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 2qna_1_A DATA FIRST_RESID 126 DATA SEQUENCE SPELIPQLVA NVTNPNSTEH MKESTLEAIG YICQDIDPEQ LQDKSNEILT DATA SEQUENCE AIIQGMRKEE PSNNVKLAAT NALLNSLEFT KANFDKESER HFIMQVVCEA DATA SEQUENCE TQCPDTRVRV AALQNLVKIM SLYYQYMETY MGPALFAITI EAMKSDIDEV DATA SEQUENCE ALQGIEFWSN VCDEEMDLAI EASEAAEQGR PPEHTSKFYA KGALQYLVPI DATA SEQUENCE LTQTLTKQDE NDDDDDWNPC KAAGVCLMLL ATCCEDDIVP HVLPFIKEHI DATA SEQUENCE KNPDWRYRDA AVMAFGCILE GPEPSQLKPL VIQAMPTLIE LMKDPSVVVR DATA SEQUENCE DTAAWTVGRI CELLPEAAIN DVYLAPLLQC LIEGLSAEPR VASNVCWAFS DATA SEQUENCE SLAEAAYEAA DVADDQEEPA TYCLSSSFEL IVQKLLETTD RPDGHQNNLR DATA SEQUENCE SSAYESLMEI VKNSAKDCYP AVQKTTLVIM ERLQQVLQMX XXXXXXXXXX DATA SEQUENCE XFNDLQSLLC ATLQNVLRKV QHQDALQISD VVMASLLRMF QSTAGSGGVQ DATA SEQUENCE EDALMAVSTL VEVLGGEFLK YMEAFKPFLG IGLKNYAEYQ VCLAAVGLVG DATA SEQUENCE DLCRALQSNI IPFCDEVMQL LLENLGNENV HRSVKPQILS VFGDIALAIG DATA SEQUENCE GEFKKYLEVV LNTLQQASQA QVDKSDYDMV DYLNELRESC LEAYTGIVQG DATA SEQUENCE LKGDQENVHP DVMLVQPRVE FILSFIDHIA GDEDHTDGVV ACAAGLIGDL DATA SEQUENCE CTAFGKDVLK LVEARPMIHE LLTEGRRSKT NKAKTLATWA TKELRKLKNQ DATA SEQUENCE GLTRVD 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 126 S HA 0.000 nan 4.470 nan 0.000 0.327 126 S C 0.000 174.590 174.600 -0.017 0.000 1.055 126 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 126 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 127 P HA -0.152 nan 4.420 nan 0.000 0.222 127 P C 0.811 178.106 177.300 -0.009 0.000 1.157 127 P CA 1.733 64.827 63.100 -0.011 0.000 0.905 127 P CB 0.272 31.967 31.700 -0.009 0.000 0.792 128 E N -3.961 116.235 120.200 -0.008 0.000 2.626 128 E HA 0.038 4.390 4.350 0.002 0.000 0.198 128 E C 1.457 178.055 176.600 -0.004 0.000 0.943 128 E CA -0.197 56.200 56.400 -0.005 0.000 1.515 128 E CB -0.389 29.308 29.700 -0.004 0.000 1.677 128 E HN -0.065 nan 8.360 nan 0.000 0.897 129 L N 1.584 122.805 121.223 -0.004 0.000 1.970 129 L HA -0.154 4.187 4.340 0.002 0.000 0.212 129 L C 1.926 178.797 176.870 0.001 0.000 1.071 129 L CA 1.711 56.550 54.840 -0.001 0.000 0.751 129 L CB -0.308 41.750 42.059 -0.001 0.000 0.889 129 L HN 0.179 nan 8.230 nan 0.000 0.432 130 I N 0.107 120.675 120.570 -0.002 0.000 2.127 130 I HA -0.200 3.972 4.170 0.002 0.000 0.241 130 I C 0.032 176.150 176.117 0.001 0.000 1.075 130 I CA 1.701 63.002 61.300 0.001 0.000 1.334 130 I CB -2.897 35.100 38.000 -0.006 0.000 1.040 130 I HN 0.263 