 8.360 nan 0.000 0.465 756 K N 2.056 122.386 120.400 -0.117 0.000 2.320 756 K HA -0.095 4.232 4.320 0.012 0.000 0.269 756 K C -0.711 175.859 176.600 -0.050 0.000 1.182 756 K CA -0.219 55.948 56.287 -0.200 0.000 1.190 756 K CB -0.550 31.889 32.500 -0.101 0.000 0.850 756 K HN 0.092 nan 8.250 nan 0.000 0.467 757 Y N 2.569 122.881 120.300 0.020 0.000 2.993 757 Y HA -0.053 4.504 4.550 0.012 0.000 0.340 757 Y C 0.535 176.442 175.900 0.011 0.000 1.273 757 Y CA 0.253 58.362 58.100 0.016 0.000 1.545 757 Y CB 0.050 38.519 38.460 0.016 0.000 1.275 757 Y HN 0.848 nan 8.280 nan 0.000 0.617 758 D N -2.200 118.330 120.400 0.217 0.000 1.370 758 D HA 0.012 4.659 4.640 0.012 0.000 0.630 758 D C -0.659 175.675 176.300 0.057 0.000 1.094 758 D CA 0.062 54.129 54.000 0.111 0.000 0.752 758 D CB -0.132 40.733 40.800 0.109 0.000 3.079 758 D HN 0.678 nan 8.370 nan 0.000 0.225 759 V N 1.058 121.006 119.914 0.057 0.000 3.585 759 V HA 0.012 4.139 4.120 0.012 0.000 0.489 759 V C 0.198 176.304 176.094 0.019 0.000 0.682 759 V CA 0.249 62.569 62.300 0.034 0.000 2.013 759 V CB -1.629 30.207 31.823 0.021 0.000 2.442 759 V HN 1.032 nan 8.190 nan 0.000 0.504 760 S N 2.728 118.439 115.700 0.019 0.000 2.687 760 S HA 0.679 5.156 4.470 0.012 0.000 0.283 760 S C 1.388 175.992 174.600 0.005 0.000 1.170 760 S CA -0.002 58.204 58.200 0.011 0.000 1.008 760 S CB 1.834 65.042 63.200 0.013 0.000 1.026 760 S HN 2.070 nan 8.310 nan 0.000 0.541 761 S N -0.155 115.546 115.700 0.001 0.000 2.474 761 S HA -0.191 4.286 4.470 0.012 0.000 0.235 761 S C 1.695 176.296 174.600 0.002 0.000 0.997 761 S CA 1.150 59.349 58.200 -0.001 0.000 0.949 761 S CB -0.696 62.502 63.200 -0.004 0.000 0.766 761 S HN 0.812 nan 8.310 nan 0.000 0.517 762 Q N 0.299 120.102 119.800 0.005 0.000 2.046 762 Q HA -0.048 4.299 4.340 0.012 0.000 0.200 762 Q C 2.171 178.176 176.000 0.008 0.000 0.975 762 Q CA 1.709 57.515 55.803 0.006 0.000 0.836 762 Q CB -0.332 28.410 28.738 0.007 0.000 0.896 762 Q HN 0.493 nan 8.270 nan 0.000 0.428 763 V N 0.592 120.513 119.914 0.011 0.000 2.515 763 V HA -0.180 3.947 4.120 0.012 0.000 0.250 763 V C 1.992 178.095 176.094 0.015 0.000 1.058 763 V CA 1.260 63.569 62.300 0.015 0.000 1.064 763 V CB -0.236 31.600 31.823 0.022 0.000 0.675 763 V HN 0.400 nan 8.190 nan 0.000 0.461 764 I N -0.368 120.208 120.570 0.011 0.000 2.353 764 I HA -0.142 4.035 4.170 0.012 0.000 0.248 764 I C 2.687 178.808 176.117 0.007 0.000 1.119 764 I CA 1.580 62.885 61.300 0.009 0.000 1.417 764 I CB -0.444 37.557 38.000 0.000 0.000 1.078 764 I HN 0.393 nan 8.210 nan 0.000 0.421 765 S N 0.483 116.186 115.700 0.004 0.000 2.359 765 S HA -0.230 4.247 4.470 0.012 0.000 0.224 765 S C 2.043 176.645 174.600 0.004 0.000 1.035 765 S CA 1.382 59.584 58.200 0.003 0.000 1.018 765 S CB -0.140 63.062 63.200 0.002 0.000 0.876 765 S HN 0.370 nan 8.310 nan 0.000 0.448 766 Q N 0.511 120.314 119.800 0.006 0.000 2.226 766 Q HA -0.040 4.307 4.340 0.012 0.000 0.204 766 Q C 2.188 178.191 176.000 0.005 0.000 0.975 766 Q CA 0.938 56.744 55.803 0.005 0.000 0.866 766 Q CB -0.496 28.246 28.738 0.007 0.000 0.915 766 Q HN 0.568 nan 8.270 nan 0.000 0.440 767 L N 0.673 121.901 121.223 0.009 0.000 2.023 767 L HA -0.164 4.183 4.340 0.012 0.000 0.205 767 L C 2.098 178.970 176.870 0.004 0.000 1.073 767 L CA 1.311 56.157 54.840 0.010 0.000 0.745 767 L CB -0.145 41.927 42.059 0.021 0.000 0.900 767 L HN 0.162 nan 8.230 nan 0.000 0.435 768 K N -0.445 119.957 120.400 0.004 0.000 2.152 768 K HA -0.235 4.092 4.320 0.012 0.000 0.206 768 K C 1.980 178.579 176.600 -0.001 0.000 1.048 768 K CA 1.483 57.771 56.287 0.001 0.000 0.933 768 K CB -0.143 32.358 32.500 0.002 0.000 0.721 768 K HN 0.531 nan 8.250 nan 0.000 0.447 769 Q N 0.895 120.695 119.800 -0.000 0.000 2.046 769 Q HA -0.117 4.230 4.340 0.012 0.000 0.200 769 Q C 1.988 177.986 176.000 -0.003 0.000 0.975 769 Q CA 1.335 57.138 55.803 -0.001 0.000 0.836 769 Q CB -0.025 28.713 28.738 0.000 0.000 0.896 769 Q HN 0.244 nan 8.270 nan 0.000 0.428 770 K N 0.472 120.870 120.400 -0.004 0.000 2.097 770 K HA -0.118 4.209 4.320 0.012 0.000 0.206 770 K C 2.054 178.646 176.600 -0.012 0.000 1.049 770 K CA 0.962 57.244 56.287 -0.009 0.000 0.933 770 K CB -0.055 32.439 32.500 -0.011 0.000 0.717 770 K HN 0.173 nan 8.250 nan 0.000 0.442 771 L N 0.842 122.058 121.223 -0.013 0.000 2.072 771 L HA -0.140 4.207 4.340 0.012 0.000 0.205 771 L C 2.311 179.176 176.870 -0.008 0.000 1.079 771 L CA 0.887 55.717 54.840 -0.017 0.000 0.752 771 L CB -0.356 41.689 42.059 -0.025 0.000 0.906 771 L HN 0.164 nan 8.230 nan 0.000 0.436 772 E N 0.539 120.737 120.200 -0.004 0.000 2.130 772 E HA -0.243 4.114 4.350 0.012 0.000 0.196 772 E C 1.780 178.382 176.600 0.004 0.000 0.998 772 E CA 1.412 57.813 56.400 0.001 0.000 0.806 772 E CB -0.462 29.239 29.700 0.001 0.000 0.738 772 E HN 0.635 nan 8.360 nan 0.000 0.459 773 N N 0.232 118.932 118.700 0.001 0.000 2.142 773 N HA -0.079 4.668 4.740 0.012 0.000 0.186 773 N C 2.088 177.600 175.510 0.004 0.000 1.023 773 N CA 0.552 53.603 53.050 0.002 0.000 0.852 773 N CB -0.014 38.472 38.487 -0.002 0.000 0.998 773 N HN 0.077 nan 8.380 nan 0.000 0.424 774 L N 0.655 121.879 121.223 0.002 0.000 2.027 774 L HA -0.150 4.197 4.340 0.012 0.000 0.206 774 L C 2.420 179.304 176.870 0.023 0.000 1.074 774 L CA 0.994 55.838 54.840 0.007 0.000 0.745 774 L CB -0.603 41.456 42.059 -0.000 0.000 0.898 774 L HN 0.160 nan 8.230 nan 0.000 0.433 775 Q N 0.721 120.537 119.800 0.026 0.000 2.404 775 Q HA -0.176 4.171 4.340 0.012 0.000 0.214 775 Q C 0.818 176.840 176.000 0.036 0.000 0.992 775 Q CA 1.140 56.966 55.803 0.038 0.000 0.899 775 Q CB -0.214 28.541 28.738 0.028 0.000 0.921 775 Q HN 0.456 nan 8.270 nan 0.000 0.453 776 N N -1.179 117.536 118.700 0.026 0.000 2.332 776 N HA 0.003 4.750 4.740 0.012 0.000 0.285 776 N C -0.692 174.835 175.510 0.027 0.000 1.292 776 N CA 0.309 53.373 53.050 0.023 0.000 0.947 776 N CB -0.030 38.467 38.487 0.016 0.000 1.084 776 N HN -0.020 nan 8.380 nan 0.000 0.529 777 S N 0.307 116.021 115.700 0.023 0.000 3.829 777 S HA 0.079 4.556 4.470 0.012 0.000 0.250 777 S C 0.097 174.711 174.600 0.022 0.000 1.263 777 S CA 0.199 58.414 58.200 0.025 0.000 0.955 777 S CB -0.730 62.483 63.200 0.022 0.000 1.611 777 S HN 0.344 nan 8.310 nan 0.000 0.483 778 Q N 1.779 121.594 119.800 0.025 0.000 2.340 778 Q HA 0.190 4.537 4.340 0.012 0.000 0.173 778 Q C -0.248 175.763 176.000 0.020 0.000 0.692 778 Q CA -0.144 55.670 55.803 0.017 0.000 0.904 778 Q CB 0.169 28.912 28.738 0.009 0.000 1.228 778 Q HN 0.624 nan 8.270 nan 0.000 0.387 779 L N 4.760 126.002 121.223 0.031 0.000 2.283 779 L HA 0.328 4.675 4.340 0.012 0.000 0.287 779 L C -2.322 174.593 176.870 0.075 0.000 1.073 779 L CA -1.490 53.377 54.840 0.045 0.000 0.822 779 L CB 0.867 42.970 42.059 0.072 0.000 1.186 779 L HN -0.108 nan 8.230 nan 0.000 0.436 780 P HA -0.048 nan 4.420 nan 0.000 0.267 780 P C 0.345 177.722 177.300 0.129 0.000 1.195 780 P CA -0.107 63.048 63.100 0.091 0.000 0.773 780 P CB 0.525 32.274 31.700 0.081 0.000 0.837 781 E N 0.360 120.621 120.200 0.103 0.000 2.086 781 E HA -0.147 4.210 4.350 0.012 0.000 0.200 781 E C 0.777 177.440 176.600 0.105 0.000 1.012 781 E CA 1.812 58.267 56.400 0.092 0.000 0.812 781 E CB -0.371 29.367 29.700 0.064 0.000 0.743 781 E HN 0.661 nan 8.360 nan 0.000 0.453 782 S N -1.231 114.532 115.700 0.105 0.000 2.705 782 S HA 0.697 5.174 4.470 0.012 0.000 0.280 782 S C -0.751 173.929 174.600 0.133 0.000 1.174 782 S CA -0.964 57.266 58.200 0.050 0.000 0.823 782 S CB 1.918 65.078 63.200 -0.066 0.000 1.162 782 S HN 0.212 nan 8.310 nan 0.000 0.487 783 F N -2.049 117.824 119.950 -0.128 0.000 2.746 783 F HA 0.656 5.190 4.527 0.012 0.000 0.311 783 F C -1.250 174.426 175.800 -0.207 0.000 1.135 783 F CA -1.247 56.659 58.000 -0.158 0.000 0.954 783 F CB 0.935 39.851 39.000 -0.139 0.000 1.276 783 F HN 0.668 nan 8.300 nan 0.000 0.440 784 R N 1.773 122.195 120.500 -0.130 0.000 2.390 784 R HA 0.586 4.933 4.340 0.012 0.000 0.291 784 R C -0.936 175.245 176.300 -0.200 0.000 1.070 784 R CA -1.025 54.913 56.100 -0.270 0.000 1.014 784 R CB 1.654 31.802 30.300 -0.254 0.000 1.007 784 R HN 0.576 nan 8.270 nan 0.000 0.466 785 V N 6.008 125.673 119.914 -0.416 0.000 2.479 785 V HA 0.003 4.130 4.120 0.012 0.000 0.281 785 V C -1.443 174.346 176.094 -0.510 0.000 1.031 785 V CA -0.969 61.038 62.300 -0.488 0.000 1.038 785 V CB 1.065 32.479 31.823 -0.681 0.000 0.981 785 V HN 0.651 nan 8.190 nan 0.000 0.478 786 P HA -0.163 nan 4.420 nan 0.000 0.216 786 P C 1.016 178.100 177.300 -0.360 0.000 1.150 786 P CA 1.564 64.346 63.100 -0.530 0.000 0.843 786 P CB -0.005 31.015 31.700 -1.133 0.000 0.787 787 Y N -3.032 117.183 120.300 -0.142 0.000 2.466 787 Y HA 0.430 4.987 4.550 0.012 0.000 0.272 787 Y C 0.091 176.060 175.900 0.116 0.000 1.169 787 Y CA -0.544 57.605 58.100 0.081 0.000 1.285 787 Y CB -0.546 37.967 38.460 0.088 0.000 1.078 787 Y HN -0.182 nan 8.280 nan 0.000 0.523 788 D N 1.440 121.656 120.400 -0.305 0.000 2.823 788 D HA 0.175 4.822 4.640 0.012 0.000 0.255 788 D C -2.130 173.958 176.300 -0.353 0.000 1.257 788 D CA -2.148 51.761 54.000 -0.150 0.000 0.803 788 D CB 0.996 41.753 40.800 -0.071 0.000 1.384 788 D HN -0.029 nan 8.370 nan 0.000 0.541 789 P HA -0.130 nan 4.420 nan 0.000 0.218 789 P C 1.375 178.395 177.300 -0.468 0.000 1.146 789 P CA 1.026 63.681 63.100 -0.742 0.000 0.820 789 P CB 0.216 31.182 31.700 -1.224 0.000 0.778 790 G N -0.665 107.951 108.800 -0.307 0.000 2.598 790 G HA2 -0.008 3.959 3.960 0.012 0.000 0.215 790 G HA3 -0.008 3.959 3.960 0.012 0.000 0.215 790 G C 0.713 175.456 174.900 -0.262 0.000 1.131 790 G CA -0.090 44.867 45.100 -0.238 0.000 0.785 790 G HN 0.246 nan 8.290 nan 0.000 0.539 791 L N 1.015 122.071 121.223 -0.279 0.000 2.295 791 L HA 0.418 4.765 4.340 0.012 0.000 0.285 791 L C -0.437 176.225 176.870 -0.345 0.000 1.035 791 L CA -0.692 53.981 54.840 -0.278 0.000 0.806 791 L CB 1.767 43.681 42.059 -0.243 0.000 1.214 791 L HN -0.112 nan 8.230 nan 0.000 0.426 792 K N 3.205 123.409 120.400 -0.325 0.000 2.235 792 K HA 0.582 4.909 4.320 0.012 0.000 0.266 792 K C -0.716 175.618 176.600 -0.443 0.000 0.980 792 K CA -0.371 55.689 56.287 -0.379 0.000 0.849 792 K CB 2.017 34.356 32.500 -0.268 0.000 1.098 792 K HN 0.642 nan 8.250 nan 0.000 0.445 793 A N 2.532 124.908 122.820 -0.739 0.000 2.312 793 A HA 0.728 5.055 4.320 0.012 0.000 0.326 793 A C 0.475 177.770 177.584 -0.481 0.000 1.172 793 A CA -0.236 51.371 52.037 -0.717 0.000 0.821 793 A CB 1.193 19.415 19.000 -1.298 0.000 1.166 793 A HN 0.754 nan 8.150 nan 0.000 0.493 794 G N 0.141 108.854 108.800 -0.145 0.000 3.271 794 G HA2 0.576 4.543 3.960 0.012 0.000 0.174 794 G HA3 0.576 4.543 3.960 0.012 0.000 0.174 794 G C 0.510 175.519 174.900 0.181 0.000 1.385 794 G CA 0.145 45.246 45.100 0.001 0.000 0.979 794 G HN 1.418 nan 8.290 nan 0.000 0.610 795 A N -0.801 122.117 122.820 0.163 0.000 2.386 795 A HA 0.554 4.881 4.320 0.012 0.000 0.248 795 A C 0.150 177.861 177.584 0.212 0.000 1.082 795 A CA -0.292 51.861 52.037 0.194 0.000 0.789 795 A CB 0.004 19.067 19.000 0.104 0.000 1.025 795 A HN 0.472 nan 8.150 nan 0.000 0.490 796 L N 0.965 122.272 121.223 0.140 0.000 2.456 796 L HA 0.300 4.647 4.340 0.012 0.000 0.272 796 L C 0.961 177.787 176.870 -0.073 0.000 1.189 796 L CA 0.099 54.866 54.840 -0.121 0.000 0.846 796 L CB 0.973 42.931 42.059 -0.169 0.000 1.111 796 L HN 0.764 nan 8.230 nan 0.000 0.475 797 A N 5.054 127.805 122.820 -0.116 0.000 3.016 797 A HA 0.336 4.663 4.320 0.012 0.000 0.303 797 A C 1.192 178.749 177.584 -0.045 0.000 1.507 797 A CA -0.420 51.593 52.037 -0.039 0.000 1.196 797 A CB -0.437 18.559 19.000 -0.008 0.000 1.169 797 A HN 0.819 nan 8.150 nan 0.000 0.544 798 I N 0.196 120.743 120.570 -0.038 0.000 2.315 798 I HA -0.278 3.899 4.170 0.012 0.000 0.251 798 I C 1.943 178.058 176.117 -0.004 0.000 1.125 798 I CA 1.546 62.830 61.300 -0.028 0.000 1.392 798 I CB -0.199 37.791 38.000 -0.018 0.000 1.065 798 I HN 0.587 nan 8.210 nan 0.000 0.424 799 E N 0.933 121.136 120.200 0.005 0.000 2.268 799 E HA -0.164 4.193 4.350 0.012 0.000 0.195 799 E C 1.793 178.408 176.600 0.025 0.000 0.995 799 E CA 0.888 57.296 56.400 0.012 0.000 0.836 799 E CB -0.039 29.669 29.700 0.013 0.000 0.763 799 E HN 0.431 nan 8.360 nan 0.000 0.491 800 K N -0.491 119.933 120.400 0.041 0.000 2.367 800 K HA 0.173 4.500 4.320 0.012 0.000 0.194 800 K C -0.054 176.631 176.600 0.143 0.000 1.027 800 K CA -0.181 56.159 56.287 0.088 0.000 1.075 800 K CB 0.473 33.042 32.500 0.115 0.000 0.845 800 K HN 0.065 nan 8.250 nan 0.000 0.529 801 C N 2.319 121.675 119.300 0.093 0.000 2.595 801 C HA 0.332 4.799 4.460 0.012 0.000 0.384 801 C C 0.312 175.363 174.990 0.101 0.000 1.289 801 C CA -0.425 58.671 59.018 0.131 0.000 2.372 801 C CB -0.048 27.715 27.740 0.038 0.000 2.593 801 C HN 0.532 nan 8.230 nan 0.000 0.639 802 K N -0.538 119.942 120.400 0.132 0.000 2.842 802 K HA 0.607 4.934 4.320 0.012 0.000 0.293 802 K C -2.199 174.452 176.600 0.085 0.000 1.068 802 K CA -0.804 55.514 56.287 0.052 0.000 0.827 802 K CB 0.398 32.867 32.500 -0.051 0.000 1.524 802 K HN 0.221 nan 8.250 nan 0.000 0.368 803 V N 1.889 121.828 119.914 0.042 0.000 2.435 803 V HA 0.399 4.526 4.120 0.012 0.000 0.290 803 V C 0.008 176.119 176.094 0.028 0.000 1.030 803 V CA -0.795 61.544 62.300 0.065 0.000 0.881 803 V CB 1.266 33.121 31.823 0.054 0.000 0.983 803 V HN 0.648 nan 8.190 nan 0.000 0.445 804 M N 3.325 122.962 119.600 0.062 0.000 2.242 804 M HA 0.454 4.941 4.480 0.012 0.000 0.344 804 M C 0.476 176.795 176.300 0.032 0.000 1.140 804 M CA -0.199 55.115 55.300 0.022 0.000 1.160 804 M CB 1.106 33.758 32.600 0.086 0.000 1.491 804 M HN 0.712 nan 8.290 nan 0.000 0.459 805 A N 2.932 125.755 122.820 0.004 0.000 2.922 805 A HA 0.497 4.824 4.320 0.012 0.000 0.298 805 A C -0.169 177.455 177.584 0.066 0.000 1.588 805 A CA -0.307 51.750 52.037 0.033 0.000 1.288 805 A CB -0.578 18.417 19.000 -0.010 0.000 1.130 805 A HN 0.812 nan 8.150 nan 0.000 0.557 806 S N 0.711 116.473 115.700 0.103 0.000 2.638 806 S HA 0.566 5.043 4.470 0.012 0.000 0.274 806 S C 0.450 175.126 174.600 0.127 0.000 1.157 806 S CA -0.889 57.384 58.200 0.121 0.000 0.826 806 S CB 1.083 64.328 63.200 0.076 0.000 1.139 806 S HN 0.254 nan 8.310 nan 0.000 0.474 807 K N 1.088 121.556 120.400 0.113 0.000 2.032 807 K HA -0.052 4.275 4.320 0.012 0.000 0.218 807 K C 0.453 177.088 176.600 0.059 0.000 1.054 807 K CA 1.641 57.962 56.287 0.058 0.000 0.941 807 K CB -0.352 32.168 32.500 0.033 0.000 0.720 807 K HN 0.480 nan 8.250 nan 0.000 0.449 808 K N 1.595 122.033 120.400 0.063 0.000 2.202 808 K HA 0.114 4.441 4.320 0.012 0.000 0.264 808 K C -0.105 176.552 176.600 0.095 0.000 1.010 808 K CA -0.196 56.138 56.287 0.078 0.000 0.940 808 K CB 0.647 33.187 32.500 0.067 0.000 0.983 808 K HN -0.070 nan 8.250 nan 0.000 0.475 809 K N 2.852 123.319 120.400 0.111 0.000 2.526 809 K HA 0.235 4.562 4.320 0.012 0.000 0.214 809 K C -2.327 174.352 176.600 0.131 0.000 1.088 809 K CA -1.726 54.625 56.287 0.108 0.000 1.058 809 K CB 0.537 33.092 32.500 0.092 0.000 1.653 809 K HN 0.445 nan 8.250 nan 0.000 0.521 810 P HA 0.158 nan 4.420 nan 0.000 0.274 810 P C -0.029 177.394 177.300 0.204 0.000 1.231 810 P CA -0.360 62.848 63.100 0.180 0.000 0.790 810 P CB 1.050 32.850 31.700 0.167 0.000 0.951 811 L N 1.840 123.208 121.223 0.240 0.000 2.350 811 L HA 0.336 4.683 4.340 0.012 0.000 0.275 811 L C 0.484 177.558 176.870 0.339 0.000 1.099 811 L CA -0.431 54.560 54.840 0.252 0.000 0.808 811 L CB 0.784 42.975 42.059 0.220 0.000 1.149 811 L HN 0.506 nan 8.230 nan 0.000 0.442 812 W N 6.018 127.376 121.300 0.097 0.000 2.363 812 W HA 0.496 5.163 4.660 0.012 0.000 0.314 812 W C -1.865 174.697 176.519 0.072 0.000 0.994 812 W CA -0.734 56.666 57.345 0.092 0.000 1.449 812 W CB 0.807 30.303 29.460 0.059 0.000 1.248 812 W HN 0.382 nan 8.180 nan 0.000 0.409 813 L N 4.947 126.249 121.223 0.131 0.000 2.334 813 L HA 0.504 4.851 4.340 0.012 0.000 0.275 813 L C 0.081 176.883 176.870 -0.114 0.000 1.036 813 L CA -0.635 54.207 54.840 0.003 0.000 0.807 813 L CB 1.822 43.890 42.059 0.014 0.000 1.231 813 L HN 0.272 nan 8.230 nan 0.000 0.438 814 E N 1.655 121.709 120.200 -0.243 0.000 2.272 814 E HA 0.589 4.946 4.350 0.012 0.000 0.269 814 E C -1.664 174.747 176.600 -0.314 0.000 0.877 814 E CA -0.537 55.789 56.400 -0.124 0.000 0.755 814 E CB 2.445 32.157 29.700 0.020 0.000 1.192 814 E HN 0.218 nan 8.360 nan 0.000 0.422 815 F N 0.861 120.842 119.950 0.050 0.000 2.593 815 F HA 0.445 4.979 4.527 0.012 0.000 0.320 815 F C 0.390 176.190 175.800 -0.000 0.000 1.060 815 F CA -1.072 56.952 58.000 0.039 0.000 0.940 815 F CB 1.224 40.242 39.000 0.030 0.000 1.268 815 F HN 0.043 nan 8.300 nan 0.000 0.475 816 K N 0.348 120.858 120.400 0.183 0.000 2.154 816 K HA 0.365 4.692 4.320 0.012 0.000 0.264 816 K C -0.660 175.963 176.600 0.039 0.000 1.008 816 K CA -0.616 55.722 56.287 0.084 0.000 0.937 816 K CB 1.431 33.966 32.500 0.057 0.000 1.002 816 K HN 0.707 nan 8.250 nan 0.000 0.469 817 C N 1.977 121.272 119.300 -0.007 0.000 2.576 817 C HA 0.276 4.743 4.460 0.012 0.000 0.401 817 C C 1.436 176.382 174.990 -0.073 0.000 1.314 817 C CA -0.359 58.619 59.018 -0.067 0.000 1.855 817 C CB -1.005 26.693 27.740 -0.070 0.000 2.537 817 C HN 0.865 nan 8.230 nan 0.000 0.578 818 A N 4.255 127.008 122.820 -0.112 0.000 2.261 818 A HA 0.140 4.467 4.320 0.012 0.000 0.208 818 A C 0.661 178.189 177.584 -0.093 0.000 1.223 818 A CA 0.562 52.542 52.037 -0.094 0.000 0.833 818 A CB -0.382 18.546 19.000 -0.119 0.000 0.830 818 A HN 0.928 nan 8.150 nan 0.000 0.483 819 D N 0.090 120.428 120.400 -0.102 0.000 2.440 819 D HA 0.249 4.896 4.640 0.012 0.000 0.239 819 D C -1.788 174.459 176.300 -0.088 0.000 1.084 819 D CA -1.483 52.454 54.000 -0.105 0.000 0.843 819 D CB 1.864 42.581 40.800 -0.139 0.000 1.097 819 D HN 0.047 nan 8.370 nan 0.000 0.531 820 P HA -0.128 nan 4.420 nan 0.000 0.218 820 P C 1.210 178.466 177.300 -0.074 0.000 1.149 820 P CA 1.040 64.104 63.100 -0.060 0.000 0.817 820 P CB -0.034 31.639 31.700 -0.044 0.000 0.785 821 T N -2.660 111.836 114.554 -0.097 0.000 3.098 821 T HA 0.198 4.555 4.350 0.012 0.000 0.266 821 T C 1.092 175.698 174.700 -0.158 0.000 1.145 821 T CA 0.232 62.256 62.100 -0.126 0.000 1.092 821 T CB -0.931 67.848 68.868 -0.147 0.000 0.908 821 T HN 0.172 nan 8.240 nan 0.000 0.526 822 A N 0.968 123.709 122.820 -0.132 0.000 2.583 822 A HA 0.369 4.696 4.320 0.012 0.000 0.231 822 A C 1.008 178.513 177.584 -0.133 0.000 1.065 822 A CA -0.262 51.699 52.037 -0.127 0.000 0.760 822 A CB -0.153 18.791 19.000 -0.094 0.000 1.001 822 A HN 0.424 nan 8.150 nan 0.000 0.509 823 L N 1.037 122.180 121.223 -0.135 0.000 2.611 823 L HA 0.274 4.621 4.340 0.012 0.000 0.229 823 L C 0.863 177.678 176.870 -0.092 0.000 1.137 823 L CA 1.257 56.002 54.840 -0.158 0.000 0.901 823 L CB -0.427 41.500 42.059 -0.220 0.000 1.098 823 L HN 0.791 nan 8.230 nan 0.000 0.456 824 S N -1.897 113.768 115.700 -0.058 0.000 2.727 824 S HA 0.371 4.848 4.470 0.012 0.000 0.278 824 S C -0.034 174.555 174.600 -0.018 0.000 1.186 824 S CA -0.584 57.599 58.200 -0.029 0.000 0.836 824 S CB 0.720 63.914 63.200 -0.011 0.000 1.186 824 S HN 0.273 nan 8.310 nan 0.000 0.499 825 N N 0.326 119.025 118.700 -0.002 0.000 2.184 825 N HA 0.125 4.872 4.740 0.012 0.000 0.206 825 N C -0.835 174.686 175.510 0.017 0.000 1.151 825 N CA -0.084 52.969 53.050 0.005 0.000 0.878 825 N CB 0.619 39.111 38.487 0.009 0.000 1.014 825 N HN 0.551 nan 8.380 nan 0.000 0.512 826 E N 2.469 122.681 120.200 0.021 0.000 2.558 826 E HA -0.028 4.329 4.350 0.012 0.000 0.255 826 E C 0.566 177.189 176.600 0.038 0.000 0.968 826 E CA 0.375 56.796 56.400 0.036 0.000 0.939 826 E CB 0.481 30.205 29.700 0.039 0.000 0.921 826 E HN 0.214 nan 8.360 nan 0.000 0.477 827 T N 0.205 114.791 114.554 0.055 0.000 2.816 827 T HA 0.437 4.794 4.350 0.012 0.000 0.282 827 T C 0.328 175.073 174.700 0.075 0.000 0.993 827 T CA -0.739 61.403 62.100 0.069 0.000 0.994 827 T CB 0.608 69.525 68.868 0.082 0.000 1.025 827 T HN 0.273 nan 8.240 nan 0.000 0.529 828 I N 1.338 121.975 120.570 0.113 0.000 2.321 828 I HA 0.485 4.662 4.170 0.012 0.000 0.291 828 I C 0.974 177.201 176.117 0.185 0.000 0.998 828 I CA -0.608 60.761 61.300 0.114 0.000 1.227 828 I CB 1.083 39.114 38.000 0.052 0.000 1.368 828 I HN 0.898 nan 8.210 nan 0.000 0.466 829 G N 7.382 116.222 108.800 0.066 0.000 2.367 829 G HA2 0.796 4.763 3.960 0.012 0.000 0.314 829 G HA3 0.796 4.763 3.960 0.012 0.000 0.314 829 G C -0.687 174.211 174.900 -0.003 0.000 1.130 829 G CA -0.369 44.689 45.100 -0.069 0.000 0.864 829 G HN 0.521 nan 8.290 nan 0.000 0.486 830 I N 1.489 122.073 120.570 0.024 0.000 2.680 830 I HA 0.275 4.452 4.170 0.012 0.000 0.291 830 I C -0.915 175.250 176.117 0.079 0.000 1.244 830 I CA -0.625 60.752 61.300 0.129 0.000 1.042 830 I CB 2.576 40.807 38.000 0.385 0.000 1.277 830 I HN 0.252 nan 8.210 nan 0.000 0.423 831 I N 5.214 125.782 120.570 -0.003 0.000 2.336 831 I HA 0.334 4.511 4.170 0.012 0.000 0.292 831 I C -0.938 175.207 176.117 0.046 0.000 0.991 831 I CA -0.266 61.069 61.300 0.057 0.000 1.227 831 I CB 1.082 39.087 38.000 0.009 0.000 1.366 831 I HN 0.325 nan 8.210 nan 0.000 0.466 832 F N 6.689 126.709 119.950 0.116 0.000 2.411 832 F HA 0.488 5.023 4.527 0.012 0.000 0.352 832 F C 0.146 176.016 175.800 0.117 0.000 1.123 832 F CA -0.394 57.675 58.000 0.115 0.000 1.044 832 F CB 1.275 40.346 39.000 0.118 0.000 1.135 832 F HN 0.297 nan 8.300 nan 0.000 0.461 833 K N 2.920 123.448 120.400 0.214 0.000 2.426 833 K HA 0.452 4.779 4.320 0.012 0.000 0.251 833 K C -1.935 174.785 176.600 0.199 0.000 0.941 833 K CA -0.836 55.563 56.287 0.187 0.000 0.808 833 K CB 1.549 34.109 32.500 0.100 0.000 1.265 833 K HN 0.741 nan 8.250 nan 0.000 0.432 834 H N 1.001 120.141 119.070 0.117 0.000 2.538 834 H HA 0.528 5.091 4.556 0.012 0.000 0.353 834 H C 0.311 175.685 175.328 0.077 0.000 1.109 834 H CA 0.693 56.801 56.048 0.099 0.000 1.192 834 H CB 2.027 31.848 29.762 0.099 0.000 1.555 834 H HN 0.766 nan 8.280 nan 0.000 0.518 835 G N 3.627 111.996 108.800 -0.718 0.000 2.296 835 G HA2 -0.149 3.818 3.960 0.012 0.000 0.188 835 G HA3 -0.149 3.818 3.960 0.012 0.000 0.188 835 G C -0.814 173.977 174.900 -0.181 0.000 1.000 835 G CA -0.005 44.852 45.100 -0.406 0.000 0.672 835 G HN 0.649 nan 8.290 nan 0.000 0.483 836 D N 0.572 120.892 120.400 -0.134 0.000 2.619 836 D HA 0.482 5.129 4.640 0.012 0.000 0.241 836 D C -1.405 174.872 176.300 -0.039 0.000 1.087 836 D CA -0.417 53.551 54.000 -0.052 0.000 0.851 836 D CB 1.812 42.601 40.800 -0.019 0.000 1.474 836 D HN 0.005 nan 8.370 nan 0.000 0.478 837 D N 2.136 