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 3l16_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 QSTVGNTGAF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHXXXXX XXXXXXXXER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLV 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 0.000 176.306 176.300 0.010 0.000 1.140 143 M CA 0.000 55.307 55.300 0.013 0.000 0.988 143 M CB 0.000 32.611 32.600 0.018 0.000 1.302 144 S N 0.029 115.733 115.700 0.008 0.000 2.584 144 S HA 0.341 4.810 4.470 -0.002 0.000 0.270 144 S C 1.119 175.726 174.600 0.012 0.000 1.346 144 S CA 0.491 58.694 58.200 0.004 0.000 1.018 144 S CB 0.793 63.989 63.200 -0.007 0.000 0.899 144 S HN 0.939 nan 8.310 nan 0.000 0.542 145 E N 0.863 121.068 120.200 0.009 0.000 2.208 145 E HA -0.036 4.313 4.350 -0.002 0.000 0.193 145 E C 0.889 177.501 176.600 0.020 0.000 0.988 145 E CA 0.709 57.116 56.400 0.012 0.000 0.828 145 E CB 0.127 29.832 29.700 0.008 0.000 0.763 145 E HN 0.621 nan 8.360 nan 0.000 0.478 146 E N -0.201 120.010 120.200 0.018 0.000 2.476 146 E HA 0.023 4.372 4.350 -0.002 0.000 0.196 146 E C 1.439 178.066 176.600 0.045 0.000 1.029 146 E CA -0.073 56.345 56.400 0.029 0.000 0.896 146 E CB 0.484 30.191 29.700 0.011 0.000 1.012 146 E HN 0.010 nan 8.360 nan 0.000 0.475 147 S N 0.233 115.958 115.700 0.041 0.000 2.414 147 S HA -0.077 4.392 4.470 -0.002 0.000 0.227 147 S C 1.735 176.409 174.600 0.125 0.000 1.022 147 S CA 0.849 59.091 58.200 0.071 0.000 0.958 147 S CB 0.226 63.449 63.200 0.038 0.000 0.797 147 S HN 0.186 nan 8.310 nan 0.000 0.493 148 Q N -0.047 119.801 119.800 0.079 0.000 2.331 148 Q HA 0.302 4.640 4.340 -0.002 0.000 0.203 148 Q C 2.165 178.204 176.000 0.065 0.000 0.944 148 Q CA 0.876 56.717 55.803 0.063 0.000 0.892 148 Q CB -0.137 28.621 28.738 0.034 0.000 0.983 148 Q HN 0.667 nan 8.270 nan 0.000 0.482 149 A N -0.222 122.647 122.820 0.082 0.000 2.016 149 A HA -0.117 4.202 4.320 -0.002 0.000 0.217 149 A C 1.651 179.311 177.584 0.127 0.000 1.162 149 A CA 0.490 52.575 52.037 0.079 0.000 0.662 149 A CB -0.432 18.611 19.000 0.071 0.000 0.812 149 A HN 0.422 nan 8.150 nan 0.000 0.450 150 F N 0.747 120.694 119.950 -0.005 0.000 2.051 150 F HA -0.180 4.346 4.527 -0.001 0.000 0.296 150 F C 2.425 178.221 175.800 -0.007 0.000 1.122 150 F CA 2.258 60.255 58.000 -0.005 0.000 1.201 150 F CB -0.680 38.316 39.000 -0.007 0.000 0.978 150 F HN 0.305 nan 8.300 nan 0.000 0.472 151 Q N 0.879 120.685 119.800 0.009 0.000 2.112 151 Q HA -0.264 4.075 4.340 -0.002 0.000 0.206 151 Q C 2.393 178.322 176.000 -0.118 0.000 0.987 151 Q CA 2.464 58.208 55.803 -0.098 0.000 0.858 151 Q CB -0.522 28.212 28.738 -0.006 0.000 0.905 151 Q HN 0.557 nan 8.270 nan 0.000 0.420 152 R N -0.438 120.024 120.500 -0.062 0.000 2.148 152 R HA -0.117 4.222 4.340 -0.002 0.000 0.223 152 R C 2.174 178.429 176.300 -0.074 0.000 1.088 152 R CA 1.351 57.416 56.100 -0.058 0.000 0.985 152 R CB -0.308 29.976 30.300 -0.027 0.000 0.880 152 R HN 0.452 nan 8.270 nan 0.000 0.451 153 Q N 1.014 120.760 119.800 -0.090 0.000 2.050 153 Q HA -0.141 4.198 4.340 -0.002 0.000 0.202 153 Q C 2.150 178.054 176.000 -0.160 0.000 0.980 153 Q CA 1.718 57.459 55.803 -0.103 0.000 0.840 153 Q CB -0.072 28.614 28.738 -0.087 0.000 0.898 153 Q HN 0.477 nan 8.270 nan 0.000 0.424 154 L N 0.077 121.137 121.223 -0.272 0.000 1.989 154 L HA -0.215 4.124 4.340 -0.002 0.000 0.211 154 L C 2.571 179.351 176.870 -0.150 0.000 1.071 154 L CA 1.781 56.463 54.840 -0.263 0.000 0.749 154 L CB -1.031 40.821 42.059 -0.345 0.000 0.890 154 L HN 0.295 nan 8.230 nan 0.000 0.431 155 T N 0.155 114.634 114.554 -0.124 0.000 2.680 155 T HA -0.311 4.038 4.350 -0.002 0.000 0.268 155 T C 1.906 176.564 174.700 -0.070 0.000 1.033 155 T CA 1.735 63.783 62.100 -0.086 0.000 1.152 155 T CB -0.395 68.422 68.868 -0.085 0.000 0.859 155 T HN 0.506 nan 8.240 nan 0.000 0.452 156 A N 0.481 123.262 122.820 -0.065 0.000 1.968 156 A HA 0.168 4.487 4.320 -0.002 0.000 0.217 156 A C 2.304 179.868 177.584 -0.034 0.000 1.169 156 A CA 0.832 52.843 52.037 -0.042 0.000 0.638 156 A CB -0.613 18.368 19.000 -0.032 0.000 0.812 156 A HN 0.463 nan 8.150 nan 0.000 0.446 157 L N -0.567 120.632 121.223 -0.040 0.000 2.005 157 L HA -0.149 4.190 4.340 -0.002 0.000 0.207 157 L C 2.459 179.255 176.870 -0.122 0.000 1.072 157 L CA 1.313 56.145 54.840 -0.012 0.000 0.744 157 L CB -0.476 41.599 42.059 0.027 0.000 0.895 157 L HN 0.352 nan 8.230 nan 0.000 0.433 158 I N -0.406 120.080 120.570 -0.141 0.000 2.163 158 I HA -0.245 3.924 4.170 -0.002 0.000 0.243 158 I C 1.682 177.725 176.117 -0.124 0.000 1.085 158 I CA 1.486 62.680 61.300 -0.176 0.000 1.347 158 I CB -0.625 37.325 38.000 -0.083 0.000 1.044 158 I HN 0.537 nan 8.210 nan 0.000 0.408 159 G N -0.460 108.310 108.800 -0.049 0.000 2.132 159 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.234 159 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.234 159 G C -0.085 174.868 174.900 0.089 0.000 0.989 159 G CA 0.126 45.226 45.100 0.001 0.000 0.676 159 G HN 0.443 nan 8.290 nan 0.000 0.522 160 Y N -0.317 119.944 120.300 -0.065 0.000 2.565 160 Y HA 0.481 5.030 4.550 -0.002 0.000 0.330 160 Y C -1.732 174.135 175.900 -0.055 0.000 1.150 160 Y CA -0.732 57.340 58.100 -0.048 0.000 1.055 160 Y CB 1.686 40.125 38.460 -0.035 0.000 1.337 160 Y HN 0.138 nan 8.280 nan 0.000 0.457 161 D N 4.115 124.161 120.400 -0.591 0.000 2.443 161 D HA 0.271 4.910 4.640 -0.002 0.000 0.221 161 D C 0.757 176.931 176.300 -0.210 0.000 1.097 161 D CA -0.317 53.493 54.000 -0.316 0.000 0.865 161 D CB 1.357 41.974 40.800 -0.306 0.000 1.034 161 D HN 0.516 nan 8.370 nan 0.000 0.511 162 V N 1.791 121.730 119.914 0.041 0.000 3.141 162 V HA -0.082 4.037 4.120 -0.002 0.000 0.265 162 V C 1.790 177.906 176.094 0.036 0.000 1.126 162 V CA 1.778 64.150 62.300 0.121 0.000 1.141 162 V CB -1.287 30.589 31.823 0.089 0.000 0.743 162 V HN 0.679 nan 8.190 nan 0.000 0.492 163 T N -2.291 112.253 114.554 -0.017 0.000 3.023 163 T HA -0.036 4.313 4.350 -0.002 0.000 0.266 163 T C 0.770 175.452 174.700 -0.029 0.000 1.093 163 T CA 0.652 62.740 62.100 -0.019 0.000 1.129 163 T CB -0.554 68.297 68.868 -0.027 0.000 0.899 163 T HN 0.552 nan 8.240 nan 0.000 0.491 164 D N 1.508 121.868 120.400 -0.066 0.000 2.472 164 D HA 0.171 4.810 4.640 -0.002 0.000 0.237 164 D C 0.719 177.005 176.300 -0.023 0.000 1.141 164 D CA 0.633 54.588 54.000 -0.075 0.000 0.875 164 D CB 1.141 41.845 40.800 -0.161 0.000 1.192 164 D HN 0.269 nan 8.370 nan 0.000 0.450 165 V N 0.520 120.422 119.914 -0.020 0.000 3.157 165 V HA 0.182 4.300 4.120 -0.002 0.000 0.361 165 V C 1.110 177.200 176.094 -0.006 0.000 1.421 165 V CA 0.422 62.721 62.300 -0.002 0.000 1.213 165 V CB -0.296 31.530 31.823 0.006 0.000 1.164 165 V HN 0.501 nan 8.190 nan 0.000 0.559 166 S N 0.267 115.955 115.700 -0.019 0.000 2.406 166 S HA -0.028 4.441 4.470 -0.002 0.000 0.228 166 S C 1.282 175.870 174.600 -0.020 0.000 1.020 166 S CA 1.680 59.863 58.200 -0.027 0.000 0.965 166 S CB -0.575 62.597 63.200 -0.047 0.000 0.798 166 S HN 0.616 nan 8.310 nan 0.000 0.488 167 N N 1.351 120.049 118.700 -0.005 0.000 2.671 167 N HA 0.308 5.047 4.740 -0.002 0.000 0.303 167 N C -0.876 174.634 175.510 0.001 0.000 1.351 167 N CA -0.279 52.770 53.050 -0.001 0.000 0.991 167 N CB 0.843 39.339 38.487 0.016 0.000 1.307 167 N HN 0.440 nan 8.380 nan 0.000 0.512 168 V N -1.365 118.545 119.914 -0.007 0.000 2.888 168 V HA 0.483 4.602 4.120 -0.002 0.000 0.309 168 V C 0.296 176.379 176.094 -0.018 0.000 1.114 168 V CA -0.806 61.454 62.300 -0.067 0.000 0.940 168 V CB 1.698 33.491 31.823 -0.049 0.000 1.021 168 V HN 0.397 nan 8.190 nan 0.000 0.426 169 H N 1.098 120.244 119.070 0.128 0.000 2.528 169 H HA 0.491 5.046 4.556 -0.002 0.000 0.282 169 H C -0.572 174.865 175.328 0.182 0.000 1.097 169 H CA 0.293 56.432 56.048 0.152 0.000 1.121 169 H CB 0.604 30.524 29.762 0.264 0.000 1.590 169 H HN 0.907 nan 8.280 nan 0.000 0.553 170 D N 0.449 120.909 120.400 0.100 0.000 2.865 170 D HA -0.068 4.571 4.640 -0.002 0.000 0.343 170 D C -0.376 175.988 176.300 0.107 0.000 1.372 170 D CA -0.454 53.656 54.000 0.182 0.000 0.862 170 D CB 0.205 41.193 40.800 0.313 0.000 1.425 170 D HN 0.084 nan 8.370 nan 0.000 0.501 171 D N -0.953 119.542 120.400 0.160 0.000 2.525 171 D HA 0.039 4.678 4.640 -0.002 0.000 0.229 171 D C 0.655 176.932 176.300 -0.039 0.000 1.202 171 D CA -0.218 53.844 54.000 0.104 0.000 0.828 171 D CB 0.394 41.297 40.800 0.171 0.000 1.008 171 D HN 0.540 nan 8.370 nan 0.000 0.493 172 E N 0.595 120.694 120.200 -0.168 0.000 2.031 172 E HA -0.150 4.199 4.350 -0.002 0.000 0.193 172 E C 1.925 178.483 176.600 -0.070 0.000 0.994 172 E CA 0.784 56.892 56.400 -0.487 0.000 0.800 172 E CB 0.108 29.711 29.700 -0.162 0.000 0.752 172 E HN 0.287 nan 8.360 nan 0.000 0.447 173 L N 1.023 122.252 121.223 0.011 0.000 1.970 173 L HA -0.210 4.129 4.340 -0.002 0.000 0.212 173 L C 2.769 179.650 176.870 0.019 0.000 1.071 173 L CA 1.304 56.119 54.840 -0.042 0.000 0.751 173 L CB -0.526 41.454 42.059 -0.132 0.000 0.889 173 L HN 0.110 nan 8.230 nan 0.000 0.432 174 E N -0.141 120.082 120.200 0.039 0.000 2.097 174 E HA -0.276 4.073 4.350 -0.002 0.000 0.196 174 E C 2.111 178.766 176.600 0.091 0.000 1.000 174 E CA 1.501 57.936 56.400 0.059 0.000 0.804 174 E CB -0.294 29.448 29.700 0.070 0.000 0.740 174 E HN 0.417 nan 8.360 nan 0.000 0.454 175 F N 1.306 121.237 119.950 -0.032 0.000 2.161 175 F HA -0.211 4.315 4.527 -0.001 0.000 0.300 175 F C 2.273 178.073 175.800 0.000 0.000 1.089 175 F CA 1.885 59.880 58.000 -0.009 0.000 1.282 175 F CB -0.201 38.768 39.000 -0.051 0.000 1.010 175 F HN -0.040 nan 8.300 nan 0.000 0.485 176 T N 0.165 114.811 114.554 0.153 0.000 2.951 176 T HA -0.084 4.265 4.350 -0.002 0.000 0.268 176 T C 1.971 176.671 174.700 -0.000 0.000 1.073 176 T CA 1.019 63.168 62.100 0.083 0.000 1.134 176 T CB -0.214 68.732 68.868 0.130 0.000 0.884 176 T HN 0.261 nan 8.240 nan 0.000 0.479 177 R N 0.918 121.415 120.500 -0.005 0.000 2.075 177 R HA 0.076 4.415 4.340 -0.002 0.000 0.232 177 R C 2.709 178.984 176.300 -0.041 0.000 1.126 177 R CA 1.048 57.141 56.100 -0.012 0.000 0.963 177 R CB -0.117 30.183 30.300 0.001 0.000 0.858 177 R HN 0.296 nan 8.270 nan 0.000 0.435 178 R N -0.286 120.163 120.500 -0.085 0.000 2.148 178 R HA -0.036 4.303 4.340 -0.002 0.000 0.227 178 R C 2.298 178.482 176.300 -0.193 0.000 1.103 178 R CA 1.077 57.096 56.100 -0.134 0.000 0.983 178 R CB -0.316 29.884 30.300 -0.168 0.000 0.874 178 R HN 0.326 nan 8.270 nan 0.000 0.451 179 G N 1.503 110.157 108.800 -0.244 0.000 2.421 179 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.216 179 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.216 179 G C 1.329 176.182 174.900 -0.079 0.000 1.171 179 G CA 0.431 45.407 45.100 -0.207 0.000 0.775 179 G HN 0.175 nan 8.290 nan 0.000 0.543 180 L N 0.893 122.094 121.223 -0.036 0.000 2.599 180 L HA 0.116 4.455 4.340 -0.002 0.000 0.230 180 L C 2.465 179.338 176.870 0.005 0.000 1.141 180 L CA -0.397 54.446 54.840 0.005 0.000 0.877 180 L CB 0.188 42.264 42.059 0.028 0.000 1.009 180 L HN 0.027 nan 8.230 nan 0.000 0.447 181 V N -0.560 119.346 119.914 -0.013 0.000 2.515 181 V HA -0.241 3.877 4.120 -0.002 0.000 0.250 181 V C 2.442 178.536 176.094 -0.001 0.000 1.058 181 V CA 2.167 64.465 62.300 -0.005 0.000 1.064 181 V CB -0.443 31.370 31.823 -0.015 0.000 0.675 181 V HN 0.468 nan 8.190 nan 0.000 0.461 182 T N -0.074 114.477 114.554 -0.005 0.000 2.735 182 T HA -0.029 4.320 4.350 -0.002 0.000 0.256 182 T C -0.019 174.688 174.700 0.013 0.000 1.042 182 T CA 1.461 63.562 62.100 0.002 0.000 1.147 182 T CB -1.015 67.852 68.868 -0.001 0.000 0.865 182 T HN 0.382 nan 8.240 nan 0.000 0.421 183 P HA -0.151 nan 4.420 nan 0.000 0.216 183 P C 1.465 178.783 177.300 0.030 0.000 1.154 183 P CA 1.324 64.444 63.100 0.033 0.000 0.865 183 P CB -0.056 31.671 31.700 0.045 0.000 0.789 184 R N -0.233 120.285 120.500 0.030 0.000 2.061 184 R HA -0.039 4.300 4.340 -0.002 0.000 0.230 184 R C 2.072 178.380 176.300 0.012 0.000 1.140 184 R CA 1.886 58.005 56.100 0.032 0.000 0.940 184 R CB -0.811 29.513 30.300 0.040 0.000 0.839 184 R HN 0.094 nan 8.270 nan 0.000 0.429 185 M N 0.306 119.910 119.600 0.007 0.000 2.632 185 M HA 0.011 4.490 4.480 -0.002 0.000 0.256 185 M C 1.934 178.230 176.300 -0.007 0.000 1.080 185 M CA 0.996 56.293 55.300 -0.004 0.000 1.084 185 M CB 0.235 32.833 32.600 -0.004 0.000 1.439 185 M HN 0.412 nan 8.290 nan 0.000 0.509 186 A N -0.272 122.548 122.820 0.000 0.000 1.943 186 A HA -0.052 4.267 4.320 -0.002 0.000 0.213 186 A C 1.966 179.547 177.584 -0.006 0.000 1.181 186 A CA 1.066 53.103 52.037 0.001 0.000 0.653 186 A CB -0.159 18.848 19.000 0.012 0.000 0.833 186 A HN 0.310 nan 8.150 nan 0.000 0.451 187 E N 0.152 120.348 120.200 -0.007 0.000 2.046 187 E HA -0.071 4.277 4.350 -0.002 0.000 0.190 187 E C 1.847 178.412 176.600 -0.058 0.000 0.982 187 E CA 1.430 57.819 56.400 -0.019 0.000 0.800 187 E CB -0.460 29.236 29.700 -0.006 0.000 0.756 187 E HN 0.164 nan 8.360 nan 0.000 0.449 188 V N 0.964 120.841 119.914 -0.062 0.000 2.392 188 V HA -0.275 3.844 4.120 -0.002 0.000 0.249 188 V C 2.306 178.348 176.094 -0.087 0.000 1.059 188 V CA 1.941 64.179 62.300 -0.103 0.000 1.051 188 V CB -0.875 30.905 31.823 -0.072 0.000 0.658 188 V HN 0.435 nan 8.190 nan 0.000 0.455 189 A N -0.003 122.786 122.820 -0.051 0.000 2.119 189 A HA -0.101 4.218 4.320 -0.002 0.000 0.217 189 A C 2.346 179.910 177.584 -0.033 0.000 1.153 189 A CA 1.757 53.772 52.037 -0.037 0.000 0.692 189 A CB -0.314 18.673 19.000 -0.022 0.000 0.799 189 A HN 0.690 nan 8.150 nan 0.000 0.458 190 S N -0.452 115.227 115.700 -0.035 0.000 2.505 190 S HA 0.103 4.572 4.470 -0.002 0.000 0.216 190 S C 0.945 175.531 174.600 -0.024 0.000 1.018 190 S CA -0.203 57.985 58.200 -0.020 0.000 0.911 190 S CB -0.289 62.907 63.200 -0.006 0.000 0.818 190 S HN 0.715 nan 8.310 nan 0.000 0.497 191 R N 1.649 122.115 120.500 -0.057 0.000 2.594 191 R HA 0.319 4.658 4.340 -0.002 0.000 0.272 191 R C -1.074 175.211 176.300 -0.024 0.000 1.074 191 R CA -0.340 55.727 56.100 -0.053 0.000 1.105 191 R CB -0.021 30.186 30.300 -0.155 0.000 1.008 191 R HN 0.011 nan 8.270 nan 0.000 0.472 192 D N 3.424 123.840 120.400 0.028 0.000 2.339 192 D HA 0.129 4.768 4.640 -0.002 0.000 0.256 192 D C -1.633 174.716 176.300 0.082 0.000 1.214 192 D CA -2.385 51.642 54.000 0.045 0.000 0.877 192 D CB 1.474 42.307 40.800 0.054 0.000 1.111 192 D HN 0.326 nan 8.370 nan 0.000 0.478 193 P HA -0.187 nan 4.420 nan 0.000 0.216 193 P C 1.100 178.462 177.300 0.103 0.000 1.153 193 P CA 1.406 64.561 63.100 0.093 0.000 0.858 193 P CB 0.280 32.006 31.700 0.043 0.000 0.789 194 K N -0.576 119.854 120.400 0.050 0.000 1.984 194 K HA -0.068 4.251 4.320 -0.002 0.000 0.209 194 K C 2.113 178.717 176.600 0.006 0.000 1.046 194 K CA 1.270 57.563 56.287 0.010 0.000 0.934 194 K CB -0.819 31.681 32.500 -0.001 0.000 0.717 194 K HN 0.063 nan 8.250 nan 0.000 0.438 195 L N 0.004 121.252 121.223 0.043 0.000 2.127 195 L HA -0.227 4.112 4.340 -0.002 0.000 0.211 195 L C 2.442 179.365 176.870 0.088 0.000 1.089 195 L CA 1.103 55.974 54.840 0.052 0.000 0.757 195 L CB -0.452 41.652 42.059 0.075 0.000 0.899 195 L HN 0.275 nan 8.230 nan 0.000 0.434 196 Y N 0.631 120.935 120.300 0.007 0.000 2.200 196 Y HA -0.218 4.331 4.550 -0.002 0.000 0.290 196 Y C 2.461 178.375 175.900 0.023 0.000 1.137 196 Y CA 1.112 59.228 58.100 0.026 0.000 1.163 196 Y CB -0.278 38.194 38.460 0.021 0.000 0.988 196 Y HN 0.087 nan 8.280 nan 0.000 0.518 197 A N -0.067 122.709 122.820 -0.073 0.000 1.969 197 A HA -0.154 4.165 4.320 -0.002 0.000 0.218 197 A C 2.172 179.616 177.584 -0.234 0.000 1.169 197 A CA 1.955 53.883 52.037 -0.182 0.000 0.635 197 A CB -0.630 18.310 19.000 -0.100 0.000 0.810 197 A HN 0.573 nan 8.150 nan 0.000 0.445 198 M N -0.664 118.753 119.600 -0.305 0.000 2.492 198 M HA 0.054 4.533 4.480 -0.002 0.000 0.255 198 M C 0.246 176.234 176.300 -0.519 0.000 1.139 198 M CA 0.484 55.402 55.300 -0.638 0.000 1.096 198 M CB -0.031 32.102 32.600 -0.777 0.000 1.360 198 M HN 0.759 nan 8.290 nan 0.000 0.480 199 H N -0.503 118.477 119.070 -0.149 0.000 2.506 199 H HA -0.075 4.480 4.556 -0.002 0.000 0.323 199 H C -2.606 172.779 175.328 0.096 0.000 1.076 199 H CA -0.319 55.702 56.048 -0.044 0.000 1.108 199 H CB -2.315 27.381 29.762 -0.109 0.000 1.569 199 H HN 0.189 nan 8.280 nan 0.000 0.399 200 P HA -0.047 nan 4.420 nan 0.000 0.262 200 P C 0.285 177.778 177.300 0.321 0.000 1.199 200 P CA 0.114 63.356 63.100 0.237 0.000 0.763 200 P CB 0.370 32.240 31.700 0.284 0.000 0.790 201 W N 5.753 127.158 121.300 0.175 0.000 2.322 201 W HA 0.465 5.124 4.660 -0.002 0.000 0.307 201 W C -1.298 175.267 176.519 0.076 0.000 1.220 201 W CA -0.532 56.896 57.345 0.138 0.000 1.210 201 W CB 0.583 30.144 29.460 0.169 0.000 1.223 201 W HN 0.123 nan 8.180 nan 0.000 0.511 202 V N 4.550 124.625 119.914 0.267 0.000 3.204 202 V HA 0.579 4.698 4.120 -0.002 0.000 0.298 202 V C -0.753 175.328 176.094 -0.022 0.000 1.328 202 V CA -0.732 61.526 62.300 -0.069 0.000 1.035 202 V CB 2.410 34.123 31.823 -0.183 0.000 1.095 202 V HN 0.469 nan 8.190 nan 0.000 0.442 203 T N 0.723 115.213 114.554 -0.106 0.000 2.923 203 T HA 0.420 4.769 4.350 -0.002 0.000 0.311 203 T C 0.421 175.085 174.700 -0.059 0.000 1.183 203 T CA 0.260 62.331 62.100 -0.048 0.000 1.020 203 T CB 1.988 70.824 68.868 -0.054 0.000 1.165 203 T HN 0.599 nan 8.240 nan 0.000 0.482 204 S N 1.955 117.642 115.700 -0.021 0.000 2.486 204 S HA 0.181 4.650 4.470 -0.002 0.000 0.220 204 S C 0.680 175.272 174.600 -0.013 0.000 1.011 204 S CA 0.070 58.260 58.200 -0.017 0.000 0.921 204 S CB -0.050 63.150 63.200 0.001 0.000 0.785 204 S HN 0.625 nan 8.310 nan 0.000 0.517 205 K N 2.706 123.099 120.400 -0.012 0.000 2.494 205 K HA 0.053 4.372 4.320 -0.002 0.000 0.273 205 K C -2.453 174.136 176.600 -0.018 0.000 0.970 205 K CA -0.730 55.550 56.287 -0.012 0.000 0.963 205 K CB -0.091 32.399 32.500 -0.016 0.000 0.913 205 K HN 0.149 nan 8.250 nan 0.000 0.502 206 P HA 0.017 nan 4.420 nan 0.000 0.274 206 P C -0.341 176.942 177.300 -0.030 0.000 1.237 206 P CA -0.296 62.818 63.100 0.023 0.000 0.793 206 P CB 0.572 32.307 31.700 0.059 0.000 0.977 207 L N 3.252 124.438 121.223 -0.061 0.000 2.540 207 L HA 0.063 4.402 4.340 -0.002 0.000 0.276 207 L C -1.711 175.064 176.870 -0.158 0.000 1.212 207 L CA -1.251 53.437 54.840 -0.254 0.000 0.893 207 L CB -0.243 41.399 42.059 -0.696 0.000 1.138 207 L HN 0.296 nan 8.230 nan 0.000 0.491 208 P HA 0.022 nan 4.420 nan 0.000 0.270 208 P C 0.323 177.443 177.300 -0.300 0.000 1.223 208 P CA -0.271 62.607 63.100 -0.370 0.000 0.785 208 P CB 0.579 31.753 31.700 -0.878 0.000 0.923 209 E N 0.458 120.593 120.200 -0.108 0.000 2.049 209 E HA -0.258 4.091 4.350 -0.002 0.000 0.198 209 E C 1.591 178.194 176.600 0.006 0.000 1.007 209 E CA 1.704 58.129 56.400 0.043 0.000 0.809 209 E CB -0.603 29.155 29.700 0.095 0.000 0.749 209 E HN 0.651 nan 8.360 nan 0.000 0.450 210 Y N -0.726 119.600 120.300 0.044 0.000 2.680 210 Y HA 0.066 4.615 4.550 -0.002 0.000 0.303 210 Y C 1.525 177.409 175.900 -0.026 0.000 1.166 210 Y CA 0.358 58.458 58.100 -0.001 0.000 1.344 210 Y CB -0.254 38.178 38.460 -0.048 0.000 1.002 210 Y HN -0.037 nan 8.280 nan 0.000 0.537 211 L N -2.355 118.667 121.223 -0.335 0.000 2.609 211 L HA 0.135 4.474 4.340 -0.002 0.000 0.230 211 L C 1.482 178.236 176.870 -0.195 0.000 1.087 211 L CA 0.025 54.714 54.840 -0.252 0.000 0.874 211 L CB -0.119 41.697 42.059 -0.404 0.000 1.114 211 L HN 0.279 nan 8.230 nan 0.000 0.488 212 W N 1.571 122.787 121.300 -0.141 0.000 2.467 212 W HA -0.125 4.534 4.660 -0.002 0.000 0.275 212 W C 2.587 179.077 176.519 -0.049 0.000 1.239 212 W CA 0.534 57.828 57.345 -0.085 0.000 1.266 212 W CB 0.329 29.739 29.460 -0.083 0.000 1.112 212 W HN -0.006 nan 8.180 nan 0.000 0.576 213 K N 1.340 121.852 120.400 0.188 0.000 2.365 213 K HA -0.141 4.178 4.320 -0.002 0.000 0.199 213 K C 1.344 177.995 176.600 0.086 0.000 1.045 213 K CA 1.278 57.639 56.287 0.122 0.000 0.962 213 K CB -0.426 32.131 32.500 0.095 0.000 0.759 213 K HN 0.084 nan 8.250 nan 0.000 0.469 214 K N 1.184 121.619 120.400 0.059 0.000 2.505 214 K HA 0.116 4.435 4.320 -0.002 0.000 0.192 214 K C -0.189 176.440 176.600 0.048 0.000 1.025 214 K CA 0.125 56.428 56.287 0.026 0.000 1.086 214 K CB 0.057 32.544 32.500 -0.022 0.000 0.840 214 K HN 0.262 nan 8.250 nan 0.000 0.514 215 I N 0.648 121.281 120.570 0.105 0.000 2.641 215 I HA 0.173 4.342 4.170 -0.002 0.000 0.275 215 I C -0.151 176.068 176.117 0.171 0.000 1.129 215 I CA -0.402 60.986 61.300 0.146 0.000 1.094 215 I CB 1.717 39.821 38.000 0.175 0.000 1.232 215 I HN -0.205 nan 8.210 nan 0.000 0.503 216 A N 4.535 127.425 122.820 0.116 0.000 2.988 216 A HA 0.325 4.643 4.320 -0.002 0.000 0.288 216 A C 0.803 178.431 177.584 0.072 0.000 1.385 216 A CA -0.084 52.004 52.037 0.085 0.000 1.001 216 A CB -0.613 18.424 19.000 0.062 0.000 1.071 216 A HN 0.777 nan 8.150 nan 0.000 0.608 217 N N -1.112 117.639 118.700 0.085 0.000 1.899 217 N HA -0.076 4.663 4.740 -0.002 0.000 0.223 217 N C -0.118 175.424 175.510 0.052 0.000 1.411 217 N CA 0.106 53.194 53.050 0.063 0.000 0.737 217 N CB -1.081 37.454 38.487 0.080 0.000 1.100 217 N HN 0.292 nan 8.380 nan 0.000 0.527 218 N N 0.566 119.320 118.700 0.090 0.000 2.698 218 N HA -0.230 4.509 4.740 -0.002 0.000 0.258 218 N C -1.155 174.382 175.510 0.045 0.000 0.978 218 N CA 1.105 54.221 53.050 0.111 0.000 0.777 218 N CB -1.344 37.182 38.487 0.064 0.000 0.907 218 N HN 0.656 nan 8.380 nan 0.000 0.543 219 C N 1.331 120.637 119.300 0.011 0.000 2.811 219 C HA 0.703 5.162 4.460 -0.002 0.000 0.352 219 C C -0.419 174.469 174.990 -0.170 0.000 1.098 219 C CA -0.905 58.037 59.018 -0.126 0.000 1.295 219 C CB 1.062 28.670 27.740 -0.219 0.000 1.758 219 C HN 0.299 nan 8.230 nan 0.000 0.488 220 I N 4.276 124.715 120.570 -0.218 0.000 2.493 220 I HA 0.517 4.686 4.170 -0.002 0.000 0.298 220 I C -0.808 175.142 176.117 -0.278 0.000 0.998 220 I CA -0.461 60.752 61.300 -0.144 0.000 1.137 220 I CB 1.683 39.634 38.000 -0.081 0.000 1.310 220 I HN 0.549 nan 8.210 nan 0.000 0.445 221 F N 6.224 126.140 119.950 -0.057 0.000 2.385 221 F HA 0.425 4.951 4.527 -0.002 0.000 0.360 221 F C -0.019 175.726 175.800 -0.091 0.000 1.122 221 F CA -0.565 57.398 58.000 -0.062 0.000 1.090 221 F CB 0.733 39.695 39.000 -0.064 0.000 1.150 221 F HN 0.028 nan 8.300 nan 0.000 0.472 222 I N 4.637 125.231 120.570 0.039 0.000 2.378 222 I HA 0.303 4.472 4.170 -0.002 0.000 0.291 222 I C -0.390 175.729 176.117 0.003 0.000 0.992 222 I CA -0.950 60.340 61.300 -0.016 0.000 1.154 222 I CB 1.489 39.459 38.000 -0.050 0.000 1.315 222 I HN 0.141 nan 8.210 nan 0.000 0.448 223 V N 7.320 127.210 119.914 -0.040 0.000 2.277 223 V HA 0.371 4.490 4.120 -0.002 0.000 0.269 223 V C 0.468 176.663 176.094 0.168 0.000 1.036 223 V CA -0.479 61.856 62.300 0.059 0.000 0.821 223 V CB 0.674 32.511 31.823 0.024 0.000 1.052 223 V HN 0.452 nan 8.190 nan 0.000 0.462 224 I N 4.571 125.221 120.570 0.133 0.000 2.474 224 I HA 0.341 4.509 4.170 -0.002 0.000 0.287 224 I C 0.249 176.537 176.117 0.285 0.000 1.048 224 I CA -0.006 61.339 61.300 0.076 0.000 1.383 224 I CB 0.568 38.435 38.000 -0.221 0.000 1.412 224 I HN 0.544 nan 8.210 nan 0.000 0.531 225 H N 5.149 124.198 119.070 -0.035 0.000 2.710 225 H HA 0.649 5.204 4.556 -0.002 0.000 0.361 225 H C -0.612 174.706 175.328 -0.016 0.000 1.175 225 H CA -0.880 55.170 56.048 0.003 0.000 1.206 225 H CB 1.363 31.133 29.762 0.013 0.000 1.750 225 H HN 0.255 nan 8.280 nan 0.000 0.553 226 R N 1.181 121.742 120.500 0.101 0.000 3.107 226 R HA 0.147 4.486 4.340 -0.002 0.000 0.251 226 R C 0.261 176.587 176.300 0.044 0.000 1.818 226 R CA 0.451 56.586 56.100 0.059 0.000 1.228 226 R CB 0.117 30.441 30.300 0.040 0.000 1.459 226 R HN 1.025 nan 8.270 nan 0.000 0.520 227 S N -0.266 115.468 115.700 0.056 0.000 1.988 227 S HA -0.338 4.131 4.470 -0.002 0.000 0.231 227 S C 1.216 175.832 174.600 0.026 0.000 0.994 227 S CA 2.516 60.740 58.200 0.041 0.000 1.876 227 S CB -1.117 62.103 63.200 0.034 0.000 2.008 227 S HN 0.456 nan 8.310 nan 0.000 0.530 228 T N 2.806 117.362 114.554 0.004 0.000 3.286 228 T HA 0.332 4.681 4.350 -0.002 0.000 0.237 228 T C 1.071 175.730 174.700 -0.069 0.000 0.969 228 T CA 1.033 63.120 62.100 -0.021 0.000 1.298 228 T CB -0.312 68.548 68.868 -0.014 0.000 1.053 228 T HN 1.121 nan 8.240 nan 0.000 0.402 229 T N 2.092 116.611 114.554 -0.058 0.000 2.788 229 T HA 0.538 4.887 4.350 -0.002 0.000 0.287 229 T C -0.371 174.251 174.700 -0.130 0.000 1.007 229 T CA -0.579 61.473 62.100 -0.080 0.000 1.005 229 T CB 0.808 69.652 68.868 -0.039 0.000 1.012 229 T HN 0.432 nan 8.240 nan 0.000 0.530 230 S N 0.078 115.705 115.700 -0.122 0.000 2.511 230 S HA 0.351 4.820 4.470 -0.002 0.000 0.283 230 S C -1.316 173.276 174.600 -0.014 0.000 1.078 230 S CA -1.054 57.075 58.200 -0.120 0.000 0.994 230 S CB 1.118 64.035 63.200 -0.471 0.000 1.171 230 S HN 0.849 nan 8.310 nan 0.000 0.444 231 Q N 1.689 121.531 119.800 0.069 0.000 2.241 231 Q HA 0.608 4.947 4.340 -0.002 0.000 0.254 231 Q C -0.700 175.368 176.000 0.113 0.000 0.917 231 Q CA 0.014 55.859 55.803 0.069 0.000 0.919 231 Q CB 1.375 30.134 28.738 0.035 0.000 1.237 231 Q HN 0.715 nan 8.270 nan 0.000 0.434 232 T N 4.910 119.521 114.554 0.095 0.000 2.723 232 T HA 0.379 4.728 4.350 -0.002 0.000 0.297 232 T C -0.257 174.515 174.700 0.120 0.000 0.925 232 T CA -0.245 61.929 62.100 0.124 0.000 1.030 232 T CB -0.110 68.847 68.868 0.148 0.000 0.905 232 T HN 0.397 nan 8.240 nan 0.000 0.502 233 I N 3.369 123.997 120.570 0.096 0.000 2.385 233 I HA 0.311 4.479 4.170 -0.002 0.000 0.294 233 I C 0.482 176.569 176.117 -0.050 0.000 0.988 233 I CA -0.494 60.835 61.300 0.048 0.000 1.265 233 I CB 1.245 39.299 38.000 0.090 0.000 1.388 233 I HN 0.352 nan 8.210 nan 0.000 0.480 234 K N 4.270 124.602 120.400 -0.113 0.000 2.234 234 K HA 0.666 4.985 4.320 -0.002 0.000 0.277 234 K C -1.342 175.139 176.600 -0.198 0.000 1.038 234 K CA -0.268 55.850 56.287 -0.282 0.000 0.888 234 K CB 0.949 33.299 32.500 -0.250 0.000 1.091 234 K HN 0.364 nan 8.250 nan 0.000 0.467 235 V N 2.227 122.002 119.914 -0.232 0.000 2.709 235 V HA 0.271 4.389 4.120 -0.002 0.000 0.308 235 V C -0.504 175.527 176.094 -0.106 0.000 1.062 235 V CA -0.913 61.312 62.300 -0.125 0.000 0.901 235 V CB 2.002 33.770 31.823 -0.092 0.000 1.003 235 V HN 0.792 nan 8.190 nan 0.000 0.425 236 S N 4.997 120.668 115.700 -0.048 0.000 2.545 236 S HA 0.347 4.816 4.470 -0.002 0.000 0.275 236 S C -1.498 173.115 174.600 0.022 0.000 1.299 236 S CA -1.152 57.045 58.200 -0.005 0.000 1.048 236 S CB 1.385 64.594 63.200 0.015 0.000 0.938 236 S HN 0.581 nan 8.310 nan 0.000 0.496 237 P HA -0.120 nan 4.420 nan 0.000 0.218 237 P C -0.069 177.269 177.300 0.064 0.000 1.147 237 P CA 1.399 64.522 63.100 0.039 0.000 0.827 237 P CB -0.029 31.740 31.700 0.116 0.000 0.778 238 D N -2.240 118.214 120.400 0.091 0.000 2.339 238 D HA 0.012 4.650 4.640 -0.002 0.000 0.217 238 D C 0.015 176.355 176.300 0.067 0.000 1.050 238 D CA 0.241 54.291 54.000 0.083 0.000 0.856 238 D CB -0.387 40.464 40.800 0.085 0.000 0.922 238 D HN 0.179 nan 8.370 nan 0.000 0.518 239 D N 0.501 120.934 120.400 0.056 0.000 2.372 239 D HA 0.141 4.780 4.640 -0.002 0.000 0.243 239 D C 0.269 176.616 176.300 0.078 0.000 1.121 239 D CA 0.376 54.408 54.000 0.053 0.000 0.898 239 D CB 0.947 41.764 40.800 0.029 0.000 1.202 239 D HN -0.163 nan 8.370 nan 0.000 0.428 240 T N 2.067 116.670 114.554 0.082 0.000 2.907 240 T HA 0.232 4.581 4.350 -0.002 0.000 0.284 240 T C -1.478 173.275 174.700 0.089 0.000 1.004 240 T CA -1.573 60.595 62.100 0.113 0.000 1.063 240 T CB 1.647 70.575 68.868 0.100 0.000 0.992 240 T HN 0.116 nan 8.240 nan 0.000 0.483 241 P HA -0.143 nan 4.420 nan 0.000 0.215 241 P C 1.647 178.978 177.300 0.052 0.000 1.163 241 P CA 1.223 64.343 63.100 0.033 0.000 0.894 241 P CB -0.108 31.617 31.700 0.041 0.000 0.791 242 G N -0.406 108.444 108.800 0.083 0.000 2.442 242 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.219 242 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.219 242 G C 1.646 176.603 174.900 0.095 0.000 1.141 242 G CA 1.090 46.246 45.100 0.095 0.000 0.763 242 G HN 0.373 nan 8.290 nan 0.000 0.554 243 A N 1.279 124.146 122.820 0.079 0.000 1.898 243 A HA 0.047 4.366 4.320 -0.002 0.000 0.216 243 A C 2.379 180.005 177.584 0.069 0.000 1.181 243 A CA 1.437 53.518 52.037 0.072 0.000 0.620 243 A CB -0.395 18.641 19.000 0.061 0.000 0.819 243 A HN 0.732 nan 8.150 nan 0.000 0.442 244 I N -3.071 117.528 120.570 0.049 0.000 3.291 244 I HA 0.054 4.223 4.170 -0.002 0.000 0.279 244 I C 1.569 177.710 176.117 0.041 0.000 1.294 244 I CA 0.674 61.993 61.300 0.033 0.000 1.428 244 I CB -0.251 37.746 38.000 -0.006 0.000 1.070 244 I HN 0.147 nan 8.210 nan 0.000 0.478 245 L N 0.526 121.787 121.223 0.063 0.000 2.270 245 L HA -0.009 4.330 4.340 -0.002 0.000 0.210 245 L C 2.678 179.706 176.870 0.264 0.000 1.104 245 L CA 0.886 55.797 54.840 0.120 0.000 0.804 245 L CB -0.462 41.715 42.059 0.196 0.000 0.937 245 L HN 0.319 nan 8.230 nan 0.000 0.450 246 Q N -0.079 119.840 119.800 0.199 0.000 2.311 246 Q HA -0.101 4.238 4.340 -0.002 0.000 0.203 246 Q C 1.447 177.533 176.000 0.143 0.000 0.954 246 Q CA 1.292 57.206 55.803 0.186 0.000 0.885 246 Q CB 0.271 29.085 28.738 0.126 0.000 0.963 246 Q HN 0.498 nan 8.270 nan 0.000 0.471 247 S N -1.200 114.569 