nan 8.210 nan 0.000 0.405 131 P HA -0.179 nan 4.420 nan 0.000 0.216 131 P C 1.800 179.099 177.300 -0.001 0.000 1.150 131 P CA 1.465 64.563 63.100 -0.003 0.000 0.843 131 P CB -0.102 31.595 31.700 -0.005 0.000 0.787 132 Q N -0.899 118.901 119.800 0.000 0.000 2.084 132 Q HA -0.136 4.206 4.340 0.002 0.000 0.202 132 Q C 2.156 178.158 176.000 0.002 0.000 0.978 132 Q CA 1.242 57.046 55.803 0.001 0.000 0.844 132 Q CB -0.660 28.079 28.738 0.003 0.000 0.898 132 Q HN 0.281 nan 8.270 nan 0.000 0.426 133 L N -0.478 120.748 121.223 0.004 0.000 2.027 133 L HA -0.171 4.170 4.340 0.002 0.000 0.206 133 L C 2.348 179.220 176.870 0.003 0.000 1.074 133 L CA 0.718 55.561 54.840 0.005 0.000 0.745 133 L CB -0.499 41.567 42.059 0.012 0.000 0.898 133 L HN 0.063 nan 8.230 nan 0.000 0.433 134 V N 0.195 120.112 119.914 0.004 0.000 2.287 134 V HA -0.320 3.801 4.120 0.002 0.000 0.248 134 V C 2.779 178.872 176.094 -0.002 0.000 1.053 134 V CA 1.903 64.204 62.300 0.002 0.000 1.027 134 V CB -1.000 30.824 31.823 0.001 0.000 0.646 134 V HN 0.493 nan 8.190 nan 0.000 0.447 135 A N 0.161 122.980 122.820 -0.002 0.000 1.933 135 A HA -0.221 4.100 4.320 0.002 0.000 0.218 135 A C 1.960 179.543 177.584 -0.002 0.000 1.175 135 A CA 1.873 53.908 52.037 -0.003 0.000 0.628 135 A CB -0.654 18.345 19.000 -0.002 0.000 0.814 135 A HN 0.588 nan 8.150 nan 0.000 0.444 136 N N -0.312 118.387 118.700 -0.001 0.000 2.571 136 N HA -0.027 4.714 4.740 0.002 0.000 0.189 136 N C 1.211 176.717 175.510 -0.006 0.000 1.154 136 N CA 1.129 54.178 53.050 -0.002 0.000 0.907 136 N CB 0.283 38.768 38.487 -0.004 0.000 0.977 136 N HN 0.368 nan 8.380 nan 0.000 0.449 137 V N -0.413 119.498 119.914 -0.005 0.000 3.013 137 V HA -0.049 4.072 4.120 0.002 0.000 0.238 137 V C 2.320 178.412 176.094 -0.004 0.000 1.161 137 V CA 1.434 63.730 62.300 -0.006 0.000 1.170 137 V CB -0.159 31.660 31.823 -0.007 0.000 0.917 137 V HN 0.319 nan 8.190 nan 0.000 0.478 138 T N -1.766 112.785 114.554 -0.004 0.000 2.951 138 T HA -0.103 4.248 4.350 0.002 0.000 0.268 138 T C 0.993 175.691 174.700 -0.003 0.000 1.073 138 T CA 0.635 62.732 62.100 -0.005 0.000 1.134 138 T CB -0.592 68.270 68.868 -0.009 0.000 0.884 138 T HN 0.404 nan 8.240 nan 0.000 0.479 139 N N 3.158 121.857 118.700 -0.001 0.000 2.440 139 N HA 0.017 4.758 4.740 0.002 0.000 0.265 139 N C -1.473 174.038 175.510 0.003 0.000 1.239 139 N CA -1.120 51.931 53.050 0.001 0.000 0.909 139 N CB 1.299 39.788 38.487 0.002 