122.525 120.400 -0.018 0.000 2.402 837 D HA 0.053 4.700 4.640 0.012 0.000 0.235 837 D C 0.706 177.001 176.300 -0.009 0.000 1.226 837 D CA -0.342 53.650 54.000 -0.014 0.000 0.918 837 D CB 0.619 41.407 40.800 -0.019 0.000 1.043 837 D HN 0.067 nan 8.370 nan 0.000 0.506 838 L N 3.842 125.068 121.223 0.006 0.000 2.610 838 L HA 0.093 4.440 4.340 0.012 0.000 0.232 838 L C 2.207 179.079 176.870 0.002 0.000 1.149 838 L CA 0.677 55.530 54.840 0.022 0.000 0.872 838 L CB -0.562 41.516 42.059 0.032 0.000 0.992 838 L HN 0.363 nan 8.230 nan 0.000 0.447 839 R N -0.936 119.548 120.500 -0.026 0.000 2.092 839 R HA -0.137 4.210 4.340 0.012 0.000 0.231 839 R C 2.042 178.288 176.300 -0.091 0.000 1.119 839 R CA 1.075 57.136 56.100 -0.064 0.000 0.970 839 R CB -0.056 30.201 30.300 -0.073 0.000 0.864 839 R HN 0.530 nan 8.270 nan 0.000 0.440 840 Q N 0.323 120.073 119.800 -0.084 0.000 2.079 840 Q HA -0.151 4.196 4.340 0.012 0.000 0.200 840 Q C 1.376 177.349 176.000 -0.045 0.000 0.974 840 Q CA 1.594 57.335 55.803 -0.103 0.000 0.840 840 Q CB -0.036 28.609 28.738 -0.155 0.000 0.898 840 Q HN 0.339 nan 8.270 nan 0.000 0.430 841 D N 0.614 121.040 120.400 0.045 0.000 2.117 841 D HA -0.146 4.501 4.640 0.012 0.000 0.197 841 D C 1.822 178.116 176.300 -0.009 0.000 0.987 841 D CA 1.206 55.295 54.000 0.149 0.000 0.829 841 D CB -0.064 40.883 40.800 0.244 0.000 0.961 841 D HN 0.163 nan 8.370 nan 0.000 0.460 842 M N -0.228 119.345 119.600 -0.044 0.000 2.080 842 M HA -0.157 4.330 4.480 0.012 0.000 0.260 842 M C 1.671 177.863 176.300 -0.180 0.000 1.068 842 M CA 0.891 56.129 55.300 -0.104 0.000 1.109 842 M CB -0.183 32.344 32.600 -0.121 0.000 1.342 842 M HN 0.069 nan 8.290 nan 0.000 0.405 843 L N 0.368 121.481 121.223 -0.184 0.000 1.990 843 L HA -0.232 4.115 4.340 0.012 0.000 0.213 843 L C 2.375 179.125 176.870 -0.199 0.000 1.072 843 L CA 1.804 56.528 54.840 -0.192 0.000 0.755 843 L CB -1.238 40.720 42.059 -0.168 0.000 0.889 843 L HN 0.281 nan 8.230 nan 0.000 0.432 844 I N -1.108 119.318 120.570 -0.240 0.000 2.127 844 I HA -0.274 3.903 4.170 0.012 0.000 0.241 844 I C 2.452 178.336 176.117 -0.389 0.000 1.075 844 I CA 1.089 62.169 61.300 -0.367 0.000 1.334 844 I CB -1.107 36.469 38.000 -0.706 0.000 1.040 844 I HN 0.191 nan 8.210 nan 0.000 0.405 845 L N 0.312 121.311 121.223 -0.374 0.000 2.079 845 L HA -0.222 4.125 4.340 0.012 0.000 0.210 845 L C 2.548 179.283 176.870 -0.225 0.000 1.081 845 L CA 1.645 56.303 54.840 -0.304 0.000 0.752 845 L CB -1.460 40.429 42.059 -0.283 0.000 0.896 845 L HN 0.307 nan 8.230 nan 0.000 0.433 846 Q N -0.383 119.291 119.800 -0.209 0.000 2.123 846 Q HA -0.073 4.274 4.340 0.012 0.000 0.199 846 Q C 2.230 178.127 176.000 -0.171 0.000 0.966 846 Q CA 1.432 57.123 55.803 -0.187 0.000 0.845 846 Q CB -0.172 28.444 28.738 -0.203 0.000 0.907 846 Q HN 0.517 nan 8.270 nan 0.000 0.439 847 I N -0.286 120.183 120.570 -0.168 0.000 2.394 847 I HA -0.229 3.948 4.170 0.012 0.000 0.251 847 I C 1.502 177.510 176.117 -0.182 0.000 1.136 847 I CA 0.294 61.506 61.300 -0.147 0.000 1.425 847 I CB -0.171 37.763 38.000 -0.110 0.000 1.079 847 I HN 0.217 nan 8.210 nan 0.000 0.425 848 L N 0.608 121.717 121.223 -0.191 0.000 2.083 848 L HA -0.156 4.191 4.340 0.012 0.000 0.209 848 L C 2.557 179.330 176.870 -0.160 0.000 1.083 848 L CA 1.749 56.476 54.840 -0.189 0.000 0.752 848 L CB -0.850 41.110 42.059 -0.165 0.000 0.899 848 L HN 0.129 nan 8.230 nan 0.000 0.433 849 R N -1.013 119.411 120.500 -0.126 0.000 2.092 849 R HA -0.076 4.271 4.340 0.012 0.000 0.231 849 R C 2.262 178.543 176.300 -0.032 0.000 1.119 849 R CA 1.179 57.246 56.100 -0.056 0.000 0.970 849 R CB -0.282 29.977 30.300 -0.068 0.000 0.864 849 R HN 0.307 nan 8.270 nan 0.000 0.440 850 I N 0.463 120.963 120.570 -0.116 0.000 2.252 850 I HA -0.280 3.897 4.170 0.012 0.000 0.245 850 I C 2.292 178.219 176.117 -0.317 0.000 1.102 850 I CA 1.329 62.507 61.300 -0.203 0.000 1.385 850 I CB -0.120 37.753 38.000 -0.211 0.000 1.064 850 I HN 0.162 nan 8.210 nan 0.000 0.414 851 M N -0.195 119.168 119.600 -0.395 0.000 2.267 851 M HA -0.237 4.250 4.480 0.012 0.000 0.263 851 M C 2.067 177.922 176.300 -0.742 0.000 1.063 851 M CA 1.715 56.576 55.300 -0.732 0.000 1.090 851 M CB -0.437 31.637 32.600 -0.876 0.000 1.392 851 M HN 0.231 nan 8.290 nan 0.000 0.422 852 E N -0.040 119.984 120.200 -0.293 0.000 2.072 852 E HA -0.140 4.217 4.350 0.012 0.000 0.190 852 E C 2.137 178.733 176.600 -0.005 0.000 0.982 852 E CA 1.636 58.037 56.400 0.001 0.000 0.803 852 E CB -0.002 29.740 29.700 0.069 0.000 0.755 852 E HN 0.545 nan 8.360 nan 0.000 0.453 853 S N 0.579 116.212 115.700 -0.112 0.000 2.423 853 S HA -0.089 4.388 4.470 0.012 0.000 0.231 853 S C 2.003 176.503 174.600 -0.168 0.000 1.014 853 S CA 0.512 58.627 58.200 -0.142 0.000 0.965 853 S CB -0.325 62.636 63.200 -0.399 0.000 0.785 853 S HN 0.150 nan 8.310 nan 0.000 0.495 854 I N -0.110 120.278 120.570 -0.304 0.000 2.252 854 I HA -0.090 4.087 4.170 0.012 0.000 0.245 854 I C 2.391 178.436 176.117 -0.120 0.000 1.102 854 I CA 1.031 62.099 61.300 -0.386 0.000 1.385 854 I CB -0.291 37.313 38.000 -0.659 0.000 1.064 854 I HN 0.347 nan 8.210 nan 0.000 0.414 855 W N 1.250 122.499 121.300 -0.086 0.000 2.402 855 W HA -0.154 4.513 4.660 0.012 0.000 0.286 855 W C 2.505 179.054 176.519 0.050 0.000 1.221 855 W CA 1.194 58.521 57.345 -0.030 0.000 1.257 855 W CB -0.875 28.552 29.460 -0.054 0.000 1.120 855 W HN 0.317 nan 8.180 nan 0.000 0.551 856 E N 0.491 120.867 120.200 0.294 0.000 2.058 856 E HA -0.229 4.128 4.350 0.012 0.000 0.194 856 E C 1.963 178.660 176.600 0.163 0.000 0.997 856 E CA 2.622 59.191 56.400 0.280 0.000 0.801 856 E CB -0.361 29.457 29.700 0.198 0.000 0.746 856 E HN 0.105 nan 8.360 nan 0.000 0.450 857 T N -1.727 112.887 114.554 0.099 0.000 3.139 857 T HA -0.089 4.268 4.350 0.012 0.000 0.267 857 T C 0.863 175.632 174.700 0.114 0.000 1.164 857 T CA 1.033 63.179 62.100 0.076 0.000 1.075 857 T CB -0.126 68.777 68.868 0.059 0.000 0.904 857 T HN 0.243 nan 8.240 nan 0.000 0.540 858 E N 0.047 120.344 120.200 0.161 0.000 2.758 858 E HA 0.274 4.631 4.350 0.012 0.000 0.215 858 E C 0.034 176.732 176.600 0.162 0.000 0.985 858 E CA -0.307 56.191 56.400 0.163 0.000 1.102 858 E CB 0.664 30.487 29.700 0.205 0.000 1.042 858 E HN 0.365 nan 8.360 nan 0.000 0.480 859 S N 0.623 116.436 115.700 0.188 0.000 3.635 859 S HA -0.168 4.309 4.470 0.012 0.000 0.328 859 S C -0.035 174.794 174.600 0.381 0.000 1.135 859 S CA 0.562 58.912 58.200 0.250 0.000 0.942 859 S CB -1.280 62.004 63.200 0.141 0.000 0.930 859 S HN 0.320 nan 8.310 nan 0.000 0.512 860 L N 1.042 122.465 121.223 0.334 0.000 2.346 860 L HA 0.696 5.043 4.340 0.012 0.000 0.274 860 L C -0.283 176.530 176.870 -0.095 0.000 1.007 860 L CA -0.711 54.176 54.840 0.080 0.000 0.818 860 L CB 1.583 43.587 42.059 -0.092 0.000 1.284 860 L HN 0.028 nan 8.230 nan 0.000 0.424 861 D N 2.673 122.858 120.400 -0.358 0.000 2.389 861 D HA 0.215 4.862 4.640 0.012 0.000 0.256 861 D C 0.219 176.390 176.300 -0.215 0.000 1.239 861 D CA -0.386 53.348 54.000 -0.444 0.000 0.925 861 D CB 1.407 41.669 40.800 -0.897 0.000 1.145 861 D HN 0.258 nan 8.370 nan 0.000 0.542 862 L N 2.223 123.318 121.223 -0.213 0.000 2.599 862 L HA 0.098 4.445 4.340 0.012 0.000 0.230 862 L C 0.759 177.580 176.870 -0.081 0.000 1.141 862 L CA 0.270 54.964 54.840 -0.243 0.000 0.877 862 L CB -1.274 40.406 42.059 -0.632 0.000 1.009 862 L HN 0.640 nan 8.230 nan 0.000 0.447 863 C N 0.372 119.637 119.300 -0.057 0.000 4.350 863 C HA -0.187 4.280 4.460 0.012 0.000 0.302 863 C C 1.363 176.398 174.990 0.075 0.000 1.390 863 C CA -0.350 58.666 59.018 -0.004 0.000 2.016 863 C CB -3.056 24.690 27.740 0.010 0.000 1.271 863 C HN 0.310 nan 8.230 nan 0.000 0.760 864 L N -0.188 121.060 121.223 0.042 0.000 2.476 864 L HA 0.443 4.790 4.340 0.012 0.000 0.255 864 L C 0.453 177.433 176.870 0.184 0.000 1.218 864 L CA -0.196 54.677 54.840 0.055 0.000 0.819 864 L CB 0.219 42.214 42.059 -0.107 0.000 1.119 864 L HN 0.221 nan 8.230 nan 0.000 0.485 865 L N 3.093 124.511 121.223 0.324 0.000 2.489 865 L HA 0.432 4.779 4.340 0.012 0.000 0.257 865 L C -2.524 174.431 176.870 0.141 0.000 1.215 865 L CA -1.819 53.099 54.840 0.130 0.000 0.915 865 L CB 0.663 42.672 42.059 -0.084 0.000 1.146 865 L HN 0.186 nan 8.230 nan 0.000 0.494 866 P HA 0.299 nan 4.420 nan 0.000 0.258 866 P C -0.949 176.251 177.300 -0.167 0.000 1.647 866 P CA -0.226 62.811 63.100 -0.105 0.000 1.099 866 P CB -0.295 31.349 31.700 -0.093 0.000 1.604 867 Y N 0.493 120.788 120.300 -0.009 0.000 2.457 867 Y HA 0.482 5.039 4.550 0.012 0.000 0.341 867 Y C 1.092 176.928 175.900 -0.108 0.000 1.240 867 Y CA -1.225 56.824 58.100 -0.086 0.000 1.437 867 Y CB -0.376 38.008 38.460 -0.128 0.000 1.328 867 Y HN 0.368 nan 8.280 nan 0.000 0.588 868 G N 0.584 109.340 108.800 -0.073 0.000 2.353 868 G HA2 0.273 4.240 3.960 0.012 0.000 0.239 868 G HA3 0.273 4.240 3.960 0.012 0.000 0.239 868 G C -1.084 173.654 174.900 -0.270 0.000 1.295 868 G CA -0.008 44.929 45.100 -0.271 0.000 0.884 868 G HN 1.081 nan 8.290 nan 0.000 0.537 869 C N 3.194 122.470 119.300 -0.041 0.000 2.871 869 C HA 0.639 5.106 4.460 0.012 0.000 0.378 869 C C -0.816 174.242 174.990 0.113 0.000 1.052 869 C CA -0.900 58.134 59.018 0.028 0.000 1.250 869 C CB -0.047 27.738 27.740 0.076 0.000 1.689 869 C HN 0.676 nan 8.230 nan 0.000 0.506 870 I N 4.743 125.362 120.570 0.081 0.000 2.534 870 I HA 0.278 4.455 4.170 0.012 0.000 0.286 870 I C 0.149 176.302 176.117 0.060 0.000 1.094 870 I CA 0.044 61.410 61.300 0.109 0.000 1.055 870 I CB 2.020 40.050 38.000 0.049 0.000 1.225 870 I HN 0.659 nan 8.210 nan 0.000 0.435 871 S N 3.195 118.951 115.700 0.093 0.000 2.465 871 S HA 0.114 4.591 4.470 0.012 0.000 0.280 871 S C 1.176 175.853 174.600 0.127 0.000 1.232 871 S CA 0.077 58.323 58.200 0.077 0.000 1.066 871 S CB 0.288 63.520 63.200 0.054 0.000 0.929 871 S HN 0.772 nan 8.310 nan 0.000 0.494 872 T N 1.965 116.599 114.554 0.132 0.000 3.040 872 T HA 0.540 4.897 4.350 0.012 0.000 0.250 872 T C 0.834 175.641 174.700 0.179 0.000 1.058 872 T CA 0.191 62.417 62.100 0.210 0.000 0.988 872 T CB 0.186 69.204 68.868 0.250 0.000 0.993 872 T HN 0.887 nan 8.240 nan 0.000 0.519 873 G N 0.757 109.639 108.800 0.138 0.000 2.340 873 G HA2 0.380 4.347 3.960 0.012 0.000 0.299 873 G HA3 0.380 4.347 3.960 0.012 0.000 0.299 873 G C -2.097 172.868 174.900 0.109 0.000 1.291 873 G CA -0.718 44.456 45.100 0.123 0.000 0.841 873 G HN 0.130 nan 8.290 nan 0.000 0.500 874 D N 0.265 120.732 120.400 0.112 0.000 2.363 874 D HA 0.289 4.936 4.640 0.012 0.000 0.263 874 D C 0.804 177.172 176.300 0.113 0.000 1.258 874 D CA 0.498 54.560 54.000 0.104 0.000 0.907 874 D CB 0.067 40.933 40.800 0.110 0.000 1.107 874 D HN 0.616 nan 8.370 nan 0.000 0.495 875 K N 1.404 121.834 120.400 0.050 0.000 3.209 875 K HA -0.206 4.121 4.320 0.012 0.000 0.289 875 K C -0.209 176.368 176.600 -0.037 0.000 1.191 875 K CA 0.678 56.939 56.287 -0.043 0.000 0.851 875 K CB -1.430 30.986 32.500 -0.141 0.000 1.242 875 K HN 0.642 nan 8.250 nan 0.000 0.480 876 I N -1.478 119.145 120.570 0.087 0.000 2.802 876 I HA 0.670 4.847 4.170 0.012 0.000 0.298 876 I C -0.179 176.009 176.117 0.118 0.000 1.176 876 I CA -0.205 61.186 61.300 0.152 0.000 1.025 876 I CB 2.107 40.270 38.000 0.273 0.000 1.243 876 I HN 0.129 nan 8.210 nan 0.000 