115.700 0.116 0.000 2.561 247 S HA 0.140 4.609 4.470 -0.002 0.000 0.245 247 S C 0.368 175.023 174.600 0.092 0.000 1.001 247 S CA -0.718 57.528 58.200 0.077 0.000 1.002 247 S CB 0.115 63.342 63.200 0.046 0.000 0.805 247 S HN 0.368 nan 8.310 nan 0.000 0.458 248 F N 0.573 120.471 119.950 -0.087 0.000 2.532 248 F HA 0.449 4.974 4.527 -0.002 0.000 0.276 248 F C 1.168 176.830 175.800 -0.229 0.000 0.911 248 F CA -0.230 57.638 58.000 -0.220 0.000 1.196 248 F CB 0.004 38.769 39.000 -0.392 0.000 1.087 248 F HN 0.222 nan 8.300 nan 0.000 0.775 249 F N 0.986 121.024 119.950 0.147 0.000 2.146 249 F HA -0.140 4.386 4.527 -0.001 0.000 0.298 249 F C 2.310 178.092 175.800 -0.030 0.000 1.096 249 F CA 1.803 59.822 58.000 0.032 0.000 1.275 249 F CB -0.857 38.206 39.000 0.105 0.000 1.008 249 F HN -0.102 nan 8.300 nan 0.000 0.480 250 T N -0.951 113.706 114.554 0.172 0.000 2.995 250 T HA -0.155 4.194 4.350 -0.002 0.000 0.269 250 T C 1.630 176.335 174.700 0.008 0.000 1.091 250 T CA 0.725 62.873 62.100 0.081 0.000 1.128 250 T CB -0.176 68.738 68.868 0.077 0.000 0.891 250 T HN 0.086 nan 8.240 nan 0.000 0.492 251 K N -0.130 120.243 120.400 -0.046 0.000 2.551 251 K HA 0.234 4.553 4.320 -0.002 0.000 0.204 251 K C 0.587 177.085 176.600 -0.170 0.000 1.033 251 K CA 0.078 56.304 56.287 -0.103 0.000 1.187 251 K CB 0.035 32.464 32.500 -0.118 0.000 0.900 251 K HN 0.205 nan 8.250 nan 0.000 0.499 252 M N -0.671 118.846 119.600 -0.139 0.000 2.893 252 M HA 0.264 4.743 4.480 -0.002 0.000 0.201 252 M C -0.141 176.122 176.300 -0.061 0.000 1.926 252 M CA 0.922 56.139 55.300 -0.139 0.000 1.302 252 M CB 0.045 32.529 32.600 -0.194 0.000 1.249 252 M HN 0.098 nan 8.290 nan 0.000 0.599 268 Q N 1.261 121.029 119.800 -0.053 0.000 2.579 268 Q HA 0.141 4.480 4.340 -0.002 0.000 0.344 268 Q C -0.980 175.047 176.000 0.045 0.000 0.997 268 Q CA 0.584 56.387 55.803 -0.000 0.000 0.991 268 Q CB 0.547 29.274 28.738 -0.020 0.000 1.279 268 Q HN 0.338 nan 8.270 nan 0.000 0.420 269 D N -2.294 118.135 120.400 0.049 0.000 2.822 269 D HA 0.167 4.806 4.640 -0.002 0.000 0.327 269 D C -0.347 175.856 176.300 -0.161 0.000 1.577 269 D CA -0.296 53.669 54.000 -0.059 0.000 0.785 269 D CB -0.369 40.350 40.800 -0.135 0.000 1.199 269 D HN -0.103 nan 8.370 nan 0.000 0.443 270 F N 0.172 120.169 119.950 0.078 0.000 2.377 270 F HA 0.742 5.269 4.527 -0.001 0.000 0.335 270 F C 0.294 176.140 175.800 0.077 0.000 1.099 270 F CA -1.166 56.890 58.000 0.093 0.000 1.072 270 F CB 1.459 40.553 39.000 0.156 0.000 1.417 270 F HN -0.099 nan 8.300 nan 0.000 0.495 271 V N 1.598 121.681 119.914 0.283 0.000 3.000 271 V HA 0.381 4.500 4.120 -0.002 0.000 0.300 271 V C -1.398 174.752 176.094 0.094 0.000 1.251 271 V CA -0.929 61.471 62.300 0.167 0.000 0.972 271 V CB 2.164 34.090 31.823 0.171 0.000 1.065 271 V HN 0.516 nan 8.190 nan 0.000 0.431 272 L N 6.104 127.337 121.223 0.017 0.000 2.369 272 L HA 0.559 4.898 4.340 -0.002 0.000 0.279 272 L C 0.289 177.081 176.870 -0.129 0.000 1.108 272 L CA 0.063 54.849 54.840 -0.090 0.000 0.852 272 L CB 0.577 42.548 42.059 -0.147 0.000 1.169 272 L HN 0.589 nan 8.230 nan 0.000 0.452 273 R N 2.639 123.002 120.500 -0.228 0.000 2.599 273 R HA 0.496 4.835 4.340 -0.002 0.000 0.295 273 R C -1.062 174.998 176.300 -0.400 0.000 0.963 273 R CA -0.732 55.089 56.100 -0.466 0.000 0.883 273 R CB 2.248 32.191 30.300 -0.594 0.000 1.171 273 R HN 0.334 nan 8.270 nan 0.000 0.450 274 V N 3.674 123.294 119.914 -0.490 0.000 2.585 274 V HA 0.002 4.121 4.120 -0.002 0.000 0.296 274 V C 0.374 176.244 176.094 -0.373 0.000 1.035 274 V CA -0.293 61.732 62.300 -0.457 0.000 1.084 274 V CB 0.839 32.155 31.823 -0.845 0.000 0.953 274 V HN 0.820 nan 8.190 nan 0.000 0.483 275 C N 5.446 124.600 119.300 -0.243 0.000 2.662 275 C HA 0.454 4.913 4.460 -0.002 0.000 0.402 275 C C 1.483 176.363 174.990 -0.183 0.000 1.397 275 C CA 0.816 59.711 59.018 -0.205 0.000 1.575 275 C CB -1.445 26.170 27.740 -0.209 0.000 2.406 275 C HN 1.336 nan 8.230 nan 0.000 0.609 276 G N 4.059 112.747 108.800 -0.186 0.000 2.159 276 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.227 276 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.227 276 G C -0.056 174.727 174.900 -0.195 0.000 0.986 276 G CA -0.141 44.868 45.100 -0.152 0.000 0.651 276 G HN 0.702 nan 8.290 nan 0.000 0.523 277 R N -0.970 119.362 120.500 -0.279 0.000 2.869 277 R HA 0.534 4.873 4.340 -0.002 0.000 0.263 277 R C -1.168 174.951 176.300 -0.301 0.000 1.066 277 R CA -0.884 55.033 56.100 -0.304 0.000 0.960 277 R CB 0.916 30.946 30.300 -0.451 0.000 1.221 277 R HN 0.028 nan 8.270 nan 0.000 0.474 278 D N 0.565 120.836 120.400 -0.215 0.000 2.889 278 D HA 0.095 4.734 4.640 -0.002 0.000 0.243 278 D C -0.954 175.283 176.300 -0.105 0.000 1.270 278 D CA 0.204 54.133 54.000 -0.118 0.000 0.838 278 D CB 0.352 41.166 40.800 0.023 0.000 1.040 278 D HN 0.166 nan 8.370 nan 0.000 0.480 279 E N -0.047 119.921 120.200 -0.388 0.000 2.195 279 E HA 0.407 4.756 4.350 -0.002 0.000 0.271 279 E C -1.454 174.826 176.600 -0.533 0.000 0.923 279 E CA -0.644 55.559 56.400 -0.328 0.000 0.790 279 E CB 0.809 30.281 29.700 -0.381 0.000 1.155 279 E HN 0.044 nan 8.360 nan 0.000 0.402 280 Y N 2.238 122.393 120.300 -0.243 0.000 2.499 280 Y HA 0.469 5.018 4.550 -0.002 0.000 0.347 280 Y C -0.868 174.941 175.900 -0.152 0.000 0.987 280 Y CA -1.112 56.873 58.100 -0.192 0.000 1.044 280 Y CB 1.262 39.614 38.460 -0.180 0.000 1.245 280 Y HN 0.306 nan 8.280 nan 0.000 0.461 281 L N 4.296 125.451 121.223 -0.113 0.000 2.335 281 L HA 0.628 4.967 4.340 -0.002 0.000 0.268 281 L C -0.675 176.087 176.870 -0.181 0.000 1.037 281 L CA -0.713 53.828 54.840 -0.498 0.000 0.895 281 L CB 0.208 41.857 42.059 -0.684 0.000 1.266 281 L HN 0.460 nan 8.230 nan 0.000 0.439 282 V N -0.731 119.280 119.914 0.162 0.000 3.216 282 V HA 1.035 5.154 4.120 -0.002 0.000 0.302 282 V C 0.164 176.446 176.094 0.314 0.000 1.286 282 V CA -0.801 61.628 62.300 0.215 0.000 1.048 282 V CB 1.288 33.186 31.823 0.125 0.000 1.081 282 V HN 0.830 nan 8.190 nan 0.000 0.442 283 G N 0.967 109.887 108.800 0.200 0.000 2.705 283 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.686 283 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.686 283 G C -0.594 174.396 174.900 0.150 0.000 1.285 283 G CA -0.498 44.691 45.100 0.148 0.000 0.800 283 G HN 1.032 nan 8.290 nan 0.000 0.611 284 E N 1.269 121.525 120.200 0.094 0.000 1.943 284 E HA 0.262 4.611 4.350 -0.002 0.000 0.254 284 E C 0.485 177.117 176.600 0.052 0.000 1.239 284 E CA 0.957 57.404 56.400 0.078 0.000 1.027 284 E CB -0.491 29.241 29.700 0.055 0.000 1.087 284 E HN 0.601 nan 8.360 nan 0.000 0.437 285 T N 2.567 117.169 114.554 0.080 0.000 2.952 285 T HA 0.379 4.728 4.350 -0.002 0.000 0.305 285 T C -2.711 172.054 174.700 0.109 0.000 1.064 285 T CA -1.675 60.415 62.100 -0.018 0.000 1.008 285 T CB 2.240 70.911 68.868 -0.328 0.000 1.078 285 T HN 0.022 nan 8.240 nan 0.000 0.459 286 P HA 0.277 nan 4.420 nan 0.000 0.281 286 P C 1.232 178.651 177.300 0.198 0.000 1.252 286 P CA -0.749 62.421 63.100 0.117 0.000 0.778 286 P CB 0.184 31.921 31.700 0.062 0.000 0.895 287 I N 2.890 123.615 120.570 0.258 0.000 2.290 287 I HA -0.359 3.810 4.170 -0.002 0.000 0.253 287 I C 1.867 178.109 176.117 0.210 0.000 1.112 287 I CA 1.856 63.346 61.300 0.317 0.000 1.377 287 I CB -1.288 36.765 38.000 0.088 0.000 1.060 287 I HN 0.324 nan 8.210 nan 0.000 0.428 288 K N 0.833 121.262 120.400 0.048 0.000 2.281 288 K HA -0.172 4.147 4.320 -0.002 0.000 0.203 288 K C 0.842 177.398 176.600 -0.073 0.000 1.046 288 K CA 1.914 58.150 56.287 -0.086 0.000 0.938 288 K CB -0.576 31.814 32.500 -0.184 0.000 0.737 288 K HN 0.383 nan 8.250 nan 0.000 0.458 289 N N 0.025 118.705 118.700 -0.033 0.000 2.295 289 N HA 0.166 4.905 4.740 -0.002 0.000 0.221 289 N C -1.310 174.054 175.510 -0.243 0.000 1.129 289 N CA 0.003 52.969 53.050 -0.140 0.000 0.836 289 N CB 0.136 38.517 38.487 -0.177 0.000 1.040 289 N HN 0.083 nan 8.380 nan 0.000 0.494 290 F N 0.605 120.520 119.950 -0.058 0.000 2.427 290 F HA 0.292 4.817 4.527 -0.002 0.000 0.346 290 F C 1.652 177.386 175.800 -0.109 0.000 1.120 290 F CA -0.752 57.228 58.000 -0.033 0.000 1.033 290 F CB 1.691 40.713 39.000 0.036 0.000 1.126 290 F HN -0.150 nan 8.300 nan 0.000 0.462 291 Q N 3.163 122.908 119.800 -0.092 0.000 2.170 291 Q HA -0.240 4.099 4.340 -0.002 0.000 0.203 291 Q C 2.129 178.054 176.000 -0.126 0.000 0.976 291 Q CA 1.361 56.937 55.803 -0.378 0.000 0.858 291 Q CB -0.277 27.699 28.738 -1.271 0.000 0.907 291 Q HN 0.881 nan 8.270 nan 0.000 0.433 292 W N 0.780 122.028 121.300 -0.087 0.000 2.355 292 W HA -0.188 4.472 4.660 -0.001 0.000 0.309 292 W C 1.715 178.258 176.519 0.041 0.000 1.206 292 W CA 1.369 58.729 57.345 0.025 0.000 1.284 292 W CB 0.075 29.568 29.460 0.055 0.000 1.145 292 W HN -0.061 nan 8.180 nan 0.000 0.502 293 V N 1.820 121.756 119.914 0.038 0.000 2.255 293 V HA -0.337 3.782 4.120 -0.002 0.000 0.247 293 V C 2.556 178.535 176.094 -0.192 0.000 1.051 293 V CA 2.299 64.539 62.300 -0.099 0.000 1.018 293 V CB -1.078 30.751 31.823 0.010 0.000 0.641 293 V HN 0.163 nan 8.190 nan 0.000 0.445 294 R N -0.550 119.860 120.500 -0.150 0.000 2.105 294 R HA -0.230 4.109 4.340 -0.002 0.000 0.239 294 R C 2.324 178.508 176.300 -0.194 0.000 1.135 294 R CA 1.981 57.970 56.100 -0.185 0.000 0.967 294 R CB -0.690 29.507 30.300 -0.171 0.000 0.861 294 R HN 0.728 nan 8.270 nan 0.000 0.442 295 H N 0.404 119.290 119.070 -0.307 0.000 2.353 295 H HA -0.106 4.449 4.556 -0.002 0.000 0.300 295 H C 1.978 177.066 175.328 -0.401 0.000 1.090 295 H CA 1.922 57.763 56.048 -0.345 0.000 1.327 295 H CB -0.317 29.203 29.762 -0.404 0.000 1.383 295 H HN 0.155 nan 8.280 nan 0.000 0.508 296 C N 0.312 119.173 119.300 -0.732 0.000 2.432 296 C HA -0.078 4.381 4.460 -0.002 0.000 0.277 296 C C 2.987 177.732 174.990 -0.408 0.000 1.249 296 C CA 0.939 59.565 59.018 -0.654 0.000 1.725 296 C CB -1.227 26.206 27.740 -0.512 0.000 2.028 296 C HN 0.566 nan 8.230 nan 0.000 0.477 297 L N 0.923 121.962 121.223 -0.306 0.000 2.081 297 L HA -0.205 4.133 4.340 -0.002 0.000 0.212 297 L C 2.753 179.513 176.870 -0.184 0.000 1.080 297 L CA 1.564 56.276 54.840 -0.212 0.000 0.754 297 L CB -0.716 41.220 42.059 -0.205 0.000 0.893 297 L HN 0.388 nan 8.230 nan 0.000 0.433 298 K N -0.008 120.270 120.400 -0.203 0.000 2.283 298 K HA -0.111 4.208 4.320 -0.002 0.000 0.202 298 K C 1.273 177.777 176.600 -0.161 0.000 1.048 298 K CA 1.010 57.218 56.287 -0.133 0.000 0.948 298 K CB 0.081 32.526 32.500 -0.092 0.000 0.742 298 K HN 0.462 nan 8.250 nan 0.000 0.458 299 N N -0.819 117.732 118.700 -0.247 0.000 2.205 299 N HA 0.013 4.752 4.740 -0.002 0.000 0.201 299 N C 0.507 175.924 175.510 -0.155 0.000 1.128 299 N CA 0.693 53.616 53.050 -0.213 0.000 0.867 299 N CB 1.229 39.524 38.487 -0.320 0.000 0.996 299 N HN 0.313 nan 8.380 nan 0.000 0.503 300 G N 1.815 110.526 108.800 -0.149 0.000 2.155 300 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.257 300 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.257 300 G C 0.012 174.847 174.900 -0.107 0.000 0.983 300 G CA 0.263 45.299 45.100 -0.107 0.000 0.676 300 G HN 0.373 nan 8.290 nan 0.000 0.528 301 E N 0.292 120.398 120.200 -0.156 0.000 2.371 301 E HA 0.461 4.810 4.350 -0.002 0.000 0.257 301 E C 0.418 176.950 176.600 -0.114 0.000 1.134 301 E CA -0.214 56.112 56.400 -0.124 0.000 0.919 301 E CB 0.519 30.100 29.700 -0.198 0.000 1.025 301 E HN 0.617 nan 8.360 nan 0.000 0.438 302 E N 0.794 120.972 120.200 -0.035 0.000 2.235 302 E HA 0.343 4.692 4.350 -0.002 0.000 0.265 302 E C -0.862 175.669 176.600 -0.115 0.000 0.940 302 E CA -0.791 55.552 56.400 -0.095 0.000 0.819 302 E CB 1.324 30.950 29.700 -0.123 0.000 1.206 302 E HN 0.247 nan 8.360 nan 0.000 0.409 303 I N 2.372 122.839 120.570 -0.172 0.000 2.281 303 I HA 0.124 4.293 4.170 -0.002 0.000 0.293 303 I C -0.584 175.439 176.117 -0.157 0.000 1.085 303 I CA -0.023 61.231 61.300 -0.076 0.000 1.257 303 I CB -0.209 37.764 38.000 -0.046 0.000 1.430 303 I HN 0.338 nan 8.210 nan 0.000 0.489 304 H N 4.415 123.526 119.070 0.068 0.000 2.488 304 H HA 0.701 5.256 4.556 -0.002 0.000 0.322 304 H C -0.586 174.660 175.328 -0.136 0.000 1.078 304 H CA -0.534 55.472 56.048 -0.069 0.000 1.260 304 H CB 1.356 31.035 29.762 -0.139 0.000 1.425 304 H HN 0.260 nan 8.280 nan 0.000 0.471 305 V N 3.914 123.759 119.914 -0.116 0.000 2.841 305 V HA 0.266 4.385 4.120 -0.002 0.000 0.310 305 V C -0.720 175.271 176.094 -0.173 0.000 1.090 305 V CA -0.855 61.354 62.300 -0.151 0.000 0.930 305 V CB 2.716 34.460 31.823 -0.133 0.000 1.014 305 V HN 0.477 nan 8.190 nan 0.000 0.425 306 V N 4.888 124.701 119.914 -0.168 0.000 2.483 306 V HA 0.549 4.668 4.120 -0.002 0.000 0.295 306 V C -0.496 175.546 176.094 -0.087 0.000 1.035 306 V CA -0.653 61.589 62.300 -0.097 0.000 0.896 306 V CB 1.764 33.532 31.823 -0.092 0.000 0.986 306 V HN 0.736 nan 8.190 nan 0.000 0.447 307 L N 7.703 128.890 121.223 -0.059 0.000 2.302 307 L HA 0.513 4.852 4.340 -0.002 0.000 0.285 307 L C -0.248 176.684 176.870 0.104 0.000 1.090 307 L CA 0.304 55.116 54.840 -0.047 0.000 0.866 307 L CB 0.012 41.958 42.059 -0.187 0.000 1.244 307 L HN 0.863 nan 8.230 nan 0.000 0.435 308 D N 1.503 122.002 120.400 0.165 0.000 2.801 308 D HA 0.432 5.071 4.640 -0.002 0.000 0.277 308 D C -0.675 175.770 176.300 0.241 0.000 1.125 308 D CA -0.570 53.561 54.000 0.218 0.000 1.102 308 D CB 0.695 41.553 40.800 0.097 0.000 1.400 308 D HN 0.260 nan 8.370 nan 0.000 0.601 309 T N 0.433 115.062 114.554 0.125 0.000 2.889 309 T HA 0.513 4.862 4.350 -0.002 0.000 0.291 309 T C -2.376 172.360 174.700 0.059 0.000 0.995 309 T CA -1.012 61.098 62.100 0.017 0.000 1.092 309 T CB 0.980 69.826 68.868 -0.037 0.000 0.954 309 T HN 0.226 nan 8.240 nan 0.000 0.506 310 P HA 0.155 nan 4.420 nan 0.000 0.265 310 P C -2.210 175.070 177.300 -0.033 0.000 1.193 310 P CA -0.936 62.155 63.100 -0.015 0.000 0.765 310 P CB -0.414 31.254 31.700 -0.053 0.000 0.823 311 P HA 0.098 nan 4.420 nan 0.000 0.274 311 P C -0.513 176.752 177.300 -0.058 0.000 1.231 311 P CA -0.096 62.978 63.100 -0.044 0.000 0.790 311 P CB 0.557 32.227 31.700 -0.049 0.000 0.951 312 D N 2.348 122.722 120.400 -0.042 0.000 2.358 312 D HA 0.073 4.712 4.640 -0.002 0.000 0.258 312 D C -1.427 174.856 176.300 -0.027 0.000 1.223 312 D CA -1.919 52.059 54.000 -0.036 0.000 0.886 312 D CB 0.392 41.172 40.800 -0.033 0.000 1.120 312 D HN 0.096 nan 8.370 nan 0.000 0.482 313 P HA -0.157 nan 4.420 nan 0.000 0.217 313 P C 1.003 178.312 177.300 0.015 0.000 1.148 313 P CA 1.386 64.494 63.100 0.013 0.000 0.828 313 P CB 0.116 31.826 31.700 0.017 0.000 0.783 314 A N -0.316 122.502 122.820 -0.003 0.000 2.042 314 A HA -0.205 4.114 4.320 -0.002 0.000 0.222 314 A C 2.073 179.652 177.584 -0.008 0.000 1.167 314 A CA 1.458 53.490 52.037 -0.008 0.000 0.649 314 A CB -1.692 17.297 19.000 -0.017 0.000 0.809 314 A HN 0.187 nan 8.150 nan 0.000 0.457 315 L N -0.452 120.764 121.223 -0.012 0.000 2.353 315 L HA -0.121 4.218 4.340 -0.002 0.000 0.220 315 L C 0.562 177.434 176.870 0.005 0.000 1.133 315 L CA 0.960 55.788 54.840 -0.019 0.000 0.798 315 L CB -0.448 41.589 42.059 -0.037 0.000 0.922 315 L HN 0.362 nan 8.230 nan 0.000 0.445 316 D N 0.184 120.608 120.400 0.039 0.000 2.491 316 D HA 0.010 4.648 4.640 -0.002 0.000 0.228 316 D C 0.444 176.781 176.300 0.061 0.000 1.183 316 D CA 0.027 54.083 54.000 0.092 0.000 0.827 316 D CB 0.240 41.173 40.800 0.223 0.000 0.989 316 D HN 0.380 nan 8.370 nan 0.000 0.494 317 E N 1.544 121.758 120.200 0.023 0.000 2.351 317 E HA 0.105 4.454 4.350 -0.002 0.000 0.266 317 E C -0.332 176.266 176.600 -0.004 0.000 1.031 317 E CA -0.272 56.128 56.400 0.001 0.000 0.911 317 E CB 0.854 30.545 29.700 -0.015 0.000 0.986 317 E HN -0.203 nan 8.360 nan 0.000 0.446 318 V N 5.760 125.665 119.914 -0.016 0.000 2.583 318 V HA 0.138 4.257 4.120 -0.002 0.000 0.287 318 V C 0.796 176.853 176.094 -0.061 0.000 1.051 318 V CA -0.219 62.067 62.300 -0.023 0.000 1.010 318 V CB 0.894 32.702 31.823 -0.026 0.000 0.988 318 V HN 0.774 nan 8.190 nan 0.000 0.478 319 R N 4.313 124.747 120.500 -0.111 0.000 2.583 319 R HA 0.430 4.769 4.340 -0.002 0.000 0.268 319 R C -0.464 175.737 176.300 -0.165 0.000 1.101 319 R CA -0.777 55.208 56.100 -0.191 0.000 1.180 319 R CB 0.762 30.831 30.300 -0.386 0.000 1.128 319 R HN 0.558 nan 8.270 nan 0.000 0.568 320 K N 1.367 121.671 120.400 -0.160 0.000 2.297 320 K HA 0.112 4.431 4.320 -0.002 0.000 0.286 320 K C -0.365 176.165 176.600 -0.117 0.000 1.053 320 K CA -0.202 56.019 56.287 -0.110 0.000 0.940 320 K CB 1.135 33.584 32.500 -0.085 0.000 1.019 320 K HN 0.542 nan 8.250 nan 0.000 0.475 321 E N 1.435 121.596 120.200 -0.065 0.000 2.302 321 E HA 0.436 4.785 4.350 -0.002 0.000 0.255 321 E C 0.114 176.704 176.600 -0.016 0.000 1.099 321 E CA -0.464 55.918 56.400 -0.029 0.000 0.929 321 E CB 1.123 30.829 29.700 0.010 0.000 1.203 321 E HN 0.705 nan 8.360 nan 0.000 0.459 358 D N 1.402 121.824 120.400 0.036 0.000 2.398 358 D HA 0.088 4.727 4.640 -0.002 0.000 0.210 358 D C 0.661 176.977 176.300 0.027 0.000 1.094 358 D CA -0.001 54.016 54.000 0.028 0.000 0.839 358 D CB 0.333 41.142 40.800 0.015 0.000 0.963 358 D HN 0.474 nan 8.370 nan 0.000 0.506 359 R N 2.011 122.528 120.500 0.028 0.000 2.640 359 R HA 0.004 4.343 4.340 -0.002 0.000 0.270 359 R C -0.115 176.211 176.300 0.043 0.000 1.024 359 R CA 0.186 56.295 56.100 0.017 0.000 1.085 359 R CB 0.240 30.541 30.300 0.001 0.000 0.963 359 R HN -0.234 nan 8.270 nan 0.000 0.426 360 K N 3.968 124.391 120.400 0.039 0.000 2.382 360 K HA 0.028 4.347 4.320 -0.002 0.000 0.275 360 K C -0.117 176.558 176.600 0.125 0.000 1.009 360 K CA -0.110 56.233 56.287 0.092 0.000 0.970 360 K CB 0.265 32.813 32.500 0.080 0.000 0.934 360 K HN 0.509 nan 8.250 nan 0.000 0.479 361 F N 4.050 124.037 119.950 0.062 0.000 2.563 361 F HA 0.024 4.550 4.527 -0.002 0.000 0.363 361 F C 0.496 176.408 175.800 0.186 0.000 1.123 361 F CA 0.269 58.314 58.000 0.075 0.000 1.307 361 F CB 0.522 39.525 39.000 0.004 0.000 1.115 361 F HN 0.560 nan 8.300 nan 0.000 0.592 362 R N 3.893 123.856 120.500 -0.896 0.000 2.795 362 R HA 0.864 5.203 4.340 -0.002 0.000 0.268 362 R C -2.215 173.670 176.300 -0.693 0.000 1.041 362 R CA -1.206 54.580 56.100 -0.522 0.000 0.927 362 R CB 1.781 31.958 30.300 -0.204 0.000 1.235 362 R HN 0.652 nan 8.270 nan 0.000 0.463 363 V N 0.947 120.881 119.914 0.034 0.000 2.775 363 V HA 0.302 4.421 4.120 -0.002 0.000 0.295 363 V C -1.382 174.782 176.094 0.118 0.000 1.226 363 V CA -0.787 61.581 62.300 0.113 0.000 0.934 363 V CB 1.936 33.864 31.823 0.176 0.000 1.056 363 V HN 0.862 nan 8.190 nan 0.000 0.436 364 K N 6.984 127.224 120.400 -0.266 0.000 2.322 364 K HA 0.492 4.811 4.320 -0.002 0.000 0.283 364 K C -0.651 175.767 176.600 -0.303 0.000 1.042 364 K CA -0.483 55.365 56.287 -0.732 0.000 0.958 364 K CB 0.766 32.434 32.500 -1.386 0.000 0.984 364 K HN 0.619 nan 8.250 nan 0.000 0.473 365 I N 6.676 127.116 120.570 -0.217 0.000 2.306 365 I HA 0.172 4.341 4.170 -0.002 0.000 0.288 365 I C 1.173 177.274 176.117 -0.026 0.000 1.036 365 I CA -0.238 61.010 61.300 -0.086 0.000 1.221 365 I CB 0.872 38.817 38.000 -0.091 0.000 1.385 365 I HN 0.790 nan 8.210 nan 0.000 0.472 366 R N 3.758 124.245 120.500 -0.021 0.000 2.062 366 R HA 0.259 4.598 4.340 -0.002 0.000 0.226 366 R C 0.966 177.328 176.300 0.103 0.000 1.125 366 R CA 0.697 56.794 56.100 -0.006 0.000 0.966 366 R CB 0.190 30.466 30.300 -0.040 0.000 0.861 366 R HN 0.758 nan 8.270 nan 0.000 0.433 367 G N 0.473 109.368 108.800 0.159 0.000 2.321 367 G HA2 0.369 4.328 3.960 -0.002 0.000 0.296 367 G HA3 0.369 4.328 3.960 -0.002 0.000 0.296 367 G C -1.551 173.470 174.900 0.202 0.000 1.287 367 G CA -0.754 44.492 45.100 0.242 0.000 0.846 367 G HN 0.174 nan 8.290 nan 0.000 0.508 368 I N -2.850 117.823 120.570 0.172 0.000 3.002 368 I HA 0.901 5.070 4.170 -0.002 0.000 0.310 368 I C -1.684 174.439 176.117 0.010 0.000 1.087 368 I CA -0.985 60.366 61.300 0.085 0.000 1.017 368 I CB 2.884 40.969 38.000 0.142 0.000 1.226 368 I HN 0.408 nan 8.210 nan 0.000 0.443 369 D N 3.016 123.392 120.400 -0.040 0.000 2.966 369 D HA 0.554 5.193 4.640 -0.002 0.000 0.222 369 D C -1.820 174.435 176.300 -0.075 0.000 1.292 369 D CA -0.176 53.794 54.000 -0.050 0.000 0.907 369 D CB 3.262 44.027 40.800 -0.058 0.000 1.621 369 D HN 0.715 nan 8.370 nan 0.000 0.557 370 I N 3.465 124.002 120.570 -0.055 0.000 2.769 370 I HA 0.372 4.541 4.170 -0.002 0.000 0.298 370 I C -1.964 174.118 176.117 -0.058 0.000 1.128 370 I CA -2.413 58.847 61.300 -0.067 0.000 1.031 370 I CB 2.891 40.845 38.000 -0.076 0.000 1.235 370 I HN 0.105 nan 8.210 nan 0.000 0.423 371 P HA -0.004 nan 4.420 nan 0.000 0.215 371 P C -0.448 176.819 177.300 -0.055 0.000 1.157 371 P CA 0.905 63.979 63.100 -0.043 0.000 0.856 371 P CB -0.005 31.678 31.700 -0.029 0.000 0.786 372 V N -2.183 117.702 119.914 -0.048 0.000 2.482 372 V HA 0.391 4.510 4.120 -0.002 0.000 0.295 372 V C 0.653 176.715 176.094 -0.054 0.000 1.026 372 V CA -0.778 61.489 62.300 -0.054 0.000 0.856 372 V CB 1.149 32.954 31.823 -0.030 0.000 1.001 372 V HN -0.039 nan 8.190 nan 0.000 0.424 373 L N 2.218 123.369 121.223 -0.121 0.000 2.425 373 L HA 0.653 4.992 4.340 -0.002 0.000 0.215 373 L C -1.278 175.538 176.870 -0.091 0.000 1.065 373 L CA -0.104 54.648 54.840 -0.147 0.000 0.842 373 L CB -2.100 39.657 42.059 -0.503 0.000 1.033 373 L HN 0.473 nan 8.230 nan 0.000 0.474 374 P HA -0.033 nan 4.420 nan 0.000 0.266 374 P C -0.333 176.959 177.300 -0.013 0.000 1.162 374 P CA 0.762 63.826 63.100 -0.060 0.000 0.758 374 P CB 0.560 32.233 31.700 -0.045 0.000 0.774 375 R N 1.658 122.158 120.500 0.001 0.000 4.650 375 R HA 0.288 4.627 4.340 -0.002 0.000 0.128 375 R C 1.078 177.390 176.300 0.020 0.000 1.329 375 R CA -0.200 55.915 56.100 0.025 0.000 0.975 375 R CB -0.416 29.915 30.300 0.051 0.000 1.371 375 R HN 0.300 nan 8.270 nan 0.000 0.424 376 N N -1.398 117.317 118.700 0.025 0.000 2.500 376 N HA 0.109 4.848 4.740 -0.002 0.000 0.292 376 N C -0.936 174.587 175.510 0.022 0.000 0.775 376 N CA 1.024 54.087 53.050 0.021 0.000 1.052 376 N CB 1.005 39.508 38.487 0.025 0.000 1.737 376 N HN 0.193 nan 8.380 nan 0.000 1.182 377 T N 1.940 116.516 114.554 0.035 0.000 2.885 377 T HA 0.336 4.685 4.350 -0.002 0.000 0.285 377 T C -1.344 173.390 174.700 0.057 0.000 1.019 377 T CA -0.694 61.430 62.100 0.040 0.000 1.010 377 T CB 1.803 70.697 68.868 0.043 0.000 1.022 377 T HN 0.172 nan 8.240 nan 0.000 0.466 378 D N 2.789 123.221 120.400 0.053 0.000 2.402 378 D HA 0.172 4.811 4.640 -0.002 0.000 0.235 378 D C 0.129 176.499 176.300 0.117 0.000 1.226 378 D CA -0.443 53.602 54.000 0.075 0.000 0.918 378 D CB 0.347 41.173 40.800 0.044 0.000 1.043 378 D HN 0.214 nan 8.370 nan 0.000 0.506 379 L N 1.115 122.442 121.223 0.173 0.000 2.488 379 L HA 0.330 4.669 4.340 -0.002 0.000 0.249 379 L C 0.905 177.897 176.870 0.203 0.000 1.151 379 L CA -0.363 54.579 54.840 0.169 0.000 0.806 379 L CB 1.809 43.964 42.059 0.160 0.000 1.261 379 L HN 0.439 nan 8.230 nan 0.000 0.484 380 T N -0.207 114.445 114.554 0.165 0.000 2.810 380 T HA 0.492 4.841 4.350 -0.002 0.000 0.277 380 T C -0.775 174.002 174.700 0.128 0.000 0.973 380 T CA -0.372 61.832 62.100 0.173 0.000 0.949 380 T CB 1.089 70.061 68.868 0.174 0.000 1.075 380 T HN 0.338 nan 8.240 nan 0.000 0.537 381 V N 2.263 122.275 119.914 0.163 0.000 3.000 381 V HA 0.702 4.820 4.120 -0.002 0.000 0.300 381 V C -1.546 174.759 176.094 0.352 0.000 1.251 381 V CA -0.770 61.560 62.300 0.050 0.000 0.972 381 V CB 1.848 33.521 31.823 -0.249 0.000 1.065 381 V HN 0.901 nan 8.190 nan 0.000 0.431 382 F N 3.206 123.244 119.950 0.145 0.000 2.645 382 F HA 0.910 5.436 4.527 -0.002 0.000 0.310 382 F C -1.309 174.424 175.800 -0.112 0.000 1.102 382 F CA -1.140 56.871 58.000 0.020 0.000 0.952 382 F CB 1.562 40.546 39.000 -0.027 0.000 1.326 382 F HN 0.216 nan 8.300 nan 0.000 0.456 383 V N 1.238 121.029 119.914 -0.206 0.000 2.532 383 V HA 0.403 4.522 4.120 -0.002 0.000 0.295 383 V C -0.658 175.490 176.094 0.090 0.000 1.041 383 V CA -0.546 61.666 62.300 -0.146 0.000 0.926 383 V CB 1.550 33.166 31.823 -0.345 0.000 0.992 383 V HN 0.869 nan 8.190 nan 0.000 0.457 384 E N 3.270 123.577 120.200 0.180 0.000 2.207 384 E HA 0.619 4.968 4.350 -0.002 0.000 0.250 384 E C -0.533 176.178 176.600 0.184 0.000 0.890 384 E CA -0.598 55.939 56.400 0.228 0.000 0.749 384 E CB 1.360 31.294 29.700 0.390 0.000 1.193 384 E HN 0.841 nan 8.360 nan 0.000 0.423 385 A N 4.698 127.626 122.820 0.180 0.000 2.363 385 A HA 0.450 4.769 4.320 -0.002 0.000 0.270 385 A C -0.473 177.321 177.584 0.350 0.000 1.121 385 A CA -0.559 51.644 52.037 0.278 0.000 0.800 385 A CB 0.503 19.754 19.000 0.419 0.000 1.052 385 A HN 0.693 nan 8.150 nan 0.000 0.493 386 N N 1.884 120.715 118.700 0.218 0.000 2.352 386 N HA 0.312 5.051 4.740 -0.002 0.000 0.291 386 N C -1.140 174.341 175.510 -0.048 0.000 1.040 386 N CA -0.511 52.621 53.050 0.137 0.000 0.864 386 N CB 1.625 40.167 38.487 0.091 0.000 1.440 386 N HN 0.430 nan 8.380 nan 0.000 0.483 387 I N 1.905 122.362 120.570 -0.189 0.000 2.379 387 I HA 0.188 4.357 4.170 -0.002 0.000 0.290 387 I C 0.615 176.646 176.117 -0.143 0.000 1.063 387 I CA 0.137 61.247 61.300 -0.317 0.000 1.351 387 I CB -0.051 37.657 38.000 -0.485 0.000 1.410 387 I HN 0.287 nan 8.210 nan 0.000 0.505 388 Q N 4.961 124.691 119.800 -0.116 0.000 2.387 388 Q HA 0.473 4.812 4.340 -0.002 0.000 0.273 388 Q C -0.794 175.196 176.000 -0.017 0.000 1.089 388 Q CA -0.701 55.069 55.803 -0.054 0.000 0.824 388 Q CB 3.023 31.726 28.738 -0.060 0.000 1.367 388 Q HN 0.521 nan 8.270 nan 0.000 0.443 389 H N -0.097 118.896 119.070 -0.128 0.000 3.287 389 H HA 0.214 4.769 4.556 -0.002 0.000 0.329 389 H C -0.402 174.803 175.328 -0.205 0.000 1.130 389 H CA 0.694 56.638 56.048 -0.172 0.000 1.593 389 H CB 0.879 30.550 29.762 -0.152 0.000 1.916 389 H HN 0.930 nan 8.280 nan 0.000 0.503 390 G N 5.010 113.580 108.800 -0.385 0.000 2.351 390 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.297 390 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.297 390 G C 0.509 175.284 174.900 -0.208 0.000 1.054 390 G CA 0.708 45.606 45.100 -0.336 0.000 1.123 390 G HN 0.802 nan 8.290 nan 0.000 0.512 391 Q N -2.312 117.401 119.800 -0.146 0.000 2.393 391 Q HA -0.263 4.076 4.340 -0.002 0.000 0.235 391 Q C 0.646 176.617 176.000 -0.049 0.000 0.823 391 Q CA 2.122 57.873 55.803 -0.085 0.000 1.284 391 Q CB -0.721 27.962 28.738 -0.092 0.000 1.669 391 Q HN 0.937 nan 8.270 nan 0.000 0.597 392 Q N 1.050 120.826 119.800 -0.041 0.000 2.368 392 Q HA 0.408 4.747 4.340 -0.002 0.000 0.263 392 Q C -0.230 175.778 176.000 0.013 0.000 1.009 392 Q CA -0.356 55.446 55.803 -0.002 0.000 0.818 392 Q CB 1.408 30.162 28.738 0.028 0.000 1.239 392 Q HN 0.191 nan 8.270 nan 0.000 0.464 393 V N 3.408 123.331 119.914 0.015 0.000 2.479 393 V HA 0.105 4.224 4.120 -0.002 0.000 0.281 393 V C 0.814 176.920 176.094 0.020 0.000 1.031 393 V CA 0.143 62.454 62.300 0.019 0.000 1.038 393 V CB 0.307 32.151 31.823 0.035 0.000 0.981 393 V HN 0.907 nan 8.190 nan 0.000 0.478 394 L N 3.133 124.360 121.223 0.006 0.000 2.209 394 L HA 0.264 4.603 4.340 -0.002 0.000 0.207 394 L C 1.010 177.897 176.870 0.029 0.000 1.094 394 L CA 0.856 55.696 54.840 -0.001 0.000 0.790 394 L CB 0.133 42.167 42.059 -0.041 0.000 0.932 394 L HN 0.798 nan 8.230 nan 0.000 0.447 395 C N -0.949 118.391 119.300 0.066 0.000 3.302 395 C HA 0.416 4.875 4.460 -0.002 0.000 0.347 395 C C -1.444 173.728 174.990 0.304 0.000 1.218 395 C CA -0.724 58.406 59.018 0.185 0.000 1.234 395 C CB 1.910 29.805 27.740 0.258 0.000 1.551 395 C HN 0.439 nan 8.230 nan 0.000 0.501 396 Q N 4.076 124.066 119.800 0.317 0.000 2.280 396 Q HA 0.617 4.956 4.340 -0.002 0.000 0.259 396 Q C -1.241 174.789 176.000 0.049 0.000 0.964 396 Q CA -0.555 55.407 55.803 0.265 0.000 0.844 396 Q CB 1.249 30.064 28.738 0.128 0.000 1.334 396 Q HN 0.745 nan 8.270 nan 0.000 0.423 397 R N 2.158 122.610 120.500 -0.081 0.000 2.923 397 R HA 0.704 5.043 4.340 -0.002 0.000 0.252 397 R C -0.673 175.550 176.300 -0.129 0.000 1.130 397 R CA -0.740 55.201 56.100 -0.266 0.000 1.043 397 R CB 1.751 31.671 30.300 -0.635 0.000 1.205 397 R HN 0.740 nan 8.270 nan 0.000 0.495 398 R N -0.661 119.737 120.500 -0.169 0.000 2.629 398 R HA 0.255 4.594 4.340 -0.002 0.000 0.266 398 R C -0.656 175.517 176.300 -0.212 0.000 1.051 398 R CA -0.562 55.446 56.100 -0.154 0.000 0.895 398 R CB 2.247 32.407 30.300 -0.234 0.000 1.246 398 R HN 0.821 nan 8.270 nan 0.000 0.459 399 T N -1.013 113.384 114.554 -0.261 0.000 2.849 399 T HA 0.265 4.614 4.350 -0.002 0.000 0.284 399 T C 0.661 175.244 174.700 -0.194 0.000 1.004 399 T CA -0.775 61.114 62.100 -0.351 0.000 1.021 399 T CB 1.115 69.417 68.868 -0.944 0.000 1.013 399 T HN 0.578 nan 8.240 nan 0.000 0.527 400 S N 1.605 117.281 115.700 -0.039 0.000 2.566 400 S HA 0.308 4.777 4.470 -0.002 0.000 0.280 400 S C -2.560 172.207 174.600 0.280 0.000 1.343 400 S CA -1.004 57.251 58.200 0.091 0.000 1.036 400 S CB -0.613 62.687 63.200 0.167 0.000 0.866 400 S HN 0.725 nan 8.310 nan 0.000 0.526 401 P HA 0.515 nan 4.420 nan 0.000 0.286 401 P C -0.899 176.614 177.300 0.356 0.000 1.261 401 P CA -0.736 62.593 63.100 0.382 0.000 0.821 401 P CB 0.689 32.548 31.700 0.264 0.000 1.013 402 K N 2.300 122.923 120.400 0.371 0.000 2.395 402 K HA 0.570 4.889 4.320 -0.002 0.000 0.247 402 K C -2.684 173.985 176.600 0.116 0.000 0.973 402 