0.000 1.066 139 N HN 0.178 nan 8.380 nan 0.000 0.474 140 P HA -0.057 nan 4.420 nan 0.000 0.223 140 P C 0.077 177.382 177.300 0.007 0.000 1.151 140 P CA 1.213 64.316 63.100 0.005 0.000 0.787 140 P CB 0.198 31.901 31.700 0.004 0.000 0.788 141 N N -0.871 117.834 118.700 0.008 0.000 2.398 141 N HA 0.041 4.782 4.740 0.002 0.000 0.188 141 N C -0.095 175.424 175.510 0.014 0.000 1.122 141 N CA -0.112 52.944 53.050 0.010 0.000 0.866 141 N CB 0.008 38.501 38.487 0.009 0.000 0.970 141 N HN -0.019 nan 8.380 nan 0.000 0.462 142 S N 0.984 116.692 115.700 0.014 0.000 2.533 142 S HA 0.034 4.505 4.470 0.002 0.000 0.282 142 S C 0.759 175.373 174.600 0.023 0.000 1.304 142 S CA -0.455 57.755 58.200 0.018 0.000 1.063 142 S CB 0.646 63.852 63.200 0.009 0.000 0.881 142 S HN 0.291 nan 8.310 nan 0.000 0.493 143 T N 0.400 114.977 114.554 0.038 0.000 2.748 143 T HA 0.165 4.516 4.350 0.002 0.000 0.304 143 T C 1.186 175.916 174.700 0.050 0.000 1.041 143 T CA -0.612 61.518 62.100 0.050 0.000 1.033 143 T CB 0.482 69.396 68.868 0.077 0.000 0.995 143 T HN 0.681 nan 8.240 nan 0.000 0.536 144 E N -0.385 119.848 120.200 0.055 0.000 2.118 144 E HA -0.296 4.055 4.350 0.002 0.000 0.195 144 E C 1.854 178.493 176.600 0.065 0.000 0.992 144 E CA 1.243 57.672 56.400 0.049 0.000 0.804 144 E CB -0.216 29.512 29.700 0.048 0.000 0.741 144 E HN 0.859 nan 8.360 nan 0.000 0.458 145 H N -0.085 118.990 119.070 0.009 0.000 2.326 145 H HA -0.110 4.447 4.556 0.002 0.000 0.301 145 H C 2.164 177.500 175.328 0.013 0.000 1.081 145 H CA 1.389 57.443 56.048 0.011 0.000 1.334 145 H CB 0.008 29.776 29.762 0.010 0.000 1.385 145 H HN 0.183 nan 8.280 nan 0.000 0.504 146 M N 1.093 120.657 119.600 -0.060 0.000 2.080 146 M HA -0.164 4.318 4.480 0.002 0.000 0.260 146 M C 2.281 178.515 176.300 -0.111 0.000 1.068 146 M CA 1.568 56.805 55.300 -0.104 0.000 1.109 146 M CB -0.516 32.091 32.600 0.012 0.000 1.342 146 M HN 0.281 nan 8.290 nan 0.000 0.405 147 K N -0.588 119.777 120.400 -0.059 0.000 2.025 147 K HA -0.168 4.153 4.320 0.002 0.000 0.207 147 K C 2.025 178.590 176.600 -0.059 0.000 1.049 147 K CA 1.115 57.376 56.287 -0.043 0.000 0.933 147 K CB -0.239 32.250 32.500 -0.018 0.000 0.714 147 K HN 0.310 nan 8.250 nan 0.000 0.438 148 E N 0.711 120.868 120.200 -0.071 0.000 2.072 148 E HA -0.164 4.188 4.350 0.002 0.000 0.191 148 E C 2.084 178.635 176.600 -0.082 0.000 0.985 148 E CA 1.057 57.421 56.400 -0.060 0.000 0.801 148 E CB 0.043 29.722 