0.424 877 G N 6.221 115.072 108.800 0.086 0.000 2.340 877 G HA2 0.360 4.327 3.960 0.012 0.000 0.299 877 G HA3 0.360 4.327 3.960 0.012 0.000 0.299 877 G C -1.653 173.065 174.900 -0.304 0.000 1.291 877 G CA -0.716 44.364 45.100 -0.033 0.000 0.841 877 G HN 0.761 nan 8.290 nan 0.000 0.500 878 M N -0.650 118.703 119.600 -0.412 0.000 2.578 878 M HA 0.899 5.386 4.480 0.012 0.000 0.321 878 M C -1.165 175.003 176.300 -0.220 0.000 1.182 878 M CA -0.859 54.106 55.300 -0.559 0.000 0.965 878 M CB 2.252 34.465 32.600 -0.644 0.000 1.694 878 M HN 0.393 nan 8.290 nan 0.000 0.461 879 I N 0.689 121.143 120.570 -0.193 0.000 2.619 879 I HA 0.320 4.497 4.170 0.012 0.000 0.292 879 I C -0.587 175.369 176.117 -0.269 0.000 1.100 879 I CA -0.656 60.544 61.300 -0.167 0.000 1.043 879 I CB 2.552 40.498 38.000 -0.091 0.000 1.239 879 I HN 0.858 nan 8.210 nan 0.000 0.420 880 E N 5.692 125.602 120.200 -0.484 0.000 2.373 880 E HA 0.301 4.658 4.350 0.012 0.000 0.267 880 E C -1.024 175.423 176.600 -0.254 0.000 1.032 880 E CA -0.331 55.782 56.400 -0.480 0.000 0.889 880 E CB 1.021 30.369 29.700 -0.586 0.000 0.984 880 E HN 0.433 nan 8.360 nan 0.000 0.425 881 I N 5.008 125.461 120.570 -0.194 0.000 2.297 881 I HA 0.092 4.269 4.170 0.012 0.000 0.291 881 I C -0.478 175.559 176.117 -0.133 0.000 1.033 881 I CA -0.747 60.398 61.300 -0.259 0.000 1.253 881 I CB 1.360 39.059 38.000 -0.502 0.000 1.396 881 I HN 0.348 nan 8.210 nan 0.000 0.476 882 V N 7.457 127.322 119.914 -0.081 0.000 2.470 882 V HA 0.080 4.207 4.120 0.012 0.000 0.276 882 V C 0.544 176.677 176.094 0.065 0.000 1.040 882 V CA -0.442 61.850 62.300 -0.013 0.000 1.008 882 V CB 0.680 32.486 31.823 -0.029 0.000 0.990 882 V HN 0.546 nan 8.190 nan 0.000 0.477 883 K N 3.264 123.707 120.400 0.071 0.000 2.355 883 K HA 0.126 4.453 4.320 0.012 0.000 0.270 883 K C 0.425 177.123 176.600 0.163 0.000 1.003 883 K CA 0.275 56.631 56.287 0.115 0.000 0.957 883 K CB -0.110 32.447 32.500 0.096 0.000 0.939 883 K HN 0.700 nan 8.250 nan 0.000 0.482 884 D N -0.172 120.343 120.400 0.192 0.000 2.697 884 D HA -0.217 4.430 4.640 0.012 0.000 0.238 884 D C -1.114 175.359 176.300 0.289 0.000 1.152 884 D CA 1.332 55.463 54.000 0.219 0.000 0.666 884 D CB -0.799 40.101 40.800 0.167 0.000 1.037 884 D HN 0.524 nan 8.370 nan 0.000 0.423 885 A N -0.127 122.869 122.820 0.293 0.000 2.414 885 A HA 0.809 5.136 4.320 0.012 0.000 0.306 885 A C 0.222 177.925 177.584 0.198 0.000 1.054 885 A CA -0.315 51.897 52.037 0.292 0.000 0.724 885 A CB 2.016 21.226 19.000 0.351 0.000 1.267 885 A HN 0.019 nan 8.150 nan 0.000 0.418 886 T N 0.302 114.891 114.554 0.059 0.000 2.865 886 T HA 0.554 4.911 4.350 0.012 0.000 0.294 886 T C -0.151 174.412 174.700 -0.229 0.000 1.119 886 T CA -0.422 61.639 62.100 -0.064 0.000 1.007 886 T CB 1.606 70.420 68.868 -0.090 0.000 1.225 886 T HN 0.575 nan 8.240 nan 0.000 0.515 887 T N 1.288 115.707 114.554 -0.226 0.000 2.897 887 T HA 0.278 4.635 4.350 0.012 0.000 0.294 887 T C 1.562 176.084 174.700 -0.296 0.000 1.004 887 T CA -0.261 61.675 62.100 -0.272 0.000 1.106 887 T CB 0.282 69.023 68.868 -0.211 0.000 0.949 887 T HN 0.400 nan 8.240 nan 0.000 0.520 888 I N 2.524 122.927 120.570 -0.279 0.000 2.454 888 I HA -0.116 4.061 4.170 0.012 0.000 0.254 888 I C 2.401 178.426 176.117 -0.153 0.000 1.156 888 I CA 0.978 62.155 61.300 -0.205 0.000 1.433 888 I CB -0.266 37.700 38.000 -0.057 0.000 1.082 888 I HN 0.781 nan 8.210 nan 0.000 0.432 889 A N 0.081 122.799 122.820 -0.171 0.000 1.897 889 A HA -0.209 4.118 4.320 0.012 0.000 0.215 889 A C 2.323 179.865 177.584 -0.070 0.000 1.181 889 A CA 1.524 53.502 52.037 -0.099 0.000 0.620 889 A CB -0.422 18.487 19.000 -0.152 0.000 0.821 889 A HN 0.249 nan 8.150 nan 0.000 0.443 890 K N -0.248 120.081 120.400 -0.118 0.000 2.063 890 K HA -0.063 4.264 4.320 0.012 0.000 0.208 890 K C 1.710 178.249 176.600 -0.102 0.000 1.048 890 K CA 1.537 57.764 56.287 -0.099 0.000 0.928 890 K CB -0.347 32.087 32.500 -0.110 0.000 0.713 890 K HN 0.557 nan 8.250 nan 0.000 0.442 891 I N 0.685 121.141 120.570 -0.191 0.000 2.179 891 I HA -0.337 3.840 4.170 0.012 0.000 0.242 891 I C 2.458 178.536 176.117 -0.066 0.000 1.088 891 I CA 1.131 62.300 61.300 -0.219 0.000 1.357 891 I CB -0.270 37.452 38.000 -0.464 0.000 1.051 891 I HN 0.273 nan 8.210 nan 0.000 0.409 892 Q N 0.573 120.353 119.800 -0.033 0.000 2.030 892 Q HA -0.261 4.086 4.340 0.012 0.000 0.204 892 Q C 2.197 178.216 176.000 0.032 0.000 0.986 892 Q CA 1.775 57.600 55.803 0.037 0.000 0.843 892 Q CB -0.469 28.350 28.738 0.134 0.000 0.904 892 Q HN 0.615 nan 8.270 nan 0.000 0.420 893 Q N -0.080 119.733 119.800 0.021 0.000 2.135 893 Q HA -0.105 4.242 4.340 0.012 0.000 0.204 893 Q C 2.150 178.148 176.000 -0.003 0.000 0.981 893 Q CA 1.459 57.263 55.803 0.003 0.000 0.856 893 Q CB -0.100 28.630 28.738 -0.013 0.000 0.902 893 Q HN 0.210 nan 8.270 nan 0.000 0.425 894 S N -0.255 115.449 115.700 0.006 0.000 2.469 894 S HA -0.105 4.372 4.470 0.012 0.000 0.238 894 S C 1.680 176.301 174.600 0.035 0.000 0.998 894 S CA 1.378 59.594 58.200 0.026 0.000 0.957 894 S CB -0.053 63.186 63.200 0.064 0.000 0.764 894 S HN 0.404 nan 8.310 nan 0.000 0.514 895 T N 0.811 115.383 114.554 0.031 0.000 3.087 895 T HA 0.221 4.578 4.350 0.012 0.000 0.237 895 T C 0.908 175.610 174.700 0.003 0.000 0.990 895 T CA 0.251 62.370 62.100 0.031 0.000 1.160 895 T CB 0.142 69.039 68.868 0.048 0.000 0.923 895 T HN 0.099 nan 8.240 nan 0.000 0.442 896 V N 0.895 120.801 119.914 -0.013 0.000 3.513 896 V HA 0.662 4.789 4.120 0.012 0.000 0.297 896 V C 1.563 177.630 176.094 -0.044 0.000 1.058 896 V CA -0.967 61.308 62.300 -0.041 0.000 1.003 896 V CB 0.057 31.836 31.823 -0.073 0.000 1.236 896 V HN 0.499 nan 8.190 nan 0.000 0.436 897 G N 0.792 109.554 108.800 -0.064 0.000 2.714 897 G HA2 -0.055 3.912 3.960 0.012 0.000 0.278 897 G HA3 -0.055 3.912 3.960 0.012 0.000 0.278 897 G C 0.708 175.578 174.900 -0.050 0.000 1.288 897 G CA 0.301 45.366 45.100 -0.058 0.000 1.027 897 G HN 0.819 nan 8.290 nan 0.000 0.607 898 N N -0.546 118.125 118.700 -0.047 0.000 2.093 898 N HA -0.100 4.647 4.740 0.012 0.000 0.191 898 N C 2.022 177.513 175.510 -0.032 0.000 1.062 898 N CA 1.886 54.908 53.050 -0.046 0.000 0.854 898 N CB -1.116 37.339 38.487 -0.054 0.000 1.043 898 N HN 0.413 nan 8.380 nan 0.000 0.438 899 T N 0.835 115.376 114.554 -0.023 0.000 3.160 899 T HA 0.127 4.484 4.350 0.012 0.000 0.257 899 T C 1.237 175.922 174.700 -0.025 0.000 1.147 899 T CA 0.262 62.375 62.100 0.022 0.000 1.064 899 T CB -0.724 68.169 68.868 0.041 0.000 0.949 899 T HN 0.434 nan 8.240 nan 0.000 0.526 903 K N 2.502 122.757 120.400 -0.242 0.000 2.206 903 K HA 0.296 4.623 4.320 0.012 0.000 0.264 903 K C -0.423 176.166 176.600 -0.019 0.000 0.967 903 K CA -0.880 55.327 56.287 -0.134 0.000 0.844 903 K CB 1.934 34.371 32.500 -0.105 0.000 1.099 903 K HN 0.445 nan 8.250 nan 0.000 0.441 904 D N 2.090 122.517 120.400 0.046 0.000 2.178 904 D HA -0.140 4.507 4.640 0.012 0.000 0.201 904 D C 0.656 176.744 176.300 -0.353 0.000 0.980 904 D CA 1.512 55.562 54.000 0.083 0.000 0.842 904 D CB 0.272 41.154 40.800 0.135 0.000 0.948 904 D HN 0.570 nan 8.370 nan 0.000 0.472 905 E N -0.141 119.617 120.200 -0.738 0.000 2.479 905 E HA 0.038 4.395 4.350 0.012 0.000 0.193 905 E C 2.008 178.068 176.600 -0.900 0.000 1.049 905 E CA -0.105 55.508 56.400 -1.312 0.000 0.870 905 E CB 0.331 29.134 29.700 -1.494 0.000 0.944 905 E HN 0.038 nan 8.360 nan 0.000 0.492 906 V N 1.140 120.801 119.914 -0.422 0.000 2.282 906 V HA -0.308 3.819 4.120 0.012 0.000 0.249 906 V C 2.213 178.300 176.094 -0.012 0.000 1.057 906 V CA 1.659 63.866 62.300 -0.155 0.000 1.032 906 V CB -0.514 31.291 31.823 -0.031 0.000 0.645 906 V HN 0.362 nan 8.190 nan 0.000 0.447 907 L N 0.102 121.326 121.223 0.002 0.000 2.005 907 L HA -0.202 4.145 4.340 0.012 0.000 0.207 907 L C 2.626 179.597 176.870 0.169 0.000 1.072 907 L CA 2.055 56.940 54.840 0.075 0.000 0.744 907 L CB -0.579 41.496 42.059 0.026 0.000 0.895 907 L HN 0.501 nan 8.230 nan 0.000 0.433 908 N N -0.726 118.055 118.700 0.136 0.000 2.104 908 N HA -0.260 4.487 4.740 0.012 0.000 0.190 908 N C 1.728 177.430 175.510 0.321 0.000 1.024 908 N CA 1.664 54.884 53.050 0.284 0.000 0.853 908 N CB -0.135 38.647 38.487 0.492 0.000 1.008 908 N HN 0.536 nan 8.380 nan 0.000 0.424 909 H N -1.775 117.397 119.070 0.170 0.000 2.319 909 H HA -0.178 4.385 4.556 0.012 0.000 0.299 909 H C 1.769 177.169 175.328 0.119 0.000 1.092 909 H CA 1.453 57.559 56.048 0.097 0.000 1.302 909 H CB -0.228 29.573 29.762 0.064 0.000 1.373 909 H HN 0.418 nan 8.280 nan 0.000 0.497 910 W N 1.690 123.070 121.300 0.134 0.000 2.335 910 W HA -0.203 4.464 4.660 0.012 0.000 0.311 910 W C 1.975 178.541 176.519 0.078 0.000 1.213 910 W CA 1.431 58.823 57.345 0.079 0.000 1.274 910 W CB -0.472 29.023 29.460 0.058 0.000 1.148 910 W HN 0.054 nan 8.180 nan 0.000 0.498 911 L N 0.612 122.065 121.223 0.382 0.000 2.083 911 L HA -0.213 4.134 4.340 0.012 0.000 0.209 911 L C 2.470 179.409 176.870 0.115 0.000 1.083 911 L CA 1.549 56.546 54.840 0.262 0.000 0.752 911 L CB -0.868 41.472 42.059 0.469 0.000 0.899 911 L HN -0.083 nan 8.230 nan 0.000 0.433 912 K N 0.861 121.218 120.400 -0.071 0.000 2.103 912 K HA -0.191 4.136 4.320 0.012 0.000 0.204 912 K C 1.948 178.354 176.600 -0.323 0.000 1.052 912 K CA 1.570 57.511 56.287 -0.576 0.000 0.945 912 K CB -0.123 31.905 32.500 -0.787 0.000 0.722 912 K HN 0.503 nan 8.250 nan 0.000 0.443 913 E N -0.294 119.765 120.200 -0.235 0.000 2.208 913 E HA -0.144 4.213 4.350 0.012 0.000 0.193 913 E C 1.023 177.458 176.600 -0.274 0.000 0.988 913 E CA 0.797 57.060 56.400 -0.229 0.000 0.828 913 E CB -0.023 29.565 29.700 -0.186 0.000 0.763 913 E HN 0.036 nan 8.360 nan 0.000 0.478 914 K N 0.918 121.084 120.400 -0.390 0.000 2.459 914 K HA 0.166 4.493 4.320 0.012 0.000 0.193 914 K C 0.331 176.813 176.600 -0.197 0.000 1.030 914 K CA 0.095 56.143 56.287 -0.399 0.000 1.026 914 K CB 0.471 32.524 32.500 -0.745 0.000 0.809 914 K HN -0.027 nan 8.250 nan 0.000 0.504 915 S N 2.284 117.917 115.700 -0.111 0.000 2.523 915 S HA 0.166 4.643 4.470 0.012 0.000 0.275 915 S C -1.700 172.886 174.600 -0.024 0.000 1.281 915 S CA -1.053 57.144 58.200 -0.004 0.000 1.050 915 S CB 1.430 64.715 63.200 0.141 0.000 0.937 915 S HN -0.010 nan 8.310 nan 0.000 0.492 916 P HA 0.035 nan 4.420 nan 0.000 0.222 916 P C 0.484 177.786 177.300 0.003 0.000 1.153 916 P CA 0.717 63.812 63.100 -0.009 0.000 0.798 916 P CB 0.196 31.896 31.700 -0.000 0.000 0.796 917 T N -5.529 109.042 114.554 0.029 0.000 2.816 917 T HA 0.317 4.674 4.350 0.012 0.000 0.299 917 T C 0.678 175.429 174.700 0.084 0.000 1.230 917 T CA -0.714 61.410 62.100 0.040 0.000 1.007 917 T CB 1.623 70.513 68.868 0.038 0.000 1.289 917 T HN -0.334 nan 8.240 nan 0.000 0.508 918 E N 0.361 120.614 120.200 0.088 0.000 2.150 918 E HA -0.120 4.237 4.350 0.012 0.000 0.193 918 E C 1.723 178.422 176.600 0.165 0.000 0.985 918 E CA 1.167 57.660 56.400 0.156 0.000 0.814 918 E CB -0.062 29.710 29.700 0.121 0.000 0.752 918 E HN 0.878 nan 8.360 nan 0.000 0.466 919 E N 1.161 121.421 120.200 0.100 0.000 2.023 919 E HA -0.223 4.134 4.350 0.012 0.000 0.196 919 E C 1.838 178.484 176.600 0.076 0.000 1.003 919 E CA 1.329 57.773 56.400 0.073 0.000 0.809 919 E CB 0.048 29.777 29.700 0.049 0.000 0.755 919 E HN 0.068 nan 