K CA -2.404 53.954 56.287 0.119 0.000 0.828 402 K CB 1.446 33.842 32.500 -0.175 0.000 1.272 402 K HN 0.237 nan 8.250 nan 0.000 0.439 403 P HA 0.014 nan 4.420 nan 0.000 0.271 403 P C -0.735 176.670 177.300 0.174 0.000 1.216 403 P CA -0.286 62.882 63.100 0.113 0.000 0.771 403 P CB 0.234 31.972 31.700 0.064 0.000 0.864 404 F N 4.404 124.373 119.950 0.032 0.000 2.662 404 F HA 0.112 4.638 4.527 -0.002 0.000 0.343 404 F C 0.582 176.382 175.800 0.001 0.000 1.302 404 F CA -0.395 57.623 58.000 0.029 0.000 1.142 404 F CB -1.300 37.736 39.000 0.061 0.000 1.524 404 F HN 0.156 nan 8.300 nan 0.000 0.668 405 T N 0.395 115.016 114.554 0.112 0.000 2.912 405 T HA 0.295 4.644 4.350 -0.002 0.000 0.280 405 T C 1.094 175.745 174.700 -0.082 0.000 0.989 405 T CA -0.565 61.503 62.100 -0.054 0.000 0.995 405 T CB 1.294 70.136 68.868 -0.043 0.000 1.077 405 T HN 0.376 nan 8.240 nan 0.000 0.531 406 E N 0.049 120.173 120.200 -0.127 0.000 2.267 406 E HA -0.033 4.316 4.350 -0.002 0.000 0.197 406 E C 0.606 177.174 176.600 -0.053 0.000 0.998 406 E CA 1.000 57.331 56.400 -0.115 0.000 0.830 406 E CB 0.087 29.724 29.700 -0.105 0.000 0.751 406 E HN 0.768 nan 8.360 nan 0.000 0.491 407 E N 0.426 120.596 120.200 -0.050 0.000 2.244 407 E HA 0.306 4.655 4.350 -0.002 0.000 0.260 407 E C -1.546 174.999 176.600 -0.093 0.000 0.884 407 E CA -0.541 55.826 56.400 -0.054 0.000 0.777 407 E CB 1.319 30.981 29.700 -0.062 0.000 1.197 407 E HN -0.159 nan 8.360 nan 0.000 0.416 408 V N 5.490 125.328 119.914 -0.127 0.000 2.459 408 V HA 0.469 4.588 4.120 -0.002 0.000 0.295 408 V C -0.178 175.650 176.094 -0.443 0.000 1.029 408 V CA -0.749 61.340 62.300 -0.350 0.000 0.874 408 V CB 1.434 32.969 31.823 -0.480 0.000 0.985 408 V HN 0.672 nan 8.190 nan 0.000 0.438 409 L N 3.999 124.914 121.223 -0.512 0.000 2.377 409 L HA 0.395 4.734 4.340 -0.002 0.000 0.270 409 L C 0.336 177.011 176.870 -0.326 0.000 0.991 409 L CA -0.266 54.399 54.840 -0.292 0.000 0.851 409 L CB 1.774 43.734 42.059 -0.165 0.000 1.218 409 L HN 0.738 nan 8.230 nan 0.000 0.420 410 W N 1.064 122.345 121.300 -0.031 0.000 2.526 410 W HA 0.001 4.660 4.660 -0.002 0.000 0.294 410 W C 1.245 177.728 176.519 -0.060 0.000 1.181 410 W CA 0.296 57.621 57.345 -0.034 0.000 1.373 410 W CB 0.035 29.478 29.460 -0.028 0.000 1.112 410 W HN 0.828 nan 8.180 nan 0.000 0.545 411 N N 0.366 119.136 118.700 0.117 0.000 2.725 411 N HA -0.187 4.552 4.740 -0.002 0.000 0.251 411 N C -1.433 174.041 175.510 -0.060 0.000 1.031 411 N CA 0.489 53.526 53.050 -0.023 0.000 0.720 411 N CB -1.285 37.184 38.487 -0.029 0.000 0.930 411 N HN -0.201 nan 8.380 nan 0.000 0.543 412 V N 1.357 121.234 119.914 -0.061 0.000 2.487 412 V HA 0.442 4.561 4.120 -0.002 0.000 0.298 412 V C 0.192 176.182 176.094 -0.174 0.000 1.028 412 V CA -0.767 61.503 62.300 -0.050 0.000 0.860 412 V CB 1.030 32.889 31.823 0.061 0.000 0.991 412 V HN 0.304 nan 8.190 nan 0.000 0.427 413 W N 5.305 126.602 121.300 -0.006 0.000 2.253 413 W HA 0.495 5.154 4.660 -0.002 0.000 0.322 413 W C -0.116 176.357 176.519 -0.076 0.000 1.342 413 W CA -0.320 57.001 57.345 -0.041 0.000 1.218 413 W CB 0.573 30.006 29.460 -0.045 0.000 1.205 413 W HN 0.347 nan 8.180 nan 0.000 0.551 414 L N 3.667 124.995 121.223 0.176 0.000 2.277 414 L HA 0.266 4.605 4.340 -0.002 0.000 0.284 414 L C 0.093 176.956 176.870 -0.013 0.000 1.028 414 L CA -0.714 54.113 54.840 -0.021 0.000 0.835 414 L CB 0.909 42.888 42.059 -0.133 0.000 1.215 414 L HN 0.413 nan 8.230 nan 0.000 0.425 415 E N 2.857 123.026 120.200 -0.052 0.000 2.223 415 E HA 0.327 4.676 4.350 -0.002 0.000 0.282 415 E C -0.921 175.629 176.600 -0.083 0.000 1.046 415 E CA -0.392 55.989 56.400 -0.031 0.000 0.857 415 E CB 0.716 30.389 29.700 -0.044 0.000 1.055 415 E HN 0.262 nan 8.360 nan 0.000 0.409 416 F N 1.640 121.648 119.950 0.096 0.000 2.375 416 F HA 0.144 4.670 4.527 -0.002 0.000 0.317 416 F C 1.819 177.671 175.800 0.086 0.000 1.124 416 F CA 0.090 58.172 58.000 0.137 0.000 1.050 416 F CB 1.435 40.608 39.000 0.290 0.000 1.314 416 F HN 0.638 nan 8.300 nan 0.000 0.511 417 S N 0.172 116.042 115.700 0.282 0.000 2.421 417 S HA 0.123 4.592 4.470 -0.002 0.000 0.224 417 S C 0.779 175.461 174.600 0.137 0.000 1.035 417 S CA 0.031 58.321 58.200 0.150 0.000 0.953 417 S CB -0.211 63.048 63.200 0.099 0.000 0.810 417 S HN 0.268 nan 8.310 nan 0.000 0.497 418 I N 3.163 123.827 120.570 0.158 0.000 3.003 418 I HA 0.084 4.253 4.170 -0.002 0.000 0.294 418 I C 0.646 176.829 176.117 0.110 0.000 1.237 418 I CA 0.609 61.961 61.300 0.086 0.000 1.417 418 I CB -0.122 37.886 38.000 0.014 0.000 1.340 418 I HN 0.347 nan 8.210 nan 0.000 0.594 419 K N 4.702 125.141 120.400 0.066 0.000 2.166 419 K HA 0.365 4.684 4.320 -0.002 0.000 0.245 419 K C 0.969 177.615 176.600 0.076 0.000 0.967 419 K CA -0.979 55.353 56.287 0.076 0.000 0.863 419 K CB 1.704 34.232 32.500 0.046 0.000 1.107 419 K HN 0.214 nan 8.250 nan 0.000 0.436 420 I N 1.478 122.108 120.570 0.101 0.000 2.127 420 I HA -0.254 3.915 4.170 -0.002 0.000 0.241 420 I C 1.944 178.106 176.117 0.075 0.000 1.075 420 I CA 1.634 63.000 61.300 0.111 0.000 1.334 420 I CB -0.803 37.275 38.000 0.130 0.000 1.040 420 I HN 0.566 nan 8.210 nan 0.000 0.405 421 K N 1.085 121.523 120.400 0.063 0.000 2.097 421 K HA -0.151 4.168 4.320 -0.002 0.000 0.206 421 K C 1.523 178.135 176.600 0.020 0.000 1.049 421 K CA 1.136 57.451 56.287 0.046 0.000 0.933 421 K CB -0.509 32.010 32.500 0.032 0.000 0.717 421 K HN 0.303 nan 8.250 nan 0.000 0.442 422 D N 0.038 120.441 120.400 0.006 0.000 2.348 422 D HA -0.067 4.572 4.640 -0.002 0.000 0.216 422 D C 0.097 176.375 176.300 -0.037 0.000 0.970 422 D CA 0.287 54.273 54.000 -0.022 0.000 0.889 422 D CB 0.025 40.809 40.800 -0.027 0.000 0.912 422 D HN 0.168 nan 8.370 nan 0.000 0.524 423 L N 3.055 124.261 121.223 -0.028 0.000 2.477 423 L HA 0.133 4.472 4.340 -0.002 0.000 0.272 423 L C -2.013 174.848 176.870 -0.015 0.000 1.157 423 L CA -1.224 53.581 54.840 -0.058 0.000 0.889 423 L CB 0.410 42.419 42.059 -0.082 0.000 1.158 423 L HN -0.194 nan 8.230 nan 0.000 0.473 424 P HA 0.139 nan 4.420 nan 0.000 0.296 424 P C -0.833 176.536 177.300 0.115 0.000 1.306 424 P CA -0.882 62.241 63.100 0.038 0.000 0.818 424 P CB 1.200 32.861 31.700 -0.065 0.000 0.969 425 K N 2.334 122.829 120.400 0.159 0.000 2.547 425 K HA 0.029 4.348 4.320 -0.002 0.000 0.275 425 K C 1.128 177.858 176.600 0.216 0.000 1.001 425 K CA 1.724 58.120 56.287 0.183 0.000 1.111 425 K CB -0.774 31.836 32.500 0.184 0.000 0.832 425 K HN 0.845 nan 8.250 nan 0.000 0.485 426 G N 1.564 110.488 108.800 0.207 0.000 2.159 426 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.227 426 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.227 426 G C -0.037 174.814 174.900 -0.081 0.000 0.986 426 G CA -0.020 45.097 45.100 0.027 0.000 0.651 426 G HN 0.925 nan 8.290 nan 0.000 0.523 427 A N 0.471 123.287 122.820 -0.005 0.000 2.328 427 A HA 0.756 5.075 4.320 -0.002 0.000 0.284 427 A C 0.341 177.839 177.584 -0.143 0.000 1.160 427 A CA -0.248 51.763 52.037 -0.044 0.000 0.818 427 A CB 0.497 19.466 19.000 -0.051 0.000 1.087 427 A HN 0.758 nan 8.150 nan 0.000 0.504 428 L N 3.264 124.395 121.223 -0.152 0.000 2.265 428 L HA 0.255 4.594 4.340 -0.002 0.000 0.289 428 L C -0.288 176.484 176.870 -0.164 0.000 1.033 428 L CA -0.893 53.856 54.840 -0.152 0.000 0.814 428 L CB 1.255 43.243 42.059 -0.119 0.000 1.203 428 L HN 0.667 nan 8.230 nan 0.000 0.423 429 L N 5.431 126.548 121.223 -0.178 0.000 2.500 429 L HA 0.141 4.480 4.340 -0.002 0.000 0.272 429 L C 0.164 177.001 176.870 -0.055 0.000 1.149 429 L CA 0.654 55.406 54.840 -0.146 0.000 0.897 429 L CB 0.017 42.008 42.059 -0.114 0.000 1.178 429 L HN 0.614 nan 8.230 nan 0.000 0.473 430 N N 6.420 125.112 118.700 -0.014 0.000 2.518 430 N HA 0.272 5.011 4.740 -0.002 0.000 0.254 430 N C -1.541 174.018 175.510 0.082 0.000 0.979 430 N CA -0.516 52.556 53.050 0.037 0.000 0.930 430 N CB 0.794 39.294 38.487 0.022 0.000 1.152 430 N HN 0.627 nan 8.380 nan 0.000 0.505 431 L N 2.613 123.892 121.223 0.094 0.000 2.289 431 L HA 0.436 4.775 4.340 -0.002 0.000 0.285 431 L C 0.213 177.148 176.870 0.108 0.000 1.049 431 L CA -0.451 54.446 54.840 0.095 0.000 0.804 431 L CB 1.532 43.629 42.059 0.063 0.000 1.195 431 L HN 0.393 nan 8.230 nan 0.000 0.428 432 Q N 3.671 123.525 119.800 0.091 0.000 2.456 432 Q HA 0.660 4.999 4.340 -0.002 0.000 0.283 432 Q C -1.308 174.659 176.000 -0.056 0.000 1.084 432 Q CA -0.823 54.994 55.803 0.023 0.000 0.801 432 Q CB 3.404 32.126 28.738 -0.026 0.000 1.434 432 Q HN 0.490 nan 8.270 nan 0.000 0.419 433 I N 1.712 122.163 120.570 -0.199 0.000 2.447 433 I HA 0.404 4.573 4.170 -0.002 0.000 0.287 433 I C -1.346 174.494 176.117 -0.462 0.000 1.023 433 I CA -0.509 60.659 61.300 -0.219 0.000 1.083 433 I CB 1.127 39.105 38.000 -0.037 0.000 1.245 433 I HN 0.542 nan 8.210 nan 0.000 0.434 434 Y N 4.374 124.324 120.300 -0.583 0.000 2.621 434 Y HA 0.697 5.246 4.550 -0.002 0.000 0.334 434 Y C 0.350 175.889 175.900 -0.602 0.000 1.074 434 Y CA -0.682 57.064 58.100 -0.589 0.000 1.149 434 Y CB 1.638 39.639 38.460 -0.765 0.000 1.302 434 Y HN 0.592 nan 8.280 nan 0.000 0.501 461 L N 3.378 124.373 121.223 -0.380 0.000 2.435 461 L HA 0.395 4.734 4.340 -0.002 0.000 0.195 461 L C -0.429 176.071 176.870 -0.617 0.000 1.072 461 L CA 0.201 54.736 54.840 -0.509 0.000 0.833 461 L CB 0.154 41.891 42.059 -0.536 0.000 1.081 461 L HN 0.496 nan 8.230 nan 0.000 0.485 462 Y N -1.251 118.995 120.300 -0.089 0.000 2.570 462 Y HA 0.553 5.102 4.550 -0.002 0.000 0.345 462 Y C -0.791 175.134 175.900 0.041 0.000 1.014 462 Y CA -1.374 56.706 58.100 -0.033 0.000 1.063 462 Y CB 1.619 40.042 38.460 -0.061 0.000 1.272 462 Y HN -0.012 nan 8.280 nan 0.000 0.477 463 Y N -1.336 119.087 120.300 0.205 0.000 2.609 463 Y HA 0.857 5.406 4.550 -0.002 0.000 0.336 463 Y C -1.990 174.058 175.900 0.246 0.000 1.129 463 Y CA -1.531 56.656 58.100 0.145 0.000 1.040 463 Y CB 1.459 39.968 38.460 0.082 0.000 1.310 463 Y HN 0.608 nan 8.280 nan 0.000 0.460 464 V N 2.014 122.135 119.914 0.345 0.000 3.167 464 V HA 0.547 4.666 4.120 -0.002 0.000 0.293 464 V C -2.092 174.140 176.094 0.229 0.000 1.379 464 V CA -0.769 61.709 62.300 0.297 0.000 1.019 464 V CB 2.496 34.386 31.823 0.112 0.000 1.115 464 V HN 0.987 nan 8.190 nan 0.000 0.442 465 N N 3.377 122.199 118.700 0.204 0.000 2.240 465 N HA 0.703 5.442 4.740 -0.002 0.000 0.302 465 N C -1.625 173.909 175.510 0.040 0.000 1.106 465 N CA -0.363 52.745 53.050 0.097 0.000 0.778 465 N CB 2.472 41.004 38.487 0.074 0.000 1.431 465 N HN 0.585 nan 8.380 nan 0.000 0.479 466 L N 1.821 123.019 121.223 -0.041 0.000 2.372 466 L HA 0.480 4.819 4.340 -0.002 0.000 0.274 466 L C -0.807 175.986 176.870 -0.129 0.000 0.988 466 L CA -0.525 54.248 54.840 -0.111 0.000 0.833 466 L CB 1.129 43.043 42.059 -0.241 0.000 1.236 466 L HN 0.451 nan 8.230 nan 0.000 0.410 467 L N 5.645 126.796 121.223 -0.119 0.000 2.578 467 L HA -0.055 4.284 4.340 -0.002 0.000 0.279 467 L C 1.097 177.888 176.870 -0.132 0.000 1.227 467 L CA 0.395 55.144 54.840 -0.151 0.000 0.900 467 L CB 0.361 42.320 42.059 -0.167 0.000 1.144 467 L HN 0.774 nan 8.230 nan 0.000 0.496 468 L N 4.532 125.673 121.223 -0.136 0.000 2.307 468 L HA 0.171 4.510 4.340 -0.002 0.000 0.211 468 L C 0.433 177.272 176.870 -0.051 0.000 1.099 468 L CA 0.569 55.335 54.840 -0.124 0.000 0.816 468 L CB 0.202 42.126 42.059 -0.226 0.000 0.952 468 L HN 0.501 nan 8.230 nan 0.000 0.455 469 I N 0.133 120.694 120.570 -0.015 0.000 2.433 469 I HA 0.170 4.339 4.170 -0.002 0.000 0.292 469 I C -0.679 175.488 176.117 0.082 0.000 1.001 469 I CA -0.943 60.381 61.300 0.040 0.000 1.119 469 I CB 1.632 39.676 38.000 0.073 0.000 1.289 469 I HN -0.007 nan 8.210 nan 0.000 0.438 470 D N 4.771 125.181 120.400 0.016 0.000 2.348 470 D HA 0.035 4.674 4.640 -0.002 0.000 0.249 470 D C 1.300 177.515 176.300 -0.140 0.000 1.110 470 D CA -0.218 53.778 54.000 -0.006 0.000 0.967 470 D CB 0.512 41.219 40.800 -0.154 0.000 1.139 470 D HN 0.654 nan 8.370 nan 0.000 0.466 471 H N 0.368 119.409 119.070 -0.048 0.000 2.550 471 H HA -0.123 4.432 4.556 -0.002 0.000 0.292 471 H C 0.439 175.474 175.328 -0.487 0.000 1.072 471 H CA 0.798 56.636 56.048 -0.350 0.000 1.217 471 H CB -0.228 29.358 29.762 -0.294 0.000 1.355 471 H HN 0.391 nan 8.280 nan 0.000 0.586 472 R N -0.688 119.444 120.500 -0.613 0.000 2.546 472 R HA 0.116 4.455 4.340 -0.002 0.000 0.320 472 R C -0.300 176.056 176.300 0.094 0.000 1.021 472 R CA -0.159 55.788 56.100 -0.256 0.000 1.088 472 R CB 0.267 30.393 30.300 -0.289 0.000 1.278 472 R HN 0.137 nan 8.270 nan 0.000 0.557 473 F N -0.702 119.164 119.950 -0.140 0.000 2.871 473 F HA -0.303 4.223 4.527 -0.002 0.000 0.326 473 F C 0.227 176.020 175.800 -0.010 0.000 0.675 473 F CA 0.344 58.314 58.000 -0.050 0.000 1.188 473 F CB -1.635 37.353 39.000 -0.020 0.000 1.567 473 F HN 0.053 nan 8.300 nan 0.000 0.325 474 L N 0.985 122.256 121.223 0.081 0.000 2.436 474 L HA 0.328 4.667 4.340 -0.002 0.000 0.265 474 L C 0.508 177.410 176.870 0.052 0.000 1.168 474 L CA -0.792 54.094 54.840 0.077 0.000 0.815 474 L CB 0.716 42.785 42.059 0.018 0.000 1.109 474 L HN 0.050 nan 8.230 nan 0.000 0.462 475 L N 2.976 124.222 121.223 0.038 0.000 2.313 475 L HA 0.224 4.563 4.340 -0.002 0.000 0.282 475 L C 0.479 177.352 176.870 0.005 0.000 1.092 475 L CA 0.030 54.873 54.840 0.006 0.000 0.831 475 L CB 0.624 42.648 42.059 -0.057 0.000 1.159 475 L HN 0.446 nan 8.230 nan 0.000 0.442 476 R N 5.022 125.533 120.500 0.020 0.000 2.473 476 R HA 0.145 4.484 4.340 -0.002 0.000 0.315 476 R C -0.435 175.916 176.300 0.085 0.000 0.972 476 R CA 0.521 56.643 56.100 0.036 0.000 1.047 476 R CB 0.122 30.378 30.300 -0.073 0.000 0.932 476 R HN 0.760 nan 8.270 nan 0.000 0.411 477 R N 2.753 123.350 120.500 0.161 0.000 2.854 477 R HA 0.614 4.953 4.340 -0.002 0.000 0.271 477 R C -0.755 175.716 176.300 0.285 0.000 0.994 477 R CA 0.034 56.239 56.100 0.174 0.000 0.945 477 R CB 1.882 32.228 30.300 0.077 0.000 1.194 477 R HN 0.876 nan 8.270 nan 0.000 0.476 478 G N 1.597 110.532 108.800 0.225 0.000 2.466 478 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.316 478 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.316 478 G C -1.372 173.597 174.900 0.116 0.000 1.270 478 G CA -0.830 44.342 45.100 0.119 0.000 0.982 478 G HN 0.488 nan 8.290 nan 0.000 0.506 479 E N -0.106 120.041 120.200 -0.089 0.000 2.338 479 E HA 0.543 4.892 4.350 -0.002 0.000 0.272 479 E C -1.042 175.326 176.600 -0.387 0.000 1.029 479 E CA 0.326 56.659 56.400 -0.111 0.000 0.872 479 E CB 1.109 30.742 29.700 -0.112 0.000 1.015 479 E HN 0.403 nan 8.360 nan 0.000 0.417 480 Y N -0.146 120.127 120.300 -0.044 0.000 2.396 480 Y HA 0.259 4.808 4.550 -0.002 0.000 0.332 480 Y C -0.370 175.490 175.900 -0.066 0.000 1.034 480 Y CA -0.810 57.248 58.100 -0.070 0.000 1.057 480 Y CB 1.873 40.250 38.460 -0.138 0.000 1.220 480 Y HN 0.113 nan 8.280 nan 0.000 0.440 481 V N 5.749 125.694 119.914 0.052 0.000 2.350 481 V HA 0.445 4.563 4.120 -0.002 0.000 0.285 481 V C -0.561 175.532 176.094 -0.001 0.000 1.014 481 V CA -0.669 61.626 62.300 -0.008 0.000 0.831 481 V CB 1.159 32.962 31.823 -0.033 0.000 1.000 481 V HN 0.569 nan 8.190 nan 0.000 0.433 482 L N 4.932 126.117 121.223 -0.063 0.000 2.307 482 L HA 0.587 4.926 4.340 -0.002 0.000 0.284 482 L C -0.107 176.642 176.870 -0.201 0.000 1.023 482 L CA -0.591 54.225 54.840 -0.040 0.000 0.810 482 L CB 1.361 43.407 42.059 -0.020 0.000 1.231 482 L HN 0.532 nan 8.230 nan 0.000 0.423 483 H N 4.450 123.447 119.070 -0.122 0.000 2.552 483 H HA 0.446 5.001 4.556 -0.002 0.000 0.311 483 H C -0.485 174.619 175.328 -0.373 0.000 1.071 483 H CA -0.279 55.636 56.048 -0.222 0.000 1.307 483 H CB 1.618 31.244 29.762 -0.225 0.000 1.416 483 H HN 0.462 nan 8.280 nan 0.000 0.464 484 M N 2.362 121.788 119.600 -0.290 0.000 2.444 484 M HA 0.198 4.677 4.480 -0.002 0.000 0.319 484 M C -0.459 175.595 176.300 -0.411 0.000 1.183 484 M CA -0.628 54.484 55.300 -0.312 0.000 1.032 484 M CB 1.509 34.018 32.600 -0.152 0.000 1.569 484 M HN 0.416 nan 8.290 nan 0.000 0.468 485 W N 0.804 121.949 121.300 -0.259 0.000 2.303 485 W HA 0.440 5.099 4.660 -0.002 0.000 0.334 485 W C 0.160 176.562 176.519 -0.194 0.000 1.197 485 W CA -0.235 56.904 57.345 -0.343 0.000 1.262 485 W CB 0.477 29.476 29.460 -0.768 0.000 1.153 485 W HN 0.492 nan 8.180 nan 0.000 0.596 486 Q N 1.411 121.330 119.800 0.199 0.000 2.248 486 Q HA 0.471 4.810 4.340 -0.002 0.000 0.263 486 Q C -0.963 175.075 176.000 0.063 0.000 1.007 486 Q CA -0.841 54.987 55.803 0.041 0.000 0.877 486 Q CB 1.339 30.124 28.738 0.077 0.000 1.315 486 Q HN 0.311 nan 8.270 nan 0.000 0.454 487 I N 2.804 123.347 120.570 -0.044 0.000 2.321 487 I HA 0.130 4.299 4.170 -0.002 0.000 0.291 487 I C -0.132 175.994 176.117 0.015 0.000 0.998 487 I CA -0.251 61.073 61.300 0.039 0.000 1.227 487 I CB 1.315 39.305 38.000 -0.016 0.000 1.368 487 I HN 0.639 nan 8.210 nan 0.000 0.466 488 S N 4.858 120.595 115.700 0.061 0.000 2.498 488 S HA 0.403 4.872 4.470 -0.002 0.000 0.314 488 S C 0.578 175.201 174.600 0.039 0.000 1.141 488 S CA -0.746 57.485 58.200 0.053 0.000 1.087 488 S CB 0.274 63.520 63.200 0.075 0.000 1.178 488 S HN 0.792 nan 8.310 nan 0.000 0.533 498 N N 0.181 118.961 118.700 0.132 0.000 2.831 498 N HA 0.603 5.342 4.740 -0.002 0.000 0.276 498 N C 0.163 175.695 175.510 0.035 0.000 1.416 498 N CA 0.048 53.131 53.050 0.055 0.000 0.799 498 N CB 1.002 39.503 38.487 0.022 0.000 1.554 498 N HN 0.109 nan 8.380 nan 0.000 0.541 499 A N -0.604 122.236 122.820 0.033 0.000 2.067 499 A HA 0.002 4.321 4.320 -0.002 0.000 0.217 499 A C 1.012 178.621 177.584 0.043 0.000 1.156 499 A CA 1.045 53.112 52.037 0.050 0.000 0.683 499 A CB -0.646 18.286 19.000 -0.114 0.000 0.808 499 A HN 0.705 nan 8.150 nan 0.000 0.455 500 D N 0.358 120.703 120.400 -0.090 0.000 2.144 500 D HA -0.108 4.531 4.640 -0.002 0.000 0.200 500 D C 1.609 177.772 176.300 -0.229 0.000 0.978 500 D CA 1.004 54.822 54.000 -0.303 0.000 0.833 500 D CB -0.235 40.093 40.800 -0.786 0.000 0.961 500 D HN 0.413 nan 8.370 nan 0.000 0.470 501 K N 0.245 120.472 120.400 -0.289 0.000 2.360 501 K HA -0.053 4.266 4.320 -0.002 0.000 0.201 501 K C 1.724 178.208 176.600 -0.193 0.000 1.046 501 K CA 0.452 56.428 56.287 -0.518 0.000 0.940 501 K CB 0.059 32.240 32.500 -0.532 0.000 0.748 501 K HN 0.251 nan 8.250 nan 0.000 0.465 502 L N -0.031 121.168 121.223 -0.041 0.000 2.567 502 L HA 0.036 4.375 4.340 -0.002 0.000 0.225 502 L C 1.224 178.116 176.870 0.037 0.000 1.119 502 L CA 0.023 54.875 54.840 0.019 0.000 0.871 502 L CB -0.067 42.038 42.059 0.076 0.000 1.036 502 L HN -0.013 nan 8.230 nan 0.000 0.459 503 T N -0.150 114.403 114.554 -0.000 0.000 2.901 503 T HA 0.012 4.361 4.350 -0.002 0.000 0.301 503 T C 1.381 176.076 174.700 -0.009 0.000 1.012 503 T CA 0.309 62.324 62.100 -0.142 0.000 1.135 503 T CB 1.098 69.628 68.868 -0.564 0.000 0.936 503 T HN 0.352 nan 8.240 nan 0.000 0.539 504 S N 3.563 119.239 115.700 -0.040 0.000 2.515 504 S HA 0.189 4.658 4.470 -0.002 0.000 0.231 504 S C 1.007 175.681 174.600 0.122 0.000 0.987 504 S CA 0.102 58.311 58.200 0.014 0.000 0.936 504 S CB -0.279 62.859 63.200 -0.104 0.000 0.766 504 S HN 0.942 nan 8.310 nan 0.000 0.528 505 A N 2.517 125.409 122.820 0.120 0.000 2.440 505 A HA 0.511 4.830 4.320 -0.002 0.000 0.251 505 A C 0.759 178.582 177.584 0.398 0.000 1.089 505 A CA -0.080 52.082 52.037 0.209 0.000 0.779 505 A CB -0.047 19.043 19.000 0.150 0.000 1.022 505 A HN 0.593 nan 8.150 nan 0.000 0.492 506 T N 0.592 115.267 114.554 0.203 0.000 2.922 506 T HA 0.328 4.677 4.350 -0.002 0.000 0.285 506 T C 0.210 174.669 174.700 -0.403 0.000 1.005 506 T CA -0.882 61.200 62.100 -0.031 0.000 1.061 506 T CB 0.578 69.463 68.868 0.028 0.000 1.007 506 T HN 0.564 nan 8.240 nan 0.000 0.502 507 N N 2.978 121.058 118.700 -1.035 0.000 2.438 507 N HA 0.146 4.884 4.740 -0.002 0.000 0.267 507 N C -1.255 173.947 175.510 -0.513 0.000 1.222 507 N CA -2.129 50.162 53.050 -1.265 0.000 0.930 507 N CB 0.904 38.666 38.487 -1.208 0.000 1.083 507 N HN 0.397 nan 8.380 nan 0.000 0.476 508 P HA -0.079 nan 4.420 nan 0.000 0.221 508 P C 0.030 177.208 177.300 -0.203 0.000 1.150 508 P CA 0.645 63.635 63.100 -0.182 0.000 0.800 508 P CB 0.137 31.802 31.700 -0.058 0.000 0.787 509 D N 1.183 121.462 120.400 -0.203 0.000 2.540 509 D HA -0.037 4.602 4.640 -0.002 0.000 0.237 509 D C 0.979 177.133 176.300 -0.243 0.000 1.181 509 D CA 0.188 54.085 54.000 -0.171 0.000 1.119 509 D CB -0.155 40.578 40.800 -0.112 0.000 1.119 509 D HN 0.056 nan 8.370 nan 0.000 0.498 510 K N 1.237 121.430 120.400 -0.344 0.000 2.442 510 K HA -0.133 4.186 4.320 -0.002 0.000 0.198 510 K C 1.497 177.935 176.600 -0.271 0.000 1.042 510 K CA 0.563 56.496 56.287 -0.590 0.000 0.958 510 K CB 0.407 32.529 32.500 -0.629 0.000 0.766 510 K HN 0.453 nan 8.250 nan 0.000 0.474 511 E N 0.370 120.481 120.200 -0.148 0.000 2.166 511 E HA -0.043 4.306 4.350 -0.002 0.000 0.192 511 E C 1.326 177.904 176.600 -0.037 0.000 0.967 511 E CA 0.450 56.806 56.400 -0.073 0.000 0.840 511 E CB 0.376 30.038 29.700 -0.062 0.000 0.795 511 E HN 0.176 nan 8.360 nan 0.000 0.470 512 N N 0.370 119.048 118.700 -0.037 0.000 2.415 512 N HA -0.025 4.713 4.740 -0.002 0.000 0.174 512 N C 0.330 175.840 175.510 -0.000 0.000 1.048 512 N CA 0.481 53.525 53.050 -0.010 0.000 0.895 512 N CB 0.408 38.895 38.487 0.000 0.000 1.036 512 N HN 0.055 nan 8.380 nan 0.000 0.449 513 S N 0.673 116.368 115.700 -0.009 0.000 2.579 513 S HA 0.209 4.678 4.470 -0.002 0.000 0.275 513 S C 0.448 175.016 174.600 -0.054 0.000 1.345 513 S CA -0.659 57.532 58.200 -0.014 0.000 1.031 513 S CB 0.954 64.134 63.200 -0.034 0.000 0.892 513 S HN 0.163 nan 8.310 nan 0.000 0.529 514 M N 2.969 122.424 119.600 -0.242 0.000 2.243 514 M HA 0.396 4.875 4.480 -0.002 0.000 0.341 514 M C -0.215 175.879 176.300 -0.343 0.000 1.130 514 M CA 0.324 55.375 55.300 -0.416 0.000 1.162 514 M CB 0.654 32.632 32.600 -1.037 0.000 1.497 514 M HN 0.910 nan 8.290 nan 0.000 0.456 515 S N 5.541 121.029 115.700 -0.354 0.000 2.571 515 S HA 0.700 5.169 4.470 -0.002 0.000 0.284 515 S C -0.757 173.681 174.600 -0.269 0.000 1.128 515 S CA -1.040 56.876 58.200 -0.474 0.000 0.970 515 S CB 1.020 63.716 63.200 -0.840 0.000 1.039 515 S HN 0.933 nan 8.310 nan 0.000 0.485 516 I N 2.047 122.496 120.570 -0.201 0.000 2.577 516 I HA 0.652 4.821 4.170 -0.002 0.000 0.305 516 I C -0.799 175.273 176.117 -0.075 0.000 0.986 516 I CA -0.402 60.845 61.300 -0.088 0.000 1.189 516 I CB 2.029 40.005 38.000 -0.040 0.000 1.355 516 I HN 0.786 nan 8.210 nan 0.000 0.476 517 S N 7.561 123.246 115.700 -0.026 0.000 2.659 517 S HA 0.569 5.038 4.470 -0.002 0.000 0.312 517 S C -0.514 174.083 174.600 -0.005 0.000 1.114 517 S CA -0.561 57.627 58.200 -0.020 0.000 1.063 517 S CB 0.966 64.150 63.200 -0.027 0.000 0.996 517 S HN 0.532 nan 8.310 nan 0.000 0.478 518 I N 0.591 121.167 120.570 0.011 0.000 3.108 518 I HA 0.871 5.040 4.170 -0.002 0.000 0.312 518 I C -1.696 174.436 176.117 0.024 0.000 1.095 518 I CA -1.455 59.847 61.300 0.003 0.000 1.000 518 I CB 1.906 39.922 38.000 0.026 0.000 1.229 518 I HN 0.490 nan 8.210 nan 0.000 0.454 519 L N 3.745 124.955 121.223 -0.021 0.000 2.438 519 L HA 0.595 4.934 4.340 -0.002 0.000 0.270 519 L C -1.973 174.942 176.870 0.074 0.000 0.972 519 L CA -0.429 54.426 54.840 0.024 0.000 0.831 519 L CB 1.784 43.809 42.059 -0.057 0.000 1.273 519 L HN 0.551 nan 8.230 nan 0.000 0.405 520 L N 4.482 125.801 121.223 0.159 0.000 2.265 520 L HA 0.534 4.873 4.340 -0.002 0.000 0.289 520 L C -0.593 176.377 176.870 0.167 0.000 1.033 520 L CA 0.001 54.938 54.840 0.161 0.000 0.814 520 L CB 0.992 43.145 42.059 0.156 0.000 1.203 520 L HN 0.610 nan 8.230 nan 0.000 0.423 521 D N 3.434 123.947 120.400 0.187 0.000 2.404 521 D HA 0.368 5.007 4.640 -0.002 0.000 0.267 521 D C -0.695 175.623 176.300 0.029 0.000 1.194 521 D CA -0.079 53.994 54.000 0.121 0.000 0.910 521 D CB 0.560 41.461 40.800 0.168 0.000 1.090 521 D HN 0.395 nan 8.370 nan 0.000 0.511 526 P HA 0.414 nan 4.420 nan 0.000 0.328 526 P C 0.101 177.445 177.300 0.073 0.000 1.288 526 P CA -0.357 62.811 63.100 0.113 0.000 0.786 526 P CB 1.322 33.123 31.700 0.168 0.000 1.388 527 I N -2.793 117.816 120.570 0.065 0.000 6.224 527 I HA -0.221 3.948 4.170 -0.002 0.000 0.126 527 I C 0.359 176.465 176.117 -0.018 0.000 1.640 527 I CA 0.441 61.771 61.300 0.051 0.000 2.446 527 I CB -2.006 36.072 38.000 0.130 0.000 3.098 527 I HN 0.468 nan 8.210 nan 0.000 0.277 545 A N 1.692 124.495 122.820 -0.027 0.000 1.856 545 A HA -0.109 4.210 4.320 -0.002 0.000 0.234 545 A C -0.633 176.961 177.584 0.018 0.000 1.328 545 A CA 1.232 53.270 52.037 0.003 0.000 0.673 545 A CB -1.198 17.808 19.000 0.010 0.000 1.190 545 A HN 0.524 nan 8.150 nan 0.000 0.248 546 E N 2.110 122.313 120.200 0.006 0.000 2.283 546 E HA 0.737 5.086 4.350 -0.002 0.000 0.271 546 E C 0.640 177.219 176.600 -0.035 0.000 1.031 546 E CA -0.604 55.788 56.400 -0.012 0.000 0.868 546 E CB 0.630 30.319 29.700 -0.020 0.000 1.094 546 E HN 0.606 nan 8.360 nan 0.000 0.401 547 M N 4.212 123.747 119.600 -0.108 0.000 2.233 547 M HA 0.251 4.730 4.480 -0.002 0.000 0.350 547 M C -1.793 174.423 176.300 -0.140 0.000 1.176 547 M CA -1.692 53.474 55.300 -0.222 0.000 1.150 547 M CB 0.723 33.074 32.600 -0.414 0.000 1.530 547 M HN 0.366 nan 8.290 nan 0.000 0.459 548 P HA 0.084 nan 4.420 nan 0.000 0.274 548 P C -0.299 176.950 177.300 -0.085 0.000 1.291 548 P CA -0.067 62.989 63.100 -0.073 0.000 0.815 548 P CB -0.258 31.417 31.700 -0.042 0.000 0.897 549 N N 3.107 121.767 118.700 -0.067 0.000 2.471 549 N HA -0.312 4.427 4.740 -0.002 0.000 0.198 549 N C 1.380 176.855 175.510 -0.060 0.000 1.016 549 N CA 1.424 54.437 53.050 -0.062 0.000 0.915 549 N CB -0.256 38.207 38.487 -0.039 0.000 0.948 549 N HN 0.291 nan 8.380 nan 0.000 0.453 550 Q N -0.303 119.463 119.800 -0.056 0.000 2.250 550 Q HA 0.272 4.611 4.340 -0.002 0.000 0.200 550 Q C 1.835 177.803 176.000 -0.053 0.000 0.941 550 Q CA 0.672 56.449 55.803 -0.044 0.000 0.872 550 Q CB 0.112 28.834 28.738 -0.027 0.000 0.965 550 Q HN 0.505 nan 8.270 nan 0.000 0.480 551 L N -0.227 120.948 121.223 -0.080 0.000 2.179 551 L HA -0.018 4.321 4.340 -0.002 0.000 0.208 551 L C 2.395 179.183 176.870 -0.137 0.000 1.096 551 L CA 0.912 55.697 54.840 -0.090 0.000 0.779 551 L CB -0.360 41.632 42.059 -0.112 0.000 0.922 551 L HN 0.200 nan 8.230 nan 0.000 0.443 552 R N 1.214 121.608 120.500 -0.177 0.000 2.103 552 R HA -0.236 4.103 4.340 -0.002 0.000 0.242 552 R C 2.079 178.322 176.300 -0.095 0.000 1.142 552 R CA 1.819 57.824 56.100 -0.158 0.000 0.960 552 R CB -0.109 30.114 30.300 -0.127 0.000 0.858 552 R HN 0.234 nan 8.270 nan 0.000 0.439 553 K N -0.127 120.232 120.400 -0.068 0.000 2.288 553 K HA -0.107 4.212 4.320 -0.002 0.000 0.201 553 K C 2.251 178.829 176.600 -0.037 0.000 1.048 553 K CA 1.237 57.498 56.287 -0.044 0.000 0.956 553 K CB 0.046 32.527 32.500 -0.031 0.000 0.746 553 K HN 0.364 nan 8.250 nan 0.000 0.461 554 Q N 0.523 120.301 119.800 -0.036 0.000 2.020 554 Q HA -0.133 4.206 4.340 -0.002 0.000 0.198 554 Q C 2.121 178.108 176.000 -0.021 0.000 0.974 554 Q CA 1.026 56.818 55.803 -0.018 0.000 0.829 554 Q CB -0.037 28.700 28.738 -0.001 0.000 0.894 554 Q HN 0.184 nan 8.270 nan 0.000 0.433 555 L N 1.319 122.520 121.223 -0.036 0.000 1.956 555 L HA -0.265 4.074 4.340 -0.002 0.000 0.216 555 L C 2.012 178.834 176.870 -0.080 0.000 1.073 555 L CA 1.933 56.744 54.840 -0.049 0.000 0.762 555 L CB -0.291 41.718 42.059 -0.084 0.000 0.889 555 L HN 0.217 nan 8.230 nan 0.000 0.433 556 E N -1.000 119.140 120.200 -0.100 0.000 2.209 556 E HA -0.233 4.116 4.350 -0.002 0.000 0.196 556 E C 2.040 178.609 176.600 -0.052 0.000 0.993 556 E CA 0.887 57.224 56.400 -0.105 0.000 0.819 556 E CB -0.204 29.454 29.700 -0.069 0.000 0.745 556 E HN 0.672 nan 8.360 nan 0.000 0.477 557 A N 0.903 123.702 122.820 -0.034 0.000 1.897 557 A HA -0.112 4.207 4.320 -0.002 0.000 0.215 557 A C 2.093 179.671 177.584 -0.010 0.000 1.181 557 A CA 0.671 52.698 52.037 -0.017 0.000 0.620 557 A CB -0.355 18.638 19.000 -0.013 0.000 0.821 557 A HN 0.099 nan 8.150 nan 0.000 0.443 558 I N -0.054 120.510 120.570 -0.011 0.000 2.099 558 I HA -0.299 3.870 4.170 -0.002 0.000 0.239 558 I C 2.268 178.388 176.117 0.005 0.000 1.066 558 I CA 1.641 62.943 61.300 0.002 0.000 1.324 558 I CB -0.312 37.693 38.000 0.007 0.000 1.037 558 I HN 0.293 nan 8.210 nan 0.000 0.401 559 I N 0.626 121.187 120.570 -0.016 0.000 2.315 559 I HA -0.332 3.837 4.170 -0.002 0.000 0.251 559 I C 2.364 178.492 176.117 0.019 0.000 1.125 559 I CA 1.369 62.666 61.300 -0.005 0.000 1.392 559 I CB -0.424 37.530 38.000 -0.078 0.000 1.065 559 I HN 0.248 nan 8.210 nan 0.000 0.424 560 A N 0.067 122.891 122.820 0.007 0.000 2.235 560 A HA 0.018 4.337 4.320 -0.002 0.000 0.208 560 A C 1.140 178.733 177.584 0.014 0.000 1.172 560 A CA 0.730 52.776 52.037 0.014 0.000 0.786 560 A CB -0.856 18.148 19.000 0.006 0.000 0.804 560 A HN 0.458 nan 8.150 nan 0.000 0.479 561 T N -0.573 113.992 114.554 0.018 0.000 2.922 561 T HA 0.461 4.810 4.350 -0.002 0.000 0.285 561 T C -0.231 174.486 174.700 0.027 0.000 1.005 561 T CA -0.361 61.749 62.100 0.017 0.000 1.061 561 T CB 0.979 69.857 68.868 0.016 0.000 1.007 561 T HN 0.434 nan 8.240 nan 0.000 0.502 562 D N 1.449 121.861 120.400 0.019 0.000 2.378 562 D HA 0.163 4.802 4.640 -0.002 0.000 0.238 562 D C -1.755 174.570 176.300 0.041 0.000 1.180 562 D