29.700 -0.035 0.000 0.750 148 E HN 0.105 nan 8.360 nan 0.000 0.452 149 S N -0.691 114.906 115.700 -0.170 0.000 2.406 149 S HA -0.083 4.389 4.470 0.002 0.000 0.228 149 S C 1.892 176.445 174.600 -0.079 0.000 1.020 149 S CA 1.651 59.757 58.200 -0.157 0.000 0.965 149 S CB -0.154 62.839 63.200 -0.345 0.000 0.798 149 S HN 0.304 nan 8.310 nan 0.000 0.488 150 T N 2.335 116.839 114.554 -0.082 0.000 2.857 150 T HA 0.123 4.475 4.350 0.002 0.000 0.266 150 T C 1.702 176.396 174.700 -0.011 0.000 1.048 150 T CA 0.971 63.050 62.100 -0.036 0.000 1.139 150 T CB -0.280 68.567 68.868 -0.035 0.000 0.874 150 T HN 0.286 nan 8.240 nan 0.000 0.455 151 L N 0.708 121.919 121.223 -0.020 0.000 2.141 151 L HA -0.063 4.278 4.340 0.002 0.000 0.209 151 L C 2.664 179.525 176.870 -0.016 0.000 1.094 151 L CA 1.296 56.127 54.840 -0.014 0.000 0.763 151 L CB -0.462 41.584 42.059 -0.021 0.000 0.908 151 L HN 0.307 nan 8.230 nan 0.000 0.437 152 E N -0.103 120.094 120.200 -0.006 0.000 2.106 152 E HA -0.177 4.174 4.350 0.002 0.000 0.192 152 E C 2.326 178.988 176.600 0.104 0.000 0.984 152 E CA 1.010 57.416 56.400 0.010 0.000 0.806 152 E CB -0.135 29.601 29.700 0.059 0.000 0.750 152 E HN 0.501 nan 8.360 nan 0.000 0.458 153 A N 1.158 124.042 122.820 0.107 0.000 1.898 153 A HA -0.154 4.167 4.320 0.002 0.000 0.216 153 A C 2.159 179.809 177.584 0.110 0.000 1.181 153 A CA 0.961 53.078 52.037 0.133 0.000 0.620 153 A CB -0.528 18.514 19.000 0.070 0.000 0.819 153 A HN 0.127 nan 8.150 nan 0.000 0.442 154 I N -0.237 120.369 120.570 0.060 0.000 2.226 154 I HA -0.221 3.950 4.170 0.002 0.000 0.245 154 I C 2.705 178.854 176.117 0.055 0.000 1.100 154 I CA 1.149 62.481 61.300 0.054 0.000 1.374 154 I CB -0.577 37.444 38.000 0.034 0.000 1.057 154 I HN 0.404 nan 8.210 nan 0.000 0.413 155 G N -0.047 108.752 108.800 -0.000 0.000 2.446 155 G HA2 -0.281 3.680 3.960 0.002 0.000 0.217 155 G HA3 -0.281 3.680 3.960 0.002 0.000 0.217 155 G C 1.456 176.309 174.900 -0.079 0.000 1.168 155 G CA 0.759 45.809 45.100 -0.082 0.000 0.771 155 G HN 0.288 nan 8.290 nan 0.000 0.551 156 Y N 0.407 120.727 120.300 0.033 0.000 2.373 156 Y HA 0.132 4.683 4.550 0.002 0.000 0.293 156 Y C 2.665 178.589 175.900 0.039 0.000 1.129 156 Y CA 0.320 58.438 58.100 0.031 0.000 1.226 156 Y CB -0.141 38.331 38.460 0.019 0.000 1.000 156 Y HN 0.140 nan 8.280 nan 0.000 0.549 157 I N -1.592 119.087 120.570 0.182 0.000 2.315 157 I HA -0.323 3.849 4.170 0.002 0.000 0.248 