8.360 nan 0.000 0.449 920 K N -0.341 120.109 120.400 0.083 0.000 2.103 920 K HA -0.173 4.154 4.320 0.012 0.000 0.207 920 K C 2.029 178.702 176.600 0.121 0.000 1.048 920 K CA 1.446 57.781 56.287 0.081 0.000 0.930 920 K CB -0.341 32.201 32.500 0.070 0.000 0.716 920 K HN 0.174 nan 8.250 nan 0.000 0.444 921 F N 2.046 122.004 119.950 0.014 0.000 2.186 921 F HA -0.173 4.361 4.527 0.012 0.000 0.299 921 F C 2.141 177.963 175.800 0.035 0.000 1.090 921 F CA 1.370 59.383 58.000 0.020 0.000 1.307 921 F CB -0.033 38.978 39.000 0.019 0.000 1.019 921 F HN -0.025 nan 8.300 nan 0.000 0.489 922 Q N 0.469 120.205 119.800 -0.107 0.000 2.119 922 Q HA -0.039 4.308 4.340 0.012 0.000 0.201 922 Q C 2.525 178.435 176.000 -0.150 0.000 0.972 922 Q CA 1.412 57.098 55.803 -0.195 0.000 0.847 922 Q CB -1.061 27.669 28.738 -0.013 0.000 0.903 922 Q HN 0.508 nan 8.270 nan 0.000 0.433 923 A N 0.956 123.736 122.820 -0.067 0.000 1.902 923 A HA -0.084 4.243 4.320 0.012 0.000 0.217 923 A C 2.307 179.858 177.584 -0.054 0.000 1.181 923 A CA 1.870 53.880 52.037 -0.045 0.000 0.623 923 A CB -0.662 18.327 19.000 -0.017 0.000 0.818 923 A HN 0.350 nan 8.150 nan 0.000 0.443 924 A N -0.583 122.202 122.820 -0.060 0.000 1.933 924 A HA -0.008 4.319 4.320 0.012 0.000 0.218 924 A C 2.201 179.758 177.584 -0.047 0.000 1.175 924 A CA 1.834 53.862 52.037 -0.015 0.000 0.628 924 A CB -0.819 18.207 19.000 0.043 0.000 0.814 924 A HN 0.399 nan 8.150 nan 0.000 0.444 925 V N -0.095 119.676 119.914 -0.239 0.000 2.453 925 V HA -0.229 3.898 4.120 0.012 0.000 0.247 925 V C 2.502 178.541 176.094 -0.091 0.000 1.048 925 V CA 2.261 64.412 62.300 -0.249 0.000 1.049 925 V CB -0.672 30.831 31.823 -0.533 0.000 0.672 925 V HN 0.820 nan 8.190 nan 0.000 0.457 926 E N 0.944 121.101 120.200 -0.072 0.000 2.031 926 E HA -0.283 4.074 4.350 0.012 0.000 0.193 926 E C 2.391 179.067 176.600 0.126 0.000 0.994 926 E CA 1.815 58.250 56.400 0.058 0.000 0.800 926 E CB -0.316 29.403 29.700 0.032 0.000 0.752 926 E HN 0.443 nan 8.360 nan 0.000 0.447 927 R N -0.819 119.711 120.500 0.050 0.000 2.105 927 R HA -0.179 4.168 4.340 0.012 0.000 0.239 927 R C 2.242 178.630 176.300 0.147 0.000 1.135 927 R CA 1.592 57.728 56.100 0.060 0.000 0.967 927 R CB -0.473 29.854 30.300 0.045 0.000 0.861 927 R HN 0.359 nan 8.270 nan 0.000 0.442 928 F N 0.292 120.259 119.950 0.029 0.000 2.186 928 F HA -0.139 4.395 4.527 0.012 0.000 0.299 928 F C 1.778 177.612 175.800 0.057 0.000 1.090 928 F CA 1.192 59.205 58.000 0.021 0.000 1.307 928 F CB -0.194 38.782 39.000 -0.040 0.000 1.019 928 F HN -0.197 nan 8.300 nan 0.000 0.489 929 V N -0.247 119.722 119.914 0.093 0.000 2.261 929 V HA -0.325 3.802 4.120 0.012 0.000 0.246 929 V C 2.127 178.215 176.094 -0.010 0.000 1.047 929 V CA 2.181 64.512 62.300 0.052 0.000 1.015 929 V CB -1.072 30.852 31.823 0.169 0.000 0.642 929 V HN 0.347 nan 8.190 nan 0.000 0.446 930 Y N 1.513 121.761 120.300 -0.086 0.000 2.128 930 Y HA -0.257 4.300 4.550 0.012 0.000 0.284 930 Y C 2.974 178.780 175.900 -0.156 0.000 1.154 930 Y CA 1.973 59.989 58.100 -0.140 0.000 1.149 930 Y CB -0.864 37.512 38.460 -0.140 0.000 0.976 930 Y HN 0.417 nan 8.280 nan 0.000 0.505 931 S N -1.759 113.972 115.700 0.052 0.000 2.402 931 S HA -0.233 4.244 4.470 0.012 0.000 0.229 931 S C 2.189 176.829 174.600 0.067 0.000 1.021 931 S CA 0.998 59.250 58.200 0.087 0.000 0.974 931 S CB -1.334 61.971 63.200 0.175 0.000 0.800 931 S HN 0.587 nan 8.310 nan 0.000 0.484 932 C N 1.952 121.136 119.300 -0.194 0.000 2.446 932 C HA 0.214 4.681 4.460 0.012 0.000 0.277 932 C C 3.138 178.180 174.990 0.087 0.000 1.275 932 C CA 0.832 59.742 59.018 -0.180 0.000 1.727 932 C CB -1.687 25.680 27.740 -0.622 0.000 2.010 932 C HN 0.701 nan 8.230 nan 0.000 0.486 933 A N 0.456 123.294 122.820 0.031 0.000 1.873 933 A HA 0.102 4.429 4.320 0.012 0.000 0.215 933 A C 2.488 179.904 177.584 -0.280 0.000 1.186 933 A CA 2.112 54.036 52.037 -0.189 0.000 0.616 933 A CB -1.579 17.117 19.000 -0.507 0.000 0.823 933 A HN 0.666 nan 8.150 nan 0.000 0.442 934 G N -1.586 107.035 108.800 -0.298 0.000 2.476 934 G HA2 -0.270 3.697 3.960 0.012 0.000 0.218 934 G HA3 -0.270 3.697 3.960 0.012 0.000 0.218 934 G C 1.486 176.270 174.900 -0.193 0.000 1.164 934 G CA 1.311 46.205 45.100 -0.343 0.000 0.768 934 G HN 0.571 nan 8.290 nan 0.000 0.560 935 Y N 0.023 120.326 120.300 0.004 0.000 2.293 935 Y HA -0.078 4.479 4.550 0.012 0.000 0.291 935 Y C 3.092 178.972 175.900 -0.032 0.000 1.137 935 Y CA 0.733 58.831 58.100 -0.003 0.000 1.202 935 Y CB -0.230 38.239 38.460 0.015 0.000 0.990 935 Y HN 0.231 nan 8.280 nan 0.000 0.537 936 C N -1.391 117.936 119.300 0.044 0.000 2.440 936 C HA -0.101 4.366 4.460 0.012 0.000 0.278 936 C C 2.676 177.593 174.990 -0.123 0.000 1.295 936 C CA 0.669 59.564 59.018 -0.206 0.000 1.738 936 C CB -1.006 26.364 27.740 -0.617 0.000 1.987 936 C HN 0.333 nan 8.230 nan 0.000 0.492 937 V N 1.365 121.247 119.914 -0.053 0.000 2.283 937 V HA -0.130 3.997 4.120 0.012 0.000 0.243 937 V C 2.765 179.035 176.094 0.293 0.000 1.039 937 V CA 2.123 64.495 62.300 0.119 0.000 1.016 937 V CB -1.389 30.392 31.823 -0.070 0.000 0.650 937 V HN 0.538 nan 8.190 nan 0.000 0.449 938 A N -0.599 122.353 122.820 0.219 0.000 1.892 938 A HA -0.322 4.005 4.320 0.012 0.000 0.218 938 A C 2.455 180.130 177.584 0.153 0.000 1.188 938 A CA 2.908 55.026 52.037 0.135 0.000 0.631 938 A CB -1.150 17.854 19.000 0.006 0.000 0.822 938 A HN 0.465 nan 8.150 nan 0.000 0.447 939 T N -2.013 112.649 114.554 0.181 0.000 2.867 939 T HA -0.089 4.268 4.350 0.012 0.000 0.268 939 T C 1.537 176.441 174.700 0.339 0.000 1.057 939 T CA 1.517 63.748 62.100 0.219 0.000 1.136 939 T CB -0.387 68.576 68.868 0.157 0.000 0.874 939 T HN 0.441 nan 8.240 nan 0.000 0.466 940 F N 1.294 121.420 119.950 0.293 0.000 2.113 940 F HA 0.011 4.544 4.527 0.011 0.000 0.297 940 F C 2.156 178.201 175.800 0.408 0.000 1.103 940 F CA 0.896 59.138 58.000 0.403 0.000 1.248 940 F CB -0.668 38.621 39.000 0.482 0.000 0.999 940 F HN -0.045 nan 8.300 nan 0.000 0.475 941 V N 0.934 121.014 119.914 0.277 0.000 2.343 941 V HA -0.290 3.837 4.120 0.012 0.000 0.247 941 V C 2.327 178.420 176.094 -0.001 0.000 1.051 941 V CA 1.885 64.236 62.300 0.085 0.000 1.036 941 V CB -0.718 31.198 31.823 0.155 0.000 0.654 941 V HN 0.358 nan 8.190 nan 0.000 0.451 942 L N 0.397 121.643 121.223 0.039 0.000 2.610 942 L HA 0.223 4.570 4.340 0.012 0.000 0.232 942 L C 1.639 178.507 176.870 -0.004 0.000 1.149 942 L CA 0.744 55.609 54.840 0.041 0.000 0.872 942 L CB -0.755 41.370 42.059 0.109 0.000 0.992 942 L HN 0.562 nan 8.230 nan 0.000 0.447 943 G N 1.837 110.541 108.800 -0.160 0.000 2.249 943 G HA2 -0.294 3.673 3.960 0.012 0.000 0.273 943 G HA3 -0.294 3.673 3.960 0.012 0.000 0.273 943 G C 0.526 175.318 174.900 -0.180 0.000 1.036 943 G CA 0.638 45.361 45.100 -0.629 0.000 0.824 943 G HN 0.640 nan 8.290 nan 0.000 0.504 944 I N -3.873 116.735 120.570 0.063 0.000 3.426 944 I HA 0.536 4.713 4.170 0.012 0.000 0.329 944 I C 1.397 177.674 176.117 0.266 0.000 1.553 944 I CA -0.001 61.399 61.300 0.167 0.000 1.019 944 I CB 0.234 38.371 38.000 0.228 0.000 1.376 944 I HN 0.011 nan 8.210 nan 0.000 0.525 945 G N 0.582 109.563 108.800 0.301 0.000 2.448 945 G HA2 -0.160 3.807 3.960 0.012 0.000 0.218 945 G HA3 -0.160 3.807 3.960 0.012 0.000 0.218 945 G C 0.538 175.667 174.900 0.382 0.000 1.135 945 G CA 0.335 45.685 45.100 0.416 0.000 0.784 945 G HN 0.417 nan 8.290 nan 0.000 0.543 946 D N 1.241 121.825 120.400 0.307 0.000 2.455 946 D HA 0.148 4.795 4.640 0.012 0.000 0.234 946 D C 0.163 176.580 176.300 0.196 0.000 1.224 946 D CA 0.009 54.201 54.000 0.320 0.000 0.999 946 D CB 0.023 41.050 40.800 0.377 0.000 1.072 946 D HN 0.047 nan 8.370 nan 0.000 0.514 947 R N 1.756 122.300 120.500 0.074 0.000 2.778 947 R HA 0.261 4.608 4.340 0.012 0.000 0.277 947 R C -0.105 175.958 176.300 -0.395 0.000 0.977 947 R CA -0.972 54.974 56.100 -0.257 0.000 0.950 947 R CB 1.052 31.268 30.300 -0.139 0.000 1.165 947 R HN 0.432 nan 8.270 nan 0.000 0.474 948 H N 1.376 119.952 119.070 -0.823 0.000 2.652 948 H HA 0.107 4.670 4.556 0.012 0.000 0.349 948 H C 1.001 176.141 175.328 -0.313 0.000 1.099 948 H CA 0.118 55.829 56.048 -0.561 0.000 1.417 948 H CB 0.695 30.104 29.762 -0.588 0.000 1.457 948 H HN 0.404 nan 8.280 nan 0.000 0.568 949 N N 2.657 121.071 118.700 -0.477 0.000 2.182 949 N HA -0.218 4.529 4.740 0.012 0.000 0.192 949 N C 0.858 176.044 175.510 -0.540 0.000 1.007 949 N CA 1.643 54.422 53.050 -0.451 0.000 0.873 949 N CB -0.111 38.178 38.487 -0.330 0.000 0.998 949 N HN 0.751 nan 8.380 nan 0.000 0.436 950 D N -0.535 119.350 120.400 -0.857 0.000 2.363 950 D HA 0.050 4.697 4.640 0.012 0.000 0.220 950 D C 0.220 176.295 176.300 -0.375 0.000 0.994 950 D CA 0.539 54.231 54.000 -0.512 0.000 0.890 950 D CB -0.182 40.364 40.800 -0.422 0.000 0.906 950 D HN 0.355 nan 8.370 nan 0.000 0.530 951 N N -0.729 117.723 118.700 -0.413 0.000 2.273 951 N HA 0.250 4.997 4.740 0.012 0.000 0.231 951 N C -0.646 174.580 175.510 -0.473 0.000 1.134 951 N CA -0.043 52.779 53.050 -0.381 0.000 0.856 951 N CB 1.033 39.314 38.487 -0.343 0.000 1.068 951 N HN 0.121 nan 8.380 nan 0.000 0.510 952 I N 0.867 121.148 120.570 -0.481 0.000 2.534 952 I HA 0.355 4.532 4.170 0.012 0.000 0.288 952 I C -0.711 175.097 176.117 -0.515 0.000 1.077 952 I CA -0.529 60.445 61.300 -0.544 0.000 1.051 952 I CB 1.861 39.592 38.000 -0.449 0.000 1.234 952 I HN -0.146 nan 8.210 nan 0.000 0.425 953 M N 5.837 124.987 119.600 -0.750 0.000 2.821 953 M HA 0.657 5.144 4.480 0.012 0.000 0.304 953 M C -0.997 174.947 176.300 -0.594 0.000 1.233 953 M CA -0.853 53.989 55.300 -0.763 0.000 0.851 953 M CB 3.259 35.200 32.600 -1.098 0.000 1.723 953 M HN 0.478 nan 8.290 nan 0.000 0.493 954 I N 0.264 120.650 120.570 -0.307 0.000 2.722 954 I HA 0.443 4.620 4.170 0.012 0.000 0.295 954 I C -0.494 175.741 176.117 0.196 0.000 1.161 954 I CA -0.333 60.957 61.300 -0.016 0.000 1.032 954 I CB 2.469 40.422 38.000 -0.078 0.000 1.244 954 I HN 0.855 nan 8.210 nan 0.000 0.421 955 T N 1.317 116.089 114.554 0.364 0.000 2.874 955 T HA 0.351 4.708 4.350 0.012 0.000 0.281 955 T C 0.713 175.697 174.700 0.473 0.000 0.994 955 T CA -0.512 61.825 62.100 0.394 0.000 1.015 955 T CB 1.407 70.457 68.868 0.302 0.000 1.028 955 T HN 0.687 nan 8.240 nan 0.000 0.523 956 E N -0.167 120.282 120.200 0.416 0.000 2.338 956 E HA -0.080 4.277 4.350 0.012 0.000 0.197 956 E C 1.568 178.274 176.600 0.177 0.000 1.007 956 E CA 0.872 57.419 56.400 0.245 0.000 0.849 956 E CB -0.082 29.644 29.700 0.044 0.000 0.774 956 E HN 0.753 nan 8.360 nan 0.000 0.506 957 T N -1.070 113.598 114.554 0.190 0.000 3.219 957 T HA 0.196 4.553 4.350 0.012 0.000 0.249 957 T C 1.147 175.946 174.700 0.165 0.000 1.099 957 T CA 0.757 62.942 62.100 0.141 0.000 0.988 957 T CB -0.152 68.777 68.868 0.102 0.000 0.999 957 T HN 0.382 nan 8.240 nan 0.000 0.550 958 G N 1.556 110.502 108.800 0.243 0.000 2.175 958 G HA2 -0.225 3.742 3.960 0.012 0.000 0.244 958 G HA3 -0.225 3.742 3.960 0.012 0.000 0.244 958 G C 0.131 175.203 174.900 0.287 0.000 0.982 958 G CA -0.066 45.192 45.100 0.263 0.000 0.641 958 G HN 0.570 nan 8.290 nan 0.000 0.527 959 N N 0.884 119.738 118.700 0.256 0.000 2.399 959 N HA 0.358 5.105 4.740 0.012 0.000 0.259 959 N C 0.441 176.151 175.510 0.334 0.000 1.160 959 N CA -0.052 