CA -1.400 52.615 54.000 0.025 0.000 0.895 562 D CB 0.048 40.853 40.800 0.009 0.000 1.192 562 D HN 0.179 nan 8.370 nan 0.000 0.438 563 P HA -0.086 nan 4.420 nan 0.000 0.218 563 P C 0.812 178.148 177.300 0.059 0.000 1.148 563 P CA 0.988 64.131 63.100 0.072 0.000 0.822 563 P CB 0.084 31.832 31.700 0.079 0.000 0.784 564 L N -1.738 119.510 121.223 0.041 0.000 2.629 564 L HA 0.130 4.469 4.340 -0.002 0.000 0.230 564 L C 0.780 177.661 176.870 0.019 0.000 1.151 564 L CA -0.342 54.515 54.840 0.028 0.000 0.924 564 L CB -0.992 41.082 42.059 0.025 0.000 1.137 564 L HN -0.062 nan 8.230 nan 0.000 0.457 565 N N 2.110 120.824 118.700 0.023 0.000 2.470 565 N HA 0.156 4.895 4.740 -0.002 0.000 0.268 565 N C -2.297 173.227 175.510 0.023 0.000 1.136 565 N CA -1.285 51.776 53.050 0.018 0.000 0.961 565 N CB 0.804 39.301 38.487 0.018 0.000 1.067 565 N HN -0.098 nan 8.380 nan 0.000 0.468 566 P HA 0.148 nan 4.420 nan 0.000 0.280 566 P C -0.760 176.552 177.300 0.020 0.000 1.244 566 P CA -0.161 62.948 63.100 0.016 0.000 0.784 566 P CB 0.819 32.524 31.700 0.009 0.000 0.913 567 L N 3.050 124.287 121.223 0.024 0.000 2.278 567 L HA 0.198 4.537 4.340 -0.002 0.000 0.287 567 L C 1.073 177.954 176.870 0.018 0.000 1.072 567 L CA -0.245 54.611 54.840 0.026 0.000 0.819 567 L CB 0.423 42.505 42.059 0.037 0.000 1.176 567 L HN 0.375 nan 8.230 nan 0.000 0.435 568 T N 1.655 116.219 114.554 0.016 0.000 2.748 568 T HA 0.059 4.408 4.350 -0.002 0.000 0.304 568 T C 1.372 176.078 174.700 0.010 0.000 1.041 568 T CA 0.109 62.215 62.100 0.011 0.000 1.033 568 T CB 1.319 70.193 68.868 0.011 0.000 0.995 568 T HN 0.749 nan 8.240 nan 0.000 0.536 569 A N 0.488 123.311 122.820 0.004 0.000 1.902 569 A HA -0.118 4.201 4.320 -0.002 0.000 0.217 569 A C 2.257 179.843 177.584 0.004 0.000 1.181 569 A CA 1.463 53.498 52.037 -0.002 0.000 0.623 569 A CB -0.625 18.370 19.000 -0.008 0.000 0.818 569 A HN 0.911 nan 8.150 nan 0.000 0.443 570 E N 0.143 120.348 120.200 0.009 0.000 2.038 570 E HA -0.244 4.105 4.350 -0.002 0.000 0.195 570 E C 1.519 178.138 176.600 0.030 0.000 1.000 570 E CA 1.702 58.112 56.400 0.016 0.000 0.803 570 E CB -0.267 29.442 29.700 0.015 0.000 0.750 570 E HN 0.569 nan 8.360 nan 0.000 0.448 571 D N 0.575 120.993 120.400 0.030 0.000 2.126 571 D HA -0.186 4.453 4.640 -0.002 0.000 0.190 571 D C 1.943 178.273 176.300 0.050 0.000 1.001 571 D CA 1.331 55.354 54.000 0.040 0.000 0.841 571 D CB -0.281 40.539 40.800 0.032 0.000 0.949 571 D HN 0.181 nan 8.370 nan 0.000 0.446 572 K N 0.373 120.797 120.400 0.039 0.000 2.097 572 K HA -0.088 4.231 4.320 -0.002 0.000 0.206 572 K C 2.079 178.723 176.600 0.074 0.000 1.049 572 K CA 0.841 57.153 56.287 0.043 0.000 0.933 572 K CB -0.043 32.462 32.500 0.007 0.000 0.717 572 K HN 0.257 nan 8.250 nan 0.000 0.442 573 E N 0.690 120.924 120.200 0.058 0.000 2.204 573 E HA -0.125 4.224 4.350 -0.002 0.000 0.194 573 E C 1.897 178.551 176.600 0.090 0.000 0.989 573 E CA 0.393 56.839 56.400 0.077 0.000 0.824 573 E CB 0.122 29.835 29.700 0.022 0.000 0.756 573 E HN 0.184 nan 8.360 nan 0.000 0.477 574 L N 0.686 121.966 121.223 0.096 0.000 2.022 574 L HA -0.133 4.206 4.340 -0.002 0.000 0.204 574 L C 2.206 179.179 176.870 0.171 0.000 1.076 574 L CA 0.990 55.925 54.840 0.157 0.000 0.749 574 L CB -0.584 41.575 42.059 0.166 0.000 0.903 574 L HN 0.217 nan 8.230 nan 0.000 0.439 575 L N -0.143 121.157 121.223 0.127 0.000 2.054 575 L HA -0.350 3.989 4.340 -0.002 0.000 0.220 575 L C 2.400 179.297 176.870 0.045 0.000 1.081 575 L CA 2.194 57.082 54.840 0.080 0.000 0.780 575 L CB -1.577 40.515 42.059 0.056 0.000 0.893 575 L HN 0.580 nan 8.230 nan 0.000 0.438 576 W N -0.553 120.682 121.300 -0.107 0.000 2.443 576 W HA -0.182 4.477 4.660 -0.002 0.000 0.296 576 W C 2.618 179.029 176.519 -0.180 0.000 1.202 576 W CA 1.283 58.528 57.345 -0.166 0.000 1.312 576 W CB -0.425 28.942 29.460 -0.155 0.000 1.120 576 W HN 0.349 nan 8.180 nan 0.000 0.536 577 H N -0.380 118.444 119.070 -0.409 0.000 2.389 577 H HA -0.140 4.415 4.556 -0.002 0.000 0.299 577 H C 0.218 175.023 175.328 -0.872 0.000 1.081 577 H CA 1.411 57.023 56.048 -0.726 0.000 1.345 577 H CB -0.587 28.710 29.762 -0.774 0.000 1.393 577 H HN 0.002 nan 8.280 nan 0.000 0.520 578 F N 1.029 120.855 119.950 -0.206 0.000 2.899 578 F HA 0.252 4.778 4.527 -0.002 0.000 0.308 578 F C 1.524 177.174 175.800 -0.250 0.000 1.221 578 F CA -0.587 57.288 58.000 -0.208 0.000 1.265 578 F CB 0.236 39.184 39.000 -0.086 0.000 1.253 578 F HN -0.104 nan 8.300 nan 0.000 0.534 579 R N -0.124 120.149 120.500 -0.377 0.000 2.162 579 R HA -0.261 4.078 4.340 -0.002 0.000 0.245 579 R C 1.317 177.384 176.300 -0.388 0.000 1.129 579 R CA 2.357 58.129 56.100 -0.546 0.000 0.940 579 R CB -0.630 29.080 30.300 -0.984 0.000 0.875 579 R HN 0.446 nan 8.270 nan 0.000 0.437 580 Y N -0.879 119.323 120.300 -0.163 0.000 2.516 580 Y HA -0.061 4.488 4.550 -0.002 0.000 0.291 580 Y C 2.228 178.123 175.900 -0.007 0.000 1.131 580 Y CA 0.707 58.757 58.100 -0.083 0.000 1.281 580 Y CB 0.147 38.557 38.460 -0.083 0.000 1.013 580 Y HN 0.096 nan 8.280 nan 0.000 0.554 581 E N -0.141 120.150 120.200 0.151 0.000 2.086 581 E HA -0.083 4.266 4.350 -0.002 0.000 0.190 581 E C 2.197 178.889 176.600 0.152 0.000 0.975 581 E CA 1.237 57.721 56.400 0.139 0.000 0.813 581 E CB -0.148 29.609 29.700 0.095 0.000 0.768 581 E HN 0.151 nan 8.360 nan 0.000 0.457 582 S N 0.583 116.320 115.700 0.062 0.000 2.383 582 S HA -0.164 4.305 4.470 -0.002 0.000 0.229 582 S C 1.909 176.571 174.600 0.103 0.000 1.030 582 S CA 1.043 59.258 58.200 0.026 0.000 1.002 582 S CB -0.366 62.777 63.200 -0.096 0.000 0.829 582 S HN 0.287 nan 8.310 nan 0.000 0.467 583 L N 1.407 122.643 121.223 0.022 0.000 2.265 583 L HA -0.063 4.276 4.340 -0.002 0.000 0.215 583 L C 1.849 178.923 176.870 0.340 0.000 1.117 583 L CA 1.385 56.278 54.840 0.088 0.000 0.782 583 L CB -0.213 41.840 42.059 -0.010 0.000 0.914 583 L HN 0.160 nan 8.230 nan 0.000 0.441 584 K N -1.233 119.337 120.400 0.284 0.000 2.439 584 K HA -0.001 4.318 4.320 -0.002 0.000 0.197 584 K C -0.154 176.512 176.600 0.109 0.000 1.041 584 K CA 0.377 56.780 56.287 0.193 0.000 0.970 584 K CB -0.096 32.465 32.500 0.103 0.000 0.773 584 K HN 0.462 nan 8.250 nan 0.000 0.479 585 H N 0.199 119.401 119.070 0.220 0.000 2.673 585 H HA 0.106 4.661 4.556 -0.002 0.000 0.293 585 H C -2.102 173.393 175.328 0.279 0.000 1.065 585 H CA -2.164 53.998 56.048 0.189 0.000 1.236 585 H CB 1.624 31.470 29.762 0.140 0.000 1.389 585 H HN -0.114 nan 8.280 nan 0.000 0.481 586 P HA -0.232 nan 4.420 nan 0.000 0.215 586 P C 1.438 178.849 177.300 0.185 0.000 1.163 586 P CA 1.503 64.619 63.100 0.026 0.000 0.894 586 P CB 0.344 31.984 31.700 -0.101 0.000 0.791 587 K N -0.793 119.714 120.400 0.178 0.000 2.360 587 K HA -0.083 4.236 4.320 -0.002 0.000 0.201 587 K C 1.952 178.693 176.600 0.234 0.000 1.046 587 K CA 1.344 57.736 56.287 0.176 0.000 0.940 587 K CB -0.569 32.005 32.500 0.123 0.000 0.748 587 K HN 0.125 nan 8.250 nan 0.000 0.465 588 A N 0.593 123.601 122.820 0.314 0.000 2.066 588 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 588 A C 1.569 179.340 177.584 0.312 0.000 1.157 588 A CA 0.799 52.994 52.037 0.264 0.000 0.670 588 A CB -0.431 18.694 19.000 0.208 0.000 0.804 588 A HN 0.170 nan 8.150 nan 0.000 0.453 589 Y N 0.384 120.772 120.300 0.146 0.000 2.053 589 Y HA -0.135 4.414 4.550 -0.002 0.000 0.277 589 Y C -0.077 175.967 175.900 0.241 0.000 1.159 589 Y CA 1.736 59.937 58.100 0.168 0.000 1.125 589 Y CB -2.032 36.544 38.460 0.192 0.000 0.969 589 Y HN 0.245 nan 8.280 nan 0.000 0.492 590 P HA -0.251 nan 4.420 nan 0.000 0.218 590 P C 1.428 178.986 177.300 0.430 0.000 1.165 590 P CA 2.438 65.713 63.100 0.292 0.000 0.922 590 P CB -0.072 31.771 31.700 0.239 0.000 0.794 591 K N -1.288 119.273 120.400 0.269 0.000 2.148 591 K HA -0.100 4.219 4.320 -0.002 0.000 0.204 591 K C 2.064 178.748 176.600 0.139 0.000 1.050 591 K CA 0.936 57.339 56.287 0.192 0.000 0.942 591 K CB -0.965 31.609 32.500 0.122 0.000 0.724 591 K HN 0.154 nan 8.250 nan 0.000 0.446 592 L N 0.116 121.368 121.223 0.049 0.000 2.044 592 L HA -0.018 4.321 4.340 -0.002 0.000 0.205 592 L C 1.878 178.659 176.870 -0.149 0.000 1.075 592 L CA 1.543 56.288 54.840 -0.159 0.000 0.747 592 L CB -0.439 41.333 42.059 -0.479 0.000 0.903 592 L HN -0.034 nan 8.230 nan 0.000 0.435 593 F N -0.774 119.305 119.950 0.215 0.000 2.558 593 F HA 0.014 4.540 4.527 -0.002 0.000 0.298 593 F C 2.316 178.428 175.800 0.520 0.000 1.119 593 F CA 0.748 58.967 58.000 0.365 0.000 1.451 593 F CB -0.381 38.887 39.000 0.448 0.000 1.091 593 F HN 0.008 nan 8.300 nan 0.000 0.563 594 S N -0.872 115.169 115.700 0.569 0.000 2.507 594 S HA -0.103 4.365 4.470 -0.002 0.000 0.235 594 S C 1.767 176.465 174.600 0.163 0.000 0.988 594 S CA 1.044 59.429 58.200 0.308 0.000 0.944 594 S CB -0.251 63.061 63.200 0.187 0.000 0.762 594 S HN 0.223 nan 8.310 nan 0.000 0.526 595 S N 0.719 116.474 115.700 0.092 0.000 2.540 595 S HA 0.215 4.684 4.470 -0.002 0.000 0.218 595 S C 0.486 174.939 174.600 -0.245 0.000 0.977 595 S CA -0.241 57.939 58.200 -0.034 0.000 0.918 595 S CB 0.253 63.464 63.200 0.019 0.000 0.806 595 S HN 0.179 nan 8.310 nan 0.000 0.496 596 V N 2.707 122.408 119.914 -0.354 0.000 2.715 596 V HA 0.128 4.247 4.120 -0.002 0.000 0.299 596 V C 0.377 175.977 176.094 -0.823 0.000 1.054 596 V CA -0.075 61.688 62.300 -0.895 0.000 1.077 596 V CB 0.797 31.738 31.823 -1.469 0.000 0.972 596 V HN 0.238 nan 8.190 nan 0.000 0.484 597 K N 4.003 123.896 120.400 -0.844 0.000 2.244 597 K HA 0.175 4.494 4.320 -0.002 0.000 0.263 597 K C -0.045 176.247 176.600 -0.513 0.000 1.103 597 K CA 0.003 55.974 56.287 -0.527 0.000 0.966 597 K CB 0.439 32.672 32.500 -0.445 0.000 1.429 597 K HN 0.685 nan 8.250 nan 0.000 0.434 598 W N 0.986 122.115 121.300 -0.286 0.000 2.678 598 W HA 0.014 4.673 4.660 -0.002 0.000 0.256 598 W C 1.829 178.136 176.519 -0.353 0.000 1.280 598 W CA -0.114 57.004 57.345 -0.379 0.000 1.345 598 W CB 0.195 29.269 29.460 -0.643 0.000 1.118 598 W HN 0.654 nan 8.180 nan 0.000 0.629 599 G N 0.377 109.122 108.800 -0.093 0.000 3.028 599 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.205 599 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.205 599 G C 0.221 175.055 174.900 -0.110 0.000 1.182 599 G CA -0.033 45.007 45.100 -0.100 0.000 0.860 599 G HN 0.217 nan 8.290 nan 0.000 0.507 600 Q N -0.926 118.787 119.800 -0.145 0.000 2.263 600 Q HA 0.218 4.557 4.340 -0.002 0.000 0.266 600 Q C 0.514 176.432 176.000 -0.136 0.000 1.002 600 Q CA -0.530 55.193 55.803 -0.133 0.000 0.790 600 Q CB 1.961 30.604 28.738 -0.158 0.000 1.272 600 Q HN 0.254 nan 8.270 nan 0.000 0.435 601 Q N 2.258 122.003 119.800 -0.092 0.000 2.077 601 Q HA -0.273 4.065 4.340 -0.002 0.000 0.206 601 Q C 1.050 176.985 176.000 -0.108 0.000 0.989 601 Q CA 2.157 57.908 55.803 -0.087 0.000 0.853 601 Q CB 0.287 28.998 28.738 -0.046 0.000 0.907 601 Q HN 0.708 nan 8.270 nan 0.000 0.418 602 E N -0.081 120.069 120.200 -0.084 0.000 2.058 602 E HA -0.206 4.143 4.350 -0.002 0.000 0.194 602 E C 1.990 178.546 176.600 -0.073 0.000 0.997 602 E CA 1.474 57.837 56.400 -0.061 0.000 0.801 602 E CB -0.111 29.567 29.700 -0.036 0.000 0.746 602 E HN 0.461 nan 8.360 nan 0.000 0.450 603 I N 0.108 120.591 120.570 -0.144 0.000 2.252 603 I HA -0.235 3.934 4.170 -0.002 0.000 0.245 603 I C 2.237 178.196 176.117 -0.264 0.000 1.102 603 I CA 0.582 61.754 61.300 -0.213 0.000 1.385 603 I CB -0.002 37.712 38.000 -0.476 0.000 1.064 603 I HN 0.009 nan 8.210 nan 0.000 0.414 604 V N 0.983 120.697 119.914 -0.334 0.000 2.407 604 V HA -0.300 3.818 4.120 -0.002 0.000 0.248 604 V C 2.617 178.468 176.094 -0.406 0.000 1.055 604 V CA 1.934 63.990 62.300 -0.407 0.000 1.049 604 V CB -0.894 30.722 31.823 -0.344 0.000 0.662 604 V HN 0.506 nan 8.190 nan 0.000 0.455 605 A N -0.537 122.141 122.820 -0.237 0.000 2.015 605 A HA -0.183 4.135 4.320 -0.002 0.000 0.219 605 A C 2.276 179.873 177.584 0.021 0.000 1.163 605 A CA 1.583 53.550 52.037 -0.117 0.000 0.646 605 A CB -0.294 18.679 19.000 -0.046 0.000 0.806 605 A HN 0.571 nan 8.150 nan 0.000 0.448 606 K N -0.937 119.492 120.400 0.048 0.000 2.137 606 K HA -0.030 4.289 4.320 -0.002 0.000 0.202 606 K C 1.902 178.601 176.600 0.166 0.000 1.052 606 K CA 1.447 57.813 56.287 0.132 0.000 0.961 606 K CB -0.294 32.336 32.500 0.217 0.000 0.741 606 K HN 0.415 nan 8.250 nan 0.000 0.452 607 T N 0.788 115.450 114.554 0.180 0.000 2.803 607 T HA -0.157 4.192 4.350 -0.002 0.000 0.269 607 T C 1.595 176.546 174.700 0.418 0.000 1.052 607 T CA 1.224 63.477 62.100 0.255 0.000 1.136 607 T CB -0.290 68.645 68.868 0.112 0.000 0.864 607 T HN 0.313 nan 8.240 nan 0.000 0.467 608 Y N 1.171 121.545 120.300 0.124 0.000 2.286 608 Y HA -0.076 4.473 4.550 -0.002 0.000 0.293 608 Y C 2.934 178.886 175.900 0.088 0.000 1.124 608 Y CA 0.245 58.412 58.100 0.111 0.000 1.178 608 Y CB -0.063 38.459 38.460 0.105 0.000 1.010 608 Y HN 0.236 nan 8.280 nan 0.000 0.536 609 Q N 0.359 120.306 119.800 0.246 0.000 2.124 609 Q HA -0.189 4.150 4.340 -0.002 0.000 0.202 609 Q C 2.284 178.365 176.000 0.135 0.000 0.977 609 Q CA 1.135 57.038 55.803 0.165 0.000 0.850 609 Q CB -0.101 28.723 28.738 0.144 0.000 0.901 609 Q HN 0.510 nan 8.270 nan 0.000 0.429 610 L N 0.316 121.588 121.223 0.082 0.000 1.990 610 L HA -0.248 4.091 4.340 -0.002 0.000 0.213 610 L C 2.128 179.038 176.870 0.067 0.000 1.072 610 L CA 1.397 56.219 54.840 -0.030 0.000 0.755 610 L CB -0.306 41.676 42.059 -0.129 0.000 0.889 610 L HN 0.342 nan 8.230 nan 0.000 0.432 611 L N -0.897 120.401 121.223 0.125 0.000 2.275 611 L HA -0.146 4.193 4.340 -0.002 0.000 0.215 611 L C 2.704 179.623 176.870 0.082 0.000 1.119 611 L CA 0.672 55.569 54.840 0.095 0.000 0.790 611 L CB -0.626 41.457 42.059 0.041 0.000 0.919 611 L HN 0.254 nan 8.230 nan 0.000 0.443 612 A N 0.960 123.837 122.820 0.094 0.000 1.978 612 A HA -0.147 4.172 4.320 -0.002 0.000 0.220 612 A C 1.400 179.044 177.584 0.100 0.000 1.170 612 A CA 0.973 53.062 52.037 0.087 0.000 0.636 612 A CB -0.383 18.674 19.000 0.094 0.000 0.810 612 A HN 0.501 nan 8.150 nan 0.000 0.448 613 R N -0.682 119.893 120.500 0.125 0.000 2.423 613 R HA 0.484 4.823 4.340 -0.002 0.000 0.293 613 R C -0.331 176.068 176.300 0.165 0.000 1.196 613 R CA -0.411 55.771 56.100 0.137 0.000 1.262 613 R CB 0.373 30.764 30.300 0.151 0.000 1.116 613 R HN 0.214 nan 8.270 nan 0.000 0.566 614 R N 1.593 122.196 120.500 0.172 0.000 2.696 614 R HA 0.090 4.429 4.340 -0.002 0.000 0.355 614 R C 0.241 176.694 176.300 0.255 0.000 1.138 614 R CA -0.052 56.194 56.100 0.243 0.000 1.059 614 R CB 0.462 30.897 30.300 0.224 0.000 1.380 614 R HN 0.639 nan 8.270 nan 0.000 0.578 615 E N -0.378 119.934 120.200 0.188 0.000 2.106 615 E HA -0.127 4.221 4.350 -0.002 0.000 0.192 615 E C 1.572 178.251 176.600 0.132 0.000 0.984 615 E CA 1.080 57.563 56.400 0.137 0.000 0.806 615 E CB 0.276 30.036 29.700 0.100 0.000 0.750 615 E HN 0.104 nan 8.360 nan 0.000 0.458 616 V N 1.359 121.374 119.914 0.168 0.000 2.379 616 V HA -0.201 3.918 4.120 -0.002 0.000 0.245 616 V C 1.973 178.147 176.094 0.133 0.000 1.044 616 V CA 1.383 63.764 62.300 0.135 0.000 1.036 616 V CB -0.590 31.329 31.823 0.160 0.000 0.664 616 V HN 0.514 nan 8.190 nan 0.000 0.453 617 W N 1.441 122.758 121.300 0.029 0.000 2.353 617 W HA -0.192 4.467 4.660 -0.002 0.000 0.319 617 W C 2.166 178.655 176.519 -0.050 0.000 1.207 617 W CA 2.105 59.410 57.345 -0.066 0.000 1.291 617 W CB -0.383 29.073 29.460 -0.007 0.000 1.159 617 W HN 0.341 nan 8.180 nan 0.000 0.478 618 D N 0.275 120.752 120.400 0.129 0.000 2.106 618 D HA -0.266 4.373 4.640 -0.002 0.000 0.191 618 D C 2.037 178.278 176.300 -0.099 0.000 0.997 618 D CA 2.044 56.051 54.000 0.012 0.000 0.834 618 D CB -0.846 40.016 40.800 0.103 0.000 0.956 618 D HN 0.351 nan 8.370 nan 0.000 0.448 619 Q N 0.499 120.264 119.800 -0.058 0.000 2.369 619 Q HA -0.012 4.327 4.340 -0.002 0.000 0.206 619 Q C 0.739 176.660 176.000 -0.131 0.000 0.963 619 Q CA 0.239 55.998 55.803 -0.073 0.000 0.894 619 Q CB 0.097 28.815 28.738 -0.033 0.000 0.965 619 Q HN 0.235 nan 8.270 nan 0.000 0.475 620 S N -0.056 115.518 115.700 -0.210 0.000 2.576 620 S HA 0.329 4.798 4.470 -0.002 0.000 0.272 620 S C 0.176 174.620 174.600 -0.260 0.000 1.352 620 S CA -0.509 57.539 58.200 -0.254 0.000 1.021 620 S CB 0.964 63.935 63.200 -0.382 0.000 0.887 620 S HN 0.235 nan 8.310 nan 0.000 0.542 621 A N 2.011 124.705 122.820 -0.211 0.000 2.409 621 A HA 0.475 4.794 4.320 -0.002 0.000 0.262 621 A C 0.135 177.574 177.584 -0.242 0.000 1.113 621 A CA -0.688 51.241 52.037 -0.181 0.000 0.790 621 A CB -0.171 18.756 19.000 -0.123 0.000 1.046 621 A HN 1.098 nan 8.150 nan 0.000 0.496 622 L N 2.227 123.317 121.223 -0.222 0.000 2.601 622 L HA 0.088 4.427 4.340 -0.002 0.000 0.277 622 L C -0.154 176.608 176.870 -0.180 0.000 1.219 622 L CA 0.850 55.552 54.840 -0.230 0.000 0.915 622 L CB 0.099 42.069 42.059 -0.149 0.000 1.160 622 L HN 0.687 nan 8.230 nan 0.000 0.494 623 D N 3.859 124.139 120.400 -0.199 0.000 2.492 623 D HA 0.204 4.843 4.640 -0.002 0.000 0.248 623 D C 0.698 176.921 176.300 -0.129 0.000 1.101 623 D CA -0.464 53.459 54.000 -0.129 0.000 0.840 623 D CB 1.802 42.533 40.800 -0.115 0.000 1.209 623 D HN 0.362 nan 8.370 nan 0.000 0.524 624 V N 3.971 123.800 119.914 -0.141 0.000 2.244 624 V HA -0.052 4.067 4.120 -0.002 0.000 0.244 624 V C 2.510 178.494 176.094 -0.183 0.000 1.042 624 V CA 2.133 64.282 62.300 -0.251 0.000 1.006 624 V CB -0.731 30.781 31.823 -0.519 0.000 0.641 624 V HN 0.756 nan 8.190 nan 0.000 0.446 625 G N -0.403 108.327 108.800 -0.116 0.000 2.507 625 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.221 625 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.221 625 G C 1.605 176.499 174.900 -0.011 0.000 1.119 625 G CA 1.158 46.233 45.100 -0.042 0.000 0.751 625 G HN 0.392 nan 8.290 nan 0.000 0.574 626 L N 0.473 121.690 121.223 -0.010 0.000 1.988 626 L HA -0.084 4.255 4.340 -0.002 0.000 0.207 626 L C 3.031 179.933 176.870 0.053 0.000 1.071 626 L CA 2.259 57.121 54.840 0.037 0.000 0.744 626 L CB -0.944 41.132 42.059 0.029 0.000 0.893 626 L HN 0.268 nan 8.230 nan 0.000 0.433 627 T N 0.317 114.884 114.554 0.021 0.000 2.699 627 T HA -0.241 4.108 4.350 -0.002 0.000 0.268 627 T C 2.005 176.696 174.700 -0.016 0.000 1.036 627 T CA 1.563 63.684 62.100 0.034 0.000 1.147 627 T CB -0.156 68.690 68.868 -0.037 0.000 0.862 627 T HN 0.203 nan 8.240 nan 0.000 0.446 628 M N 1.345 120.920 119.600 -0.042 0.000 2.065 628 M HA -0.113 4.366 4.480 -0.002 0.000 0.259 628 M C 2.461 178.763 176.300 0.002 0.000 1.071 628 M CA 1.593 56.880 55.300 -0.022 0.000 1.109 628 M CB -1.425 31.161 32.600 -0.024 0.000 1.313 628 M HN 0.325 nan 8.290 nan 0.000 0.408 629 Q N 0.112 119.921 119.800 0.015 0.000 2.224 629 Q HA -0.210 4.129 4.340 -0.002 0.000 0.213 629 Q C 2.092 178.086 176.000 -0.011 0.000 0.998 629 Q CA 1.378 57.212 55.803 0.051 0.000 0.895 629 Q CB -0.436 28.347 28.738 0.075 0.000 0.926 629 Q HN 0.521 nan 8.270 nan 0.000 0.417 630 L N -0.068 121.040 121.223 -0.192 0.000 2.275 630 L HA -0.128 4.211 4.340 -0.002 0.000 0.215 630 L C 1.792 178.552 176.870 -0.183 0.000 1.119 630 L CA 0.617 55.167 54.840 -0.483 0.000 0.790 630 L CB -0.143 41.686 42.059 -0.383 0.000 0.919 630 L HN 0.282 nan 8.230 nan 0.000 0.443 631 L N -0.501 120.704 121.223 -0.030 0.000 2.592 631 L HA 0.029 4.368 4.340 -0.002 0.000 0.227 631 L C 0.953 177.877 176.870 0.091 0.000 1.127 631 L CA -0.488 54.384 54.840 0.053 0.000 0.884 631 L CB -0.433 41.666 42.059 0.066 0.000 1.065 631 L HN 0.298 nan 8.230 nan 0.000 0.457 632 D N -0.350 120.050 120.400 -0.001 0.000 2.376 632 D HA -0.075 4.564 4.640 -0.002 0.000 0.268 632 D C 1.402 177.335 176.300 -0.612 0.000 1.252 632 D CA -0.181 53.558 54.000 -0.435 0.000 1.041 632 D CB 0.333 40.943 40.800 -0.317 0.000 1.109 632 D HN 0.158 nan 8.370 nan 0.000 0.552 633 C N -1.694 116.983 119.300 -1.039 0.000 2.539 633 C HA 0.200 4.659 4.460 -0.002 0.000 0.271 633 C C 1.176 175.930 174.990 -0.393 0.000 1.412 633 C CA -0.302 58.318 59.018 -0.663 0.000 1.729 633 C CB -1.982 25.421 27.740 -0.560 0.000 1.739 633 C HN 0.458 nan 8.230 nan 0.000 0.570 634 N N -0.341 118.101 118.700 -0.430 0.000 2.336 634 N HA 0.231 4.970 4.740 -0.002 0.000 0.189 634 N C -0.651 174.266 175.510 -0.988 0.000 1.113 634 N CA 0.338 52.991 53.050 -0.663 0.000 0.858 634 N CB -0.008 38.005 38.487 -0.790 0.000 0.970 634 N HN 0.569 nan 8.380 nan 0.000 0.471 635 F N -0.426 119.397 119.950 -0.211 0.000 2.646 635 F HA 0.333 4.858 4.527 -0.002 0.000 0.364 635 F C 0.435 176.038 175.800 -0.328 0.000 1.137 635 F CA -0.772 57.083 58.000 -0.242 0.000 1.085 635 F CB 1.519 40.431 39.000 -0.147 0.000 1.331 635 F HN -0.125 nan 8.300 nan 0.000 0.472 636 S N -0.013 115.421 115.700 -0.444 0.000 2.556 636 S HA -0.022 4.447 4.470 -0.002 0.000 0.216 636 S C 0.068 174.430 174.600 -0.396 0.000 0.970 636 S CA -0.286 57.613 58.200 -0.501 0.000 0.912 636 S CB -0.314 62.356 63.200 -0.883 0.000 0.790 636 S HN 0.628 nan 8.310 nan 0.000 0.504 637 D N 1.637 121.822 120.400 -0.358 0.000 2.264 637 D HA 0.144 4.783 4.640 -0.002 0.000 0.250 637 D C 1.120 177.381 176.300 -0.066 0.000 1.113 637 D CA -0.223 53.659 54.000 -0.197 0.000 0.871 637 D CB 0.805 41.415 40.800 -0.317 0.000 1.167 637 D HN 0.121 nan 8.370 nan 0.000 0.447 638 E N 2.980 123.189 120.200 0.016 0.000 2.023 638 E HA -0.295 4.054 4.350 -0.002 0.000 0.196 638 E C 0.972 177.536 176.600 -0.061 0.000 1.003 638 E CA 1.320 57.718 56.400 -0.002 0.000 0.809 638 E CB 0.115 29.829 29.700 0.023 0.000 0.755 638 E HN 0.541 nan 8.360 nan 0.000 0.449 639 N N 0.264 118.899 118.700 -0.109 0.000 2.171 639 N HA -0.126 4.613 4.740 -0.002 0.000 0.184 639 N C 2.111 177.490 175.510 -0.218 0.000 1.021 639 N CA 1.255 54.186 53.050 -0.199 0.000 0.854 639 N CB -0.248 38.002 38.487 -0.395 0.000 0.994 639 N HN 0.086 nan 8.380 nan 0.000 0.426 640 V N 2.204 121.990 119.914 -0.214 0.000 2.252 640 V HA -0.257 3.862 4.120 -0.002 0.000 0.249 640 V C 2.473 178.380 176.094 -0.312 0.000 1.056 640 V CA 1.701 63.764 62.300 -0.395 0.000 1.022 640 V CB -0.518 31.096 31.823 -0.349 0.000 0.641 640 V HN 0.284 nan 8.190 nan 0.000 0.445 641 R N -0.148 120.241 120.500 -0.185 0.000 2.096 641 R HA -0.103 4.236 4.340 -0.002 0.000 0.235 641 R C 2.454 178.688 176.300 -0.110 0.000 1.127 641 R CA 1.371 57.394 56.100 -0.128 0.000 0.968 641 R CB -0.632 29.633 30.300 -0.058 0.000 0.861 641 R HN 0.554 nan 8.270 nan 0.000 0.440 642 A N 1.992 124.750 122.820 -0.103 0.000 1.908 642 A HA -0.183 4.136 4.320 -0.002 0.000 0.218 642 A C 2.224 179.770 177.584 -0.064 0.000 1.181 642 A CA 1.727 53.721 52.037 -0.071 0.000 0.627 642 A CB -0.706 18.256 19.000 -0.064 0.000 0.818 642 A HN 0.493 nan 8.150 nan 0.000 0.445 643 I N -2.815 117.686 120.570 -0.115 0.000 2.394 643 I HA -0.031 4.138 4.170 -0.002 0.000 0.251 643 I C 2.355 178.547 176.117 0.124 0.000 1.136 643 I CA 1.369 62.638 61.300 -0.051 0.000 1.425 643 I CB -0.490 37.311 38.000 -0.330 0.000 1.079 643 I HN 0.171 nan 8.210 nan 0.000 0.425 644 A N 1.506 124.336 122.820 0.017 0.000 1.873 644 A HA -0.072 4.247 4.320 -0.002 0.000 0.215 644 A C 2.428 180.005 177.584 -0.012 0.000 1.186 644 A CA 2.030 54.121 52.037 0.089 0.000 0.616 644 A CB -1.135 17.852 19.000 -0.021 0.000 0.823 644 A HN 0.329 nan 8.150 nan 0.000 0.442 645 V N 0.629 120.490 119.914 -0.088 0.000 2.287 645 V HA -0.325 3.794 4.120 -0.002 0.000 0.248 645 V C 2.796 178.770 176.094 -0.200 0.000 1.053 645 V CA 2.294 64.460 62.300 -0.222 0.000 1.027 645 V CB -0.793 30.935 31.823 -0.159 0.000 0.646 645 V HN 0.781 nan 8.190 nan 0.000 0.447 646 Q N 0.175 119.948 119.800 -0.046 0.000 2.152 646 Q HA -0.329 4.010 4.340 -0.002 0.000 0.206 646 Q C 2.226 178.226 176.000 0.001 0.000 0.985 646 Q CA 2.284 58.096 55.803 0.015 0.000 0.863 646 Q CB -0.083 28.712 28.738 0.095 0.000 0.904 646 Q HN 0.503 nan 8.270 nan 0.000 0.422 647 K N 0.295 120.702 120.400 0.012 0.000 2.062 647 K HA 0.012 4.331 4.320 -0.002 0.000 0.205 647 K C 2.192 178.731 176.600 -0.102 0.000 1.051 647 K CA 0.795 57.041 56.287 -0.069 0.000 0.941 647 K CB -0.279 32.151 32.500 -0.116 0.000 0.719 647 K HN 0.227 nan 8.250 nan 0.000 0.440 648 L N 1.036 122.156 121.223 -0.172 0.000 2.081 648 L HA -0.244 4.095 4.340 -0.002 0.000 0.212 648 L C 1.999 178.849 176.870 -0.033 0.000 1.080 648 L CA 1.176 55.894 54.840 -0.203 0.000 0.754 648 L CB -0.573 41.144 42.059 -0.570 0.000 0.893 648 L HN 0.229 nan 8.230 nan 0.000 0.433 649 E N 0.175 120.355 120.200 -0.033 0.000 2.236 649 E HA -0.280 4.069 4.350 -0.002 0.000 0.205 649 E C 2.258 178.959 176.600 0.169 0.000 1.028 649 E CA 1.893 58.407 56.400 0.190 0.000 0.827 649 E CB -0.364 29.407 29.700 0.118 0.000 0.735 649 E HN 0.646 nan 8.360 nan 0.000 0.470 650 S N -0.264 115.487 115.700 0.086 0.000 2.558 650 S HA 0.043 4.512 4.470 -0.002 0.000 0.217 650 S C 1.047 175.698 174.600 0.085 0.000 0.975 650 S CA -0.257 57.982 58.200 0.064 0.000 0.912 650 S CB -0.201 63.004 63.200 0.009 0.000 0.776 650 S HN 0.054 nan 8.310 nan 0.000 0.526 651 L N 2.992 124.292 121.223 0.129 0.000 2.490 651 L HA 0.202 4.541 4.340 -0.002 0.000 0.274 651 L C 0.779 177.743 176.870 0.156 0.000 1.201 651 L CA -0.202 54.731 54.840 0.156 0.000 0.869 651 L CB 0.353 42.549 42.059 0.228 0.000 1.123 651 L HN 0.490 nan 8.230 nan 0.000 0.484 652 E N 1.680 121.962 120.200 0.136 0.000 2.280 652 E HA 0.126 4.475 4.350 -0.002 0.000 0.264 652 E C -0.376 176.316 176.600 0.152 0.000 1.064 652 E CA -0.882 55.593 56.400 0.126 0.000 0.900 652 E CB 1.100 30.860 29.700 0.099 0.000 1.123 652 E HN 0.472 nan 8.360 nan 0.000 0.418 653 D N 1.313 121.795 120.400 0.138 0.000 2.116 653 D HA -0.231 4.408 4.640 -0.002 0.000 0.193 653 D C 1.318 177.719 176.300 0.170 0.000 0.998 653 D CA 1.855 55.934 54.000 0.132 0.000 0.836 653 D CB -0.418 40.450 40.800 0.113 0.000 0.951 653 D HN 0.688 nan 8.370 nan 0.000 0.449 654 D N 0.598 121.141 120.400 0.238 0.000 2.200 654 D HA -0.188 4.451 4.640 -0.002 0.000 0.192 654 D C 1.396 177.899 176.300 0.338 0.000 1.008 654 D CA 1.528 55.719 54.000 0.318 0.000 0.872 654 D CB 0.044 41.008 40.800 0.273 0.000 0.923 654 D HN 0.123 nan 8.370 nan 0.000 0.447 655 D N -0.941 119.638 120.400 0.298 0.000 2.201 655 D HA -0.044 4.595 4.640 -0.002 0.000 0.209 655 D C 2.403 178.897 176.300 0.324 0.000 0.961 655 D CA 0.433 54.637 54.000 0.340 0.000 0.861 655 D CB -0.240 40.732 40.800 0.286 0.000 0.997 655 D HN 0.150 nan 8.370 nan 0.000 0.486 656 V N 1.859 121.936 119.914 0.272 0.000 2.278 656 V HA -0.268 3.851 4.120 -0.002 0.000 0.251 656 V C 2.711 178.907 176.094 0.169 0.000 1.062 656 V CA 1.363 63.815 62.300 0.253 0.000 1.038 656 V CB -0.601 31.321 31.823 0.166 0.000 0.646 656 V HN 0.183 nan 8.190 nan 0.000 0.447 657 L N -1.008 120.258 121.223 0.072 0.000 2.127 657 L HA -0.231 4.108 4.340 -0.002 0.000 0.211 657 L C 2.430 179.207 176.870 -0.155 0.000 1.089 657 L CA 1.750 56.547 54.840 -0.071 0.000 0.757 657 L CB -0.634 41.318 42.059 -0.178 0.000 0.899 657 L HN 0.436 nan 8.230 nan 0.000 0.434 658 H N -2.631 116.332 119.070 -0.178 0.000 2.470 658 H HA -0.075 4.480 4.556 -0.002 0.000 0.289 658 H C 0.966 175.981 175.328 -0.522 0.000 1.033 658 H CA 1.364 57.154 56.048 -0.430 0.000 1.331 658 H CB 0.177 29.505 29.762 -0.724 0.000 1.414 658 H HN 0.337 nan 8.280 nan 0.000 0.545 659 Y N -1.388 118.989 120.300 0.129 0.000 2.481 659 Y HA 0.074 4.622 4.550 -0.002 0.000 0.247 659 Y C 1.593 177.526 175.900 0.055 0.000 1.151 659 Y CA -0.445 57.700 58.100 0.075 0.000 1.238 659 Y CB 0.539 39.053 38.460 0.090 0.000 1.179 659 Y HN 0.091 nan 8.280 nan 0.000 0.524 660 L N 0.561 121.883 121.223 0.166 0.000 2.012 660 L HA -0.211 4.128 4.340 -0.002 0.000 0.210 660 L C 2.194 179.094 176.870 0.051 0.000 1.073 660 L CA 1.665 56.615 54.840 0.183 0.000 0.748 660 L CB -0.827 41.402 42.059 0.284 0.000 0.891 660 L HN 0.342 nan 8.230 nan 0.000 0.431 661 L N -0.439 120.654 121.223 -0.217 0.000 1.989 661 L HA -0.262 4.077 4.340 -0.002 0.000 0.211 661 L C 2.458 179.170 176.870 -0.263 0.000 1.071 661 L CA 2.047 56.510 54.840 -0.629 0.000 0.749 661 L CB -1.060 40.489 42.059 -0.851 0.000 0.890 661 L HN 0.405 nan 8.230 nan 0.000 0.431 662 Q N -0.719 119.017 119.800 -0.107 0.000 2.170 662 Q HA -0.101 4.238 4.340 -0.002 0.000 0.203 662 Q C 2.196 178.216 176.000 0.032 0.000 0.976 662 Q CA 1.828 57.619 55.803 -0.020 0.000 0.858 662 Q CB -0.279 28.494 28.738 0.059 0.000 0.907 662 Q HN 0.586 nan 8.270 nan 0.000 0.433 663 L N -0.935 120.338 121.223 0.083 0.000 2.275 663 L HA -0.146 4.193 4.340 -0.002 0.000 0.215 663 L C 1.905 178.834 176.870 0.098 0.000 1.119 663 L CA 0.437 55.350 54.840 0.121 0.000 0.790 663 L CB -0.156 42.024 42.059 0.202 0.000 0.919 663 L HN 0.115 nan 8.230 nan 0.000 0.443 664 V N -1.196 118.742 119.914 0.040 0.000 2.379 664 V HA -0.161 3.958 4.120 -0.002 0.000 0.243 664 V C 2.405 178.505 176.094 0.010 0.000 1.035 664 V CA 1.094 63.416 62.300 0.036 0.000 1.035 664 V CB -0.332 31.474 31.823 -0.029 0.000 0.673 664 V HN 0.399 nan 8.190 nan 0.000 0.457 665 Q N 0.359 120.102 119.800 -0.094 0.000 2.181 665 Q HA -0.185 4.154 4.340 -0.002 0.000 0.205 665 Q C 2.354 178.203 176.000 -0.252 0.000 0.980 665 Q CA 1.845 57.553 55.803 -0.159 0.000 0.862 665 Q CB -0.731 27.897 28.738 -0.184 0.000 0.905 665 Q HN 0.640 nan 8.270 nan 0.000 0.429 666 A N 0.453 123.208 122.820 -0.109 0.000 2.070 666 A HA -0.091 