157 I C 2.025 178.213 176.117 0.118 0.000 1.117 157 I CA 0.845 62.217 61.300 0.119 0.000 1.404 157 I CB -0.417 37.633 38.000 0.083 0.000 1.071 157 I HN 0.233 nan 8.210 nan 0.000 0.419 158 C N 0.081 119.476 119.300 0.159 0.000 2.432 158 C HA -0.135 4.326 4.460 0.002 0.000 0.280 158 C C 2.630 177.755 174.990 0.224 0.000 1.353 158 C CA 0.624 59.803 59.018 0.268 0.000 1.766 158 C CB -1.121 26.807 27.740 0.314 0.000 1.924 158 C HN 0.516 nan 8.230 nan 0.000 0.509 159 Q N 0.325 120.213 119.800 0.148 0.000 2.435 159 Q HA -0.089 4.253 4.340 0.002 0.000 0.207 159 Q C 1.083 177.149 176.000 0.110 0.000 0.956 159 Q CA 0.919 56.797 55.803 0.124 0.000 0.917 159 Q CB 0.050 28.864 28.738 0.127 0.000 0.997 159 Q HN 0.689 nan 8.270 nan 0.000 0.497 160 D N 0.351 120.812 120.400 0.101 0.000 2.454 160 D HA 0.075 4.716 4.640 0.002 0.000 0.247 160 D C 0.543 176.866 176.300 0.038 0.000 1.143 160 D CA 0.365 54.404 54.000 0.064 0.000 0.972 160 D CB 0.099 40.932 40.800 0.056 0.000 1.070 160 D HN 0.034 nan 8.370 nan 0.000 0.433 161 I N 1.813 122.391 120.570 0.013 0.000 2.696 161 I HA 0.037 4.209 4.170 0.002 0.000 0.284 161 I C 0.738 176.830 176.117 -0.041 0.000 1.129 161 I CA -0.222 61.062 61.300 -0.027 0.000 1.410 161 I CB 0.404 38.366 38.000 -0.063 0.000 1.399 161 I HN -0.069 nan 8.210 nan 0.000 0.579 162 D N 6.156 126.530 120.400 -0.043 0.000 2.357 162 D HA 0.085 4.726 4.640 0.002 0.000 0.242 162 D C -1.339 174.896 176.300 -0.108 0.000 1.153 162 D CA -1.157 52.819 54.000 -0.040 0.000 0.918 162 D CB 0.891 41.679 40.800 -0.021 0.000 1.181 162 D HN 0.350 nan 8.370 nan 0.000 0.435 163 P HA -0.170 nan 4.420 nan 0.000 0.227 163 P C 0.947 178.176 177.300 -0.119 0.000 1.145 163 P CA 0.880 63.898 63.100 -0.137 0.000 0.769 163 P CB 0.440 32.145 31.700 0.008 0.000 0.769 164 E N 0.999 121.150 120.200 -0.082 0.000 2.097 164 E HA -0.229 4.122 4.350 0.002 0.000 0.196 164 E C 2.176 178.729 176.600 -0.079 0.000 1.000 164 E CA 1.687 58.050 56.400 -0.062 0.000 0.804 164 E CB -0.667 29.007 29.700 -0.043 0.000 0.740 164 E HN 0.269 nan 8.360 nan 0.000 0.454 165 Q N -0.991 118.743 119.800 -0.110 0.000 2.324 165 Q HA 0.135 4.476 4.340 0.002 0.000 0.207 165 Q C 2.086 177.988 176.000 -0.164 0.000 0.928 165 Q CA 0.353 56.089 55.803 -0.111 0.000 0.890 165 Q CB 0.195 28.876 28.738 -0.094 0.000 1.001 165 Q HN 0.345 nan 8.270 nan 0.000 0.517 166 L N 0.445 121.495 121.223 -0.289 0.000 2.418 166 L HA -0.037 4.304 4.340 