53.153 53.050 0.258 0.000 0.946 959 N CB 0.578 39.193 38.487 0.215 0.000 1.156 959 N HN 0.529 nan 8.380 nan 0.000 0.489 960 L N 4.635 126.008 121.223 0.249 0.000 2.436 960 L HA 0.483 4.830 4.340 0.012 0.000 0.265 960 L C -0.636 176.369 176.870 0.224 0.000 1.168 960 L CA -0.245 54.684 54.840 0.148 0.000 0.815 960 L CB 0.246 42.267 42.059 -0.065 0.000 1.109 960 L HN 0.524 nan 8.230 nan 0.000 0.462 961 F N 0.684 120.465 119.950 -0.283 0.000 2.680 961 F HA 0.384 4.918 4.527 0.011 0.000 0.315 961 F C -1.184 174.387 175.800 -0.382 0.000 1.099 961 F CA -0.999 56.600 58.000 -0.669 0.000 1.033 961 F CB 0.519 39.446 39.000 -0.122 0.000 1.285 961 F HN 0.431 nan 8.300 nan 0.000 0.457 962 H N 3.558 122.313 119.070 -0.526 0.000 2.547 962 H HA 0.793 5.357 4.556 0.012 0.000 0.362 962 H C -0.067 175.247 175.328 -0.024 0.000 1.181 962 H CA 0.094 56.038 56.048 -0.174 0.000 1.376 962 H CB 2.164 32.009 29.762 0.138 0.000 1.488 962 H HN 0.776 nan 8.280 nan 0.000 0.583 963 I N -2.590 117.799 120.570 -0.302 0.000 3.467 963 I HA 0.260 4.437 4.170 0.012 0.000 0.314 963 I C -0.877 174.797 176.117 -0.737 0.000 1.177 963 I CA -1.162 59.924 61.300 -0.357 0.000 0.943 963 I CB 1.881 39.732 38.000 -0.248 0.000 1.338 963 I HN 0.398 nan 8.210 nan 0.000 0.482 964 D N 1.373 121.502 120.400 -0.451 0.000 2.802 964 D HA -0.219 4.428 4.640 0.012 0.000 0.229 964 D C 0.161 176.233 176.300 -0.380 0.000 1.203 964 D CA 1.006 54.813 54.000 -0.321 0.000 0.712 964 D CB -1.234 39.436 40.800 -0.217 0.000 0.973 964 D HN 0.559 nan 8.370 nan 0.000 0.407 965 F N -0.014 119.987 119.950 0.084 0.000 2.802 965 F HA 0.119 4.653 4.527 0.012 0.000 0.300 965 F C 2.626 178.432 175.800 0.010 0.000 1.168 965 F CA 0.274 58.307 58.000 0.055 0.000 1.433 965 F CB -0.165 38.868 39.000 0.054 0.000 1.115 965 F HN 0.317 nan 8.300 nan 0.000 0.582 966 G N -0.238 108.616 108.800 0.090 0.000 2.984 966 G HA2 -0.318 3.649 3.960 0.012 0.000 0.239 966 G HA3 -0.318 3.649 3.960 0.012 0.000 0.239 966 G C 0.549 175.479 174.900 0.050 0.000 1.090 966 G CA 2.148 47.277 45.100 0.048 0.000 0.731 966 G HN 0.469 nan 8.290 nan 0.000 0.659 982 R N 0.341 120.836 120.500 -0.008 0.000 2.855 982 R HA 0.767 5.114 4.340 0.012 0.000 0.266 982 R C -1.231 175.085 176.300 0.026 0.000 1.034 982 R CA -1.035 55.081 56.100 0.027 0.000 0.944 982 R CB 1.736 32.067 30.300 0.050 0.000 1.219 982 R HN 0.318 nan 8.270 nan 0.000 0.474 983 V N 2.380 122.329 119.914 0.058 0.000 2.971 983 V HA 0.376 4.503 4.120 0.012 0.000 0.309 983 V C -1.638 174.459 176.094 0.006 0.000 1.130 983 V CA -2.072 60.215 62.300 -0.022 0.000 0.964 983 V CB 2.712 34.521 31.823 -0.025 0.000 1.029 983 V HN 0.616 nan 8.190 nan 0.000 0.427 984 P HA 0.004 nan 4.420 nan 0.000 0.219 984 P C -0.107 177.352 177.300 0.266 0.000 1.150 984 P CA 1.403 64.516 63.100 0.023 0.000 0.814 984 P CB 0.069 31.518 31.700 -0.419 0.000 0.787 985 F N -4.147 115.910 119.950 0.178 0.000 3.122 985 F HA 0.512 5.046 4.527 0.011 0.000 0.325 985 F C -1.424 174.478 175.800 0.170 0.000 1.162 985 F CA -1.640 56.498 58.000 0.231 0.000 0.876 985 F CB 0.396 39.553 39.000 0.262 0.000 1.429 985 F HN -0.482 nan 8.300 nan 0.000 0.484 986 V N 2.135 122.362 119.914 0.522 0.000 2.333 986 V HA 0.618 4.745 4.120 0.012 0.000 0.274 986 V C -1.030 175.218 176.094 0.257 0.000 1.028 986 V CA -0.281 62.168 62.300 0.248 0.000 0.851 986 V CB 1.048 32.990 31.823 0.198 0.000 1.000 986 V HN 0.680 nan 8.190 nan 0.000 0.456 987 L N 6.443 127.665 121.223 -0.002 0.000 2.440 987 L HA 0.452 4.799 4.340 0.012 0.000 0.261 987 L C 0.324 176.987 176.870 -0.346 0.000 1.382 987 L CA 0.130 54.964 54.840 -0.010 0.000 0.871 987 L CB 1.337 43.565 42.059 0.283 0.000 1.052 987 L HN 0.722 nan 8.230 nan 0.000 0.509 988 T N -0.090 113.975 114.554 -0.815 0.000 2.874 988 T HA 0.480 4.837 4.350 0.012 0.000 0.281 988 T C -1.826 172.411 174.700 -0.771 0.000 0.994 988 T CA -1.604 59.912 62.100 -0.974 0.000 1.015 988 T CB 0.944 68.966 68.868 -1.411 0.000 1.028 988 T HN 0.216 nan 8.240 nan 0.000 0.523 989 P HA -0.237 nan 4.420 nan 0.000 0.220 989 P C 1.303 178.577 177.300 -0.044 0.000 1.155 989 P CA 1.623 64.495 63.100 -0.381 0.000 0.880 989 P CB -0.053 31.446 31.700 -0.335 0.000 0.790 990 D N -1.532 118.851 120.400 -0.029 0.000 2.144 990 D HA -0.178 4.469 4.640 0.012 0.000 0.200 990 D C 1.729 178.225 176.300 0.326 0.000 0.978 990 D CA 1.271 55.415 54.000 0.239 0.000 0.833 990 D CB -1.374 39.641 40.800 0.357 0.000 0.961 990 D HN 0.120 nan 8.370 nan 0.000 0.470 991 F N 0.984 120.947 119.950 0.021 0.000 2.146 991 F HA 0.073 4.607 4.527 0.011 0.000 0.298 991 F C 2.547 178.421 175.800 0.123 0.000 1.096 991 F CA 0.075 58.178 58.000 0.173 0.000 1.275 991 F CB -1.058 38.111 39.000 0.282 0.000 1.008 991 F HN -0.041 nan 8.300 nan 0.000 0.480 992 L N -1.549 119.799 121.223 0.208 0.000 2.046 992 L HA -0.258 4.089 4.340 0.012 0.000 0.208 992 L C 2.484 179.415 176.870 0.102 0.000 1.077 992 L CA 1.282 56.178 54.840 0.093 0.000 0.747 992 L CB -0.826 41.209 42.059 -0.040 0.000 0.896 992 L HN 0.033 nan 8.230 nan 0.000 0.432 993 F N 0.153 120.120 119.950 0.027 0.000 2.161 993 F HA -0.220 4.314 4.527 0.012 0.000 0.300 993 F C 2.230 178.045 175.800 0.025 0.000 1.089 993 F CA 1.414 59.430 58.000 0.027 0.000 1.282 993 F CB -0.072 38.944 39.000 0.027 0.000 1.010 993 F HN -0.244 nan 8.300 nan 0.000 0.485 994 V N 0.200 120.189 119.914 0.125 0.000 2.626 994 V HA -0.299 3.828 4.120 0.012 0.000 0.252 994 V C 2.045 178.113 176.094 -0.042 0.000 1.067 994 V CA 1.851 64.126 62.300 -0.041 0.000 1.081 994 V CB -0.601 30.960 31.823 -0.436 0.000 0.686 994 V HN 0.368 nan 8.190 nan 0.000 0.468 995 M N -0.335 119.301 119.600 0.060 0.000 2.561 995 M HA 0.256 4.743 4.480 0.012 0.000 0.238 995 M C 1.556 177.947 176.300 0.152 0.000 1.131 995 M CA 0.875 56.263 55.300 0.147 0.000 1.046 995 M CB 0.272 33.019 32.600 0.245 0.000 1.532 995 M HN 0.488 nan 8.290 nan 0.000 0.497 996 G N 0.823 109.611 108.800 -0.019 0.000 2.143 996 G HA2 -0.212 3.755 3.960 0.012 0.000 0.249 996 G HA3 -0.212 3.755 3.960 0.012 0.000 0.249 996 G C 0.123 174.949 174.900 -0.124 0.000 0.981 996 G CA 0.456 45.498 45.100 -0.097 0.000 0.665 996 G HN 0.428 nan 8.290 nan 0.000 0.528 997 T N -0.146 114.338 114.554 -0.115 0.000 2.949 997 T HA 0.831 5.188 4.350 0.012 0.000 0.287 997 T C -0.012 174.611 174.700 -0.128 0.000 1.034 997 T CA 0.289 62.303 62.100 -0.145 0.000 1.018 997 T CB 2.044 70.758 68.868 -0.257 0.000 1.135 997 T HN 1.602 nan 8.240 nan 0.000 0.532 998 S N -0.692 114.939 115.700 -0.113 0.000 2.578 998 S HA 0.542 5.019 4.470 0.012 0.000 0.285 998 S C 0.127 174.693 174.600 -0.057 0.000 1.126 998 S CA -0.101 58.075 58.200 -0.039 0.000 0.878 998 S CB 0.826 64.062 63.200 0.061 0.000 1.091 998 S HN 1.849 nan 8.310 nan 0.000 0.450 999 G N 2.472 111.241 108.800 -0.050 0.000 2.333 999 G HA2 -0.223 3.744 3.960 0.012 0.000 0.296 999 G HA3 -0.223 3.744 3.960 0.012 0.000 0.296 999 G C 0.181 175.032 174.900 -0.082 0.000 1.059 999 G CA 0.334 45.405 45.100 -0.048 0.000 1.050 999 G HN 1.496 nan 8.290 nan 0.000 0.508 1000 K N -1.546 118.774 120.400 -0.133 0.000 3.490 1000 K HA -0.258 4.069 4.320 0.012 0.000 0.273 1000 K C 1.133 177.649 176.600 -0.139 0.000 0.916 1000 K CA 1.735 57.929 56.287 -0.155 0.000 0.718 1000 K CB -0.525 31.922 32.500 -0.087 0.000 1.477 1000 K HN 0.750 nan 8.250 nan 0.000 0.452 1001 K N -0.205 120.079 120.400 -0.193 0.000 4.564 1001 K HA 0.376 4.703 4.320 0.012 0.000 0.234 1001 K C 0.068 176.589 176.600 -0.131 0.000 1.062 1001 K CA 0.198 56.411 56.287 -0.124 0.000 1.948 1001 K CB 0.909 33.353 32.500 -0.094 0.000 2.935 1001 K HN 0.238 nan 8.250 nan 0.000 0.681 1002 T N -0.716 113.786 114.554 -0.088 0.000 2.700 1002 T HA 0.362 4.719 4.350 0.012 0.000 0.307 1002 T C -1.834 172.911 174.700 0.075 0.000 1.580 1002 T CA -0.832 61.296 62.100 0.047 0.000 0.992 1002 T CB 1.382 70.315 68.868 0.108 0.000 1.577 1002 T HN 0.716 nan 8.240 nan 0.000 0.496 1003 S N -1.032 114.776 115.700 0.179 0.000 2.712 1003 S HA 0.415 4.892 4.470 0.012 0.000 0.279 1003 S C -3.054 171.625 174.600 0.132 0.000 1.025 1003 S CA -0.946 57.328 58.200 0.123 0.000 0.861 1003 S CB 0.732 64.002 63.200 0.116 0.000 1.091 1003 S HN 0.419 nan 8.310 nan 0.000 0.457 1004 P HA -0.102 nan 4.420 nan 0.000 0.215 1004 P C 1.262 178.558 177.300 -0.006 0.000 1.153 1004 P CA 1.484 64.558 63.100 -0.043 0.000 0.853 1004 P CB -0.138 31.465 31.700 -0.162 0.000 0.788 1005 H N -2.263 116.877 119.070 0.117 0.000 2.357 1005 H HA -0.072 4.491 4.556 0.012 0.000 0.301 1005 H C 1.950 177.403 175.328 0.209 0.000 1.082 1005 H CA 1.054 57.185 56.048 0.139 0.000 1.342 1005 H CB -1.091 28.754 29.762 0.139 0.000 1.389 1005 H HN 0.135 nan 8.280 nan 0.000 0.511 1006 F N 2.255 122.333 119.950 0.212 0.000 2.102 1006 F HA -0.193 4.341 4.527 0.012 0.000 0.298 1006 F C 2.426 178.367 175.800 0.235 0.000 1.105 1006 F CA 1.440 59.565 58.000 0.207 0.000 1.239 1006 F CB -0.258 38.815 39.000 0.122 0.000 0.991 1006 F HN 0.055 nan 8.300 nan 0.000 0.474 1007 Q N -0.160 119.685 119.800 0.075 0.000 2.124 1007 Q HA -0.256 4.091 4.340 0.012 0.000 0.202 1007 Q C 2.142 178.078 176.000 -0.107 0.000 0.977 1007 Q CA 1.820 57.578 55.803 -0.075 0.000 0.850 1007 Q CB -0.313 28.442 28.738 0.027 0.000 0.901 1007 Q HN 0.257 nan 8.270 nan 0.000 0.429 1008 K N 0.602 120.989 120.400 -0.022 0.000 2.148 1008 K HA -0.150 4.177 4.320 0.012 0.000 0.204 1008 K C 1.554 178.057 176.600 -0.162 0.000 1.050 1008 K CA 0.838 57.088 56.287 -0.062 0.000 0.942 1008 K CB -0.249 32.274 32.500 0.038 0.000 0.724 1008 K HN 0.169 nan 8.250 nan 0.000 0.446 1009 F N 1.277 121.091 119.950 -0.226 0.000 2.084 1009 F HA -0.126 4.408 4.527 0.012 0.000 0.296 1009 F C 1.859 177.450 175.800 -0.348 0.000 1.111 1009 F CA 1.582 59.414 58.000 -0.280 0.000 1.224 1009 F CB -0.370 38.522 39.000 -0.179 0.000 0.991 1009 F HN 0.066 nan 8.300 nan 0.000 0.471 1010 Q N -0.336 119.112 119.800 -0.586 0.000 2.170 1010 Q HA -0.231 4.116 4.340 0.012 0.000 0.203 1010 Q C 1.733 177.462 176.000 -0.452 0.000 0.976 1010 Q CA 1.734 57.185 55.803 -0.587 0.000 0.858 1010 Q CB -0.369 28.101 28.738 -0.447 0.000 0.907 1010 Q HN 0.511 nan 8.270 nan 0.000 0.433 1011 D N 0.552 120.730 120.400 -0.369 0.000 2.123 1011 D HA -0.093 4.554 4.640 0.012 0.000 0.200 1011 D C 1.662 177.742 176.300 -0.366 0.000 0.976 1011 D CA 0.838 54.665 54.000 -0.288 0.000 0.831 1011 D CB 0.003 40.679 40.800 -0.208 0.000 0.974 1011 D HN 0.162 nan 8.370 nan 0.000 0.469 1012 I N 0.028 120.309 120.570 -0.481 0.000 2.179 1012 I HA -0.322 3.855 4.170 0.012 0.000 0.242 1012 I C 2.478 178.221 176.117 -0.622 0.000 1.088 1012 I CA 0.681 61.638 61.300 -0.572 0.000 1.357 1012 I CB -0.356 37.202 38.000 -0.736 0.000 1.051 1012 I HN 0.211 nan 8.210 nan 0.000 0.409 1013 C N 0.115 118.968 119.300 -0.745 0.000 2.413 1013 C HA -0.137 4.330 4.460 0.012 0.000 0.276 1013 C C 2.931 177.496 174.990 -0.708 0.000 1.236 1013 C CA 0.628 59.148 59.018 -0.829 0.000 1.735 1013 C CB -0.754 26.431 27.740 -0.925 0.000 2.031 1013 C HN 0.361 nan 8.230 nan 0.000 0.474 1014 V N 0.857 120.491 119.914 -0.466 0.000 2.307 1014 V HA -0.224 3.903 4.120 0.012 0.000 0.245 1014 V C 2.533 178.520 176.094 -0.178 0.000 1.045 1014 V CA 2.151 64.307 62.300 -0.241 0.000 1.024 1014 V CB -0.645 31.103 31.823 -0.125 0.000 0.651 1014 