4.228 4.320 -0.002 0.000 0.220 666 A C 2.367 179.894 177.584 -0.095 0.000 1.159 666 A CA 1.033 53.044 52.037 -0.044 0.000 0.656 666 A CB -0.454 18.636 19.000 0.149 0.000 0.800 666 A HN 0.209 nan 8.150 nan 0.000 0.453 667 V N 0.179 120.057 119.914 -0.059 0.000 2.594 667 V HA -0.265 3.854 4.120 -0.002 0.000 0.253 667 V C 2.259 178.187 176.094 -0.277 0.000 1.069 667 V CA 2.155 64.420 62.300 -0.058 0.000 1.082 667 V CB -0.638 31.236 31.823 0.084 0.000 0.680 667 V HN 0.583 nan 8.190 nan 0.000 0.469 668 K N -0.340 119.727 120.400 -0.555 0.000 2.281 668 K HA -0.148 4.171 4.320 -0.002 0.000 0.203 668 K C 1.811 178.106 176.600 -0.508 0.000 1.046 668 K CA 1.559 57.258 56.287 -0.979 0.000 0.938 668 K CB -0.292 31.406 32.500 -1.336 0.000 0.737 668 K HN 0.502 nan 8.250 nan 0.000 0.458 669 F N 1.392 121.243 119.950 -0.166 0.000 2.743 669 F HA 0.037 4.563 4.527 -0.002 0.000 0.297 669 F C 0.931 176.680 175.800 -0.085 0.000 1.131 669 F CA -0.398 57.543 58.000 -0.099 0.000 1.426 669 F CB 0.263 39.223 39.000 -0.067 0.000 1.116 669 F HN -0.135 nan 8.300 nan 0.000 0.583 670 E N 1.598 121.840 120.200 0.069 0.000 2.373 670 E HA 0.017 4.366 4.350 -0.002 0.000 0.267 670 E C -1.604 174.969 176.600 -0.044 0.000 1.032 670 E CA -1.231 55.185 56.400 0.027 0.000 0.889 670 E CB 0.612 30.335 29.700 0.038 0.000 0.984 670 E HN 0.054 nan 8.360 nan 0.000 0.425 671 P HA -0.047 nan 4.420 nan 0.000 0.218 671 P C -0.301 176.677 177.300 -0.537 0.000 1.152 671 P CA 1.159 64.061 63.100 -0.330 0.000 0.826 671 P CB 0.167 31.623 31.700 -0.407 0.000 0.790 672 Y N -1.848 118.374 120.300 -0.130 0.000 2.457 672 Y HA 0.242 4.791 4.550 -0.002 0.000 0.333 672 Y C 2.157 177.987 175.900 -0.116 0.000 1.119 672 Y CA -0.608 57.392 58.100 -0.167 0.000 1.143 672 Y CB 0.577 38.982 38.460 -0.092 0.000 1.230 672 Y HN -0.090 nan 8.280 nan 0.000 0.469 673 H N -0.408 118.744 119.070 0.137 0.000 2.321 673 H HA -0.121 4.434 4.556 -0.002 0.000 0.300 673 H C 0.087 175.465 175.328 0.084 0.000 1.087 673 H CA 1.419 57.502 56.048 0.059 0.000 1.319 673 H CB 0.030 29.809 29.762 0.028 0.000 1.379 673 H HN 0.543 nan 8.280 nan 0.000 0.501 674 D N 1.385 121.936 120.400 0.251 0.000 2.316 674 D HA 0.162 4.801 4.640 -0.002 0.000 0.245 674 D C -0.418 175.971 176.300 0.149 0.000 1.171 674 D CA -0.077 54.031 54.000 0.180 0.000 0.856 674 D CB 0.542 41.453 40.800 0.186 0.000 1.090 674 D HN 0.274 nan 8.370 nan 0.000 0.476 675 S N 1.596 117.370 115.700 0.124 0.000 2.564 675 S HA 0.631 5.100 4.470 -0.002 0.000 0.274 675 S C 1.033 175.693 174.600 0.100 0.000 1.124 675 S CA -0.341 57.922 58.200 0.104 0.000 0.869 675 S CB 1.512 64.774 63.200 0.103 0.000 1.105 675 S HN 0.293 nan 8.310 nan 0.000 0.472 676 A N 1.230 124.098 122.820 0.080 0.000 1.915 676 A HA -0.139 4.180 4.320 -0.002 0.000 0.220 676 A C 2.015 179.673 177.584 0.123 0.000 1.198 676 A CA 2.133 54.221 52.037 0.084 0.000 0.647 676 A CB -1.098 17.927 19.000 0.041 0.000 0.825 676 A HN 1.087 nan 8.150 nan 0.000 0.456 677 L N -0.551 120.735 121.223 0.104 0.000 2.079 677 L HA -0.095 4.244 4.340 -0.002 0.000 0.210 677 L C 2.672 179.678 176.870 0.225 0.000 1.081 677 L CA 2.254 57.184 54.840 0.149 0.000 0.752 677 L CB -0.887 41.239 42.059 0.111 0.000 0.896 677 L HN 0.380 nan 8.230 nan 0.000 0.433 678 A N -0.640 122.281 122.820 0.168 0.000 1.897 678 A HA -0.140 4.179 4.320 -0.002 0.000 0.215 678 A C 2.310 179.984 177.584 0.149 0.000 1.181 678 A CA 1.231 53.360 52.037 0.154 0.000 0.620 678 A CB -0.467 18.608 19.000 0.125 0.000 0.821 678 A HN 0.468 nan 8.150 nan 0.000 0.443 679 R N -1.860 118.731 120.500 0.150 0.000 2.285 679 R HA -0.049 4.290 4.340 -0.002 0.000 0.213 679 R C 1.643 178.044 176.300 0.169 0.000 1.068 679 R CA 1.196 57.377 56.100 0.135 0.000 1.004 679 R CB -0.321 30.053 30.300 0.123 0.000 0.873 679 R HN 0.671 nan 8.270 nan 0.000 0.467 680 F N 0.880 120.864 119.950 0.057 0.000 2.222 680 F HA 0.045 4.572 4.527 -0.001 0.000 0.285 680 F C 1.870 177.703 175.800 0.055 0.000 1.068 680 F CA 0.659 58.693 58.000 0.056 0.000 1.265 680 F CB -0.398 38.637 39.000 0.058 0.000 1.087 680 F HN -0.218 nan 8.300 nan 0.000 0.511 681 L N 0.625 121.851 121.223 0.005 0.000 2.010 681 L HA -0.315 4.024 4.340 -0.002 0.000 0.219 681 L C 2.659 179.449 176.870 -0.134 0.000 1.077 681 L CA 1.817 56.601 54.840 -0.093 0.000 0.773 681 L CB -1.194 40.910 42.059 0.075 0.000 0.892 681 L HN 0.351 nan 8.230 nan 0.000 0.436 682 L N 0.331 121.533 121.223 -0.035 0.000 1.978 682 L HA -0.328 4.011 4.340 -0.002 0.000 0.218 682 L C 2.799 179.645 176.870 -0.040 0.000 1.075 682 L CA 2.200 57.032 54.840 -0.014 0.000 0.767 682 L CB -0.411 41.680 42.059 0.053 0.000 0.890 682 L HN 0.375 nan 8.230 nan 0.000 0.434 683 K N -0.888 119.478 120.400 -0.057 0.000 2.148 683 K HA -0.182 4.137 4.320 -0.002 0.000 0.204 683 K C 2.085 178.615 176.600 -0.117 0.000 1.050 683 K CA 0.902 57.156 56.287 -0.056 0.000 0.942 683 K CB 0.108 32.592 32.500 -0.027 0.000 0.724 683 K HN 0.249 nan 8.250 nan 0.000 0.446 684 R N -0.490 119.859 120.500 -0.252 0.000 2.127 684 R HA 0.043 4.382 4.340 -0.002 0.000 0.217 684 R C 2.297 178.528 176.300 -0.115 0.000 1.074 684 R CA 1.138 57.094 56.100 -0.240 0.000 0.991 684 R CB -0.738 29.288 30.300 -0.458 0.000 0.895 684 R HN 0.356 nan 8.270 nan 0.000 0.450 685 G N 0.695 109.407 108.800 -0.147 0.000 2.421 685 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.217 685 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.217 685 G C 1.465 176.402 174.900 0.061 0.000 1.143 685 G CA -0.009 45.005 45.100 -0.143 0.000 0.784 685 G HN 0.171 nan 8.290 nan 0.000 0.541 686 L N -0.380 120.907 121.223 0.107 0.000 2.465 686 L HA 0.125 4.464 4.340 -0.002 0.000 0.224 686 L C 2.713 179.648 176.870 0.109 0.000 1.145 686 L CA 0.394 55.363 54.840 0.215 0.000 0.834 686 L CB -0.058 42.084 42.059 0.140 0.000 0.944 686 L HN 0.196 nan 8.230 nan 0.000 0.451 687 R N -0.082 120.478 120.500 0.100 0.000 2.290 687 R HA 0.051 4.390 4.340 -0.002 0.000 0.197 687 R C 0.157 176.601 176.300 0.240 0.000 0.913 687 R CA 0.140 56.299 56.100 0.098 0.000 1.040 687 R CB 0.489 30.816 30.300 0.045 0.000 0.992 687 R HN 0.213 nan 8.270 nan 0.000 0.500 688 N N 0.265 119.134 118.700 0.283 0.000 2.648 688 N HA 0.022 4.761 4.740 -0.002 0.000 0.272 688 N C -0.574 175.034 175.510 0.163 0.000 1.118 688 N CA -0.244 52.940 53.050 0.223 0.000 0.973 688 N CB 1.507 40.067 38.487 0.122 0.000 1.565 688 N HN -0.123 nan 8.380 nan 0.000 0.542 689 K N 1.790 122.212 120.400 0.037 0.000 2.209 689 K HA -0.092 4.227 4.320 -0.002 0.000 0.204 689 K C 1.723 178.284 176.600 -0.066 0.000 1.048 689 K CA 0.895 57.140 56.287 -0.069 0.000 0.940 689 K CB 0.321 32.572 32.500 -0.415 0.000 0.729 689 K HN 0.474 nan 8.250 nan 0.000 0.451 690 R N 1.146 121.591 120.500 -0.092 0.000 2.092 690 R HA -0.042 4.297 4.340 -0.002 0.000 0.231 690 R C 2.089 178.475 176.300 0.144 0.000 1.119 690 R CA 0.963 57.034 56.100 -0.048 0.000 0.970 690 R CB -0.053 30.131 30.300 -0.192 0.000 0.864 690 R HN 0.104 nan 8.270 nan 0.000 0.440 691 I N -0.057 120.555 120.570 0.069 0.000 2.233 691 I HA -0.101 4.068 4.170 -0.002 0.000 0.243 691 I C 2.450 178.590 176.117 0.038 0.000 1.093 691 I CA 1.234 62.576 61.300 0.070 0.000 1.380 691 I CB -0.585 37.419 38.000 0.006 0.000 1.067 691 I HN 0.371 nan 8.210 nan 0.000 0.413 692 G N 0.171 108.981 108.800 0.016 0.000 2.599 692 G HA2 -0.428 3.531 3.960 -0.002 0.000 0.219 692 G HA3 -0.428 3.531 3.960 -0.002 0.000 0.219 692 G C 1.489 176.463 174.900 0.124 0.000 1.193 692 G CA 1.811 46.880 45.100 -0.051 0.000 0.778 692 G HN 0.472 nan 8.290 nan 0.000 0.589 693 H N 0.056 119.216 119.070 0.151 0.000 2.289 693 H HA -0.109 4.446 4.556 -0.002 0.000 0.294 693 H C 2.263 177.562 175.328 -0.048 0.000 1.095 693 H CA 2.241 58.360 56.048 0.118 0.000 1.256 693 H CB -0.396 29.255 29.762 -0.185 0.000 1.359 693 H HN 0.376 nan 8.280 nan 0.000 0.487 694 F N -0.772 119.147 119.950 -0.052 0.000 2.407 694 F HA -0.035 4.491 4.527 -0.002 0.000 0.299 694 F C 2.216 177.556 175.800 -0.767 0.000 1.097 694 F CA 0.380 58.085 58.000 -0.492 0.000 1.422 694 F CB -0.316 38.390 39.000 -0.490 0.000 1.067 694 F HN 0.216 nan 8.300 nan 0.000 0.539 695 L N -0.089 121.002 121.223 -0.220 0.000 1.955 695 L HA -0.236 4.103 4.340 -0.002 0.000 0.213 695 L C 2.290 179.010 176.870 -0.251 0.000 1.072 695 L CA 1.696 56.413 54.840 -0.206 0.000 0.755 695 L CB -1.332 40.530 42.059 -0.330 0.000 0.888 695 L HN 0.167 nan 8.230 nan 0.000 0.432 696 F N -0.570 119.106 119.950 -0.456 0.000 2.077 696 F HA -0.409 4.117 4.527 -0.002 0.000 0.292 696 F C 2.038 177.486 175.800 -0.587 0.000 1.120 696 F CA 2.769 60.401 58.000 -0.614 0.000 1.246 696 F CB -0.898 37.506 39.000 -0.993 0.000 0.941 696 F HN 0.220 nan 8.300 nan 0.000 0.514 697 W N -0.888 120.274 121.300 -0.230 0.000 2.465 697 W HA -0.077 4.582 4.660 -0.002 0.000 0.268 697 W C 2.374 178.826 176.519 -0.111 0.000 1.242 697 W CA 0.925 58.145 57.345 -0.207 0.000 1.248 697 W CB -0.660 28.683 29.460 -0.195 0.000 1.118 697 W HN 0.064 nan 8.180 nan 0.000 0.587 698 F N -0.531 119.438 119.950 0.032 0.000 2.187 698 F HA -0.117 4.409 4.527 -0.001 0.000 0.295 698 F C 2.186 177.818 175.800 -0.279 0.000 1.091 698 F CA 0.374 58.330 58.000 -0.073 0.000 1.308 698 F CB -0.734 38.230 39.000 -0.061 0.000 1.030 698 F HN -0.260 nan 8.300 nan 0.000 0.487 699 L N 0.230 121.351 121.223 -0.171 0.000 2.012 699 L HA -0.255 4.084 4.340 -0.002 0.000 0.210 699 L C 2.574 179.225 176.870 -0.364 0.000 1.073 699 L CA 1.555 56.161 54.840 -0.391 0.000 0.748 699 L CB -0.701 41.167 42.059 -0.319 0.000 0.891 699 L HN 0.116 nan 8.230 nan 0.000 0.431 700 R N -0.259 119.997 120.500 -0.406 0.000 2.115 700 R HA -0.155 4.184 4.340 -0.002 0.000 0.230 700 R C 2.602 178.821 176.300 -0.136 0.000 1.111 700 R CA 1.338 57.212 56.100 -0.378 0.000 0.976 700 R CB -0.123 29.763 30.300 -0.690 0.000 0.870 700 R HN 0.251 nan 8.270 nan 0.000 0.445 701 S N 0.203 115.881 115.700 -0.038 0.000 2.370 701 S HA -0.147 4.322 4.470 -0.002 0.000 0.226 701 S C 1.589 176.178 174.600 -0.018 0.000 1.033 701 S CA 1.321 59.546 58.200 0.041 0.000 1.011 701 S CB -0.109 63.151 63.200 0.099 0.000 0.852 701 S HN 0.360 nan 8.310 nan 0.000 0.457 702 E N 1.086 121.217 120.200 -0.115 0.000 2.033 702 E HA 0.049 4.398 4.350 -0.002 0.000 0.189 702 E C 2.143 178.752 176.600 0.016 0.000 0.979 702 E CA 0.917 57.265 56.400 -0.085 0.000 0.802 702 E CB -0.672 28.838 29.700 -0.317 0.000 0.763 702 E HN 0.589 nan 8.360 nan 0.000 0.449 703 I N 1.395 121.949 120.570 -0.028 0.000 2.113 703 I HA -0.344 3.825 4.170 -0.002 0.000 0.242 703 I C 2.384 178.517 176.117 0.027 0.000 1.064 703 I CA 1.500 62.798 61.300 -0.003 0.000 1.320 703 I CB -0.359 37.605 38.000 -0.061 0.000 1.028 703 I HN 0.026 nan 8.210 nan 0.000 0.406 704 A N 0.179 123.012 122.820 0.021 0.000 1.978 704 A HA -0.241 4.078 4.320 -0.002 0.000 0.220 704 A C 2.037 179.667 177.584 0.078 0.000 1.170 704 A CA 2.075 54.145 52.037 0.056 0.000 0.636 704 A CB -0.438 18.599 19.000 0.060 0.000 0.810 704 A HN 0.736 nan 8.150 nan 0.000 0.448 705 Q N -1.980 117.867 119.800 0.078 0.000 2.140 705 Q HA 0.291 4.630 4.340 -0.002 0.000 0.227 705 Q C 0.268 176.337 176.000 0.114 0.000 0.798 705 Q CA 0.402 56.262 55.803 0.094 0.000 0.987 705 Q CB 0.217 29.008 28.738 0.088 0.000 1.161 705 Q HN 0.328 nan 8.270 nan 0.000 0.480 706 S N 1.139 116.914 115.700 0.125 0.000 2.532 706 S HA 0.291 4.760 4.470 -0.002 0.000 0.318 706 S C 0.812 175.491 174.600 0.131 0.000 1.083 706 S CA -0.656 57.647 58.200 0.172 0.000 1.131 706 S CB 0.621 63.965 63.200 0.239 0.000 0.973 706 S HN 0.209 nan 8.310 nan 0.000 0.468 707 R N 2.964 123.526 120.500 0.104 0.000 2.105 707 R HA -0.114 4.225 4.340 -0.002 0.000 0.239 707 R C 1.021 177.316 176.300 -0.007 0.000 1.135 707 R CA 1.754 57.904 56.100 0.083 0.000 0.967 707 R CB -0.679 29.727 30.300 0.177 0.000 0.861 707 R HN 0.768 nan 8.270 nan 0.000 0.442 708 H N -1.673 117.264 119.070 -0.221 0.000 2.428 708 H HA -0.041 4.514 4.556 -0.002 0.000 0.296 708 H C 0.704 175.647 175.328 -0.640 0.000 1.062 708 H CA 1.252 56.953 56.048 -0.578 0.000 1.350 708 H CB 0.059 29.361 29.762 -0.768 0.000 1.403 708 H HN 0.242 nan 8.280 nan 0.000 0.533 709 Y N 0.172 120.491 120.300 0.032 0.000 2.563 709 Y HA 0.032 4.581 4.550 -0.002 0.000 0.250 709 Y C 2.054 177.904 175.900 -0.082 0.000 1.126 709 Y CA -0.365 57.687 58.100 -0.080 0.000 1.231 709 Y CB 0.497 38.890 38.460 -0.111 0.000 1.288 709 Y HN 0.213 nan 8.280 nan 0.000 0.537 710 Q N 0.709 120.517 119.800 0.014 0.000 2.096 710 Q HA -0.260 4.079 4.340 -0.002 0.000 0.204 710 Q C 1.142 176.909 176.000 -0.388 0.000 0.982 710 Q CA 2.074 57.802 55.803 -0.125 0.000 0.850 710 Q CB -0.409 28.199 28.738 -0.217 0.000 0.901 710 Q HN 0.537 nan 8.270 nan 0.000 0.422 711 Q N 0.478 119.984 119.800 -0.491 0.000 2.124 711 Q HA -0.156 4.183 4.340 -0.002 0.000 0.202 711 Q C 2.261 178.048 176.000 -0.355 0.000 0.977 711 Q CA 1.694 57.183 55.803 -0.523 0.000 0.850 711 Q CB -0.208 28.346 28.738 -0.306 0.000 0.901 711 Q HN 0.442 nan 8.270 nan 0.000 0.429 712 R N 0.378 120.685 120.500 -0.322 0.000 2.055 712 R HA -0.076 4.263 4.340 -0.002 0.000 0.226 712 R C 1.974 178.157 176.300 -0.196 0.000 1.135 712 R CA 0.957 56.853 56.100 -0.340 0.000 0.959 712 R CB -0.264 29.887 30.300 -0.249 0.000 0.854 712 R HN 0.182 nan 8.270 nan 0.000 0.431 713 F N 1.323 121.228 119.950 -0.076 0.000 2.069 713 F HA -0.227 4.299 4.527 -0.002 0.000 0.298 713 F C 2.750 178.481 175.800 -0.115 0.000 1.113 713 F CA 0.962 58.914 58.000 -0.081 0.000 1.214 713 F CB -0.446 38.507 39.000 -0.079 0.000 0.978 713 F HN 0.255 nan 8.300 nan 0.000 0.474 714 A N 0.173 123.009 122.820 0.026 0.000 1.915 714 A HA -0.262 4.056 4.320 -0.002 0.000 0.220 714 A C 2.248 179.825 177.584 -0.012 0.000 1.198 714 A CA 2.503 54.519 52.037 -0.035 0.000 0.647 714 A CB -1.394 17.541 19.000 -0.109 0.000 0.825 714 A HN 0.220 nan 8.150 nan 0.000 0.456 715 V N -0.371 119.520 119.914 -0.037 0.000 2.427 715 V HA -0.229 3.890 4.120 -0.002 0.000 0.248 715 V C 2.378 178.481 176.094 0.014 0.000 1.051 715 V CA 1.921 64.207 62.300 -0.023 0.000 1.048 715 V CB -0.610 31.171 31.823 -0.069 0.000 0.666 715 V HN 0.574 nan 8.190 nan 0.000 0.456 716 I N -0.782 119.812 120.570 0.041 0.000 2.286 716 I HA -0.208 3.961 4.170 -0.002 0.000 0.245 716 I C 2.343 178.507 176.117 0.077 0.000 1.104 716 I CA 1.299 62.645 61.300 0.078 0.000 1.397 716 I CB -0.197 37.885 38.000 0.136 0.000 1.072 716 I HN 0.258 nan 8.210 nan 0.000 0.417 717 L N 0.691 121.941 121.223 0.046 0.000 1.994 717 L HA -0.247 4.092 4.340 -0.002 0.000 0.208 717 L C 2.667 179.555 176.870 0.029 0.000 1.071 717 L CA 1.790 56.637 54.840 0.011 0.000 0.745 717 L CB -0.483 41.509 42.059 -0.113 0.000 0.892 717 L HN 0.347 nan 8.230 nan 0.000 0.431 718 E N 0.079 120.275 120.200 -0.006 0.000 2.160 718 E HA -0.258 4.091 4.350 -0.002 0.000 0.195 718 E C 1.923 178.528 176.600 0.009 0.000 0.991 718 E CA 1.258 57.643 56.400 -0.024 0.000 0.810 718 E CB 0.090 29.776 29.700 -0.024 0.000 0.742 718 E HN 0.590 nan 8.360 nan 0.000 0.466 719 A N 0.580 123.429 122.820 0.048 0.000 1.877 719 A HA -0.212 4.107 4.320 -0.002 0.000 0.216 719 A C 2.075 179.723 177.584 0.107 0.000 1.186 719 A CA 1.553 53.631 52.037 0.069 0.000 0.620 719 A CB -0.952 18.093 19.000 0.076 0.000 0.822 719 A HN 0.536 nan 8.150 nan 0.000 0.443 720 Y N 0.667 120.965 120.300 -0.003 0.000 2.133 720 Y HA -0.136 4.413 4.550 -0.001 0.000 0.287 720 Y C 1.948 177.861 175.900 0.023 0.000 1.134 720 Y CA 1.669 59.773 58.100 0.006 0.000 1.133 720 Y CB -0.666 37.786 38.460 -0.013 0.000 0.987 720 Y HN 0.195 nan 8.280 nan 0.000 0.502 721 L N 0.166 121.236 121.223 -0.255 0.000 2.129 721 L HA -0.274 4.065 4.340 -0.002 0.000 0.212 721 L C 2.331 179.101 176.870 -0.166 0.000 1.087 721 L CA 1.702 56.348 54.840 -0.324 0.000 0.757 721 L CB -0.548 41.396 42.059 -0.191 0.000 0.896 721 L HN 0.162 nan 8.230 nan 0.000 0.434 722 R N -0.340 120.127 120.500 -0.056 0.000 2.339 722 R HA -0.005 4.334 4.340 -0.002 0.000 0.199 722 R C 1.479 177.812 176.300 0.055 0.000 1.018 722 R CA 0.660 56.812 56.100 0.086 0.000 1.036 722 R CB -0.066 30.302 30.300 0.114 0.000 0.899 722 R HN 0.405 nan 8.270 nan 0.000 0.473 723 G N -0.794 107.986 108.800 -0.035 0.000 3.738 723 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.241 723 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.241 723 G C 1.069 175.932 174.900 -0.062 0.000 1.068 723 G CA -0.127 44.957 45.100 -0.027 0.000 0.899 723 G HN 0.409 nan 8.290 nan 0.000 0.519 724 C N -0.191 118.992 119.300 -0.195 0.000 2.448 724 C HA 0.525 4.984 4.460 -0.002 0.000 0.280 724 C C 1.543 176.584 174.990 0.085 0.000 1.398 724 C CA -0.000 58.952 59.018 -0.109 0.000 1.774 724 C CB -1.154 26.337 27.740 -0.416 0.000 1.888 724 C HN 1.498 nan 8.230 nan 0.000 0.519 725 G N 0.291 109.118 108.800 0.046 0.000 2.785 725 G HA2 0.029 3.988 3.960 -0.002 0.000 0.686 725 G HA3 0.029 3.988 3.960 -0.002 0.000 0.686 725 G C 0.320 175.263 174.900 0.072 0.000 1.155 725 G CA 0.292 45.441 45.100 0.080 0.000 0.760 725 G HN 1.102 nan 8.290 nan 0.000 0.624 726 T N -0.597 113.995 114.554 0.064 0.000 2.881 726 T HA 0.138 4.486 4.350 -0.002 0.000 0.270 726 T C 2.696 177.425 174.700 0.048 0.000 1.068 726 T CA 2.369 64.510 62.100 0.069 0.000 1.131 726 T CB -0.321 68.577 68.868 0.050 0.000 0.871 726 T HN 2.177 nan 8.240 nan 0.000 0.479 727 A N 2.771 125.601 122.820 0.017 0.000 1.870 727 A HA -0.165 4.154 4.320 -0.002 0.000 0.219 727 A C 2.560 180.123 177.584 -0.034 0.000 1.224 727 A CA 2.452 54.477 52.037 -0.020 0.000 0.650 727 A CB -0.902 18.073 19.000 -0.041 0.000 0.836 727 A HN 0.612 nan 8.150 nan 0.000 0.454 728 M N -1.141 118.410 119.600 -0.082 0.000 2.334 728 M HA 0.069 4.548 4.480 -0.002 0.000 0.266 728 M C 2.183 178.357 176.300 -0.210 0.000 1.082 728 M CA 0.754 55.879 55.300 -0.291 0.000 1.141 728 M CB -0.561 31.867 32.600 -0.287 0.000 1.380 728 M HN 0.347 nan 8.290 nan 0.000 0.440 729 L N -0.159 121.089 121.223 0.042 0.000 2.013 729 L HA -0.290 4.049 4.340 -0.002 0.000 0.212 729 L C 2.698 179.606 176.870 0.062 0.000 1.073 729 L CA 1.974 56.884 54.840 0.117 0.000 0.753 729 L CB -1.020 41.108 42.059 0.116 0.000 0.890 729 L HN 0.370 nan 8.230 nan 0.000 0.432 730 H N 0.092 119.143 119.070 -0.032 0.000 2.319 730 H HA -0.212 4.343 4.556 -0.001 0.000 0.299 730 H C 1.804 177.079 175.328 -0.089 0.000 1.092 730 H CA 2.369 58.391 56.048 -0.042 0.000 1.302 730 H CB -0.035 29.705 29.762 -0.038 0.000 1.373 730 H HN 0.316 nan 8.280 nan 0.000 0.497 731 D N -0.374 119.919 120.400 -0.178 0.000 2.144 731 D HA -0.134 4.505 4.640 -0.002 0.000 0.199 731 D C 1.885 177.986 176.300 -0.332 0.000 0.984 731 D CA 1.377 55.197 54.000 -0.301 0.000 0.834 731 D CB -0.396 40.166 40.800 -0.395 0.000 0.955 731 D HN 0.453 nan 8.370 nan 0.000 0.465 732 F N 0.760 120.545 119.950 -0.276 0.000 2.146 732 F HA -0.140 4.386 4.527 -0.002 0.000 0.298 732 F C 2.594 178.252 175.800 -0.238 0.000 1.096 732 F CA 0.878 58.609 58.000 -0.449 0.000 1.275 732 F CB -0.615 37.870 39.000 -0.858 0.000 1.008 732 F HN -0.106 nan 8.300 nan 0.000 0.480 733 T N -0.391 114.150 114.554 -0.023 0.000 2.684 733 T HA -0.220 4.129 4.350 -0.002 0.000 0.267 733 T C 1.958 176.622 174.700 -0.060 0.000 1.036 733 T CA 1.310 63.387 62.100 -0.038 0.000 1.148 733 T CB -0.332 68.494 68.868 -0.069 0.000 0.863 733 T HN 0.209 nan 8.240 nan 0.000 0.436 734 Q N 1.104 120.813 119.800 -0.150 0.000 2.077 734 Q HA -0.183 4.156 4.340 -0.002 0.000 0.206 734 Q C 2.441 178.446 176.000 0.009 0.000 0.989 734 Q CA 1.708 57.454 55.803 -0.094 0.000 0.853 734 Q CB -0.401 28.260 28.738 -0.127 0.000 0.907 734 Q HN 0.678 nan 8.270 nan 0.000 0.418 735 Q N -0.237 119.613 119.800 0.084 0.000 2.083 735 Q HA -0.079 4.260 4.340 -0.002 0.000 0.198 735 Q C 2.348 178.485 176.000 0.229 0.000 0.969 735 Q CA 1.305 57.231 55.803 0.205 0.000 0.838 735 Q CB -0.054 28.957 28.738 0.456 0.000 0.900 735 Q HN 0.145 nan 8.270 nan 0.000 0.436 736 V N 1.245 121.299 119.914 0.233 0.000 2.287 736 V HA -0.327 3.792 4.120 -0.002 0.000 0.248 736 V C 2.202 178.360 176.094 0.107 0.000 1.053 736 V CA 2.008 64.439 62.300 0.218 0.000 1.027 736 V CB -0.719 31.188 31.823 0.141 0.000 0.646 736 V HN 0.377 nan 8.190 nan 0.000 0.447 737 Q N -0.408 119.416 119.800 0.040 0.000 2.014 737 Q HA -0.220 4.119 4.340 -0.002 0.000 0.207 737 Q C 2.379 178.351 176.000 -0.047 0.000 0.993 737 Q CA 2.465 58.265 55.803 -0.005 0.000 0.850 737 Q CB -0.495 28.231 28.738 -0.020 0.000 0.916 737 Q HN 0.542 nan 8.270 nan 0.000 0.417 738 V N 1.397 121.243 119.914 -0.114 0.000 2.252 738 V HA -0.314 3.805 4.120 -0.002 0.000 0.249 738 V C 2.304 178.283 176.094 -0.190 0.000 1.056 738 V CA 2.249 64.398 62.300 -0.252 0.000 1.022 738 V CB -0.865 30.562 31.823 -0.659 0.000 0.641 738 V HN 0.517 nan 8.190 nan 0.000 0.445 739 I N -1.183 119.344 120.570 -0.071 0.000 2.394 739 I HA -0.157 4.012 4.170 -0.002 0.000 0.251 739 I C 2.165 178.299 176.117 0.028 0.000 1.136 739 I CA 1.682 63.016 61.300 0.056 0.000 1.425 739 I CB -0.808 37.336 38.000 0.240 0.000 1.079 739 I HN 0.286 nan 8.210 nan 0.000 0.425 740 E N 0.938 121.157 120.200 0.031 0.000 2.077 740 E HA -0.197 4.152 4.350 -0.002 0.000 0.193 740 E C 2.234 178.808 176.600 -0.043 0.000 0.989 740 E CA 1.834 58.242 56.400 0.013 0.000 0.800 740 E CB -0.244 29.469 29.700 0.021 0.000 0.746 740 E HN 0.564 nan 8.360 nan 0.000 0.452 741 M N 0.286 119.841 119.600 -0.074 0.000 2.080 741 M HA -0.205 4.274 4.480 -0.002 0.000 0.260 741 M C 2.294 178.505 176.300 -0.149 0.000 1.068 741 M CA 1.491 56.734 55.300 -0.095 0.000 1.109 741 M CB -0.259 32.285 32.600 -0.094 0.000 1.342 741 M HN 0.126 nan 8.290 nan 0.000 0.405 742 L N -0.638 120.431 121.223 -0.257 0.000 2.156 742 L HA -0.185 4.154 4.340 -0.002 0.000 0.208 742 L C 2.485 179.125 176.870 -0.383 0.000 1.095 742 L CA 1.096 55.672 54.840 -0.439 0.000 0.770 742 L CB -0.622 40.905 42.059 -0.886 0.000 0.914 742 L HN 0.380 nan 8.230 nan 0.000 0.439 743 Q N 0.032 119.690 119.800 -0.237 0.000 2.167 743 Q HA -0.197 4.142 4.340 -0.002 0.000 0.202 743 Q C 2.159 178.125 176.000 -0.057 0.000 0.970 743 Q CA 1.197 56.964 55.803 -0.060 0.000 0.855 743 Q CB 0.006 28.777 28.738 0.056 0.000 0.911 743 Q HN 0.438 nan 8.270 nan 0.000 0.438 744 K N 0.033 120.392 120.400 -0.069 0.000 2.009 744 K HA -0.151 4.168 4.320 -0.002 0.000 0.210 744 K C 2.092 178.658 176.600 -0.057 0.000 1.049 744 K CA 1.569 57.822 56.287 -0.056 0.000 0.929 744 K CB -0.153 32.317 32.500 -0.050 0.000 0.714 744 K HN 0.044 nan 8.250 nan 0.000 0.440 745 V N 1.288 121.157 119.914 -0.075 0.000 2.343 745 V HA -0.243 3.876 4.120 -0.002 0.000 0.247 745 V C 2.199 178.270 176.094 -0.038 0.000 1.051 745 V CA 2.110 64.373 62.300 -0.061 0.000 1.036 745 V CB -0.750 31.025 31.823 -0.080 0.000 0.654 745 V HN 0.416 nan 8.190 nan 0.000 0.451 746 T N 0.946 115.474 114.554 -0.043 0.000 2.622 746 T HA -0.179 4.170 4.350 -0.002 0.000 0.266 746 T C 1.881 176.601 174.700 0.033 0.000 1.047 746 T CA 1.873 63.986 62.100 0.022 0.000 1.159 746 T CB -0.390 68.523 68.868 0.075 0.000 0.863 746 T HN 0.328 nan 8.240 nan 0.000 0.422 747 L N 0.791 122.010 121.223 -0.007 0.000 2.141 747 L HA -0.072 4.267 4.340 -0.002 0.000 0.209 747 L C 2.448 179.304 176.870 -0.024 0.000 1.094 747 L CA 1.011 55.823 54.840 -0.046 0.000 0.763 747 L CB -0.594 41.385 42.059 -0.134 0.000 0.908 747 L HN 0.122 nan 8.230 nan 0.000 0.437 748 D N 0.210 120.596 120.400 -0.022 0.000 2.144 748 D HA -0.147 4.492 4.640 -0.002 0.000 0.200 748 D C 2.167 178.465 176.300 -0.003 0.000 0.978 748 D CA 1.176 55.167 54.000 -0.015 0.000 0.833 748 D CB -0.035 40.753 40.800 -0.020 0.000 0.961 748 D HN 0.161 nan 8.370 nan 0.000 0.470 749 I N 0.975 121.548 120.570 0.004 0.000 2.286 749 I HA -0.188 3.981 4.170 -0.002 0.000 0.248 749 I C 2.233 178.362 176.117 0.020 0.000 1.115 749 I CA 1.095 62.403 61.300 0.013 0.000 1.392 749 I CB -0.146 37.868 38.000 0.023 0.000 1.065 749 I HN -0.102 nan 8.210 nan 0.000 0.418 750 K N 0.025 120.447 120.400 0.036 0.000 2.057 750 K HA -0.160 4.159 4.320 -0.002 0.000 0.207 750 K C 2.257 178.877 176.600 0.033 0.000 1.049 750 K CA 1.685 58.004 56.287 0.052 0.000 0.931 750 K CB -0.021 32.538 32.500 0.098 0.000 0.714 750 K HN 0.261 nan 8.250 nan 0.000 0.440 751 S N 1.460 117.174 115.700 0.023 0.000 2.359 751 S HA -0.170 4.299 4.470 -0.002 0.000 0.224 751 S C 1.890 176.491 174.600 0.001 0.000 1.035 751 S CA 1.377 59.585 58.200 0.014 0.000 1.018 751 S CB -0.363 62.842 63.200 0.007 0.000 0.876 751 S HN 0.248 nan 8.310 nan 0.000 0.448 752 L N 1.749 122.970 121.223 -0.004 0.000 2.079 752 L HA -0.072 4.267 4.340 -0.002 0.000 0.210 752 L C 1.494 178.344 176.870 -0.033 0.000 1.081 752 L CA 0.665 55.497 54.840 -0.014 0.000 0.752 752 L CB -0.700 41.352 42.059 -0.012 0.000 0.896 752 L HN 0.321 nan 8.230 nan 0.000 0.433 753 S N -0.288 115.389 115.700 -0.038 0.000 2.652 753 S HA 0.623 5.092 4.470 -0.002 0.000 0.270 753 S C 0.169 174.710 174.600 -0.100 0.000 1.243 753 S CA -0.694 57.457 58.200 -0.082 0.000 0.999 753 S CB 1.584 64.743 63.200 -0.068 0.000 0.973 753 S HN 0.150 nan 8.310 nan 0.000 0.544 754 A N 0.668 123.366 122.820 -0.203 0.000 2.448 754 A HA 0.285 4.604 4.320 -0.002 0.000 0.239 754 A C 1.321 178.860 177.584 -0.075 0.000 1.080 754 A CA 0.138 52.066 52.037 -0.182 0.000 0.779 754 A CB -0.450 18.283 19.000 -0.446 0.000 1.026 754 A HN 1.062 nan 8.150 nan 0.000 0.499 755 E N 0.264 120.465 120.200 0.002 0.000 2.118 755 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 755 E C 0.355 176.987 176.600 0.053 0.000 0.992 755 E CA 1.926 58.349 56.400 0.038 0.000 0.804 755 E CB 0.095 29.830 29.700 0.059 0.000 0.741 755 E HN 0.424 nan 8.360 nan 0.000 0.458 756 K N -0.438 120.012 120.400 0.084 0.000 2.767 756 K HA 0.097 4.416 4.320 -0.002 0.000 0.286 756 K C -2.015 174.748 176.600 0.273 0.000 1.177 756 K CA -0.547 55.816 56.287 0.126 0.000 1.078 756 K CB 0.093 32.672 32.500 0.131 0.000 1.358 756 K HN 0.197 nan 8.250 nan 0.000 0.531 757 Y N 0.677 121.003 120.300 0.043 0.000 2.265 757 Y HA 0.337 4.886 4.550 -0.002 0.000 0.325 757 Y C -0.446 175.478 175.900 0.039 0.000 1.190 757 Y CA -1.122 57.002 58.100 0.041 0.000 1.224 757 Y CB 0.562 39.043 38.460 0.035 0.000 1.200 757 Y HN 0.469 nan 8.280 nan 0.000 0.421 758 D N 0.496 120.969 120.400 0.121 0.000 3.555 758 D HA -0.180 4.459 4.640 -0.002 0.000 0.215 758 D C -1.167 175.147 176.300 0.022 0.000 1.480 758 D CA 0.862 54.913 54.000 0.085 0.000 1.126 758 D CB -0.626 40.252 40.800 0.131 0.000 0.676 758 D HN 0.524 nan 8.370 nan 0.000 0.824 759 V N 0.088 120.014 119.914 0.021 0.000 2.380 759 V HA 0.472 4.591 4.120 -0.002 0.000 0.286 759 V C 0.063 176.154 176.094 -0.005 0.000 1.015 759 V CA -0.642 61.660 62.300 0.003 0.000 0.834 759 V CB 1.628 33.458 31.823 0.011 0.000 1.009 759 V HN 0.507 nan 8.190 nan 0.000 0.428 760 S N 2.798 118.481 115.700 -0.029 0.000 2.510 760 S HA 0.108 4.577 4.470 -0.002 0.000 0.279 760 S C 1.621 176.215 174.600 -0.009 0.000 1.284 760 S CA 0.178 58.363 58.200 -0.025 0.000 1.059 760 S CB 0.861 64.032 63.200 -0.048 0.000 0.901 760 S HN 1.042 nan 8.310 nan 0.000 0.491 761 S N 4.359 120.058 115.700 -0.001 0.000 2.383 761 S HA -0.235 4.234 4.470 -0.002 0.000 0.229 761 S C 1.764 176.363 174.600 -0.002 0.000 1.030 761 S CA 1.280 59.481 58.200 0.000 0.000 1.002 761 S CB -0.572 62.631 63.200 0.004 0.000 0.829 761 S HN 0.862 nan 8.310 nan 0.000 0.467 762 Q N 0.582 120.380 119.800 -0.004 0.000 2.181 762 Q HA -0.093 4.245 4.340 -0.002 0.000 0.205 762 Q C 2.004 178.000 176.000 -0.007 0.000 0.980 762 Q CA 1.562 57.362 55.803 -0.005 0.000 0.862 762 Q CB -0.218 28.517 28.738 -0.006 0.000 0.905 762 Q HN 0.546 nan 8.270 nan 0.000 0.429 763 V N 0.483 120.392 119.914 -0.010 0.000 2.407 763 V HA -0.201 3.918 4.120 -0.002 0.000 0.245 763 V C 2.198 178.292 176.094 -0.000 0.000 1.041 763 V CA 0.913 63.208 62.300 -0.007 0.000 1.040 763 V CB -0.257 31.559 31.823 -0.012 0.000 0.671 763 V HN 0.445 nan 8.190 nan 0.000 0.455 764 I N -0.156 120.414 120.570 0.000 0.000 2.493 764 I HA -0.154 4.015 4.170 -0.002 0.000 0.254 764 I C 2.574 178.691 176.117 0.000 0.000 1.160 764 I CA 1.480 62.782 61.300 0.003 0.000 1.445 764 I CB -0.714 37.286 38.000 0.000 0.000 1.086 764 I HN 0.326 nan 8.210 nan 0.000 0.433 765 S N 0.031 115.730 115.700 -0.002 0.000 2.355 765 S HA -0.174 4.295 4.470 -0.002 0.000 0.222 765 S C 1.881 176.479 174.600 -0.003 0.000 1.031 765 S CA 1.184 59.383 58.200 -0.003 0.000 0.993 765 S CB 0.084 63.283 63.200 -0.003 0.000 0.859 765 S HN 0.455 nan 8.310 nan 0.000 0.453 766 Q N 0.424 120.222 119.800 -0.003 0.000 2.083 766 Q HA -0.019 4.320 4.340 -0.002 0.000 0.198 766 Q C 2.258 178.255 176.000 -0.005 0.000 0.969 766 Q CA 0.815 56.615 55.803 -0.005 0.000 0.838 766 Q CB -0.491 28.244 28.738 -0.005 0.000 0.900 766 Q HN 0.459 nan 8.270 nan 0.000 0.436 767 L N 1.472 122.694 121.223 -0.001 0.000 2.043 767 L HA -0.232 4.107 4.340 -0.002 0.000 0.212 767 L C 1.899 178.767 176.870 -0.004 0.000 1.075 767 L CA 1.833 56.674 54.840 0.001 0.000 0.752 767 L CB -0.409 41.658 42.059 0.013 0.000 0.891 767 L HN 0.165 nan 8.230 nan 0.000 0.432 768 K N -0.143 120.255 120.400 -0.003 0.000 2.148 768 K HA -0.159 4.160 4.320 -0.002 0.000 0.204 768 K C 1.996 178.590 176.600 -0.011 0.000 1.050 768 K CA 1.161 57.444 56.287 -0.007 0.000 0.942 768 K CB -0.125 32.372 32.500 -0.005 0.000 0.724 768 K HN 0.591 nan 8.250 nan 0.000 0.446 769 Q N 0.632 120.426 119.800 -0.009 0.000 1.994 769 Q HA -0.049 4.290 4.340 -0.002 0.000 0.198 769 Q C 2.121 178.112 176.000 -0.014 0.000 0.976 769 Q CA 1.130 56.927 55.803 -0.010 0.000 0.828 769 Q CB -0.046 28.686 28.738 -0.008 0.000 0.894 769 Q HN 0.175 nan 8.270 nan 0.000 0.432 770 K N 0.568 120.958 120.400 -0.015 0.000 2.113 770 K HA -0.165 4.154 4.320 -0.002 0.000 0.208 770 K C 2.029 178.613 176.600 -0.026 0.000 1.047 770 K CA 1.095 57.370 56.287 -0.021 0.000 0.928 770 K CB -0.142 32.344 32.500 -0.023 0.000 0.716 770 K HN 0.203 nan 8.250 nan 0.000 0.446 771 L N 0.232 121.438 121.223 -0.028 0.000 2.179 771 L HA -0.100 4.239 4.340 -0.002 0.000 0.208 771 L C 2.446 179.297 176.870 -0.032 0.000 1.096 771 L CA 0.838 55.655 54.840 -0.037 0.000 0.779 771 L CB -0.239 41.794 42.059 -0.044 0.000 0.922 771 L HN 0.224 nan 8.230 nan 0.000 0.443 772 E N 0.363 120.549 120.200 -0.023 0.000 2.106 772 E HA -0.197 4.152 4.350 -0.002 0.000 0.192 772 E C 1.785 178.377 176.600 -0.013 0.000 0.984 772 E CA 0.886 57.275 56.400 -0.017 0.000 0.806 772 E CB 0.197 29.889 29.700 -0.013 0.000 0.750 772 E HN 0.439 nan 8.360 nan 0.000 0.458 773 N N 0.679 119.370 118.700 -0.014 0.000 2.084 773 N HA -0.154 4.585 4.740 -0.002 0.000 0.190 773 N C 1.963 177.465 175.510 -0.012 0.000 1.030 773 N CA 0.882 53.925 53.050 -0.012 0.000 0.849 773 N CB -0.362 38.117 38.487 -0.014 0.000 1.012 773 N HN 0.179 nan 8.380 nan 0.000 0.423 774 L N 0.546 121.758 121.223 -0.018 0.000 1.976 774 L HA -0.205 4.134 4.340 -0.002 0.000 0.209 774 L C 2.462 179.329 176.870 -0.005 0.000 1.071 774 L CA 1.209 56.039 54.840 -0.017 0.000 0.746 774 L CB -0.590 41.452 42.059 -0.029 0.000 0.890 774 L HN 0.156 nan 8.230 nan 0.000 0.432 775 Q N 0.416 120.212 119.800 -0.007 0.000 2.224 775 Q HA -0.277 4.062 4.340 -0.002 0.000 0.213 775 Q C 1.712 177.720 176.000 0.014 0.000 0.998 775 Q CA 2.365 58.171 55.803 0.005 0.000 0.895 775 Q CB -0.173 28.561 28.738 -0.007 0.000 0.926 775 Q HN 0.397 nan 8.270 nan 0.000 0.417 776 N N -1.441 117.264 118.700 0.007 0.000 2.158 776 N HA 0.039 4.778 4.740 -0.002 0.000 0.190 776 N C -0.065 175.453 175.510 0.013 0.000 1.060 776 N CA 1.476 54.532 53.050 0.010 0.000 0.872 776 N CB 0.013 38.504 38.487 0.005 0.000 1.055 776 N HN 0.018 nan 8.380 nan 0.000 0.452 777 S N 0.253 115.958 115.700 0.009 0.000 2.560 777 S HA 0.338 4.807 4.470 -0.002 0.000 0.227 777 S C -0.027 174.577 174.600 0.007 0.000 1.280 777 S CA -0.390 57.816 58.200 0.010 0.000 1.260 777 S CB 0.323 63.528 63.200 0.007 0.000 1.002 777 S HN 0.274 nan 8.310 nan 0.000 0.509 778 Q N -0.127 119.678 119.800 0.010 0.000 1.893 778 Q HA 0.245 4.584 4.340 -0.002 0.000 0.151 778 Q C 0.102 176.109 176.000 0.011 0.000 0.546 778 Q CA -0.235 55.571 55.803 0.004 0.000 0.832 778 Q CB 0.052 28.786 28.738 -0.006 0.000 1.005 778 Q HN 0.444 nan 8.270 nan 0.000 0.281 779 L N 5.536 126.770 121.223 0.017 0.000 2.628 779 L HA 0.048 4.387 4.340 -0.002 0.000 0.274 779 L C -2.076 174.832 176.870 0.064 0.000 1.209 779 L CA -0.988 53.873 54.840 0.036 0.000 0.930 779 L CB 0.374 42.470 42.059 0.061 0.000 1.183 779 L HN 0.000 nan 8.230 nan 0.000 0.492 780 P HA -0.046 nan 4.420 nan 0.000 0.264 780 P C 0.462 177.845 177.300 0.138 0.000 1.183 780 P CA -0.050 63.103 63.100 0.088 0.000 0.763 780 P CB 0.498 32.245 31.700 0.079 0.000 0.807 781 E N 1.097 121.362 120.200 0.108 0.000 2.172 781 E HA -0.211 4.138 4.350 -0.002 0.000 0.213 781 E C 0.359 177.039 176.600 0.133 0.000 1.051 781 E CA 2.041 58.503 56.400 0.104 0.000 0.860 781 E CB -0.210 29.538 29.700 0.080 0.000 0.755 781 E HN 0.688 nan 8.360 nan 0.000 0.462 782 S N -1.045 114.742 115.700 0.146 0.000 2.542 782 S HA 0.521 4.990 4.470 -0.002 0.000 0.276 782 S C -0.727 173.964 174.600 0.152 0.000 1.148 782 S CA -1.117 57.155 58.200 0.120 0.000 0.886 782 S CB 1.016 64.224 63.200 0.014 0.000 1.109 782 S HN 0.190 nan 8.310 nan 0.000 0.458 783 F N -0.395 119.529 119.950 -0.044 0.000 2.593 783 F HA 0.784 5.309 4.527 -0.002 0.000 0.320 783 F C -0.047 175.672 175.800 -0.135 0.000 1.060 783 F CA -1.383 56.566 58.000 -0.086 0.000 0.940 783 F CB 1.134 40.087 39.000 -0.079 0.000 1.268 783 F HN 0.635 nan 8.300 nan 0.000 0.475 784 R N 1.271 121.731 120.500 -0.067 0.000 2.490 784 R HA 0.466 4.804 4.340 -0.002 0.000 0.280 784 R C -1.021 175.178 176.300 -0.169 0.000 1.077 784 R CA -0.717 55.263 56.100 -0.200 0.000 1.065 784 R CB 1.430 31.623 30.300 -0.178 0.000 1.003 784 R HN 0.631 nan 8.270 nan 0.000 0.470 785 V N 6.705 126.397 119.914 -0.370 0.000 2.439 785 V HA 0.035 4.154 4.120 -0.002 0.000 0.271 785 V C -1.491 174.353 176.094 -0.416 0.000 1.040 785 V CA -1.166 60.855 62.300 -0.465 0.000 1.002 785 V CB 1.132 32.550 31.823 -0.676 0.000 1.000 785 V HN 0.690 nan 8.190 nan 0.000 0.477 786 P HA -0.183 nan 4.420 nan 0.000 0.216 786 P C 1.192 178.375 177.300 -0.196 0.000 1.153 786 P CA 1.569 64.456 63.100 -0.354 0.000 0.858 786 P CB -0.049 31.105 31.700 -0.911 0.000 0.789 787 Y N -2.288 117.935 120.300 -0.129 0.000 2.529 787 Y HA 0.342 4.891 4.550 -0.001 0.000 0.290 787 Y C 0.088 176.073 175.900 0.142 0.000 1.177 787 Y CA -0.391 57.742 58.100 0.056 0.000 1.305 787 Y CB -0.728 37.761 38.460 0.049 0.000 1.047 787 Y HN -0.139 nan 8.280 nan 0.000 0.522 788 D N 0.651 121.060 120.400 0.016 0.000 3.361 788 D HA 0.121 4.760 4.640 -0.002 0.000 0.246 788 D C -2.555 173.618 176.300 -0.212 0.000 1.395 788 D CA -1.465 52.563 54.000 0.046 0.000 0.839 788 D CB 0.792 41.681 40.800 0.148 0.000 1.469 788 D HN -0.019 nan 8.370 nan 0.000 0.636 789 P HA 0.029 nan 4.420 nan 0.000 0.236 789 P C 1.319 178.418 177.300 -0.334 0.000 1.172 789 P CA 0.440 63.189 63.100 -0.585 0.000 0.759 789 P CB 0.193 31.232 31.700 -1.102 0.000 0.843 790 G N -0.033 108.649 108.800 -0.197 0.000 2.430 790 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.216 790 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.216 790 G C 0.642 175.436 174.900 -0.177 0.000 1.146 790 G CA -0.059 44.959 45.100 -0.137 0.000 0.793 790 G HN 0.247 nan 8.290 nan 0.000 0.537 791 L N 1.599 122.706 121.223 -0.193 0.000 2.278 791 L HA 0.276 4.615 4.340 -0.002 0.000 0.287 791 L C -0.163 176.539 176.870 -0.279 0.000 1.072 791 L CA -0.363 54.353 54.840 -0.206 0.000 0.819 791 L CB 1.202 43.152 42.059 -0.183 0.000 1.176 791 L HN -0.004 nan 8.230 nan 0.000 0.435 792 K N 4.262 124.509 120.400 -0.255 0.000 2.264 792 K HA 0.433 4.752 4.320 -0.002 0.000 0.277 792 K C -0.120 176.259 176.600 -0.368 0.000 1.067 792 K CA -0.406 55.696 56.287 -0.308 0.000 0.900 792 K CB 1.588 33.967 32.500 -0.203 0.000 1.124 792 K HN 0.619 nan 8.250 nan 0.000 0.469 793 A N 2.807 125.229 122.820 -0.662 0.000 2.386 793 A HA 0.514 4.833 4.320 -0.002 0.000 0.248 793 A C 0.666 178.017 177.584 -0.389 0.000 1.082 793 A CA 0.181 51.810 52.037 -0.679 0.000 0.789 793 A CB 0.629 18.767 19.000 -1.436 0.000 1.025 793 A HN 0.833 nan 8.150 nan 0.000 0.490 794 G N -0.472 108.302 108.800 -0.043 0.000 3.414 794 G HA2 0.593 4.552 3.960 -0.002 0.000 0.189 794 G HA3 0.593 4.552 3.960 -0.002 0.000 0.189 794 G C 0.327 175.380 174.900 0.254 0.000 1.329 794 G CA 0.161 45.312 45.100 0.085 0.000 0.851 794 G HN 1.421 nan 8.290 nan 0.000 0.671 795 A N -0.663 122.255 122.820 0.163 0.000 2.351 795 A HA 0.643 4.962 4.320 -0.002 0.000 0.257 795 A C 0.304 177.913 177.584 0.042 0.000 1.087 795 A CA -0.390 51.720 52.037 0.122 0.000 0.798 795 A CB 0.099 19.134 19.000 0.058 0.000 1.033 795 A HN 0.493 nan 8.150 nan 0.000 0.488 796 L N 0.356 121.498 121.223 -0.135 0.000 2.473 796 L HA 0.295 4.634 4.340 -0.002 0.000 0.265 796 L C 1.007 177.776 176.870 -0.168 0.000 1.243 796 L CA 0.447 55.053 54.840 -0.390 0.000 0.822 796 L CB 0.427 42.240 42.059 -0.409 0.000 1.101 796 L HN 0.765 nan 8.230 nan 0.000 0.507 797 A N 1.113 123.838 122.820 -0.158 0.000 3.064 797 A HA 0.425 4.744 4.320 -0.002 0.000 0.339 797 A C 0.845 178.401 177.584 -0.045 0.000 1.078 797 A CA -0.470 51.535 52.037 -0.052 0.000 0.869 797 A CB -0.256 18.747 19.000 0.004 0.000 1.067 797 A HN 0.683 nan 8.150 nan 0.000 0.480 798 I N 0.368 120.903 120.570 -0.058 0.000 2.229 798 I HA -0.341 3.828 4.170 -0.002 0.000 0.250 798 I C 2.078 178.187 176.117 -0.012 0.000 1.096 798 I CA 1.888 63.164 61.300 -0.040 0.000 1.358 798 I CB -0.166 37.812 38.000 -0.036 0.000 1.047 798 I HN 0.583 nan 8.210 nan 0.000 0.422 799 E N 0.649 120.846 120.200 -0.006 0.000 2.160 799 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 799 E C 2.021 178.625 176.600 0.006 0.000 0.991 799 E CA 1.251 57.651 56.400 -0.000 0.000 0.810 799 E CB -0.266 29.435 29.700 0.002 0.000 0.742 799 E HN 0.501 nan 8.360 nan 0.000 0.466 800 K N -0.351 120.065 120.400 0.026 0.000 2.284 800 K HA 0.165 4.484 4.320 -0.002 0.000 0.198 800 K C 0.308 176.964 176.600 0.092 0.000 1.048 800 K CA 0.153 56.470 56.287 0.050 0.000 0.987 800 K CB 0.251 32.814 32.500 0.105 0.000 0.800 800 K HN 0.060 nan 8.250 nan 0.000 0.486 801 C N 3.235 122.599 119.300 0.108 0.000 2.679 801 C HA 0.154 4.613 4.460 -0.002 0.000 0.417 801 C C 0.387 175.440 174.990 0.105 0.000 1.302 801 C CA -0.410 58.702 59.018 0.156 0.000 1.973 801 C CB -0.823 26.960 27.740 0.072 0.000 2.715 801 C HN 0.511 nan 8.230 nan 0.000 0.628 802 K N 0.177 120.669 120.400 0.154 0.000 2.672 802 K HA 0.640 4.959 4.320 -0.002 0.000 0.295 802 K C -2.083 174.599 176.600 0.136 0.000 1.042 802 K CA -0.819 55.524 56.287 0.093 0.000 0.869 802 K CB 0.690 33.199 32.500 0.015 0.000 1.541 802 K HN 0.229 nan 8.250 nan 0.000 0.396 803 V N 1.832 121.800 119.914 0.089 0.000 2.481 803 V HA 0.330 4.449 4.120 -0.002 0.000 0.286 803 V C 0.303 176.455 176.094 0.097 0.000 1.042 803 V CA -0.750 61.609 62.300 0.099 0.000 0.928 803 V CB 1.342 33.202 31.823 0.062 0.000 0.986 803 V HN 0.663 nan 8.190 nan 0.000 0.462 804 M N 2.824 122.501 119.600 0.129 0.000 2.197 804 M HA 0.462 4.941 4.480 -0.002 0.000 0.305 804 M C 0.706 177.053 176.300 0.079 0.000 1.162 804 M CA -0.180 55.193 55.300 0.121 0.000 1.099 804 M CB 1.163 33.864 32.600 0.169 0.000 1.430 804 M HN 0.699 nan 8.290 nan 0.000 0.481 805 A N 1.260 124.120 122.820 0.067 0.000 3.181 805 A HA 0.323 4.642 4.320 -0.002 0.000 0.293 805 A C 0.307 177.930 177.584 0.065 0.000 1.346 805 A CA -0.225 51.845 52.037 0.056 0.000 1.018 805 A CB -0.314 18.712 19.000 0.044 0.000 1.093 805 A HN 0.770 nan 8.150 nan 0.000 0.629 806 S N -0.200 115.541 115.700 0.068 0.000 2.337 806 S HA 0.426 4.895 4.470 -0.002 0.000 0.258 806 S C 1.194 175.839 174.600 0.075 0.000 1.178 806 S CA 0.430 58.672 58.200 0.070 0.000 1.023 806 S CB 0.542 63.780 63.200 0.063 0.000 1.136 806 S HN 0.374 nan 8.310 nan 0.000 0.458 807 K N 0.266 120.710 120.400 0.073 0.000 2.424 807 K HA 0.322 4.641 4.320 -0.002 0.000 0.200 807 K C -0.155 176.481 176.600 0.060 0.000 1.279 807 K CA 0.041 56.371 56.287 0.072 0.000 0.918 807 K CB -0.154 32.396 32.500 0.083 0.000 1.287 807 K HN 0.352 nan 8.250 nan 0.000 0.502 808 K N 1.998 122.431 120.400 0.055 0.000 2.202 808 K HA 0.202 4.521 4.320 -0.002 0.000 0.264 808 K C -0.287 176.354 176.600 0.070 0.000 1.010 808 K CA -0.129 56.192 56.287 0.055 0.000 0.940 808 K CB 0.470 32.986 32.500 0.027 0.000 0.983 808 K HN -0.164 nan 8.250 nan 0.000 0.475 809 K N 2.453 122.905 120.400 0.087 0.000 2.562 809 K HA 0.278 4.597 4.320 -0.002 0.000 0.206 809 K C -2.449 174.218 176.600 0.113 0.000 1.033 809 K CA -1.667 54.673 56.287 0.088 0.000 1.029 809 K CB 1.140 33.682 32.500 0.070 0.000 1.393 809 K HN 0.501 nan 8.250 nan 0.000 0.539 810 P HA 0.227 nan 4.420 nan 0.000 0.274 810 P C -0.304 177.103 177.300 0.178 0.000 1.246 810 P CA -0.474 62.717 63.100 0.152 0.000 0.795 810 P CB 1.004 32.780 31.700 0.127 0.000 1.006 811 L N 1.197 122.550 121.223 0.217 0.000 2.277 811 L HA 0.301 4.640 4.340 -0.002 0.000 0.284 811 L C 0.528 177.572 176.870 0.290 0.000 1.028 811 L CA -0.746 54.235 54.840 0.234 0.000 0.835 811 L CB 0.678 42.855 42.059 0.197 0.000 1.215 811 L HN 0.462 nan 8.230 nan 0.000 0.425 812 W N 6.642 128.012 121.300 0.117 0.000 2.774 812 W HA 0.213 4.872 4.660 -0.002 0.000 0.353 812 W C -1.272 175.328 176.519 0.135 0.000 1.373 812 W CA -0.096 57.320 57.345 0.118 0.000 1.432 812 W CB 0.227 29.734 29.460 0.079 0.000 1.545 812 W HN 0.438 nan 8.180 nan 0.000 0.531 813 L N 6.050 127.410 121.223 0.230 0.000 2.334 813 L HA 0.479 4.818 4.340 -0.002 0.000 0.276 813 L C 0.021 177.057 176.870 0.278 0.000 1.014 813 L CA -0.827 54.179 54.840 0.277 0.000 0.815 813 L CB 2.096 44.378 42.059 0.372 0.000 1.268 813 L HN 0.214 nan 8.230 nan 0.000 0.428 814 E N 1.960 122.271 120.200 0.185 0.000 2.272 814 E HA 0.579 4.928 4.350 -0.002 0.000 0.269 814 E C -1.719 174.888 176.600 0.011 0.000 0.877 814 E CA -0.594 55.944 56.400 0.230 0.000 0.755 814 E CB 2.854 32.709 29.700 0.259 0.000 1.192 814 E HN 0.216 nan 8.360 nan 0.000 0.422 815 F N 1.114 121.130 119.950 0.111 0.000 2.551 815 F HA 0.390 4.916 4.527 -0.002 0.000 0.316 815 F C 0.482 176.306 175.800 0.040 0.000 1.089 815 F CA -0.933 57.116 58.000 0.081 0.000 0.915 815 F CB 1.570 40.608 39.000 0.064 0.000 1.186 815 F HN 0.103 nan 8.300 nan 0.000 0.456 816 K N 0.620 121.129 120.400 0.181 0.000 2.219 816 K HA 0.305 4.624 4.320 -0.002 0.000 0.258 816 K C -0.653 175.999 176.600 0.086 0.000 1.008 816 K CA -0.356 55.995 56.287 0.107 0.000 0.928 816 K CB 0.800 33.341 32.500 0.068 0.000 0.983 816 K HN 0.689 nan 8.250 nan 0.000 0.484 817 C N 2.407 121.727 119.300 0.034 0.000 2.285 817 C HA 0.421 4.880 4.460 -0.002 0.000 0.335 817 C C 1.592 176.563 174.990 -0.031 0.000 1.267 817 C CA -0.430 58.577 59.018 -0.020 0.000 1.762 817 C CB -0.717 27.010 27.740 -0.022 0.000 2.365 817 C HN 0.883 nan 8.230 nan 0.000 0.527 818 A N 3.707 126.489 122.820 -0.063 0.000 1.978 818 A HA -0.051 4.268 4.320 -0.002 0.000 0.220 818 A C 1.103 178.660 177.584 -0.046 0.000 1.170 818 A CA 1.343 53.351 52.037 -0.049 0.000 0.636 818 A CB -0.377 18.580 19.000 -0.071 0.000 0.810 818 A HN 0.910 nan 8.150 nan 0.000 0.448 819 D N -0.233 120.128 120.400 -0.064 0.000 2.339 819 D HA 0.208 4.847 4.640 -0.002 0.000 0.256 819 D C -1.589 174.685 176.300 -0.043 0.000 1.214 819 D CA -1.789 52.174 54.000 -0.062 0.000 0.877 819 D CB 1.252 41.998 40.800 -0.091 0.000 1.111 819 D HN 0.158 nan 8.370 nan 0.000 0.478 820 P HA -0.014 nan 4.420 nan 0.000 0.245 820 P C 0.800 178.092 177.300 -0.015 0.000 1.206 820 P CA 0.459 63.550 63.100 -0.015 0.000 0.781 820 P CB 0.072 31.768 31.700 -0.006 0.000 0.994 821 T N -3.321 111.216 114.554 -0.029 0.000 3.169 821 T HA 0.394 4.743 4.350 -0.002 0.000 0.250 821 T C 0.985 175.656 174.700 -0.049 0.000 1.111 821 T CA -0.284 61.799 62.100 -0.029 0.000 1.010 821 T CB -0.593 68.246 68.868 -0.048 0.000 0.984 821 T HN 0.083 nan 8.240 nan 0.000 0.537 822 A N 1.103 123.894 122.820 -0.048 0.000 2.498 822 A HA 0.487 4.806 4.320 -0.002 0.000 0.239 822 A C 1.200 178.759 177.584 -0.042 0.000 1.068 822 A CA -0.441 51.566 52.037 -0.050 0.000 0.766 822 A CB -0.074 18.906 19.000 -0.034 0.000 1.003 822 A HN 0.414 nan 8.150 nan 0.000 0.497 823 L N 1.904 123.089 121.223 -0.064 0.000 2.395 823 L HA 0.048 4.387 4.340 -0.002 0.000 0.218 823 L C 1.379 178.219 176.870 -0.050 0.000 1.130 823 L CA 1.533 56.318 54.840 -0.093 0.000 0.826 823 L CB -0.042 41.888 42.059 -0.214 0.000 0.941 823 L HN 0.719 nan 8.230 nan 0.000 0.451 824 S N -1.874 113.814 115.700 -0.019 0.000 2.689 824 S HA 0.328 4.797 4.470 -0.002 0.000 0.306 824 S C 0.598 175.206 174.600 0.013 0.000 1.104 824 S CA -0.641 57.561 58.200 0.003 0.000 0.973 824 S CB 1.058 64.272 63.200 0.023 0.000 1.121 824 S HN 0.305 nan 8.310 nan 0.000 0.523 825 N N 0.084 118.799 118.700 0.024 0.000 2.282 825 N HA 0.129 4.868 4.740 -0.002 0.000 0.185 825 N C -0.320 175.218 175.510 0.046 0.000 1.099 825 N CA -0.129 52.939 53.050 0.031 0.000 0.878 825 N CB 0.409 38.913 38.487 0.029 0.000 0.993 825 N HN 0.577 nan 8.380 nan 0.000 0.481 826 E N 1.894 122.127 120.200 0.055 0.000 2.459 826 E HA -0.041 4.308 4.350 -0.002 0.000 0.264 826 E C 0.170 176.821 176.600 0.084 0.000 1.055 826 E CA 0.448 56.893 56.400 0.075 0.000 0.957 826 E CB 0.591 30.339 29.700 0.081 0.000 0.952 826 E HN 0.185 nan 8.360 nan 0.000 0.448 827 T N -0.247 114.373 114.554 0.110 0.000 2.922 827 T HA 0.417 4.766 4.350 -0.002 0.000 0.285 827 T C 0.375 175.158 174.700 0.138 0.000 1.005 827 T CA -0.786 61.392 62.100 0.131 0.000 1.061 827 T CB 0.568 69.534 68.868 0.164 0.000 1.007 827 T HN 0.276 nan 8.240 nan 0.000 0.502 828 I N 2.543 123.200 120.570 0.146 0.000 2.406 828 I HA 0.309 4.478 4.170 -0.002 0.000 0.293 828 I C 1.320 177.564 176.117 0.212 0.000 1.101 828 I CA -0.085 61.295 61.300 0.134 0.000 1.334 828 I CB -0.122 37.899 38.000 0.036 0.000 1.421 828 I HN 0.891 nan 8.210 nan 0.000 0.513 829 G N 7.663 116.554 108.800 0.152 0.000 2.415 829 G HA2 0.693 4.652 3.960 -0.002 0.000 0.269 829 G HA3 0.693 4.652 3.960 -0.002 0.000 0.269 829 G C -0.491 174.443 174.900 0.057 0.000 1.209 829 G CA -0.335 44.807 45.100 0.069 0.000 0.835 829 G HN 0.550 nan 8.290 nan 0.000 0.534 830 I N 1.555 122.130 120.570 0.010 0.000 2.680 830 I HA 0.256 4.425 4.170 -0.002 0.000 0.291 830 I C -0.643 175.449 176.117 -0.041 0.000 1.244 830 I CA -0.589 60.740 61.300 0.049 0.000 1.042 830 I CB 2.316 40.450 38.000 0.224 0.000 1.277 830 I HN 0.250 nan 8.210 nan 0.000 0.423 831 I N 4.731 125.213 120.570 -0.147 0.000 2.488 831 I HA 0.420 4.589 4.170 -0.002 0.000 0.299 831 I C -1.047 175.033 176.117 -0.061 0.000 0.984 831 I CA -0.447 60.802 61.300 -0.085 0.000 1.250 831 I CB 1.517 39.417 38.000 -0.168 0.000 1.389 831 I HN 0.334 nan 8.210 nan 0.000 0.488 832 F N 4.456 124.428 119.950 0.036 0.000 2.518 832 F HA 0.470 4.996 4.527 -0.002 0.000 0.323 832 F C -0.168 175.672 175.800 0.067 0.000 1.129 832 F CA -0.629 57.405 58.000 0.057 0.000 0.920 832 F CB 1.797 40.839 39.000 0.071 0.000 1.160 832 F HN 0.260 nan 8.300 nan 0.000 0.440 833 K N 2.776 123.299 120.400 0.204 0.000 2.513 833 K HA 0.441 4.760 4.320 -0.002 0.000 0.251 833 K C -2.068 174.652 176.600 0.200 0.000 0.939 833 K CA -0.696 55.689 56.287 0.163 0.000 0.793 833 K CB 1.192 33.734 32.500 0.070 0.000 1.241 833 K HN 0.679 nan 8.250 nan 0.000 0.431 834 H N 2.133 121.268 119.070 0.107 0.000 2.539 834 H HA 0.643 5.198 4.556 -0.002 0.000 0.332 834 H C 0.390 175.760 175.328 0.071 0.000 1.031 834 H CA 0.534 56.635 56.048 0.089 0.000 1.206 834 H CB 1.662 31.478 29.762 0.090 0.000 1.446 834 H HN 0.786 nan 8.280 nan 0.000 0.496 835 G N 4.226 112.727 108.800 -0.498 0.000 3.768 835 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.214 835 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.214 835 G C -0.594 174.204 174.900 -0.171 0.000 1.058 835 G CA -0.176 44.691 45.100 -0.389 0.000 0.890 835 G HN 0.597 nan 8.290 nan 0.000 0.393 836 D N 1.312 121.660 120.400 -0.087 0.000 2.225 836 D HA 0.481 5.120 4.640 -0.002 0.000 0.249 836 D C -0.910 175.375 176.300 -0.025 0.000 1.052 836 D CA -0.152 53.825 54.000 -0.037 0.000 0.909 836 D CB 1.876 42.670 40.800 -0.010 0.000 1.186 836 D HN 0.159 nan 8.370 nan 0.000 0.431 837 D N 1.562 121.949 120.400 -0.023 0.000 2.374 837 D HA 0.034 4.673 4.640 -0.002 0.000 0.240 837 D C 0.736 177.038 176.300 0.003 0.000 1.229 837 D CA -0.353 53.640 54.000 -0.011 0.000 0.895 837 D CB 0.462 41.241 40.800 -0.034 0.000 1.046 837 D HN 0.006 nan 8.370 nan 0.000 0.498 838 L N 3.790 125.030 121.223 0.028 0.000 2.465 838 L HA 0.101 4.440 4.340 -0.002 0.000 0.224 838 L C 2.166 179.065 176.870 0.049 0.000 1.145 838 L CA 0.904 55.773 54.840 0.049 0.000 0.834 838 L CB -0.578 41.513 42.059 0.052 0.000 0.944 838 L HN 0.471 nan 8.230 nan 0.000 0.451 839 R N -0.920 119.595 120.500 0.026 0.000 2.091 839 R HA -0.205 4.134 4.340 -0.002 0.000 0.238 839 R C 2.158 178.450 176.300 -0.014 0.000 1.136 839 R CA 1.454 57.556 56.100 0.005 0.000 0.959 839 R CB -0.170 30.123 30.300 -0.011 0.000 0.856 839 R HN 0.445 nan 8.270 nan 0.000 0.437 840 Q N 0.484 120.271 119.800 -0.021 0.000 2.014 840 Q HA -0.215 4.124 4.340 -0.002 0.000 0.207 840 Q C 1.664 177.688 176.000 0.041 0.000 0.993 840 Q CA 2.234 58.024 55.803 -0.022 0.000 0.850 840 Q CB -0.124 28.579 28.738 -0.058 0.000 0.916 840 Q HN 0.320 nan 8.270 nan 0.000 0.417 841 D N -0.138 120.329 120.400 0.111 0.000 2.149 841 D HA -0.185 4.454 4.640 -0.002 0.000 0.198 841 D C 1.727 178.099 176.300 0.120 0.000 0.990 841 D CA 1.173 55.304 54.000 0.218 0.000 0.839 841 D CB -0.118 40.843 40.800 0.268 0.000 0.948 841 D HN 0.221 nan 8.370 nan 0.000 0.460 842 M N -0.369 119.273 119.600 0.071 0.000 2.082 842 M HA -0.179 4.300 4.480 -0.002 0.000 0.258 842 M C 1.823 178.100 176.300 -0.039 0.000 1.069 842 M CA 1.039 56.360 55.300 0.036 0.000 1.102 842 M CB -0.160 32.460 32.600 0.034 0.000 1.336 842 M HN 0.109 nan 8.290 nan 0.000 0.404 843 L N 0.316 121.501 121.223 -0.063 0.000 2.023 843 L HA -0.133 4.206 4.340 -0.002 0.000 0.205 843 L C 2.184 178.984 176.870 -0.117 0.000 1.073 843 L CA 1.502 56.279 54.840 -0.105 0.000 0.745 843 L CB -0.767 41.231 42.059 -0.101 0.000 0.900 843 L HN 0.210 nan 8.230 nan 0.000 0.435 844 I N -0.756 119.736 120.570 -0.129 0.000 2.248 844 I HA -0.290 3.879 4.170 -0.002 0.000 0.248 844 I C 2.371 178.301 176.117 -0.311 0.000 1.107 844 I CA 1.111 62.265 61.300 -0.244 0.000 1.373 844 I CB -1.164 36.594 38.000 -0.404 0.000 1.055 844 I HN 0.226 nan 8.210 nan 0.000 0.418 845 L N 0.123 121.206 121.223 -0.232 0.000 2.093 845 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 845 L C 2.484 179.265 176.870 -0.147 0.000 1.085 845 L CA 1.532 56.253 54.840 -0.198 0.000 0.755 845 L CB -1.481 40.505 42.059 -0.121 0.000 0.904 845 L HN 0.262 nan 8.230 nan 0.000 0.435 846 Q N -0.461 119.264 119.800 -0.124 0.000 2.230 846 Q HA -0.061 4.278 4.340 -0.002 0.000 0.202 846 Q C 2.157 178.087 176.000 -0.116 0.000 0.963 846 Q CA 1.198 56.934 55.803 -0.113 0.000 0.866 846 Q CB -0.038 28.625 28.738 -0.125 0.000 0.931 846 Q HN 0.463 nan 8.270 nan 0.000 0.452 847 I N -0.862 119.634 120.570 -0.124 0.000 2.141 847 I HA -0.269 3.899 4.170 -0.002 0.000 0.236 847 I C 1.525 177.547 176.117 -0.158 0.000 1.071 847 I CA 0.506 61.738 61.300 -0.113 0.000 1.345 847 I CB -0.315 37.634 38.000 -0.086 0.000 1.066 847 I HN 0.187 nan 8.210 nan 0.000 0.406 848 L N 0.668 121.782 121.223 -0.181 0.000 2.119 848 L HA -0.356 3.983 4.340 -0.002 0.000 0.226 848 L C 2.554 179.322 176.870 -0.170 0.000 1.093 848 L CA 2.042 56.766 54.840 -0.194 0.000 0.806 848 L CB -0.940 41.015 42.059 -0.174 0.000 0.902 848 L HN 0.192 nan 8.230 nan 0.000 0.444 849 R N -1.190 119.237 120.500 -0.121 0.000 2.096 849 R HA -0.109 4.230 4.340 -0.002 0.000 0.235 849 R C 2.336 178.603 176.300 -0.056 0.000 1.127 849 R CA 1.430 57.492 56.100 -0.064 0.000 0.968 849 R CB -0.387 29.884 30.300 -0.049 0.000 0.861 849 R HN 0.357 nan 8.270 nan 0.000 0.440 850 I N 0.595 121.091 120.570 -0.123 0.000 2.202 850 I HA -0.306 3.863 4.170 -0.002 0.000 0.242 850 I C 2.436 178.360 176.117 -0.321 0.000 1.091 850 I CA 1.368 62.545 61.300 -0.205 0.000 1.368 850 I CB -0.097 37.807 38.000 -0.160 0.000 1.058 850 I HN 0.167 nan 8.210 nan 0.000 0.410 851 M N -0.283 119.081 119.600 -0.393 0.000 2.082 851 M HA -0.295 4.184 4.480 -0.002 0.000 0.258 851 M C 2.191 178.019 176.300 -0.787 0.000 1.069 851 M CA 1.908 56.773 55.300 -0.725 0.000 1.102 851 M CB -0.660 31.446 32.600 -0.822 0.000 1.336 851 M HN 0.228 nan 8.290 nan 0.000 0.404 852 E N 0.090 120.054 120.200 -0.394 0.000 2.110 852 E HA -0.174 4.175 4.350 -0.002 0.000 0.193 852 E C 2.076 178.624 176.600 -0.086 0.000 0.988 852 E CA 1.712 58.047 56.400 -0.107 0.000 0.804 852 E CB -0.125 29.574 29.700 -0.001 0.000 0.745 852 E HN 0.566 nan 8.360 nan 0.000 0.458 853 S N 0.293 115.884 115.700 -0.182 0.000 2.447 853 S HA -0.095 4.374 4.470 -0.002 0.000 0.233 853 S C 1.913 176.381 174.600 -0.220 0.000 1.006 853 S CA 0.492 58.555 58.200 -0.228 0.000 0.957 853 S CB -0.221 62.643 63.200 -0.560 0.000 0.773 853 S HN 0.151 nan 8.310 nan 0.000 0.507 854 I N -0.096 120.284 120.570 -0.316 0.000 2.206 854 I HA -0.034 4.135 4.170 -0.002 0.000 0.239 854 I C 2.209 178.298 176.117 -0.046 0.000 1.078 854 I CA 0.867 61.963 61.300 -0.341 0.000 1.367 854 I CB -0.383 37.256 38.000 -0.601 0.000 1.078 854 I HN 0.319 nan 8.210 nan 0.000 0.413 855 W N 1.399 122.666 121.300 -0.055 0.000 2.359 855 W HA -0.201 4.458 4.660 -0.002 0.000 0.275 855 W C 2.380 178.919 176.519 0.033 0.000 1.217 855 W CA 0.995 58.330 57.345 -0.018 0.000 1.196 855 W CB -1.067 28.358 29.460 -0.057 0.000 1.129 855 W HN 0.352 nan 8.180 nan 0.000 0.566 856 E N 0.091 120.424 120.200 0.222 0.000 2.072 856 E HA -0.174 4.175 4.350 -0.002 0.000 0.190 856 E C 2.202 178.899 176.600 0.162 0.000 0.982 856 E CA 2.212 58.745 56.400 0.222 0.000 0.803 856 E CB -0.034 29.738 29.700 0.121 0.000 0.755 856 E HN 0.227 nan 8.360 nan 0.000 0.453 857 T N -0.911 113.702 114.554 0.098 0.000 2.849 857 T HA -0.147 4.202 4.350 -0.002 0.000 0.270 857 T C 1.138 175.900 174.700 0.103 0.000 1.066 857 T CA 1.253 63.400 62.100 0.079 0.000 1.130 857 T CB -0.158 68.753 68.868 0.072 0.000 0.864 857 T HN 0.184 nan 8.240 nan 0.000 0.481 858 E N 0.849 121.140 120.200 0.152 0.000 2.585 858 E HA 0.356 4.705 4.350 -0.002 0.000 0.206 858 E C -0.065 176.629 176.600 0.158 0.000 1.007 858 E CA -0.222 56.257 56.400 0.131 0.000 1.028 858 E CB 0.395 30.180 29.700 0.142 0.000 1.087 858 E HN 0.376 nan 8.360 nan 0.000 0.455 859 S N 0.527 116.362 115.700 0.226 0.000 3.635 859 S HA -0.189 4.280 4.470 -0.002 0.000 0.328 859 S C 0.026 174.849 174.600 0.373 0.000 1.135 859 S CA 0.493 58.903 58.200 0.351 0.000 0.942 859 S CB -1.337 61.986 63.200 0.205 0.000 0.930 859 S HN 0.394 nan 8.310 nan 0.000 0.512 860 L N 1.293 122.641 121.223 0.208 0.000 2.329 860 L HA 0.667 5.006 4.340 -0.002 0.000 0.279 860 L C -0.281 176.351 176.870 -0.396 0.000 1.014 860 L CA -0.526 54.252 54.840 -0.104 0.000 0.814 860 L CB 1.609 43.603 42.059 -0.107 0.000 1.257 860 L HN 0.111 nan 8.230 nan 0.000 0.424 861 D N 3.023 123.030 120.400 -0.655 0.000 2.757 861 D HA 0.314 4.953 4.640 -0.002 0.000 0.249 861 D C -0.204 175.876 176.300 -0.365 0.000 1.168 861 D CA -0.417 53.193 54.000 -0.651 0.000 0.870 861 D CB 1.639 41.783 40.800 -1.094 0.000 1.411 861 D HN 0.195 nan 8.370 nan 0.000 0.525 862 L N 2.711 123.820 121.223 -0.190 0.000 2.858 862 L HA 0.199 4.538 4.340 -0.002 0.000 0.251 862 L C 0.629 177.484 176.870 -0.025 0.000 1.149 862 L CA 0.051 54.822 54.840 -0.115 0.000 0.955 862 L CB -0.949 40.961 42.059 -0.248 0.000 1.289 862 L HN 0.700 nan 8.230 nan 0.000 0.542 863 C N 0.902 120.179 119.300 -0.039 0.000 4.356 863 C HA -0.192 4.267 4.460 -0.002 0.000 0.296 863 C C 1.304 176.353 174.990 0.098 0.000 1.424 863 C CA -0.365 58.664 59.018 0.019 0.000 2.000 863 C CB -3.139 24.622 27.740 0.035 0.000 1.262 863 C HN 0.312 nan 8.230 nan 0.000 0.789 864 L N -0.004 121.242 121.223 0.039 0.000 2.485 864 L HA 0.215 4.554 4.340 -0.002 0.000 0.275 864 L C 0.530 177.502 176.870 0.169 0.000 1.207 864 L CA 0.072 54.918 54.840 0.010 0.000 0.855 864 L CB 0.162 42.112 42.059 -0.181 0.000 1.114 864 L HN 0.141 nan 8.230 nan 0.000 0.485 865 L N 5.766 127.214 121.223 0.375 0.000 2.506 865 L HA 0.347 4.686 4.340 -0.002 0.000 0.247 865 L C -2.020 174.990 176.870 0.232 0.000 1.141 865 L CA -1.765 53.188 54.840 0.190 0.000 0.973 865 L CB 0.600 42.611 42.059 -0.080 0.000 1.319 865 L HN 0.290 nan 8.230 nan 0.000 0.455 866 P HA 0.136 nan 4.420 nan 0.000 0.247 866 P C -0.616 176.653 177.300 -0.052 0.000 1.756 866 P CA -0.397 62.690 63.100 -0.022 0.000 1.117 866 P CB -0.510 31.171 31.700 -0.031 0.000 1.869 867 Y N 0.516 120.878 120.300 0.103 0.000 2.652 867 Y HA 0.356 4.905 4.550 -0.002 0.000 0.344 867 Y C 1.117 176.965 175.900 -0.086 0.000 1.254 867 Y CA -1.139 56.948 58.100 -0.023 0.000 1.480 867 Y CB -0.674 37.775 38.460 -0.018 0.000 1.345 867 Y HN 0.348 nan 8.280 nan 0.000 0.617 868 G N 0.770 109.538 108.800 -0.053 0.000 2.353 868 G HA2 0.273 4.232 3.960 -0.002 0.000 0.239 868 G HA3 0.273 4.232 3.960 -0.002 0.000 0.239 868 G C -1.005 173.813 174.900 -0.137 0.000 1.295 868 G CA 0.086 45.046 45.100 -0.233 0.000 0.884 868 G HN 1.163 nan 8.290 nan 0.000 0.537 869 C N 3.748 123.084 119.300 0.060 0.000 2.989 869 C HA 0.651 5.110 4.460 -0.002 0.000 0.397 869 C C -0.949 174.120 174.990 0.132 0.000 1.022 869 C CA -0.943 58.142 59.018 0.112 0.000 1.232 869 C CB -0.130 27.740 27.740 0.217 0.000 1.638 869 C HN 0.677 nan 8.230 nan 0.000 0.534 870 I N 4.526 125.140 120.570 0.075 0.000 2.607 870 I HA 0.319 4.488 4.170 -0.002 0.000 0.290 870 I C 0.102 176.239 176.117 0.033 0.000 1.129 870 I CA -0.061 61.282 61.300 0.071 0.000 1.042 870 I CB 2.312 40.284 38.000 -0.046 0.000 1.242 870 I HN 0.645 nan 8.210 nan 0.000 0.421 871 S N 2.097 117.859 115.700 0.104 0.000 2.610 871 S HA 0.533 5.002 4.470 -0.002 0.000 0.273 871 S C 0.761 175.454 174.600 0.156 0.000 1.274 871 S CA -0.091 58.172 58.200 0.104 0.000 1.023 871 S CB 1.079 64.341 63.200 0.102 0.000 0.962 871 S HN 0.812 nan 8.310 nan 0.000 0.523 872 T N -0.198 114.449 114.554 0.156 0.000 3.098 872 T HA 0.499 4.848 4.350 -0.002 0.000 0.256 872 T C 0.652 175.461 174.700 0.180 0.000 0.921 872 T CA 0.225 62.462 62.100 0.228 0.000 0.916 872 T CB 0.210 69.211 68.868 0.221 0.000 1.246 872 T HN 0.798 nan 8.240 nan 0.000 0.511 873 G N 0.825 109.713 108.800 0.147 0.000 