V HN 0.566 nan 8.190 nan 0.000 0.449 1015 K N 0.038 120.304 120.400 -0.224 0.000 2.097 1015 K HA -0.165 4.162 4.320 0.012 0.000 0.206 1015 K C 2.138 178.631 176.600 -0.179 0.000 1.049 1015 K CA 1.517 57.702 56.287 -0.171 0.000 0.933 1015 K CB -0.270 32.119 32.500 -0.185 0.000 0.717 1015 K HN 0.439 nan 8.250 nan 0.000 0.442 1016 A N 0.197 122.826 122.820 -0.318 0.000 1.898 1016 A HA -0.173 4.154 4.320 0.012 0.000 0.216 1016 A C 2.019 179.675 177.584 0.121 0.000 1.181 1016 A CA 1.195 53.057 52.037 -0.291 0.000 0.620 1016 A CB -0.786 17.769 19.000 -0.741 0.000 0.819 1016 A HN 0.541 nan 8.150 nan 0.000 0.442 1017 Y N 1.450 121.598 120.300 -0.252 0.000 2.145 1017 Y HA -0.158 4.399 4.550 0.012 0.000 0.286 1017 Y C 1.929 177.773 175.900 -0.093 0.000 1.145 1017 Y CA 1.862 59.849 58.100 -0.187 0.000 1.148 1017 Y CB -0.431 37.778 38.460 -0.419 0.000 0.981 1017 Y HN 0.295 nan 8.280 nan 0.000 0.507 1018 L N -0.558 120.537 121.223 -0.215 0.000 2.291 1018 L HA 0.237 4.584 4.340 0.012 0.000 0.214 1018 L C 2.305 178.792 176.870 -0.638 0.000 1.120 1018 L CA 1.626 56.212 54.840 -0.424 0.000 0.799 1018 L CB -1.773 40.141 42.059 -0.242 0.000 0.925 1018 L HN 0.082 nan 8.230 nan 0.000 0.446 1019 A N 0.456 123.112 122.820 -0.274 0.000 2.015 1019 A HA 0.008 4.335 4.320 0.012 0.000 0.219 1019 A C 2.286 179.833 177.584 -0.061 0.000 1.163 1019 A CA 1.659 53.631 52.037 -0.109 0.000 0.646 1019 A CB -0.733 18.424 19.000 0.261 0.000 0.806 1019 A HN 0.510 nan 8.150 nan 0.000 0.448 1020 L N -1.441 119.733 121.223 -0.082 0.000 2.209 1020 L HA -0.058 4.289 4.340 0.012 0.000 0.207 1020 L C 2.656 179.443 176.870 -0.140 0.000 1.094 1020 L CA 0.732 55.507 54.840 -0.109 0.000 0.790 1020 L CB -0.450 41.554 42.059 -0.090 0.000 0.932 1020 L HN 0.335 nan 8.230 nan 0.000 0.447 1021 R N -0.425 119.888 120.500 -0.311 0.000 2.152 1021 R HA -0.149 4.198 4.340 0.012 0.000 0.232 1021 R C 1.757 177.981 176.300 -0.126 0.000 1.117 1021 R CA 1.112 57.047 56.100 -0.274 0.000 0.981 1021 R CB -0.453 29.614 30.300 -0.388 0.000 0.870 1021 R HN 0.549 nan 8.270 nan 0.000 0.451 1022 H N -1.240 117.788 119.070 -0.071 0.000 2.563 1022 H HA 0.024 4.586 4.556 0.011 0.000 0.272 1022 H C 0.529 175.653 175.328 -0.341 0.000 1.005 1022 H CA 0.298 56.253 56.048 -0.155 0.000 1.171 1022 H CB 0.205 29.893 29.762 -0.125 0.000 1.351 1022 H HN 0.281 nan 8.280 nan 0.000 0.602 1023 H N -0.977 118.094 119.070 0.002 0.000 2.665 1023 H HA 0.094 4.657 4.556 0.012 0.000 0.248 1023 H C 1.041 176.346 175.328 -0.039 0.000 1.175 1023 H CA 0.002 56.038 56.048 -0.020 0.000 0.952 1023 H CB 0.768 30.501 29.762 -0.049 0.000 1.883 1023 H HN 0.247 nan 8.280 nan 0.000 0.623 1024 T N 1.206 115.767 114.554 0.011 0.000 2.680 1024 T HA -0.194 4.163 4.350 0.012 0.000 0.268 1024 T C 1.895 176.600 174.700 0.009 0.000 1.033 1024 T CA 1.705 63.798 62.100 -0.012 0.000 1.152 1024 T CB 0.124 68.971 68.868 -0.036 0.000 0.859 1024 T HN 0.454 nan 8.240 nan 0.000 0.452 1025 N N 0.904 119.613 118.700 0.015 0.000 2.171 1025 N HA 0.067 4.814 4.740 0.012 0.000 0.184 1025 N C 1.856 177.396 175.510 0.049 0.000 1.021 1025 N CA 0.453 53.521 53.050 0.030 0.000 0.854 1025 N CB -0.691 37.810 38.487 0.024 0.000 0.994 1025 N HN 0.284 nan 8.380 nan 0.000 0.426 1026 L N 0.966 122.226 121.223 0.061 0.000 2.012 1026 L HA -0.139 4.208 4.340 0.012 0.000 0.210 1026 L C 1.970 178.886 176.870 0.075 0.000 1.073 1026 L CA 1.312 56.195 54.840 0.073 0.000 0.748 1026 L CB -0.348 41.774 42.059 0.104 0.000 0.891 1026 L HN 0.157 nan 8.230 nan 0.000 0.431 1027 L N -0.515 120.743 121.223 0.059 0.000 2.046 1027 L HA -0.281 4.066 4.340 0.012 0.000 0.208 1027 L C 2.546 179.470 176.870 0.089 0.000 1.077 1027 L CA 1.333 56.201 54.840 0.047 0.000 0.747 1027 L CB -0.382 41.674 42.059 -0.004 0.000 0.896 1027 L HN 0.293 nan 8.230 nan 0.000 0.432 1028 I N -0.517 120.098 120.570 0.075 0.000 2.286 1028 I HA -0.312 3.865 4.170 0.012 0.000 0.248 1028 I C 2.455 178.668 176.117 0.161 0.000 1.115 1028 I CA 1.100 62.469 61.300 0.115 0.000 1.392 1028 I CB -0.073 37.971 38.000 0.072 0.000 1.065 1028 I HN 0.270 nan 8.210 nan 0.000 0.418 1029 I N 0.805 121.444 120.570 0.116 0.000 2.406 1029 I HA -0.197 3.980 4.170 0.012 0.000 0.249 1029 I C 2.306 178.493 176.117 0.116 0.000 1.122 1029 I CA 1.508 62.870 61.300 0.103 0.000 1.431 1029 I CB -0.174 37.873 38.000 0.077 0.000 1.087 1029 I HN 0.191 nan 8.210 nan 0.000 0.424 1030 L N -0.456 120.843 121.223 0.127 0.000 2.093 1030 L HA -0.242 4.105 4.340 0.012 0.000 0.208 1030 L C 2.537 179.495 176.870 0.146 0.000 1.085 1030 L CA 1.201 56.114 54.840 0.122 0.000 0.755 1030 L CB -0.781 41.344 42.059 0.111 0.000 0.904 1030 L HN 0.156 nan 8.230 nan 0.000 0.435 1031 F N 1.194 121.158 119.950 0.023 0.000 2.134 1031 F HA -0.244 4.289 4.527 0.011 0.000 0.299 1031 F C 2.819 178.641 175.800 0.036 0.000 1.097 1031 F CA 1.628 59.642 58.000 0.025 0.000 1.264 1031 F CB -0.274 38.751 39.000 0.042 0.000 1.001 1031 F HN 0.108 nan 8.300 nan 0.000 0.479 1032 S N -0.203 115.563 115.700 0.110 0.000 2.406 1032 S HA -0.199 4.278 4.470 0.012 0.000 0.228 1032 S C 2.052 176.642 174.600 -0.016 0.000 1.020 1032 S CA 1.215 59.412 58.200 -0.005 0.000 0.965 1032 S CB -0.699 62.537 63.200 0.060 0.000 0.798 1032 S HN 0.476 nan 8.310 nan 0.000 0.488 1033 M N 0.920 120.543 119.600 0.038 0.000 2.132 1033 M HA 0.045 4.532 4.480 0.012 0.000 0.263 1033 M C 2.498 178.815 176.300 0.027 0.000 1.065 1033 M CA 1.754 57.118 55.300 0.107 0.000 1.122 1033 M CB -0.454 32.233 32.600 0.146 0.000 1.365 1033 M HN 0.478 nan 8.290 nan 0.000 0.411 1034 M N 0.651 120.220 119.600 -0.052 0.000 2.117 1034 M HA -0.211 4.276 4.480 0.012 0.000 0.262 1034 M C 1.787 177.984 176.300 -0.171 0.000 1.065 1034 M CA 1.779 57.007 55.300 -0.120 0.000 1.114 1034 M CB -0.128 32.389 32.600 -0.139 0.000 1.361 1034 M HN 0.225 nan 8.290 nan 0.000 0.408 1035 L N -0.117 120.957 121.223 -0.249 0.000 2.056 1035 L HA -0.189 4.158 4.340 0.012 0.000 0.207 1035 L C 2.640 179.453 176.870 -0.095 0.000 1.078 1035 L CA 1.350 56.058 54.840 -0.220 0.000 0.749 1035 L CB -0.697 41.189 42.059 -0.290 0.000 0.901 1035 L HN 0.461 nan 8.230 nan 0.000 0.433 1036 M N -0.597 118.984 119.600 -0.032 0.000 2.229 1036 M HA -0.125 4.362 4.480 0.012 0.000 0.264 1036 M C 2.125 178.423 176.300 -0.003 0.000 1.063 1036 M CA 2.102 57.429 55.300 0.044 0.000 1.114 1036 M CB -0.542 32.168 32.600 0.183 0.000 1.387 1036 M HN 0.422 nan 8.290 nan 0.000 0.420 1037 T N -4.135 110.388 114.554 -0.051 0.000 3.040 1037 T HA 0.242 4.599 4.350 0.012 0.000 0.250 1037 T C 1.452 176.073 174.700 -0.131 0.000 1.058 1037 T CA 0.587 62.603 62.100 -0.140 0.000 0.988 1037 T CB 0.254 69.000 68.868 -0.203 0.000 0.993 1037 T HN 0.388 nan 8.240 nan 0.000 0.519 1038 G N 0.914 109.644 108.800 -0.118 0.000 2.739 1038 G HA2 0.364 4.331 3.960 0.012 0.000 0.200 1038 G HA3 0.364 4.331 3.960 0.012 0.000 0.200 1038 G C 0.528 175.359 174.900 -0.116 0.000 1.069 1038 G CA -0.285 44.739 45.100 -0.127 0.000 0.768 1038 G HN 0.260 nan 8.290 nan 0.000 0.565 1039 M N 0.774 120.319 119.600 -0.092 0.000 2.336 1039 M HA 0.386 4.873 4.480 0.012 0.000 0.256 1039 M C -1.597 174.705 176.300 0.004 0.000 1.176 1039 M CA -2.785 52.498 55.300 -0.029 0.000 0.948 1039 M CB 0.247 32.855 32.600 0.014 0.000 1.393 1039 M HN -0.133 nan 8.290 nan 0.000 0.528 1040 P HA -0.005 nan 4.420 nan 0.000 0.251 1040 P C -0.382 176.900 177.300 -0.030 0.000 1.289 1040 P CA 0.350 63.457 63.100 0.012 0.000 0.676 1040 P CB 0.009 31.727 31.700 0.031 0.000 1.294 1041 Q N 1.070 120.832 119.800 -0.064 0.000 2.553 1041 Q HA 0.219 4.566 4.340 0.012 0.000 0.221 1041 Q C -0.391 175.529 176.000 -0.132 0.000 1.219 1041 Q CA -0.417 55.301 55.803 -0.143 0.000 0.955 1041 Q CB -1.146 27.455 28.738 -0.229 0.000 1.399 1041 Q HN 0.172 nan 8.270 nan 0.000 0.551 1042 L N 1.574 122.768 121.223 -0.050 0.000 2.360 1042 L HA 0.460 4.807 4.340 0.012 0.000 0.276 1042 L C -0.395 176.502 176.870 0.045 0.000 1.121 1042 L CA 0.033 54.869 54.840 -0.008 0.000 0.845 1042 L CB 0.027 42.087 42.059 0.003 0.000 1.143 1042 L HN 0.268 nan 8.230 nan 0.000 0.452 1043 T N 3.087 117.662 114.554 0.036 0.000 2.736 1043 T HA -0.022 4.335 4.350 0.012 0.000 0.275 1043 T C 1.263 176.068 174.700 0.175 0.000 0.962 1043 T CA 0.374 62.535 62.100 0.102 0.000 1.214 1043 T CB -0.322 68.591 68.868 0.076 0.000 0.904 1043 T HN 0.726 nan 8.240 nan 0.000 0.529 1044 S N 3.949 119.830 115.700 0.301 0.000 3.237 1044 S HA 0.054 4.531 4.470 0.012 0.000 0.255 1044 S C 1.046 175.717 174.600 0.119 0.000 1.127 1044 S CA 0.462 58.770 58.200 0.180 0.000 1.254 1044 S CB -0.255 63.000 63.200 0.091 0.000 1.022 1044 S HN 0.635 nan 8.310 nan 0.000 0.477 1045 K N -0.392 120.082 120.400 0.124 0.000 2.780 1045 K HA 0.192 4.519 4.320 0.012 0.000 0.285 1045 K C 1.158 177.826 176.600 0.114 0.000 2.287 1045 K CA -0.673 55.676 56.287 0.103 0.000 1.226 1045 K CB -0.002 32.556 32.500 0.096 0.000 2.852 1045 K HN -0.075 nan 8.250 nan 0.000 0.573 1046 E N 1.695 121.961 120.200 0.109 0.000 2.108 1046 E HA -0.258 4.099 4.350 0.012 0.000 0.203 1046 E C 1.161 177.860 176.600 0.165 0.000 1.022 1046 E CA 2.092 58.564 56.400 0.121 0.000 0.823 1046 E CB -0.151 29.610 29.700 0.102 0.000 0.744 1046 E HN 0.283 nan 8.360 nan 0.000 0.456 1047 D N 0.561 121.053 120.400 0.154 0.000 2.092 1047 D HA -0.162 4.485 4.640 0.012 0.000 0.193 1047 D C 1.971 178.451 176.300 0.300 0.000 0.994 1047 D CA 0.878 54.991 54.000 0.188 0.000 0.828 1047 D CB -0.300 40.561 40.800 0.101 0.000 0.963 1047 D HN 0.188 nan 8.370 nan 0.000 0.450 1048 I N 0.966 121.674 120.570 0.230 0.000 2.614 1048 I HA -0.149 4.028 4.170 0.012 0.000 0.258 1048 I C 2.170 178.501 176.117 0.357 0.000 1.189 1048 I CA 0.808 62.296 61.300 0.313 0.000 1.462 1048 I CB -0.860 37.242 38.000 0.171 0.000 1.092 1048 I HN 0.084 nan 8.210 nan 0.000 0.442 1049 E N 0.292 120.639 120.200 0.244 0.000 2.274 1049 E HA -0.235 4.122 4.350 0.012 0.000 0.194 1049 E C 2.145 178.815 176.600 0.117 0.000 0.996 1049 E CA 0.396 56.889 56.400 0.155 0.000 0.840 1049 E CB -0.121 29.644 29.700 0.108 0.000 0.772 1049 E HN 0.474 nan 8.360 nan 0.000 0.491 1050 Y N 0.936 121.292 120.300 0.093 0.000 2.069 1050 Y HA -0.317 4.241 4.550 0.012 0.000 0.278 1050 Y C 2.080 177.877 175.900 -0.173 0.000 1.175 1050 Y CA 2.086 60.180 58.100 -0.009 0.000 1.134 1050 Y CB -0.311 38.177 38.460 0.046 0.000 0.965 1050 Y HN 0.112 nan 8.280 nan 0.000 0.498 1051 I N 0.273 120.724 120.570 -0.198 0.000 2.335 1051 I HA -0.324 3.853 4.170 0.012 0.000 0.251 1051 I C 2.686 178.643 176.117 -0.267 0.000 1.129 1051 I CA 1.733 62.784 61.300 -0.415 0.000 1.402 1051 I CB -0.354 37.238 38.000 -0.680 0.000 1.069 1051 I HN 0.256 nan 8.210 nan 0.000 0.424 1052 R N 0.543 120.948 120.500 -0.159 0.000 2.073 1052 R HA -0.191 4.156 4.340 0.012 0.000 0.234 1052 R C 1.916 178.119 176.300 -0.162 0.000 1.134 1052 R CA 2.190 58.222 56.100 -0.113 0.000 0.952 1052 R CB -0.274 29.996 30.300 -0.051 0.000 0.850 1052 R HN 0.354 nan 8.270 nan 0.000 0.433 1053 D N 0.172 120.439 120.400 -0.222 0.000 2.117 1053 D HA -0.115 4.532 4.640 0.012 0.000 0.198 1053 D C 1.746 177.882 176.300 -0.273 0.000 0.982 1053 D CA 1.551 55.410 54.000 -0.237 0.000 0.828 1053 D CB -0.367 40.291 40.800 -0.237 0.000 0.967 1053 D HN 0.406 nan 8.370 nan 0.000 0.464 1054 A