2.578 873 G HA2 0.441 4.400 3.960 -0.002 0.000 0.302 873 G HA3 0.441 4.400 3.960 -0.002 0.000 0.302 873 G C -2.028 172.948 174.900 0.127 0.000 1.243 873 G CA -0.556 44.620 45.100 0.126 0.000 0.843 873 G HN 0.081 nan 8.290 nan 0.000 0.486 874 D N 0.870 121.346 120.400 0.128 0.000 2.368 874 D HA 0.219 4.858 4.640 -0.002 0.000 0.268 874 D C 0.649 177.066 176.300 0.195 0.000 1.298 874 D CA 0.463 54.547 54.000 0.139 0.000 0.938 874 D CB -0.103 40.774 40.800 0.129 0.000 1.101 874 D HN 0.512 nan 8.370 nan 0.000 0.509 875 K N 1.638 122.122 120.400 0.140 0.000 3.071 875 K HA -0.220 4.099 4.320 -0.002 0.000 0.265 875 K C -0.200 176.482 176.600 0.138 0.000 1.060 875 K CA 0.467 56.811 56.287 0.096 0.000 0.767 875 K CB -1.474 31.043 32.500 0.028 0.000 1.241 875 K HN 0.600 nan 8.250 nan 0.000 0.486 876 I N -1.826 118.844 120.570 0.167 0.000 2.918 876 I HA 0.652 4.821 4.170 -0.002 0.000 0.301 876 I C -0.190 176.007 176.117 0.134 0.000 1.312 876 I CA -0.097 61.321 61.300 0.198 0.000 1.007 876 I CB 2.206 40.373 38.000 0.278 0.000 1.281 876 I HN 0.180 nan 8.210 nan 0.000 0.440 877 G N 5.743 114.607 108.800 0.106 0.000 2.333 877 G HA2 0.316 4.275 3.960 -0.002 0.000 0.288 877 G HA3 0.316 4.275 3.960 -0.002 0.000 0.288 877 G C -1.733 173.021 174.900 -0.244 0.000 1.286 877 G CA -0.398 44.696 45.100 -0.010 0.000 0.865 877 G HN 0.778 nan 8.290 nan 0.000 0.506 878 M N -0.726 118.636 119.600 -0.396 0.000 2.664 878 M HA 0.912 5.391 4.480 -0.002 0.000 0.314 878 M C -1.440 174.710 176.300 -0.249 0.000 1.200 878 M CA -0.919 54.013 55.300 -0.615 0.000 0.916 878 M CB 2.245 34.312 32.600 -0.889 0.000 1.717 878 M HN 0.471 nan 8.290 nan 0.000 0.470 879 I N 0.860 121.291 120.570 -0.232 0.000 2.686 879 I HA 0.330 4.499 4.170 -0.002 0.000 0.295 879 I C -0.532 175.415 176.117 -0.282 0.000 1.114 879 I CA -0.623 60.555 61.300 -0.203 0.000 1.038 879 I CB 2.555 40.423 38.000 -0.220 0.000 1.238 879 I HN 0.849 nan 8.210 nan 0.000 0.420 880 E N 5.966 125.859 120.200 -0.511 0.000 2.354 880 E HA 0.330 4.679 4.350 -0.002 0.000 0.269 880 E C -1.091 175.290 176.600 -0.364 0.000 1.036 880 E CA -0.352 55.678 56.400 -0.617 0.000 0.876 880 E CB 0.960 30.137 29.700 -0.872 0.000 1.009 880 E HN 0.420 nan 8.360 nan 0.000 0.416 881 I N 4.646 125.076 120.570 -0.234 0.000 2.315 881 I HA 0.130 4.299 4.170 -0.002 0.000 0.291 881 I C -0.461 175.597 176.117 -0.098 0.000 1.006 881 I CA -0.903 60.242 61.300 -0.258 0.000 1.265 881 I CB 1.596 39.357 38.000 -0.400 0.000 1.387 881 I HN 0.371 nan 8.210 nan 0.000 0.475 882 V N 7.317 127.203 119.914 -0.048 0.000 2.353 882 V HA 0.121 4.240 4.120 -0.002 0.000 0.264 882 V C 0.375 176.524 176.094 0.092 0.000 1.049 882 V CA -0.648 61.654 62.300 0.002 0.000 0.896 882 V CB 0.816 32.579 31.823 -0.099 0.000 1.025 882 V HN 0.573 nan 8.190 nan 0.000 0.475 883 K N 4.082 124.541 120.400 0.098 0.000 2.511 883 K HA 0.038 4.357 4.320 -0.002 0.000 0.280 883 K C 0.773 177.476 176.600 0.171 0.000 1.008 883 K CA 0.772 57.148 56.287 0.149 0.000 1.050 883 K CB -0.212 32.364 32.500 0.127 0.000 0.889 883 K HN 0.731 nan 8.250 nan 0.000 0.484 884 D N -0.654 119.876 120.400 0.217 0.000 2.911 884 D HA -0.194 4.445 4.640 -0.002 0.000 0.199 884 D C -0.456 176.026 176.300 0.304 0.000 1.041 884 D CA 1.365 55.505 54.000 0.233 0.000 1.013 884 D CB -0.949 39.961 40.800 0.184 0.000 1.093 884 D HN 0.606 nan 8.370 nan 0.000 0.431 885 A N 0.432 123.441 122.820 0.316 0.000 2.371 885 A HA 0.583 4.902 4.320 -0.002 0.000 0.257 885 A C 0.660 178.403 177.584 0.266 0.000 1.089 885 A CA 0.524 52.782 52.037 0.368 0.000 0.794 885 A CB 0.826 20.160 19.000 0.556 0.000 1.029 885 A HN 0.071 nan 8.150 nan 0.000 0.488 886 T N 0.754 115.384 114.554 0.126 0.000 2.906 886 T HA 0.508 4.857 4.350 -0.002 0.000 0.295 886 T C -0.034 174.565 174.700 -0.169 0.000 1.075 886 T CA -0.444 61.638 62.100 -0.030 0.000 1.005 886 T CB 1.491 70.269 68.868 -0.150 0.000 1.136 886 T HN 0.573 nan 8.240 nan 0.000 0.498 887 T N 1.850 116.301 114.554 -0.171 0.000 2.907 887 T HA 0.201 4.550 4.350 -0.002 0.000 0.298 887 T C 1.499 176.045 174.700 -0.256 0.000 1.017 887 T CA -0.306 61.663 62.100 -0.218 0.000 1.118 887 T CB 0.339 69.100 68.868 -0.178 0.000 0.948 887 T HN 0.382 nan 8.240 nan 0.000 0.531 888 I N 2.831 123.259 120.570 -0.237 0.000 2.286 888 I HA -0.114 4.055 4.170 -0.002 0.000 0.248 888 I C 2.475 178.505 176.117 -0.145 0.000 1.115 888 I CA 1.194 62.389 61.300 -0.175 0.000 1.392 888 I CB -0.670 37.317 38.000 -0.023 0.000 1.065 888 I HN 0.832 nan 8.210 nan 0.000 0.418 889 A N 0.090 122.798 122.820 -0.188 0.000 1.873 889 A HA -0.336 3.982 4.320 -0.002 0.000 0.218 889 A C 2.408 179.955 177.584 -0.062 0.000 1.193 889 A CA 2.324 54.280 52.037 -0.135 0.000 0.629 889 A CB -0.740 18.111 19.000 -0.249 0.000 0.826 889 A HN 0.370 nan 8.150 nan 0.000 0.447 890 K N -0.504 119.836 120.400 -0.099 0.000 2.147 890 K HA -0.045 4.274 4.320 -0.002 0.000 0.205 890 K C 1.642 178.195 176.600 -0.078 0.000 1.049 890 K CA 1.357 57.603 56.287 -0.068 0.000 0.936 890 K CB -0.337 32.119 32.500 -0.074 0.000 0.722 890 K HN 0.547 nan 8.250 nan 0.000 0.446 891 I N 0.895 121.371 120.570 -0.156 0.000 2.567 891 I HA -0.259 3.909 4.170 -0.002 0.000 0.257 891 I C 2.026 178.117 176.117 -0.043 0.000 1.184 891 I CA 0.952 62.145 61.300 -0.178 0.000 1.451 891 I CB -0.038 37.743 38.000 -0.365 0.000 1.089 891 I HN 0.267 nan 8.210 nan 0.000 0.441 892 Q N -0.199 119.601 119.800 0.001 0.000 2.373 892 Q HA -0.023 4.316 4.340 -0.002 0.000 0.210 892 Q C 1.985 178.008 176.000 0.038 0.000 0.913 892 Q CA 0.521 56.361 55.803 0.062 0.000 0.911 892 Q CB 0.125 28.979 28.738 0.192 0.000 1.040 892 Q HN 0.557 nan 8.270 nan 0.000 0.521 893 Q N 0.720 120.539 119.800 0.031 0.000 2.224 893 Q HA -0.113 4.226 4.340 -0.002 0.000 0.203 893 Q C 1.919 177.920 176.000 0.001 0.000 0.970 893 Q CA 1.029 56.840 55.803 0.014 0.000 0.865 893 Q CB -0.120 28.633 28.738 0.025 0.000 0.922 893 Q HN 0.294 nan 8.270 nan 0.000 0.445 894 S N 0.158 115.862 115.700 0.006 0.000 2.426 894 S HA -0.290 4.179 4.470 -0.002 0.000 0.332 894 S C 0.632 175.234 174.600 0.003 0.000 1.213 894 S CA 1.920 60.130 58.200 0.017 0.000 1.436 894 S CB -0.761 62.457 63.200 0.030 0.000 1.351 894 S HN 0.444 nan 8.310 nan 0.000 0.474 895 T N 0.842 115.388 114.554 -0.013 0.000 2.829 895 T HA 0.633 4.982 4.350 -0.002 0.000 0.280 895 T C 0.812 175.485 174.700 -0.045 0.000 0.999 895 T CA -0.267 61.817 62.100 -0.028 0.000 0.983 895 T CB 1.793 70.640 68.868 -0.035 0.000 0.968 895 T HN 0.894 nan 8.240 nan 0.000 0.446 896 V N 1.179 121.064 119.914 -0.049 0.000 0.639 896 V HA -0.316 3.803 4.120 -0.002 0.000 0.092 896 V C 1.638 177.682 176.094 -0.084 0.000 1.425 896 V CA 1.931 64.188 62.300 -0.072 0.000 3.259 896 V CB -2.109 29.659 31.823 -0.093 0.000 0.513 896 V HN 2.070 nan 8.190 nan 0.000 0.516 897 G N 1.486 110.223 108.800 -0.104 0.000 2.350 897 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.298 897 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.298 897 G C -0.150 174.608 174.900 -0.238 0.000 1.037 897 G CA 0.859 45.877 45.100 -0.136 0.000 1.074 897 G HN 1.198 nan 8.290 nan 0.000 0.511 898 N N 0.652 119.193 118.700 -0.265 0.000 2.453 898 N HA 0.137 4.876 4.740 -0.002 0.000 0.302 898 N C 1.565 176.857 175.510 -0.363 0.000 1.241 898 N CA 0.686 53.580 53.050 -0.261 0.000 1.129 898 N CB -0.206 38.146 38.487 -0.225 0.000 1.482 898 N HN 0.567 nan 8.380 nan 0.000 0.494 899 T N 0.047 114.360 114.554 -0.401 0.000 7.894 899 T HA -0.256 4.093 4.350 -0.002 0.000 0.344 899 T C 0.943 174.902 174.700 -1.235 0.000 1.622 899 T CA 1.072 62.796 62.100 -0.628 0.000 2.550 899 T CB -1.568 67.075 68.868 -0.374 0.000 2.738 899 T HN 0.786 nan 8.240 nan 0.000 1.238 900 G N -0.879 107.329 108.800 -0.987 0.000 2.456 900 G HA2 0.410 4.369 3.960 -0.002 0.000 0.208 900 G HA3 0.410 4.369 3.960 -0.002 0.000 0.208 900 G C 0.036 174.403 174.900 -0.888 0.000 1.004 900 G CA 0.150 44.744 45.100 -0.844 0.000 0.791 900 G HN 1.398 nan 8.290 nan 0.000 0.537 901 A N -0.098 122.256 122.820 -0.776 0.000 2.386 901 A HA 0.851 5.170 4.320 -0.002 0.000 0.248 901 A C -0.337 176.567 177.584 -1.133 0.000 1.082 901 A CA 0.299 51.895 52.037 -0.735 0.000 0.789 901 A CB 0.352 19.103 19.000 -0.415 0.000 1.025 901 A HN 0.715 nan 8.150 nan 0.000 0.490 902 F N -0.351 119.314 119.950 -0.475 0.000 2.613 902 F HA 0.573 5.099 4.527 -0.002 0.000 0.314 902 F C 0.029 175.522 175.800 -0.512 0.000 1.075 902 F CA -0.791 56.797 58.000 -0.686 0.000 0.945 902 F CB 2.588 40.643 39.000 -1.575 0.000 1.310 902 F HN 0.537 nan 8.300 nan 0.000 0.467 903 K N 0.211 120.538 120.400 -0.122 0.000 2.482 903 K HA 0.394 4.713 4.320 -0.002 0.000 0.251 903 K C -1.176 175.468 176.600 0.073 0.000 0.936 903 K CA -0.858 55.410 56.287 -0.032 0.000 0.791 903 K CB 2.562 35.036 32.500 -0.044 0.000 1.213 903 K HN 0.310 nan 8.250 nan 0.000 0.428 904 D N 1.835 122.292 120.400 0.095 0.000 2.097 904 D HA -0.142 4.497 4.640 -0.002 0.000 0.195 904 D C 0.684 176.928 176.300 -0.093 0.000 0.989 904 D CA 1.564 55.634 54.000 0.117 0.000 0.827 904 D CB 0.295 41.101 40.800 0.011 0.000 0.966 904 D HN 0.648 nan 8.370 nan 0.000 0.456 905 E N 0.180 120.197 120.200 -0.305 0.000 2.489 905 E HA 0.025 4.374 4.350 -0.002 0.000 0.193 905 E C 1.881 178.496 176.600 0.024 0.000 1.057 905 E CA -0.129 55.971 56.400 -0.499 0.000 0.866 905 E CB 0.618 29.932 29.700 -0.643 0.000 0.916 905 E HN 0.085 nan 8.360 nan 0.000 0.500 906 V N 1.395 121.367 119.914 0.097 0.000 2.407 906 V HA -0.258 3.861 4.120 -0.002 0.000 0.248 906 V C 2.259 178.491 176.094 0.229 0.000 1.055 906 V CA 1.363 63.771 62.300 0.179 0.000 1.049 906 V CB -0.393 31.496 31.823 0.111 0.000 0.662 906 V HN 0.369 nan 8.190 nan 0.000 0.455 907 L N 0.229 121.555 121.223 0.172 0.000 2.046 907 L HA -0.203 4.136 4.340 -0.002 0.000 0.208 907 L C 2.560 179.548 176.870 0.198 0.000 1.077 907 L CA 1.869 56.790 54.840 0.134 0.000 0.747 907 L CB -0.467 41.609 42.059 0.029 0.000 0.896 907 L HN 0.471 nan 8.230 nan 0.000 0.432 908 N N -0.834 118.006 118.700 0.233 0.000 2.188 908 N HA -0.231 4.508 4.740 -0.002 0.000 0.184 908 N C 1.749 177.380 175.510 0.202 0.000 1.018 908 N CA 1.298 54.511 53.050 0.271 0.000 0.858 908 N CB -0.031 38.695 38.487 0.399 0.000 0.989 908 N HN 0.480 nan 8.380 nan 0.000 0.426 909 H N -1.649 117.532 119.070 0.186 0.000 2.389 909 H HA -0.126 4.429 4.556 -0.002 0.000 0.299 909 H C 1.567 176.962 175.328 0.112 0.000 1.081 909 H CA 1.751 57.857 56.048 0.096 0.000 1.345 909 H CB -0.098 29.711 29.762 0.078 0.000 1.393 909 H HN 0.361 nan 8.280 nan 0.000 0.520 910 W N 1.014 122.398 121.300 0.140 0.000 2.358 910 W HA -0.172 4.487 4.660 -0.002 0.000 0.303 910 W C 1.621 178.184 176.519 0.074 0.000 1.208 910 W CA 1.322 58.716 57.345 0.082 0.000 1.274 910 W CB -0.373 29.124 29.460 0.062 0.000 1.138 910 W HN 0.102 nan 8.180 nan 0.000 0.515 911 L N 0.662 122.061 121.223 0.293 0.000 2.046 911 L HA -0.234 4.105 4.340 -0.002 0.000 0.208 911 L C 2.517 179.419 176.870 0.054 0.000 1.077 911 L CA 1.753 56.721 54.840 0.212 0.000 0.747 911 L CB -0.985 41.341 42.059 0.445 0.000 0.896 911 L HN -0.098 nan 8.230 nan 0.000 0.432 912 K N 0.605 120.921 120.400 -0.139 0.000 2.032 912 K HA -0.257 4.062 4.320 -0.002 0.000 0.209 912 K C 2.021 178.494 176.600 -0.212 0.000 1.048 912 K CA 1.743 57.799 56.287 -0.385 0.000 0.927 912 K CB -0.238 31.990 32.500 -0.453 0.000 0.712 912 K HN 0.248 nan 8.250 nan 0.000 0.441 913 E N 0.003 120.086 120.200 -0.195 0.000 2.058 913 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 913 E C 0.741 177.181 176.600 -0.266 0.000 0.997 913 E CA 1.144 57.416 56.400 -0.212 0.000 0.801 913 E CB 0.090 29.653 29.700 -0.228 0.000 0.746 913 E HN 0.093 nan 8.360 nan 0.000 0.450 914 K N 0.654 120.803 120.400 -0.418 0.000 2.546 914 K HA 0.154 4.473 4.320 -0.002 0.000 0.198 914 K C -0.258 176.229 176.600 -0.189 0.000 1.028 914 K CA 0.066 56.117 56.287 -0.393 0.000 1.150 914 K CB 0.663 32.721 32.500 -0.737 0.000 0.876 914 K HN -0.117 nan 8.250 nan 0.000 0.508 915 S N 1.488 117.121 115.700 -0.113 0.000 2.552 915 S HA 0.293 4.762 4.470 -0.002 0.000 0.314 915 S C -1.874 172.708 174.600 -0.029 0.000 1.099 915 S CA -1.204 56.985 58.200 -0.017 0.000 1.070 915 S CB 2.084 65.344 63.200 0.100 0.000 0.998 915 S HN -0.046 nan 8.310 nan 0.000 0.474 916 P HA -0.027 nan 4.420 nan 0.000 0.214 916 P C 1.006 178.304 177.300 -0.004 0.000 1.162 916 P CA 0.937 64.027 63.100 -0.017 0.000 0.874 916 P CB -0.271 31.423 31.700 -0.010 0.000 0.784 917 T N -2.978 111.588 114.554 0.018 0.000 2.833 917 T HA 0.196 4.545 4.350 -0.002 0.000 0.292 917 T C 1.202 175.938 174.700 0.061 0.000 1.031 917 T CA -0.410 61.708 62.100 0.031 0.000 0.937 917 T CB 0.663 69.552 68.868 0.036 0.000 1.256 917 T HN -0.117 nan 8.240 nan 0.000 0.551 918 E N -0.292 119.954 120.200 0.077 0.000 2.140 918 E HA -0.045 4.304 4.350 -0.002 0.000 0.191 918 E C 2.045 178.744 176.600 0.164 0.000 0.973 918 E CA 0.566 57.056 56.400 0.150 0.000 0.829 918 E CB -0.157 29.614 29.700 0.119 0.000 0.781 918 E HN 0.870 nan 8.360 nan 0.000 0.466 919 E N 1.199 121.455 120.200 0.093 0.000 2.086 919 E HA -0.236 4.112 4.350 -0.002 0.000 0.200 919 E C 1.787 178.424 176.600 0.060 0.000 1.012 919 E CA 1.502 57.941 56.400 0.065 0.000 0.812 919 E CB 0.131 29.855 29.700 0.041 0.000 0.743 919 E HN 0.060 nan 8.360 nan 0.000 0.453 920 K N -0.499 119.944 120.400 0.072 0.000 2.217 920 K HA -0.111 4.208 4.320 -0.002 0.000 0.202 920 K C 2.015 178.673 176.600 0.096 0.000 1.051 920 K CA 0.862 57.187 56.287 0.064 0.000 0.952 920 K CB -0.216 32.316 32.500 0.053 0.000 0.736 920 K HN 0.169 nan 8.250 nan 0.000 0.453 921 F N 2.794 122.740 119.950 -0.006 0.000 2.113 921 F HA -0.192 4.333 4.527 -0.002 0.000 0.297 921 F C 2.255 178.055 175.800 -0.001 0.000 1.103 921 F CA 1.478 59.473 58.000 -0.009 0.000 1.248 921 F CB -0.176 38.814 39.000 -0.017 0.000 0.999 921 F HN -0.055 nan 8.300 nan 0.000 0.475 922 Q N 0.815 120.480 119.800 -0.225 0.000 2.061 922 Q HA -0.195 4.144 4.340 -0.002 0.000 0.204 922 Q C 2.535 178.401 176.000 -0.222 0.000 0.984 922 Q CA 1.720 57.339 55.803 -0.308 0.000 0.846 922 Q CB -1.330 27.366 28.738 -0.069 0.000 0.902 922 Q HN 0.550 nan 8.270 nan 0.000 0.421 923 A N 1.141 123.904 122.820 -0.094 0.000 2.032 923 A HA -0.155 4.164 4.320 -0.002 0.000 0.221 923 A C 2.313 179.871 177.584 -0.043 0.000 1.165 923 A CA 1.978 53.990 52.037 -0.042 0.000 0.645 923 A CB -0.582 18.413 19.000 -0.008 0.000 0.807 923 A HN 0.396 nan 8.150 nan 0.000 0.453 924 A N -0.693 122.076 122.820 -0.085 0.000 1.872 924 A HA 0.051 4.370 4.320 -0.002 0.000 0.214 924 A C 2.188 179.733 177.584 -0.064 0.000 1.187 924 A CA 1.590 53.604 52.037 -0.038 0.000 0.614 924 A CB -0.904 18.088 19.000 -0.012 0.000 0.826 924 A HN 0.409 nan 8.150 nan 0.000 0.442 925 V N 0.005 119.751 119.914 -0.279 0.000 2.407 925 V HA -0.248 3.871 4.120 -0.002 0.000 0.248 925 V C 2.530 178.546 176.094 -0.131 0.000 1.055 925 V CA 2.425 64.562 62.300 -0.271 0.000 1.049 925 V CB -0.740 30.745 31.823 -0.563 0.000 0.662 925 V HN 0.637 nan 8.190 nan 0.000 0.455 926 E N 0.047 120.193 120.200 -0.090 0.000 2.072 926 E HA -0.187 4.162 4.350 -0.002 0.000 0.191 926 E C 2.394 179.128 176.600 0.223 0.000 0.985 926 E CA 1.204 57.651 56.400 0.079 0.000 0.801 926 E CB -0.204 29.570 29.700 0.123 0.000 0.750 926 E HN 0.428 nan 8.360 nan 0.000 0.452 927 R N -1.007 119.583 120.500 0.151 0.000 2.075 927 R HA -0.110 4.229 4.340 -0.002 0.000 0.232 927 R C 2.145 178.562 176.300 0.196 0.000 1.126 927 R CA 1.326 57.530 56.100 0.173 0.000 0.963 927 R CB -0.412 29.958 30.300 0.116 0.000 0.858 927 R HN 0.244 nan 8.270 nan 0.000 0.435 928 F N 0.477 120.445 119.950 0.029 0.000 2.216 928 F HA -0.168 4.358 4.527 -0.002 0.000 0.300 928 F C 1.762 177.554 175.800 -0.014 0.000 1.085 928 F CA 1.116 59.111 58.000 -0.010 0.000 1.326 928 F CB -0.151 38.800 39.000 -0.082 0.000 1.027 928 F HN -0.189 nan 8.300 nan 0.000 0.497 929 V N -0.574 119.319 119.914 -0.034 0.000 2.358 929 V HA -0.315 3.804 4.120 -0.002 0.000 0.246 929 V C 2.020 178.035 176.094 -0.131 0.000 1.047 929 V CA 2.123 64.347 62.300 -0.127 0.000 1.035 929 V CB -0.845 30.928 31.823 -0.082 0.000 0.658 929 V HN 0.366 nan 8.190 nan 0.000 0.452 930 Y N 1.007 121.274 120.300 -0.055 0.000 2.153 930 Y HA -0.199 4.350 4.550 -0.002 0.000 0.289 930 Y C 2.927 178.781 175.900 -0.078 0.000 1.127 930 Y CA 1.728 59.780 58.100 -0.079 0.000 1.131 930 Y CB -0.631 37.773 38.460 -0.094 0.000 0.995 930 Y HN 0.381 nan 8.280 nan 0.000 0.505 931 S N -1.130 114.646 115.700 0.126 0.000 2.359 931 S HA -0.306 4.163 4.470 -0.002 0.000 0.224 931 S C 2.179 176.855 174.600 0.128 0.000 1.035 931 S CA 1.275 59.572 58.200 0.162 0.000 1.018 931 S CB -1.468 61.861 63.200 0.216 0.000 0.876 931 S HN 0.596 nan 8.310 nan 0.000 0.448 932 C N 2.245 121.452 119.300 -0.156 0.000 2.413 932 C HA 0.087 4.546 4.460 -0.002 0.000 0.276 932 C C 3.173 178.264 174.990 0.168 0.000 1.248 932 C CA 0.909 59.821 59.018 -0.177 0.000 1.742 932 C CB -1.828 25.459 27.740 -0.755 0.000 2.017 932 C HN 0.703 nan 8.230 nan 0.000 0.481 933 A N 0.464 123.405 122.820 0.202 0.000 1.851 933 A HA 0.027 4.346 4.320 -0.002 0.000 0.216 933 A C 2.513 180.040 177.584 -0.096 0.000 1.195 933 A CA 2.358 54.439 52.037 0.073 0.000 0.622 933 A CB -1.668 17.230 19.000 -0.171 0.000 0.831 933 A HN 0.680 nan 8.150 nan 0.000 0.444 934 G N -2.058 106.668 108.800 -0.123 0.000 2.440 934 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.218 934 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.218 934 G C 1.516 176.381 174.900 -0.059 0.000 1.154 934 G CA 1.266 46.262 45.100 -0.173 0.000 0.767 934 G HN 0.582 nan 8.290 nan 0.000 0.552 935 Y N 0.058 120.397 120.300 0.064 0.000 2.263 935 Y HA -0.090 4.459 4.550 -0.002 0.000 0.292 935 Y C 3.165 179.063 175.900 -0.003 0.000 1.130 935 Y CA 0.735 58.849 58.100 0.023 0.000 1.179 935 Y CB -0.306 38.166 38.460 0.021 0.000 0.998 935 Y HN 0.222 nan 8.280 nan 0.000 0.532 936 C N -1.000 118.377 119.300 0.128 0.000 2.398 936 C HA -0.183 4.276 4.460 -0.002 0.000 0.276 936 C C 2.717 177.652 174.990 -0.092 0.000 1.222 936 C CA 1.045 59.990 59.018 -0.123 0.000 1.746 936 C CB -1.162 26.372 27.740 -0.345 0.000 2.039 936 C HN 0.351 nan 8.230 nan 0.000 0.470 937 V N 0.985 120.890 119.914 -0.014 0.000 2.283 937 V HA -0.131 3.988 4.120 -0.002 0.000 0.243 937 V C 2.703 178.949 176.094 0.254 0.000 1.039 937 V CA 2.181 64.519 62.300 0.062 0.000 1.016 937 V CB -1.260 30.513 31.823 -0.084 0.000 0.650 937 V HN 0.575 nan 8.190 nan 0.000 0.449 938 A N -0.992 121.974 122.820 0.244 0.000 1.902 938 A HA -0.244 4.075 4.320 -0.002 0.000 0.217 938 A C 2.432 180.116 177.584 0.167 0.000 1.181 938 A CA 2.586 54.728 52.037 0.176 0.000 0.623 938 A CB -0.948 18.092 19.000 0.066 0.000 0.818 938 A HN 0.461 nan 8.150 nan 0.000 0.443 939 T N -1.542 113.128 114.554 0.192 0.000 2.737 939 T HA -0.127 4.222 4.350 -0.002 0.000 0.265 939 T C 1.593 176.480 174.700 0.312 0.000 1.038 939 T CA 1.642 63.874 62.100 0.219 0.000 1.144 939 T CB -0.415 68.559 68.868 0.177 0.000 0.866 939 T HN 0.431 nan 8.240 nan 0.000 0.434 940 F N 1.773 121.889 119.950 0.277 0.000 2.065 940 F HA -0.160 4.365 4.527 -0.002 0.000 0.298 940 F C 2.236 178.226 175.800 0.317 0.000 1.112 940 F CA 1.383 59.592 58.000 0.348 0.000 1.212 940 F CB -0.876 38.376 39.000 0.421 0.000 0.975 940 F HN -0.020 nan 8.300 nan 0.000 0.476 941 V N 0.854 120.890 119.914 0.202 0.000 2.324 941 V HA -0.325 3.794 4.120 -0.002 0.000 0.250 941 V C 2.358 178.496 176.094 0.073 0.000 1.060 941 V CA 2.219 64.556 62.300 0.062 0.000 1.042 941 V CB -0.759 31.156 31.823 0.152 0.000 0.650 941 V HN 0.405 nan 8.190 nan 0.000 0.450 942 L N -0.189 121.129 121.223 0.157 0.000 2.599 942 L HA 0.271 4.610 4.340 -0.002 0.000 0.230 942 L C 1.844 178.858 176.870 0.239 0.000 1.141 942 L CA 0.841 55.829 54.840 0.246 0.000 0.877 942 L CB -0.359 41.822 42.059 0.203 0.000 1.009 942 L HN 0.560 nan 8.230 nan 0.000 0.447 943 G N 1.313 110.180 108.800 0.112 0.000 2.205 943 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.261 943 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.261 943 G C 0.765 175.626 174.900 -0.064 0.000 0.980 943 G CA 0.485 45.417 45.100 -0.280 0.000 0.632 943 G HN 0.532 nan 8.290 nan 0.000 0.533 944 I N -1.202 119.433 120.570 0.109 0.000 3.864 944 I HA 0.605 4.774 4.170 -0.002 0.000 0.326 944 I C 1.608 177.883 176.117 0.264 0.000 1.444 944 I CA 0.409 61.822 61.300 0.189 0.000 1.195 944 I CB 0.001 38.156 38.000 0.258 0.000 1.124 944 I HN 0.037 nan 8.210 nan 0.000 0.407 945 G N 0.553 109.504 108.800 0.253 0.000 2.623 945 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.214 945 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.214 945 G C 0.424 175.509 174.900 0.308 0.000 1.138 945 G CA 0.096 45.404 45.100 0.345 0.000 0.794 945 G HN 0.436 nan 8.290 nan 0.000 0.535 946 D N 0.948 121.475 120.400 0.212 0.000 2.468 946 D HA 0.245 4.884 4.640 -0.002 0.000 0.218 946 D C 0.072 176.466 176.300 0.157 0.000 1.155 946 D CA -0.127 53.968 54.000 0.157 0.000 0.924 946 D CB 0.254 41.118 40.800 0.108 0.000 1.029 946 D HN -0.005 nan 8.370 nan 0.000 0.515 947 R N 1.712 122.303 120.500 0.151 0.000 2.867 947 R HA 0.303 4.642 4.340 -0.002 0.000 0.268 947 R C -0.316 176.019 176.300 0.059 0.000 1.014 947 R CA -0.908 55.252 56.100 0.099 0.000 0.946 947 R CB 0.915 31.257 30.300 0.069 0.000 1.208 947 R HN 0.450 nan 8.270 nan 0.000 0.477 948 H N 0.792 119.769 119.070 -0.155 0.000 2.505 948 H HA 0.237 4.792 4.556 -0.002 0.000 0.351 948 H C 0.868 176.034 175.328 -0.270 0.000 1.151 948 H CA -0.167 55.723 56.048 -0.264 0.000 1.339 948 H CB 0.858 30.289 29.762 -0.551 0.000 1.483 948 H HN 0.366 nan 8.280 nan 0.000 0.558 949 N N 1.859 120.207 118.700 -0.586 0.000 2.132 949 N HA -0.215 4.524 4.740 -0.002 0.000 0.191 949 N C 1.333 176.474 175.510 -0.614 0.000 1.015 949 N CA 1.279 53.999 53.050 -0.550 0.000 0.864 949 N CB -0.154 38.051 38.487 -0.470 0.000 1.006 949 N HN 0.704 nan 8.380 nan 0.000 0.430 950 D N 1.045 120.869 120.400 -0.960 0.000 2.106 950 D HA -0.140 4.499 4.640 -0.002 0.000 0.191 950 D C 0.424 176.480 176.300 -0.407 0.000 0.997 950 D CA 1.107 54.752 54.000 -0.593 0.000 0.834 950 D CB -0.291 40.166 40.800 -0.573 0.000 0.956 950 D HN 0.320 nan 8.370 nan 0.000 0.448 951 N N -0.758 117.709 118.700 -0.389 0.000 2.421 951 N HA 0.174 4.913 4.740 -0.002 0.000 0.201 951 N C -0.470 174.770 175.510 -0.451 0.000 1.198 951 N CA 0.024 52.864 53.050 -0.350 0.000 0.838 951 N CB 0.605 38.927 38.487 -0.276 0.000 1.011 951 N HN 0.240 nan 8.380 nan 0.000 0.463 952 I N 0.823 121.122 120.570 -0.452 0.000 2.466 952 I HA 0.361 4.530 4.170 -0.002 0.000 0.289 952 I C -0.628 175.243 176.117 -0.409 0.000 1.026 952 I CA -0.566 60.447 61.300 -0.478 0.000 1.078 952 I CB 1.619 39.402 38.000 -0.361 0.000 1.249 952 I HN -0.149 nan 8.210 nan 0.000 0.429 953 M N 6.466 125.720 119.600 -0.577 0.000 2.644 953 M HA 0.606 5.085 4.480 -0.002 0.000 0.304 953 M C -0.995 175.147 176.300 -0.263 0.000 1.215 953 M CA -0.716 54.269 55.300 -0.524 0.000 0.871 953 M CB 3.330 35.459 32.600 -0.785 0.000 1.740 953 M HN 0.447 nan 8.290 nan 0.000 0.464 954 I N 1.135 121.683 120.570 -0.035 0.000 2.608 954 I HA 0.464 4.633 4.170 -0.002 0.000 0.295 954 I C 0.048 176.360 176.117 0.324 0.000 1.049 954 I CA -0.399 61.017 61.300 0.193 0.000 1.063 954 I CB 2.285 40.314 38.000 0.048 0.000 1.248 954 I HN 0.895 nan 8.210 nan 0.000 0.424 955 T N 1.816 116.620 114.554 0.418 0.000 2.788 955 T HA 0.215 4.563 4.350 -0.002 0.000 0.287 955 T C 0.915 175.896 174.700 0.468 0.000 1.007 955 T CA -0.302 62.024 62.100 0.375 0.000 1.005 955 T CB 1.078 70.090 68.868 0.239 0.000 1.012 955 T HN 0.693 nan 8.240 nan 0.000 0.530 956 E N 0.027 120.481 120.200 0.424 0.000 2.110 956 E HA -0.123 4.226 4.350 -0.002 0.000 0.193 956 E C 1.753 178.467 176.600 0.190 0.000 0.988 956 E CA 1.374 57.942 56.400 0.281 0.000 0.804 956 E CB -0.313 29.440 29.700 0.089 0.000 0.745 956 E HN 0.763 nan 8.360 nan 0.000 0.458 957 T N -0.832 113.825 114.554 0.171 0.000 3.439 957 T HA 0.148 4.497 4.350 -0.002 0.000 0.251 957 T C 1.005 175.796 174.700 0.152 0.000 1.108 957 T CA 0.762 62.937 62.100 0.126 0.000 0.982 957 T CB -0.519 68.402 68.868 0.088 0.000 1.024 957 T HN 0.445 nan 8.240 nan 0.000 0.573 958 G N 1.575 110.509 108.800 0.223 0.000 2.176 958 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.253 958 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.253 958 G C 0.126 175.194 174.900 0.280 0.000 0.979 958 G CA 0.006 45.246 45.100 0.234 0.000 0.641 958 G HN 0.598 nan 8.290 nan 0.000 0.530 959 N N 0.677 119.530 118.700 0.255 0.000 2.415 959 N HA 0.423 5.162 4.740 -0.002 0.000 0.246 959 N C 0.303 176.034 175.510 0.368 0.000 1.078 959 N CA -0.346 52.859 53.050 0.259 0.000 0.942 959 N CB 0.675 39.264 38.487 0.169 0.000 1.140 959 N HN 0.370 nan 8.380 nan 0.000 0.501 960 L N 5.101 126.543 121.223 0.365 0.000 2.452 960 L HA 0.490 4.828 4.340 -0.002 0.000 0.267 960 L C -0.503 176.632 176.870 0.442 0.000 1.188 960 L CA 0.151 55.197 54.840 0.343 0.000 0.821 960 L CB 0.069 42.229 42.059 0.169 0.000 1.102 960 L HN 0.506 nan 8.230 nan 0.000 0.470 961 F N 0.492 120.394 119.950 -0.079 0.000 2.719 961 F HA 0.474 5.000 4.527 -0.002 0.000 0.309 961 F C -1.034 174.590 175.800 -0.294 0.000 1.138 961 F CA -1.105 56.629 58.000 -0.442 0.000 0.943 961 F CB 0.987 39.978 39.000 -0.014 0.000 1.304 961 F HN 0.415 nan 8.300 nan 0.000 0.445 962 H N 2.004 120.707 119.070 -0.611 0.000 2.479 962 H HA 0.763 5.318 4.556 -0.002 0.000 0.335 962 H C -0.666 174.605 175.328 -0.095 0.000 1.142 962 H CA -0.638 55.261 56.048 -0.247 0.000 1.234 962 H CB 2.471 32.289 29.762 0.094 0.000 1.503 962 H HN 0.707 nan 8.280 nan 0.000 0.510 963 I N -0.954 119.451 120.570 -0.274 0.000 2.828 963 I HA 0.352 4.521 4.170 -0.002 0.000 0.302 963 I C -0.817 174.905 176.117 -0.659 0.000 1.101 963 I CA -0.991 60.127 61.300 -0.304 0.000 1.031 963 I CB 2.279 40.165 38.000 -0.189 0.000 1.231 963 I HN 0.542 nan 8.210 nan 0.000 0.427 964 D N 2.958 122.944 120.400 -0.690 0.000 3.118 964 D HA -0.153 4.486 4.640 -0.002 0.000 0.249 964 D C -0.503 175.571 176.300 -0.377 0.000 1.031 964 D CA 0.549 54.318 54.000 -0.384 0.000 0.905 964 D CB -1.029 39.637 40.800 -0.223 0.000 1.006 964 D HN 0.616 nan 8.370 nan 0.000 0.425 965 F N 0.060 120.076 119.950 0.110 0.000 2.789 965 F HA 0.282 4.808 4.527 -0.002 0.000 0.300 965 F C 2.309 178.148 175.800 0.066 0.000 1.132 965 F CA 0.199 58.258 58.000 0.098 0.000 1.404 965 F CB 0.409 39.464 39.000 0.092 0.000 1.114 965 F HN 0.338 nan 8.300 nan 0.000 0.584 966 G N 1.078 109.961 108.800 0.137 0.000 2.138 966 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.256 966 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.256 966 G C -0.006 174.962 174.900 0.114 0.000 1.141 966 G CA -0.018 45.115 45.100 0.055 0.000 0.967 966 G HN 0.262 nan 8.290 nan 0.000 0.435 982 R N -0.067 120.463 120.500 0.051 0.000 2.831 982 R HA 0.797 5.136 4.340 -0.002 0.000 0.266 982 R C -1.458 174.853 176.300 0.018 0.000 1.051 982 R CA -0.985 55.141 56.100 0.044 0.000 0.943 982 R CB 1.979 32.306 30.300 0.045 0.000 1.228 982 R HN 0.287 nan 8.270 nan 0.000 0.467 983 V N 2.109 122.026 119.914 0.005 0.000 2.950 983 V HA 0.251 4.370 4.120 -0.002 0.000 0.295 983 V C -1.941 174.113 176.094 -0.067 0.000 1.297 983 V CA -1.469 60.793 62.300 -0.064 0.000 0.962 983 V CB 2.653 34.434 31.823 -0.071 0.000 1.081 983 V HN 0.621 nan 8.190 nan 0.000 0.432 984 P HA 0.073 nan 4.420 nan 0.000 0.217 984 P C -0.129 177.228 177.300 0.096 0.000 1.154 984 P CA 1.257 64.325 63.100 -0.053 0.000 0.841 984 P CB 0.093 31.602 31.700 -0.318 0.000 0.788 985 F N -3.635 116.383 119.950 0.113 0.000 2.668 985 F HA 0.514 5.040 4.527 -0.002 0.000 0.309 985 F C -0.962 174.885 175.800 0.079 0.000 1.117 985 F CA -2.053 56.036 58.000 0.149 0.000 0.951 985 F CB 0.522 39.631 39.000 0.182 0.000 1.323 985 F HN -0.467 nan 8.300 nan 0.000 0.451 986 V N 2.902 123.033 119.914 0.363 0.000 2.415 986 V HA 0.211 4.330 4.120 -0.002 0.000 0.267 986 V C -0.272 175.854 176.094 0.052 0.000 1.042 986 V CA 0.122 62.475 62.300 0.088 0.000 1.000 986 V CB 0.661 32.499 31.823 0.026 0.000 1.015 986 V HN 0.652 nan 8.190 nan 0.000 0.478 987 L N 6.715 127.883 121.223 -0.092 0.000 2.913 987 L HA 0.369 4.708 4.340 -0.002 0.000 0.283 987 L C 0.898 177.556 176.870 -0.354 0.000 1.336 987 L CA -0.033 54.758 54.840 -0.082 0.000 0.815 987 L CB 0.480 42.672 42.059 0.223 0.000 1.188 987 L HN 0.747 nan 8.230 nan 0.000 0.551 988 T N -1.489 112.602 114.554 -0.772 0.000 2.856 988 T HA 0.104 4.453 4.350 -0.002 0.000 0.329 988 T C -1.612 172.707 174.700 -0.634 0.000 1.094 988 T CA -0.744 60.824 62.100 -0.887 0.000 1.112 988 T CB 0.038 68.215 68.868 -1.152 0.000 1.009 988 T HN 0.186 nan 8.240 nan 0.000 0.550 989 P HA -0.140 nan 4.420 nan 0.000 0.220 989 P C 1.312 178.619 177.300 0.013 0.000 1.144 989 P CA 1.125 64.022 63.100 -0.338 0.000 0.800 989 P CB -0.043 31.436 31.700 -0.367 0.000 0.772 990 D N -1.258 119.204 120.400 0.103 0.000 2.123 990 D HA -0.168 4.471 4.640 -0.002 0.000 0.200 990 D C 1.672 178.237 176.300 0.441 0.000 0.976 990 D CA 1.097 55.313 54.000 0.360 0.000 0.831 990 D CB -1.238 39.849 40.800 0.478 0.000 0.974 990 D HN 0.104 nan 8.370 nan 0.000 0.469 991 F N 1.043 121.062 