N 0.630 123.164 122.820 -0.476 0.000 1.933 1054 A HA -0.102 4.225 4.320 0.012 0.000 0.218 1054 A C 2.189 179.823 177.584 0.084 0.000 1.175 1054 A CA 0.871 52.673 52.037 -0.391 0.000 0.628 1054 A CB -0.706 17.820 19.000 -0.791 0.000 0.814 1054 A HN 0.239 nan 8.150 nan 0.000 0.444 1055 L N -0.626 120.579 121.223 -0.030 0.000 2.599 1055 L HA 0.023 4.370 4.340 0.012 0.000 0.230 1055 L C 1.215 178.072 176.870 -0.021 0.000 1.141 1055 L CA 0.537 55.388 54.840 0.019 0.000 0.877 1055 L CB -0.516 41.499 42.059 -0.072 0.000 1.009 1055 L HN 0.417 nan 8.230 nan 0.000 0.447 1056 T N 0.271 114.788 114.554 -0.061 0.000 3.795 1056 T HA -0.176 4.181 4.350 0.012 0.000 0.370 1056 T C 0.344 174.975 174.700 -0.114 0.000 0.761 1056 T CA -0.124 61.873 62.100 -0.171 0.000 1.923 1056 T CB -1.097 67.634 68.868 -0.229 0.000 1.795 1056 T HN 0.060 nan 8.240 nan 0.000 0.762 1057 V N 1.255 121.112 119.914 -0.096 0.000 2.644 1057 V HA 0.389 4.516 4.120 0.012 0.000 0.305 1057 V C 1.945 178.004 176.094 -0.059 0.000 1.053 1057 V CA 1.707 63.966 62.300 -0.069 0.000 1.186 1057 V CB 0.623 32.413 31.823 -0.056 0.000 0.895 1057 V HN 1.164 nan 8.190 nan 0.000 0.490 1058 G N 4.466 113.240 108.800 -0.043 0.000 2.850 1058 G HA2 -0.178 3.789 3.960 0.012 0.000 0.207 1058 G HA3 -0.178 3.789 3.960 0.012 0.000 0.207 1058 G C 0.354 175.238 174.900 -0.026 0.000 1.302 1058 G CA -0.169 44.912 45.100 -0.032 0.000 0.832 1058 G HN 0.561 nan 8.290 nan 0.000 0.543 1059 K N 2.555 122.934 120.400 -0.034 0.000 2.455 1059 K HA 0.119 4.446 4.320 0.012 0.000 0.269 1059 K C 0.915 177.514 176.600 -0.002 0.000 0.972 1059 K CA 0.424 56.702 56.287 -0.016 0.000 0.938 1059 K CB 0.194 32.680 32.500 -0.023 0.000 0.931 1059 K HN 0.830 nan 8.250 nan 0.000 0.507 1060 N N 0.572 119.280 118.700 0.014 0.000 2.413 1060 N HA 0.030 4.777 4.740 0.012 0.000 0.266 1060 N C 0.587 176.119 175.510 0.036 0.000 1.238 1060 N CA -0.373 52.689 53.050 0.021 0.000 0.972 1060 N CB 0.765 39.265 38.487 0.022 0.000 1.210 1060 N HN 0.406 nan 8.380 nan 0.000 0.547 1061 E N -0.122 120.103 120.200 0.042 0.000 2.085 1061 E HA -0.195 4.162 4.350 0.012 0.000 0.194 1061 E C 1.210 177.854 176.600 0.074 0.000 0.994 1061 E CA 1.327 57.761 56.400 0.056 0.000 0.801 1061 E CB 0.090 29.829 29.700 0.064 0.000 0.743 1061 E HN 0.563 nan 8.360 nan 0.000 0.453 1062 E N 0.949 121.186 120.200 0.062 0.000 2.077 1062 E HA -0.179 4.178 4.350 0.012 0.000 0.193 1062 E C 1.673 178.328 176.600 0.091 0.000 0.989 1062 E CA 0.940 57.381 56.400 0.068 0.000 0.800 1062 E CB -0.254 29.476 29.700 0.050 0.000 0.746 1062 E HN 0.304 nan 8.360 nan 0.000 0.452 1063 D N 0.474 120.927 120.400 0.088 0.000 2.224 1063 D HA -0.032 4.615 4.640 0.012 0.000 0.205 1063 D C 1.767 178.174 176.300 0.179 0.000 0.965 1063 D CA 1.013 55.079 54.000 0.110 0.000 0.852 1063 D CB -0.022 40.823 40.800 0.074 0.000 0.947 1063 D HN 0.128 nan 8.370 nan 0.000 0.494 1064 A N 1.491 124.422 122.820 0.185 0.000 1.841 1064 A HA -0.193 4.134 4.320 0.012 0.000 0.214 1064 A C 2.117 179.963 177.584 0.436 0.000 1.195 1064 A CA 1.800 54.035 52.037 0.330 0.000 0.611 1064 A CB -0.494 18.632 19.000 0.209 0.000 0.835 1064 A HN 0.174 nan 8.150 nan 0.000 0.443 1065 K N 0.128 120.698 120.400 0.283 0.000 2.020 1065 K HA -0.295 4.032 4.320 0.012 0.000 0.212 1065 K C 2.117 178.834 176.600 0.196 0.000 1.050 1065 K CA 2.268 58.691 56.287 0.227 0.000 0.929 1065 K CB -0.220 32.353 32.500 0.123 0.000 0.714 1065 K HN 0.283 nan 8.250 nan 0.000 0.443 1066 K N 0.231 120.731 120.400 0.166 0.000 2.044 1066 K HA -0.263 4.064 4.320 0.012 0.000 0.210 1066 K C 2.077 178.759 176.600 0.136 0.000 1.049 1066 K CA 2.045 58.409 56.287 0.128 0.000 0.927 1066 K CB -0.878 31.692 32.500 0.117 0.000 0.713 1066 K HN 0.428 nan 8.250 nan 0.000 0.443 1067 Y N -0.454 119.885 120.300 0.066 0.000 2.165 1067 Y HA -0.207 4.351 4.550 0.014 0.000 0.286 1067 Y C 1.910 177.743 175.900 -0.112 0.000 1.155 1067 Y CA 2.133 60.243 58.100 0.017 0.000 1.164 1067 Y CB -0.388 38.131 38.460 0.098 0.000 0.978 1067 Y HN 0.176 nan 8.280 nan 0.000 0.513 1068 F N -0.023 119.832 119.950 -0.159 0.000 2.146 1068 F HA -0.186 4.347 4.527 0.011 0.000 0.298 1068 F C 2.009 177.639 175.800 -0.283 0.000 1.096 1068 F CA 1.453 59.193 58.000 -0.433 0.000 1.275 1068 F CB -0.399 38.281 39.000 -0.533 0.000 1.008 1068 F HN 0.000 nan 8.300 nan 0.000 0.480 1069 L N -0.187 121.038 121.223 0.003 0.000 2.081 1069 L HA -0.278 4.069 4.340 0.012 0.000 0.212 1069 L C 1.961 178.780 176.870 -0.085 0.000 1.080 1069 L CA 1.522 56.364 54.840 0.003 0.000 0.754 1069 L CB -0.775 41.302 42.059 0.030 0.000 0.893 1069 L HN 0.080 nan 8.230 nan 0.000 0.433 1070 D N -0.861 119.437 120.400 -0.169 0.000 2.144 1070 D HA -0.164 4.483 4.640 0.012 0.000 0.200 1070 D C 2.381 178.486 176.300 -0.325 0.000 0.978 1070 D CA 0.743 54.623 54.000 -0.200 0.000 0.833 1070 D CB -0.130 40.549 40.800 -0.200 0.000 0.961 1070 D HN 0.215 nan 8.370 nan 0.000 0.470 1071 Q N 0.168 119.630 119.800 -0.564 0.000 2.135 1071 Q HA -0.072 4.275 4.340 0.012 0.000 0.204 1071 Q C 2.477 178.158 176.000 -0.531 0.000 0.981 1071 Q CA 0.614 55.984 55.803 -0.722 0.000 0.856 1071 Q CB -0.297 27.718 28.738 -1.205 0.000 0.902 1071 Q HN 0.439 nan 8.270 nan 0.000 0.425 1072 I N 0.855 121.288 120.570 -0.229 0.000 2.394 1072 I HA -0.225 3.952 4.170 0.012 0.000 0.251 1072 I C 2.045 178.179 176.117 0.030 0.000 1.136 1072 I CA 0.840 62.200 61.300 0.100 0.000 1.425 1072 I CB -0.070 38.121 38.000 0.318 0.000 1.079 1072 I HN 0.121 nan 8.210 nan 0.000 0.425 1073 E N 0.435 120.610 120.200 -0.042 0.000 2.072 1073 E HA -0.115 4.242 4.350 0.012 0.000 0.190 1073 E C 2.446 178.985 176.600 -0.101 0.000 0.982 1073 E CA 0.980 57.360 56.400 -0.034 0.000 0.803 1073 E CB -0.394 29.285 29.700 -0.034 0.000 0.755 1073 E HN 0.287 nan 8.360 nan 0.000 0.453 1074 V N 1.118 120.927 119.914 -0.176 0.000 2.324 1074 V HA -0.326 3.801 4.120 0.012 0.000 0.250 1074 V C 2.598 178.578 176.094 -0.191 0.000 1.060 1074 V CA 1.792 63.981 62.300 -0.185 0.000 1.042 1074 V CB -0.824 30.855 31.823 -0.240 0.000 0.650 1074 V HN 0.288 nan 8.190 nan 0.000 0.450 1075 C N -0.342 118.803 119.300 -0.258 0.000 2.425 1075 C HA -0.127 4.340 4.460 0.012 0.000 0.277 1075 C C 2.921 177.813 174.990 -0.162 0.000 1.280 1075 C CA 0.714 59.591 59.018 -0.235 0.000 1.744 1075 C CB -1.235 26.352 27.740 -0.254 0.000 1.989 1075 C HN 0.486 nan 8.230 nan 0.000 0.491 1076 R N 1.019 121.451 120.500 -0.114 0.000 2.081 1076 R HA -0.113 4.234 4.340 0.012 0.000 0.235 1076 R C 1.631 177.868 176.300 -0.104 0.000 1.131 1076 R CA 1.536 57.573 56.100 -0.106 0.000 0.960 1076 R CB -0.739 29.521 30.300 -0.066 0.000 0.856 1076 R HN 0.615 nan 8.270 nan 0.000 0.436 1077 D N 0.619 120.966 120.400 -0.088 0.000 2.178 1077 D HA -0.119 4.528 4.640 0.012 0.000 0.202 1077 D C 1.659 177.920 176.300 -0.064 0.000 0.974 1077 D CA 1.145 55.104 54.000 -0.068 0.000 0.841 1077 D CB -0.022 40.742 40.800 -0.061 0.000 0.953 1077 D HN 0.045 nan 8.370 nan 0.000 0.478 1078 K N 0.149 120.500 120.400 -0.083 0.000 2.296 1078 K HA 0.123 4.450 4.320 0.012 0.000 0.200 1078 K C 1.403 177.968 176.600 -0.058 0.000 1.048 1078 K CA 0.611 56.863 56.287 -0.058 0.000 0.966 1078 K CB -0.148 32.313 32.500 -0.064 0.000 0.754 1078 K HN 0.174 nan 8.250 nan 0.000 0.466 1079 G N 0.489 109.209 108.800 -0.134 0.000 2.665 1079 G HA2 -0.349 3.618 3.960 0.012 0.000 0.326 1079 G HA3 -0.349 3.618 3.960 0.012 0.000 0.326 1079 G C 0.649 175.377 174.900 -0.287 0.000 1.231 1079 G CA 0.676 45.645 45.100 -0.219 0.000 0.992 1079 G HN 0.472 nan 8.290 nan 0.000 0.549 1080 W N 1.529 122.838 121.300 0.015 0.000 3.278 1080 W HA 0.357 5.025 4.660 0.012 0.000 0.308 1080 W C 2.678 179.295 176.519 0.163 0.000 1.253 1080 W CA 0.547 57.934 57.345 0.069 0.000 1.759 1080 W CB 0.019 29.575 29.460 0.159 0.000 1.093 1080 W HN 0.518 nan 8.180 nan 0.000 0.648 1081 T N 0.968 115.695 114.554 0.288 0.000 2.570 1081 T HA -0.288 4.069 4.350 0.012 0.000 0.266 1081 T C 1.859 176.736 174.700 0.296 0.000 1.071 1081 T CA 2.226 64.475 62.100 0.248 0.000 1.172 1081 T CB -0.899 68.043 68.868 0.123 0.000 0.864 1081 T HN -0.079 nan 8.240 nan 0.000 0.421 1082 V N 1.596 121.629 119.914 0.198 0.000 2.287 1082 V HA -0.206 3.921 4.120 0.012 0.000 0.248 1082 V C 2.842 179.138 176.094 0.338 0.000 1.053 1082 V CA 1.620 64.024 62.300 0.174 0.000 1.027 1082 V CB -0.781 31.127 31.823 0.141 0.000 0.646 1082 V HN 0.360 nan 8.190 nan 0.000 0.447 1083 Q N -0.617 119.435 119.800 0.420 0.000 2.045 1083 Q HA -0.244 4.103 4.340 0.012 0.000 0.206 1083 Q C 2.134 178.579 176.000 0.741 0.000 0.991 1083 Q CA 2.300 58.426 55.803 0.539 0.000 0.851 1083 Q CB -0.757 28.196 28.738 0.358 0.000 0.911 1083 Q HN 0.697 nan 8.270 nan 0.000 0.418 1084 F N 1.762 122.115 119.950 0.672 0.000 2.161 1084 F HA -0.190 4.344 4.527 0.011 0.000 0.300 1084 F C 1.735 177.854 175.800 0.532 0.000 1.089 1084 F CA 1.278 59.671 58.000 0.655 0.000 1.282 1084 F CB -0.154 39.084 39.000 0.396 0.000 1.010 1084 F HN 0.109 nan 8.300 nan 0.000 0.485 1085 N N -0.315 118.611 118.700 0.376 0.000 2.309 1085 N HA -0.185 4.562 4.740 0.012 0.000 0.182 1085 N C -0.181 175.410 175.510 0.135 0.000 1.018 1085 N CA 0.627 53.754 53.050 0.127 0.000 0.876 1085 N CB -0.701 37.777 38.487 -0.015 0.000 0.972 1085 N HN 0.354 nan 8.380 nan 0.000 0.434 1086 W N 0.607 122.011 121.300 0.173 0.000 2.701 1086 W HA -0.053 4.614 4.660 0.011 0.000 0.448 1086 W C 0.122 176.221 176.519 -0.700 0.000 1.118 1086 W CA -0.044 57.208 57.345 -0.155 0.000 1.608 1086 W CB -0.568 28.778 29.460 -0.191 0.000 1.650 1086 W HN 0.040 nan 8.180 nan 0.000 0.435 1087 F N -0.628 119.327 119.950 0.010 0.000 2.764 1087 F HA 0.068 4.602 4.527 0.012 0.000 0.393 1087 F C 1.408 177.205 175.800 -0.005 0.000 0.854 1087 F CA -0.298 57.678 58.000 -0.040 0.000 1.003 1087 F CB -0.413 38.506 39.000 -0.136 0.000 1.085 1087 F HN -0.132 nan 8.300 nan 0.000 0.592 1088 L N 0.060 121.346 121.223 0.104 0.000 2.350 1088 L HA 0.241 4.588 4.340 0.012 0.000 0.209 1088 L C 0.740 177.680 176.870 0.118 0.000 1.215 1088 L CA 0.470 55.338 54.840 0.046 0.000 2.667 1088 L CB -0.585 41.464 42.059 -0.018 0.000 2.466 1088 L HN 0.201 nan 8.230 nan 0.000 1.095 1089 H N -0.801 118.174 119.070 -0.159 0.000 2.905 1089 H HA 0.637 5.200 4.556 0.012 0.000 0.280 1089 H C -1.953 173.252 175.328 -0.205 0.000 1.445 1089 H CA -1.473 54.539 56.048 -0.060 0.000 1.165 1089 H CB 1.668 31.438 29.762 0.013 0.000 1.857 1089 H HN 0.190 nan 8.280 nan 0.000 0.567 1090 L N 1.538 122.510 121.223 -0.417 0.000 2.526 1090 L HA 0.667 5.014 4.340 0.012 0.000 0.263 1090 L C -1.229 175.429 176.870 -0.353 0.000 0.943 1090 L CA -0.172 54.445 54.840 -0.371 0.000 0.859 1090 L CB 1.387 43.559 42.059 0.188 0.000 1.313 1090 L HN 0.849 nan 8.230 nan 0.000 0.406 1091 V N 1.592 121.310 119.914 -0.326 0.000 3.087 1091 V HA 0.736 4.863 4.120 0.012 0.000 0.312 1091 V C -0.048 176.018 176.094 -0.046 0.000 1.482 1091 V CA -0.883 61.331 62.300 -0.143 0.000 1.015 1091 V CB 0.772 32.532 31.823 -0.105 0.000 1.055 1091 V HN 1.221 nan 8.190 nan 0.000 0.478 1092 L N 0.000 121.223 121.223 0.000 0.000 2.949 1092 L HA 0.000 4.347 4.340 0.012 0.000 0.249 1092 L CA 0.000 54.861 54.840 0.035 0.000 0.813 1092 L CB 0.000 42.080 42.059 0.035 0.000 0.961 1092 L HN 0.000 nan 8.230 nan 0.000 0.502