119.950 0.115 0.000 2.134 991 F HA 0.070 4.595 4.527 -0.002 0.000 0.299 991 F C 2.523 178.438 175.800 0.192 0.000 1.097 991 F CA 0.305 58.466 58.000 0.269 0.000 1.264 991 F CB -0.893 38.252 39.000 0.242 0.000 1.001 991 F HN -0.059 nan 8.300 nan 0.000 0.479 992 L N -1.872 119.504 121.223 0.254 0.000 2.217 992 L HA -0.193 4.146 4.340 -0.002 0.000 0.211 992 L C 2.372 179.304 176.870 0.104 0.000 1.107 992 L CA 0.791 55.679 54.840 0.081 0.000 0.783 992 L CB -0.721 41.304 42.059 -0.057 0.000 0.919 992 L HN 0.039 nan 8.230 nan 0.000 0.442 993 F N 0.165 120.147 119.950 0.052 0.000 2.146 993 F HA -0.169 4.357 4.527 -0.002 0.000 0.298 993 F C 2.232 178.058 175.800 0.043 0.000 1.096 993 F CA 1.343 59.370 58.000 0.046 0.000 1.275 993 F CB -0.151 38.890 39.000 0.069 0.000 1.008 993 F HN -0.260 nan 8.300 nan 0.000 0.480 994 V N 0.717 120.685 119.914 0.090 0.000 2.343 994 V HA -0.358 3.761 4.120 -0.002 0.000 0.247 994 V C 2.362 178.405 176.094 -0.085 0.000 1.051 994 V CA 2.322 64.588 62.300 -0.056 0.000 1.036 994 V CB -0.658 31.032 31.823 -0.221 0.000 0.654 994 V HN 0.381 nan 8.190 nan 0.000 0.451 995 M N -0.307 119.310 119.600 0.028 0.000 2.213 995 M HA 0.078 4.557 4.480 -0.002 0.000 0.263 995 M C 1.430 177.748 176.300 0.031 0.000 1.062 995 M CA 1.676 57.011 55.300 0.058 0.000 1.105 995 M CB -0.151 32.532 32.600 0.138 0.000 1.385 995 M HN 0.529 nan 8.290 nan 0.000 0.417 996 G N 0.692 109.432 108.800 -0.100 0.000 2.247 996 G HA2 -0.103 3.856 3.960 -0.002 0.000 0.111 996 G HA3 -0.103 3.856 3.960 -0.002 0.000 0.111 996 G C -0.323 174.500 174.900 -0.128 0.000 1.045 996 G CA -0.334 44.660 45.100 -0.176 0.000 0.715 996 G HN 0.339 nan 8.290 nan 0.000 0.485 997 T N -0.160 114.322 114.554 -0.121 0.000 2.853 997 T HA 0.767 5.116 4.350 -0.002 0.000 0.311 997 T C -0.417 174.270 174.700 -0.021 0.000 1.307 997 T CA -0.053 61.985 62.100 -0.103 0.000 1.019 997 T CB 2.101 70.812 68.868 -0.262 0.000 1.264 997 T HN 1.404 nan 8.240 nan 0.000 0.497 998 S N 0.030 115.721 115.700 -0.015 0.000 2.446 998 S HA 0.605 5.074 4.470 -0.002 0.000 0.230 998 S C 0.262 174.854 174.600 -0.013 0.000 1.051 998 S CA -0.398 57.822 58.200 0.034 0.000 1.113 998 S CB 0.630 63.917 63.200 0.145 0.000 1.184 998 S HN 1.920 nan 8.310 nan 0.000 0.435 999 G N 2.857 111.621 108.800 -0.061 0.000 2.487 999 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.243 999 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.243 999 G C -0.012 174.857 174.900 -0.051 0.000 0.918 999 G CA -0.220 44.847 45.100 -0.055 0.000 1.260 999 G HN 1.190 nan 8.290 nan 0.000 0.408 1000 K N -0.120 120.235 120.400 -0.075 0.000 4.823 1000 K HA -0.135 4.184 4.320 -0.002 0.000 0.357 1000 K C 0.167 176.743 176.600 -0.039 0.000 1.055 1000 K CA 1.825 58.084 56.287 -0.047 0.000 1.110 1000 K CB -1.032 31.458 32.500 -0.017 0.000 1.617 1000 K HN 1.116 nan 8.250 nan 0.000 0.424 1001 K N -0.241 120.118 120.400 -0.069 0.000 2.672 1001 K HA 0.438 4.757 4.320 -0.002 0.000 0.295 1001 K C -1.084 175.497 176.600 -0.032 0.000 1.042 1001 K CA -0.594 55.673 56.287 -0.035 0.000 0.869 1001 K CB 1.586 34.066 32.500 -0.033 0.000 1.541 1001 K HN 0.219 nan 8.250 nan 0.000 0.396 1002 T N 0.420 115.003 114.554 0.048 0.000 2.906 1002 T HA 0.582 4.931 4.350 -0.002 0.000 0.295 1002 T C -1.157 173.622 174.700 0.131 0.000 1.061 1002 T CA -0.786 61.415 62.100 0.169 0.000 1.000 1002 T CB 1.564 70.554 68.868 0.203 0.000 1.103 1002 T HN 0.677 nan 8.240 nan 0.000 0.486 1003 S N 0.407 116.227 115.700 0.200 0.000 2.625 1003 S HA 0.599 5.068 4.470 -0.002 0.000 0.271 1003 S C -2.614 172.049 174.600 0.105 0.000 1.161 1003 S CA -1.360 56.914 58.200 0.123 0.000 0.820 1003 S CB 1.348 64.611 63.200 0.105 0.000 1.137 1003 S HN 0.330 nan 8.310 nan 0.000 0.470 1004 P HA -0.040 nan 4.420 nan 0.000 0.218 1004 P C 1.042 178.267 177.300 -0.124 0.000 1.149 1004 P CA 1.295 64.341 63.100 -0.090 0.000 0.817 1004 P CB -0.105 31.481 31.700 -0.190 0.000 0.785 1005 H N -2.703 116.403 119.070 0.060 0.000 2.448 1005 H HA 0.064 4.619 4.556 -0.002 0.000 0.292 1005 H C 1.786 177.189 175.328 0.125 0.000 1.035 1005 H CA 0.686 56.769 56.048 0.058 0.000 1.349 1005 H CB -0.712 29.076 29.762 0.043 0.000 1.425 1005 H HN 0.100 nan 8.280 nan 0.000 0.539 1006 F N 2.461 122.493 119.950 0.138 0.000 2.171 1006 F HA -0.165 4.361 4.527 -0.002 0.000 0.300 1006 F C 2.295 178.184 175.800 0.147 0.000 1.090 1006 F CA 1.242 59.330 58.000 0.146 0.000 1.293 1006 F CB -0.162 38.900 39.000 0.104 0.000 1.013 1006 F HN 0.047 nan 8.300 nan 0.000 0.486 1007 Q N 0.058 119.829 119.800 -0.048 0.000 2.084 1007 Q HA -0.257 4.082 4.340 -0.002 0.000 0.202 1007 Q C 2.274 178.176 176.000 -0.164 0.000 0.978 1007 Q CA 1.987 57.693 55.803 -0.161 0.000 0.844 1007 Q CB -0.286 28.415 28.738 -0.063 0.000 0.898 1007 Q HN 0.387 nan 8.270 nan 0.000 0.426 1008 K N 0.135 120.485 120.400 -0.083 0.000 2.057 1008 K HA -0.187 4.132 4.320 -0.002 0.000 0.207 1008 K C 1.811 178.313 176.600 -0.163 0.000 1.049 1008 K CA 1.211 57.433 56.287 -0.110 0.000 0.931 1008 K CB -0.188 32.283 32.500 -0.047 0.000 0.714 1008 K HN 0.107 nan 8.250 nan 0.000 0.440 1009 F N 2.022 121.826 119.950 -0.244 0.000 2.046 1009 F HA -0.251 4.275 4.527 -0.002 0.000 0.297 1009 F C 2.102 177.730 175.800 -0.287 0.000 1.123 1009 F CA 1.776 59.621 58.000 -0.258 0.000 1.199 1009 F CB -0.525 38.398 39.000 -0.128 0.000 0.972 1009 F HN 0.118 nan 8.300 nan 0.000 0.474 1010 Q N 0.110 119.607 119.800 -0.506 0.000 2.045 1010 Q HA -0.257 4.082 4.340 -0.002 0.000 0.206 1010 Q C 2.029 177.787 176.000 -0.403 0.000 0.991 1010 Q CA 2.004 57.485 55.803 -0.535 0.000 0.851 1010 Q CB -0.482 27.966 28.738 -0.483 0.000 0.911 1010 Q HN 0.464 nan 8.270 nan 0.000 0.418 1011 D N 0.395 120.609 120.400 -0.311 0.000 2.106 1011 D HA -0.172 4.467 4.640 -0.002 0.000 0.191 1011 D C 1.935 178.063 176.300 -0.287 0.000 0.997 1011 D CA 1.184 55.039 54.000 -0.242 0.000 0.834 1011 D CB -0.240 40.450 40.800 -0.183 0.000 0.956 1011 D HN 0.257 nan 8.370 nan 0.000 0.448 1012 I N 0.830 121.187 120.570 -0.354 0.000 2.142 1012 I HA -0.302 3.867 4.170 -0.002 0.000 0.240 1012 I C 2.724 178.561 176.117 -0.468 0.000 1.078 1012 I CA 0.766 61.832 61.300 -0.389 0.000 1.343 1012 I CB -0.369 37.362 38.000 -0.448 0.000 1.046 1012 I HN 0.066 nan 8.210 nan 0.000 0.405 1013 C N 0.179 119.127 119.300 -0.587 0.000 2.376 1013 C HA -0.196 4.263 4.460 -0.002 0.000 0.275 1013 C C 2.885 177.519 174.990 -0.592 0.000 1.200 1013 C CA 0.860 59.474 59.018 -0.674 0.000 1.756 1013 C CB -1.064 26.249 27.740 -0.712 0.000 2.050 1013 C HN 0.381 nan 8.230 nan 0.000 0.460 1014 V N 0.900 120.565 119.914 -0.415 0.000 2.233 1014 V HA -0.288 3.831 4.120 -0.002 0.000 0.247 1014 V C 2.503 178.476 176.094 -0.203 0.000 1.050 1014 V CA 2.216 64.370 62.300 -0.244 0.000 1.010 1014 V CB -0.717 31.012 31.823 -0.157 0.000 0.637 1014 V HN 0.556 nan 8.190 nan 0.000 0.444 1015 K N -0.116 120.159 120.400 -0.209 0.000 2.034 1015 K HA -0.258 4.061 4.320 -0.002 0.000 0.214 1015 K C 2.292 178.787 176.600 -0.175 0.000 1.051 1015 K CA 1.824 58.014 56.287 -0.161 0.000 0.931 1015 K CB -0.549 31.852 32.500 -0.166 0.000 0.715 1015 K HN 0.496 nan 8.250 nan 0.000 0.446 1016 A N 0.722 123.338 122.820 -0.339 0.000 1.883 1016 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 1016 A C 2.096 179.681 177.584 0.002 0.000 1.186 1016 A CA 1.584 53.334 52.037 -0.477 0.000 0.624 1016 A CB -0.858 17.607 19.000 -0.892 0.000 0.822 1016 A HN 0.439 nan 8.150 nan 0.000 0.444 1017 Y N 0.764 120.885 120.300 -0.299 0.000 2.070 1017 Y HA -0.204 4.345 4.550 -0.002 0.000 0.280 1017 Y C 2.031 177.894 175.900 -0.061 0.000 1.148 1017 Y CA 1.609 59.566 58.100 -0.238 0.000 1.125 1017 Y CB -0.960 37.141 38.460 -0.599 0.000 0.975 1017 Y HN 0.231 nan 8.280 nan 0.000 0.492 1018 L N 0.064 121.148 121.223 -0.231 0.000 1.991 1018 L HA -0.354 3.985 4.340 -0.002 0.000 0.221 1018 L C 2.786 179.589 176.870 -0.113 0.000 1.079 1018 L CA 1.814 56.476 54.840 -0.296 0.000 0.778 1018 L CB -1.313 40.644 42.059 -0.170 0.000 0.893 1018 L HN 0.327 nan 8.230 nan 0.000 0.437 1019 A N -0.214 122.707 122.820 0.169 0.000 1.948 1019 A HA -0.192 4.127 4.320 -0.002 0.000 0.220 1019 A C 2.260 180.092 177.584 0.413 0.000 1.177 1019 A CA 1.660 53.956 52.037 0.432 0.000 0.636 1019 A CB -0.726 18.561 19.000 0.478 0.000 0.815 1019 A HN 0.412 nan 8.150 nan 0.000 0.449 1020 L N -1.298 120.132 121.223 0.345 0.000 2.056 1020 L HA -0.186 4.153 4.340 -0.002 0.000 0.207 1020 L C 2.819 179.772 176.870 0.138 0.000 1.078 1020 L CA 1.547 56.516 54.840 0.215 0.000 0.749 1020 L CB -0.533 41.661 42.059 0.226 0.000 0.901 1020 L HN 0.380 nan 8.230 nan 0.000 0.433 1021 R N -0.792 119.694 120.500 -0.022 0.000 2.152 1021 R HA -0.160 4.179 4.340 -0.002 0.000 0.232 1021 R C 2.045 178.251 176.300 -0.156 0.000 1.117 1021 R CA 1.098 57.112 56.100 -0.143 0.000 0.981 1021 R CB -0.508 29.588 30.300 -0.340 0.000 0.870 1021 R HN 0.481 nan 8.270 nan 0.000 0.451 1022 H N -0.867 118.171 119.070 -0.054 0.000 2.489 1022 H HA -0.075 4.480 4.556 -0.002 0.000 0.295 1022 H C 0.920 176.033 175.328 -0.358 0.000 1.082 1022 H CA 1.042 56.976 56.048 -0.190 0.000 1.295 1022 H CB 0.115 29.752 29.762 -0.208 0.000 1.380 1022 H HN 0.318 nan 8.280 nan 0.000 0.548 1023 H N -1.192 117.919 119.070 0.068 0.000 2.581 1023 H HA 0.139 4.694 4.556 -0.002 0.000 0.275 1023 H C 1.325 176.657 175.328 0.008 0.000 1.126 1023 H CA 0.200 56.266 56.048 0.029 0.000 1.097 1023 H CB 0.613 30.383 29.762 0.012 0.000 1.626 1023 H HN 0.271 nan 8.280 nan 0.000 0.565 1024 T N 1.731 116.323 114.554 0.063 0.000 2.602 1024 T HA -0.271 4.078 4.350 -0.002 0.000 0.264 1024 T C 1.946 176.670 174.700 0.040 0.000 1.085 1024 T CA 2.173 64.292 62.100 0.031 0.000 1.164 1024 T CB -0.117 68.743 68.868 -0.013 0.000 0.860 1024 T HN 0.419 nan 8.240 nan 0.000 0.442 1025 N N 0.689 119.410 118.700 0.036 0.000 2.060 1025 N HA -0.076 4.663 4.740 -0.002 0.000 0.195 1025 N C 1.736 177.281 175.510 0.058 0.000 1.028 1025 N CA 1.029 54.105 53.050 0.043 0.000 0.861 1025 N CB -0.644 37.865 38.487 0.037 0.000 1.029 1025 N HN 0.291 nan 8.380 nan 0.000 0.428 1026 L N 0.396 121.664 121.223 0.074 0.000 1.989 1026 L HA -0.175 4.164 4.340 -0.002 0.000 0.211 1026 L C 1.889 178.805 176.870 0.077 0.000 1.071 1026 L CA 1.374 56.256 54.840 0.071 0.000 0.749 1026 L CB -0.397 41.718 42.059 0.093 0.000 0.890 1026 L HN 0.255 nan 8.230 nan 0.000 0.431 1027 L N -0.557 120.713 121.223 0.078 0.000 2.083 1027 L HA -0.282 4.057 4.340 -0.002 0.000 0.209 1027 L C 2.514 179.453 176.870 0.116 0.000 1.083 1027 L CA 1.300 56.190 54.840 0.082 0.000 0.752 1027 L CB -0.461 41.630 42.059 0.054 0.000 0.899 1027 L HN 0.294 nan 8.230 nan 0.000 0.433 1028 I N -0.643 119.977 120.570 0.083 0.000 2.226 1028 I HA -0.302 3.867 4.170 -0.002 0.000 0.245 1028 I C 2.498 178.704 176.117 0.148 0.000 1.100 1028 I CA 1.032 62.389 61.300 0.096 0.000 1.374 1028 I CB -0.124 37.904 38.000 0.047 0.000 1.057 1028 I HN 0.216 nan 8.210 nan 0.000 0.413 1029 I N 0.801 121.437 120.570 0.110 0.000 2.202 1029 I HA -0.229 3.940 4.170 -0.002 0.000 0.242 1029 I C 2.397 178.583 176.117 0.116 0.000 1.091 1029 I CA 1.624 62.984 61.300 0.101 0.000 1.368 1029 I CB -0.680 37.362 38.000 0.070 0.000 1.058 1029 I HN 0.145 nan 8.210 nan 0.000 0.410 1030 L N -0.430 120.864 121.223 0.118 0.000 1.941 1030 L HA -0.335 4.004 4.340 -0.002 0.000 0.224 1030 L C 2.610 179.569 176.870 0.149 0.000 1.081 1030 L CA 2.091 57.003 54.840 0.119 0.000 0.784 1030 L CB -1.292 40.838 42.059 0.117 0.000 0.894 1030 L HN 0.144 nan 8.230 nan 0.000 0.436 1031 F N 0.971 120.941 119.950 0.033 0.000 2.176 1031 F HA -0.365 4.161 4.527 -0.002 0.000 0.301 1031 F C 2.816 178.639 175.800 0.039 0.000 1.071 1031 F CA 2.001 60.022 58.000 0.036 0.000 1.289 1031 F CB -0.139 38.889 39.000 0.047 0.000 1.028 1031 F HN 0.262 nan 8.300 nan 0.000 0.494 1032 S N -0.103 115.724 115.700 0.212 0.000 2.371 1032 S HA -0.174 4.295 4.470 -0.002 0.000 0.221 1032 S C 2.061 176.683 174.600 0.036 0.000 1.036 1032 S CA 0.936 59.206 58.200 0.117 0.000 0.965 1032 S CB -0.621 62.661 63.200 0.135 0.000 0.845 1032 S HN 0.488 nan 8.310 nan 0.000 0.475 1033 M N 0.829 120.473 119.600 0.074 0.000 2.088 1033 M HA -0.185 4.294 4.480 -0.002 0.000 0.256 1033 M C 2.517 178.848 176.300 0.052 0.000 1.071 1033 M CA 2.383 57.762 55.300 0.132 0.000 1.097 1033 M CB -0.599 32.100 32.600 0.166 0.000 1.315 1033 M HN 0.500 nan 8.290 nan 0.000 0.406 1034 M N 0.703 120.282 119.600 -0.035 0.000 2.226 1034 M HA -0.312 4.167 4.480 -0.002 0.000 0.257 1034 M C 2.041 178.258 176.300 -0.138 0.000 1.070 1034 M CA 1.991 57.221 55.300 -0.116 0.000 1.087 1034 M CB -0.355 32.123 32.600 -0.203 0.000 1.278 1034 M HN 0.279 nan 8.290 nan 0.000 0.426 1035 L N -0.411 120.684 121.223 -0.214 0.000 2.043 1035 L HA -0.308 4.030 4.340 -0.002 0.000 0.212 1035 L C 2.596 179.432 176.870 -0.057 0.000 1.075 1035 L CA 1.796 56.539 54.840 -0.162 0.000 0.752 1035 L CB -0.864 41.080 42.059 -0.191 0.000 0.891 1035 L HN 0.554 nan 8.230 nan 0.000 0.432 1036 M N -0.633 118.966 119.600 -0.001 0.000 2.156 1036 M HA -0.116 4.363 4.480 -0.002 0.000 0.264 1036 M C 2.150 178.470 176.300 0.033 0.000 1.067 1036 M CA 2.149 57.486 55.300 0.062 0.000 1.131 1036 M CB -0.457 32.249 32.600 0.177 0.000 1.368 1036 M HN 0.392 nan 8.290 nan 0.000 0.416 1037 T N -3.415 111.137 114.554 -0.004 0.000 3.107 1037 T HA 0.229 4.578 4.350 -0.002 0.000 0.249 1037 T C 1.072 175.712 174.700 -0.100 0.000 1.096 1037 T CA 0.610 62.640 62.100 -0.117 0.000 1.012 1037 T CB 0.035 68.771 68.868 -0.221 0.000 0.977 1037 T HN 0.435 nan 8.240 nan 0.000 0.527 1038 G N 0.917 109.673 108.800 -0.074 0.000 5.021 1038 G HA2 0.511 4.470 3.960 -0.002 0.000 0.254 1038 G HA3 0.511 4.470 3.960 -0.002 0.000 0.254 1038 G C -0.307 174.552 174.900 -0.067 0.000 0.932 1038 G CA -0.496 44.559 45.100 -0.076 0.000 0.743 1038 G HN 0.216 nan 8.290 nan 0.000 0.441 1039 M N -0.036 119.540 119.600 -0.039 0.000 2.744 1039 M HA 0.495 4.974 4.480 -0.002 0.000 0.283 1039 M C -2.057 174.258 176.300 0.026 0.000 1.275 1039 M CA -1.982 53.316 55.300 -0.003 0.000 0.796 1039 M CB 0.496 33.126 32.600 0.050 0.000 1.739 1039 M HN -0.157 nan 8.290 nan 0.000 0.454 1040 P HA -0.063 nan 4.420 nan 0.000 0.299 1040 P C -0.515 176.825 177.300 0.068 0.000 1.423 1040 P CA 0.161 63.312 63.100 0.086 0.000 0.867 1040 P CB 0.054 31.836 31.700 0.136 0.000 1.610 1041 Q N -0.539 119.311 119.800 0.083 0.000 2.227 1041 Q HA 0.496 4.835 4.340 -0.002 0.000 0.245 1041 Q C -0.674 175.384 176.000 0.097 0.000 0.926 1041 Q CA -0.679 55.187 55.803 0.105 0.000 0.895 1041 Q CB 0.492 29.313 28.738 0.138 0.000 1.230 1041 Q HN 0.279 nan 8.270 nan 0.000 0.450 1042 L N -0.589 120.681 121.223 0.079 0.000 2.600 1042 L HA 0.570 4.909 4.340 -0.002 0.000 0.257 1042 L C -1.055 175.676 176.870 -0.231 0.000 1.048 1042 L CA -0.794 54.030 54.840 -0.025 0.000 0.869 1042 L CB 0.939 42.978 42.059 -0.032 0.000 1.482 1042 L HN 0.549 nan 8.230 nan 0.000 0.408 1043 T N 0.040 114.445 114.554 -0.249 0.000 2.723 1043 T HA 0.263 4.612 4.350 -0.002 0.000 0.297 1043 T C 1.215 175.707 174.700 -0.347 0.000 0.925 1043 T CA -0.167 61.681 62.100 -0.421 0.000 1.030 1043 T CB 0.598 69.347 68.868 -0.199 0.000 0.905 1043 T HN 0.622 nan 8.240 nan 0.000 0.502 1044 S N 2.548 117.948 115.700 -0.500 0.000 2.528 1044 S HA -0.089 4.380 4.470 -0.002 0.000 0.244 1044 S C 1.515 176.032 174.600 -0.137 0.000 0.982 1044 S CA 1.073 59.114 58.200 -0.265 0.000 0.953 1044 S CB -0.047 63.003 63.200 -0.250 0.000 0.754 1044 S HN 0.631 nan 8.310 nan 0.000 0.529 1045 K N 0.196 120.520 120.400 -0.127 0.000 2.431 1045 K HA 0.233 4.552 4.320 -0.002 0.000 0.213 1045 K C 2.001 178.592 176.600 -0.015 0.000 1.258 1045 K CA -0.122 56.135 56.287 -0.051 0.000 0.845 1045 K CB -0.192 32.282 32.500 -0.043 0.000 1.498 1045 K HN 0.004 nan 8.250 nan 0.000 0.451 1046 E N 1.529 121.713 120.200 -0.027 0.000 2.031 1046 E HA -0.223 4.126 4.350 -0.002 0.000 0.193 1046 E C 1.169 177.803 176.600 0.058 0.000 0.994 1046 E CA 1.551 57.958 56.400 0.013 0.000 0.800 1046 E CB 0.065 29.767 29.700 0.003 0.000 0.752 1046 E HN 0.221 nan 8.360 nan 0.000 0.447 1047 D N 0.490 120.922 120.400 0.053 0.000 2.117 1047 D HA -0.164 4.475 4.640 -0.002 0.000 0.197 1047 D C 2.067 178.529 176.300 0.271 0.000 0.987 1047 D CA 0.863 54.936 54.000 0.122 0.000 0.829 1047 D CB -0.065 40.773 40.800 0.064 0.000 0.961 1047 D HN 0.267 nan 8.370 nan 0.000 0.460 1048 I N 1.023 121.735 120.570 0.237 0.000 2.202 1048 I HA -0.181 3.988 4.170 -0.002 0.000 0.242 1048 I C 2.327 178.543 176.117 0.165 0.000 1.091 1048 I CA 0.850 62.357 61.300 0.343 0.000 1.368 1048 I CB -1.480 36.643 38.000 0.205 0.000 1.058 1048 I HN -0.084 nan 8.210 nan 0.000 0.410 1049 E N 0.831 121.088 120.200 0.095 0.000 2.197 1049 E HA -0.311 4.038 4.350 -0.002 0.000 0.205 1049 E C 2.147 178.742 176.600 -0.008 0.000 1.029 1049 E CA 1.752 58.171 56.400 0.031 0.000 0.828 1049 E CB -0.685 29.035 29.700 0.034 0.000 0.737 1049 E HN 0.592 nan 8.360 nan 0.000 0.464 1050 Y N 0.324 120.587 120.300 -0.063 0.000 2.081 1050 Y HA -0.252 4.297 4.550 -0.002 0.000 0.280 1050 Y C 2.170 177.932 175.900 -0.230 0.000 1.163 1050 Y CA 2.126 60.159 58.100 -0.112 0.000 1.135 1050 Y CB -0.417 37.998 38.460 -0.074 0.000 0.970 1050 Y HN 0.175 nan 8.280 nan 0.000 0.498 1051 I N -0.142 120.164 120.570 -0.439 0.000 2.454 1051 I HA -0.282 3.887 4.170 -0.002 0.000 0.254 1051 I C 2.606 178.492 176.117 -0.385 0.000 1.156 1051 I CA 1.224 62.165 61.300 -0.598 0.000 1.433 1051 I CB -0.265 37.185 38.000 -0.916 0.000 1.082 1051 I HN 0.243 nan 8.210 nan 0.000 0.432 1052 R N 0.835 121.174 120.500 -0.267 0.000 2.070 1052 R HA -0.217 4.122 4.340 -0.002 0.000 0.233 1052 R C 1.777 177.972 176.300 -0.174 0.000 1.137 1052 R CA 2.429 58.432 56.100 -0.162 0.000 0.945 1052 R CB -0.236 30.003 30.300 -0.101 0.000 0.845 1052 R HN 0.338 nan 8.270 nan 0.000 0.430 1053 D N -0.199 120.064 120.400 -0.228 0.000 2.182 1053 D HA -0.158 4.481 4.640 -0.002 0.000 0.201 1053 D C 1.580 177.761 176.300 -0.198 0.000 0.986 1053 D CA 1.514 55.383 54.000 -0.218 0.000 0.847 1053 D CB -0.157 40.512 40.800 -0.219 0.000 0.942 1053 D HN 0.402 nan 8.370 nan 0.000 0.467 1054 A N 0.204 122.807 122.820 -0.362 0.000 1.854 1054 A HA -0.015 4.304 4.320 -0.002 0.000 0.214 1054 A C 2.058 179.774 177.584 0.220 0.000 1.192 1054 A CA 0.645 52.523 52.037 -0.265 0.000 0.611 1054 A CB -0.702 17.840 19.000 -0.764 0.000 0.832 1054 A HN 0.212 nan 8.150 nan 0.000 0.442 1055 L N -0.420 120.861 121.223 0.096 0.000 2.622 1055 L HA -0.011 4.328 4.340 -0.002 0.000 0.233 1055 L C 0.939 177.902 176.870 0.155 0.000 1.156 1055 L CA 0.710 55.683 54.840 0.222 0.000 0.866 1055 L CB -0.489 41.611 42.059 0.068 0.000 0.980 1055 L HN 0.447 nan 8.230 nan 0.000 0.448 1056 T N -0.297 114.311 114.554 0.091 0.000 4.056 1056 T HA -0.148 4.201 4.350 -0.002 0.000 0.356 1056 T C 0.301 174.964 174.700 -0.061 0.000 0.757 1056 T CA -0.080 62.005 62.100 -0.024 0.000 1.949 1056 T CB -1.032 67.885 68.868 0.083 0.000 1.834 1056 T HN 0.043 nan 8.240 nan 0.000 0.846 1057 V N 0.590 120.464 119.914 -0.065 0.000 2.788 1057 V HA 0.356 4.475 4.120 -0.002 0.000 0.307 1057 V C 1.938 177.994 176.094 -0.063 0.000 1.069 1057 V CA 1.541 63.804 62.300 -0.061 0.000 1.173 1057 V CB 0.795 32.585 31.823 -0.055 0.000 0.925 1057 V HN 1.295 nan 8.190 nan 0.000 0.492 1058 G N 3.218 111.985 108.800 -0.055 0.000 2.168 1058 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.263 1058 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.263 1058 G C 0.274 175.144 174.900 -0.050 0.000 0.977 1058 G CA 0.451 45.523 45.100 -0.047 0.000 0.659 1058 G HN 0.563 nan 8.290 nan 0.000 0.533 1059 K N 0.489 120.852 120.400 -0.061 0.000 2.502 1059 K HA 0.535 4.854 4.320 -0.002 0.000 0.252 1059 K C 0.507 177.073 176.600 -0.056 0.000 1.043 1059 K CA -0.603 55.651 56.287 -0.055 0.000 0.999 1059 K CB 0.360 32.823 32.500 -0.061 0.000 1.343 1059 K HN 0.482 nan 8.250 nan 0.000 0.513 1060 N N -0.301 118.370 118.700 -0.047 0.000 2.292 1060 N HA 0.155 4.894 4.740 -0.002 0.000 0.303 1060 N C 0.212 175.689 175.510 -0.055 0.000 1.140 1060 N CA -0.424 52.596 53.050 -0.049 0.000 0.788 1060 N CB 1.809 40.277 38.487 -0.032 0.000 1.361 1060 N HN 0.380 nan 8.380 nan 0.000 0.489 1061 E N 0.110 120.267 120.200 -0.072 0.000 2.208 1061 E HA -0.241 4.108 4.350 -0.002 0.000 0.202 1061 E C 0.630 177.202 176.600 -0.046 0.000 1.014 1061 E CA 1.596 57.944 56.400 -0.087 0.000 0.819 1061 E CB 0.163 29.816 29.700 -0.078 0.000 0.735 1061 E HN 0.584 nan 8.360 nan 0.000 0.469 1062 E N 0.716 120.904 120.200 -0.021 0.000 2.072 1062 E HA -0.134 4.215 4.350 -0.002 0.000 0.190 1062 E C 1.698 178.316 176.600 0.030 0.000 0.982 1062 E CA 0.784 57.185 56.400 0.003 0.000 0.803 1062 E CB -0.248 29.454 29.700 0.003 0.000 0.755 1062 E HN 0.260 nan 8.360 nan 0.000 0.453 1063 D N 0.930 121.346 120.400 0.027 0.000 2.144 1063 D HA -0.056 4.583 4.640 -0.002 0.000 0.200 1063 D C 1.829 178.202 176.300 0.123 0.000 0.978 1063 D CA 1.377 55.411 54.000 0.057 0.000 0.833 1063 D CB -0.164 40.649 40.800 0.022 0.000 0.961 1063 D HN 0.134 nan 8.370 nan 0.000 0.470 1064 A N 1.300 124.176 122.820 0.093 0.000 1.835 1064 A HA -0.234 4.085 4.320 -0.002 0.000 0.215 1064 A C 2.068 179.815 177.584 0.272 0.000 1.199 1064 A CA 2.059 54.208 52.037 0.187 0.000 0.615 1064 A CB -0.680 18.276 19.000 -0.073 0.000 0.838 1064 A HN 0.181 nan 8.150 nan 0.000 0.444 1065 K N 0.042 120.514 120.400 0.119 0.000 2.097 1065 K HA -0.314 4.005 4.320 -0.002 0.000 0.214 1065 K C 2.169 178.867 176.600 0.163 0.000 1.052 1065 K CA 2.405 58.763 56.287 0.118 0.000 0.932 1065 K CB -0.230 32.290 32.500 0.035 0.000 0.716 1065 K HN 0.528 nan 8.250 nan 0.000 0.455 1066 K N -0.426 120.064 120.400 0.149 0.000 2.025 1066 K HA -0.214 4.105 4.320 -0.002 0.000 0.207 1066 K C 2.175 178.893 176.600 0.196 0.000 1.049 1066 K CA 1.494 57.866 56.287 0.141 0.000 0.933 1066 K CB -0.462 32.106 32.500 0.113 0.000 0.714 1066 K HN 0.323 nan 8.250 nan 0.000 0.438 1067 Y N 0.037 120.415 120.300 0.129 0.000 2.081 1067 Y HA -0.320 4.229 4.550 -0.002 0.000 0.280 1067 Y C 2.005 177.950 175.900 0.076 0.000 1.163 1067 Y CA 1.989 60.163 58.100 0.124 0.000 1.135 1067 Y CB -0.271 38.307 38.460 0.196 0.000 0.970 1067 Y HN 0.165 nan 8.280 nan 0.000 0.498 1068 F N 0.318 120.210 119.950 -0.096 0.000 2.146 1068 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 1068 F C 1.956 177.619 175.800 -0.229 0.000 1.096 1068 F CA 1.485 59.264 58.000 -0.368 0.000 1.275 1068 F CB -0.416 38.404 39.000 -0.301 0.000 1.008 1068 F HN 0.003 nan 8.300 nan 0.000 0.480 1069 L N -0.261 121.008 121.223 0.075 0.000 2.353 1069 L HA -0.221 4.118 4.340 -0.002 0.000 0.220 1069 L C 1.874 178.715 176.870 -0.048 0.000 1.133 1069 L CA 0.943 55.795 54.840 0.021 0.000 0.798 1069 L CB -0.613 41.477 42.059 0.051 0.000 0.922 1069 L HN 0.151 nan 8.230 nan 0.000 0.445 1070 D N -0.759 119.579 120.400 -0.103 0.000 2.137 1070 D HA -0.133 4.506 4.640 -0.002 0.000 0.202 1070 D C 2.253 178.408 176.300 -0.241 0.000 0.970 1070 D CA 0.819 54.745 54.000 -0.123 0.000 0.837 1070 D CB 0.066 40.817 40.800 -0.082 0.000 0.981 1070 D HN 0.296 nan 8.370 nan 0.000 0.475 1071 Q N 0.801 120.325 119.800 -0.459 0.000 2.061 1071 Q HA -0.118 4.221 4.340 -0.002 0.000 0.204 1071 Q C 2.623 178.322 176.000 -0.502 0.000 0.984 1071 Q CA 0.586 56.011 55.803 -0.630 0.000 0.846 1071 Q CB -0.502 27.605 28.738 -1.051 0.000 0.902 1071 Q HN 0.433 nan 8.270 nan 0.000 0.421 1072 I N 1.317 121.738 120.570 -0.249 0.000 2.091 1072 I HA -0.309 3.860 4.170 -0.002 0.000 0.240 1072 I C 2.191 178.305 176.117 -0.005 0.000 1.046 1072 I CA 1.493 62.829 61.300 0.060 0.000 1.306 1072 I CB -0.403 37.711 38.000 0.191 0.000 1.018 1072 I HN 0.221 nan 8.210 nan 0.000 0.404 1073 E N 0.349 120.533 120.200 -0.026 0.000 2.265 1073 E HA -0.137 4.212 4.350 -0.002 0.000 0.196 1073 E C 2.313 178.869 176.600 -0.072 0.000 0.996 1073 E CA 0.941 57.333 56.400 -0.014 0.000 0.832 1073 E CB -0.171 29.530 29.700 0.002 0.000 0.756 1073 E HN 0.412 nan 8.360 nan 0.000 0.491 1074 V N 0.542 120.370 119.914 -0.144 0.000 2.358 1074 V HA -0.269 3.850 4.120 -0.002 0.000 0.246 1074 V C 2.499 178.495 176.094 -0.165 0.000 1.047 1074 V CA 1.516 63.722 62.300 -0.156 0.000 1.035 1074 V CB -0.630 31.068 31.823 -0.209 0.000 0.658 1074 V HN 0.323 nan 8.190 nan 0.000 0.452 1075 C N 0.175 119.346 119.300 -0.215 0.000 2.435 1075 C HA -0.081 4.378 4.460 -0.002 0.000 0.279 1075 C C 2.637 177.534 174.990 -0.154 0.000 1.321 1075 C CA 0.566 59.463 59.018 -0.202 0.000 1.752 1075 C CB -1.211 26.410 27.740 -0.199 0.000 1.959 1075 C HN 0.502 nan 8.230 nan 0.000 0.500 1076 R N 0.741 121.178 120.500 -0.105 0.000 2.313 1076 R HA 0.008 4.347 4.340 -0.002 0.000 0.199 1076 R C 0.814 177.059 176.300 -0.091 0.000 0.958 1076 R CA 0.617 56.654 56.100 -0.105 0.000 1.047 1076 R CB -0.232 30.024 30.300 -0.074 0.000 0.955 1076 R HN 0.587 nan 8.270 nan 0.000 0.481 1077 D N 0.804 121.156 120.400 -0.081 0.000 2.262 1077 D HA -0.001 4.638 4.640 -0.002 0.000 0.212 1077 D C 1.463 177.732 176.300 -0.052 0.000 0.964 1077 D CA 0.930 54.896 54.000 -0.056 0.000 0.875 1077 D CB 0.338 41.111 40.800 -0.043 0.000 0.996 1077 D HN -0.013 nan 8.370 nan 0.000 0.497 1078 K N 0.268 120.626 120.400 -0.070 0.000 2.116 1078 K HA 0.124 4.443 4.320 -0.002 0.000 0.203 1078 K C 1.475 178.038 176.600 -0.062 0.000 1.052 1078 K CA 0.819 57.080 56.287 -0.044 0.000 0.952 1078 K CB -0.118 32.355 32.500 -0.044 0.000 0.729 1078 K HN 0.157 nan 8.250 nan 0.000 0.446 1079 G N 0.449 109.148 108.800 -0.168 0.000 2.793 1079 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.334 1079 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.334 1079 G C 0.873 175.537 174.900 -0.393 0.000 1.186 1079 G CA 0.745 45.637 45.100 -0.347 0.000 0.960 1079 G HN 0.474 nan 8.290 nan 0.000 0.562 1080 W N 0.425 121.751 121.300 0.042 0.000 3.013 1080 W HA 0.335 4.994 4.660 -0.002 0.000 0.280 1080 W C 2.842 179.493 176.519 0.219 0.000 1.249 1080 W CA 0.633 58.048 57.345 0.117 0.000 1.577 1080 W CB -0.036 29.555 29.460 0.218 0.000 1.057 1080 W HN 0.417 nan 8.180 nan 0.000 0.613 1081 T N 0.892 115.660 114.554 0.357 0.000 2.751 1081 T HA -0.237 4.112 4.350 -0.002 0.000 0.268 1081 T C 1.679 176.609 174.700 0.383 0.000 1.045 1081 T CA 1.657 63.978 62.100 0.368 0.000 1.142 1081 T CB -0.408 68.584 68.868 0.207 0.000 0.851 1081 T HN -0.052 nan 8.240 nan 0.000 0.474 1082 V N 0.483 120.554 119.914 0.262 0.000 2.500 1082 V HA -0.048 4.071 4.120 -0.002 0.000 0.243 1082 V C 2.655 178.896 176.094 0.246 0.000 1.039 1082 V CA 0.982 63.402 62.300 0.200 0.000 1.053 1082 V CB -0.387 31.506 31.823 0.117 0.000 0.695 1082 V HN 0.297 nan 8.190 nan 0.000 0.463 1083 Q N -0.110 119.879 119.800 0.315 0.000 2.014 1083 Q HA -0.266 4.073 4.340 -0.002 0.000 0.207 1083 Q C 2.196 178.549 176.000 0.588 0.000 0.993 1083 Q CA 2.482 58.517 55.803 0.388 0.000 0.850 1083 Q CB -0.772 28.186 28.738 0.366 0.000 0.916 1083 Q HN 0.711 nan 8.270 nan 0.000 0.417 1084 F N 1.829 122.153 119.950 0.622 0.000 2.202 1084 F HA -0.222 4.304 4.527 -0.002 0.000 0.301 1084 F C 1.627 177.616 175.800 0.316 0.000 1.082 1084 F CA 1.393 59.713 58.000 0.533 0.000 1.313 1084 F CB -0.309 38.909 39.000 0.362 0.000 1.024 1084 F HN 0.057 nan 8.300 nan 0.000 0.495 1085 N N 0.201 118.797 118.700 -0.172 0.000 2.025 1085 N HA -0.234 4.505 4.740 -0.002 0.000 0.194 1085 N C -0.216 175.034 175.510 -0.434 0.000 1.044 1085 N CA 1.370 54.137 53.050 -0.472 0.000 0.851 1085 N CB -0.875 37.492 38.487 -0.200 0.000 1.036 1085 N HN 0.547 nan 8.380 nan 0.000 0.422 1086 W N 0.568 121.638 121.300 -0.383 0.000 2.520 1086 W HA 0.067 4.726 4.660 -0.002 0.000 0.337 1086 W C 0.068 176.291 176.519 -0.493 0.000 1.406 1086 W CA 0.560 57.625 57.345 -0.467 0.000 1.318 1086 W CB -0.201 28.850 29.460 -0.680 0.000 1.338 1086 W HN 0.274 nan 8.180 nan 0.000 0.570 1087 F N 1.518 121.318 119.950 -0.249 0.000 2.303 1087 F HA -0.382 4.144 4.527 -0.002 0.000 0.703 1087 F C 1.653 177.255 175.800 -0.330 0.000 0.487 1087 F CA 0.360 58.262 58.000 -0.163 0.000 1.384 1087 F CB -1.449 37.549 39.000 -0.003 0.000 2.162 1087 F HN 0.259 nan 8.300 nan 0.000 0.268 1088 L N 1.063 122.127 121.223 -0.265 0.000 2.079 1088 L HA -0.249 4.090 4.340 -0.002 0.000 0.210 1088 L C 2.268 178.995 176.870 -0.238 0.000 1.081 1088 L CA 1.918 56.549 54.840 -0.348 0.000 0.752 1088 L CB -0.365 41.336 42.059 -0.597 0.000 0.896 1088 L HN 0.353 nan 8.230 nan 0.000 0.433 1089 H N -0.863 118.060 119.070 -0.245 0.000 2.415 1089 H HA -0.025 4.530 4.556 -0.002 0.000 0.297 1089 H C 2.346 177.500 175.328 -0.290 0.000 1.048 1089 H CA 0.751 56.645 56.048 -0.257 0.000 1.365 1089 H CB -0.262 29.323 29.762 -0.296 0.000 1.421 1089 H HN 0.297 nan 8.280 nan 0.000 0.533 1090 L N 0.766 121.804 121.223 -0.308 0.000 2.151 1090 L HA -0.146 4.193 4.340 -0.002 0.000 0.215 1090 L C 0.626 177.420 176.870 -0.126 0.000 1.084 1090 L CA 1.146 55.812 54.840 -0.290 0.000 0.764 1090 L CB -0.312 41.563 42.059 -0.306 0.000 0.891 1090 L HN 0.015 nan 8.230 nan 0.000 0.435 1091 V N 0.000 119.864 119.914 -0.083 0.000 2.409 1091 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 1091 V CA 0.000 62.273 62.300 -0.046 0.000 1.235 1091 V CB 0.000 31.805 31.823 -0.030 0.000 1.184 1091 V HN 0.000 nan 8.190 nan 0.000 0.556