0.002 0.000 0.218 166 L C 2.063 178.696 176.870 -0.396 0.000 1.125 166 L CA 0.510 55.065 54.840 -0.475 0.000 0.835 166 L CB -0.015 41.442 42.059 -1.004 0.000 0.953 166 L HN 0.238 nan 8.230 nan 0.000 0.454 167 Q N -0.352 119.310 119.800 -0.230 0.000 2.311 167 Q HA -0.153 4.188 4.340 0.002 0.000 0.203 167 Q C 1.322 177.314 176.000 -0.013 0.000 0.954 167 Q CA 0.820 56.592 55.803 -0.052 0.000 0.885 167 Q CB 0.183 28.920 28.738 -0.001 0.000 0.963 167 Q HN 0.388 nan 8.270 nan 0.000 0.471 168 D N 0.426 120.801 120.400 -0.041 0.000 2.149 168 D HA -0.099 4.542 4.640 0.002 0.000 0.201 168 D C 1.404 177.694 176.300 -0.016 0.000 0.972 168 D CA 0.977 54.964 54.000 -0.023 0.000 0.835 168 D CB 0.277 41.059 40.800 -0.030 0.000 0.966 168 D HN 0.047 nan 8.370 nan 0.000 0.476 169 K N 0.382 120.764 120.400 -0.031 0.000 2.400 169 K HA 0.066 4.387 4.320 0.002 0.000 0.194 169 K C 1.927 178.550 176.600 0.039 0.000 1.033 169 K CA 0.222 56.502 56.287 -0.011 0.000 1.021 169 K CB -0.058 32.422 32.500 -0.032 0.000 0.808 169 K HN 0.104 nan 8.250 nan 0.000 0.505 170 S N 1.277 117.027 115.700 0.082 0.000 2.419 170 S HA -0.214 4.257 4.470 0.002 0.000 0.235 170 S C 1.848 176.509 174.600 0.103 0.000 1.019 170 S CA 1.556 59.877 58.200 0.203 0.000 0.982 170 S CB -0.502 62.897 63.200 0.332 0.000 0.789 170 S HN 0.408 nan 8.310 nan 0.000 0.490 171 N N 0.801 119.530 118.700 0.048 0.000 2.188 171 N HA -0.074 4.667 4.740 0.002 0.000 0.184 171 N C 1.626 177.133 175.510 -0.004 0.000 1.018 171 N CA 1.237 54.291 53.050 0.006 0.000 0.858 171 N CB 0.006 38.488 38.487 -0.009 0.000 0.989 171 N HN 0.432 nan 8.380 nan 0.000 0.426 172 E N 0.092 120.297 120.200 0.008 0.000 2.140 172 E HA 0.093 4.444 4.350 0.002 0.000 0.191 172 E C 1.719 178.328 176.600 0.014 0.000 0.973 172 E CA 0.307 56.708 56.400 0.001 0.000 0.829 172 E CB 0.140 29.840 29.700 -0.000 0.000 0.781 172 E HN 0.348 nan 8.360 nan 0.000 0.466 173 I N 0.457 121.054 120.570 0.044 0.000 2.226 173 I HA -0.254 3.917 4.170 0.002 0.000 0.245 173 I C 2.038 178.181 176.117 0.043 0.000 1.100 173 I CA 0.977 62.315 61.300 0.064 0.000 1.374 173 I CB -0.169 37.914 38.000 0.138 0.000 1.057 173 I HN 0.106 nan 8.210 nan 0.000 0.413 174 L N 0.066 121.310 121.223 0.034 0.000 2.083 174 L HA -0.194 4.147 4.340 0.002 0.000 0.209 174 L C 2.625 179.482 176.870 -0.021 0.000 1.083 174 L CA 1.444 56.284 54.840 -0.001 0.000 0.752 174 L CB -0.801 41.245 42.059 -0.022 0.000 0.899 174 L HN 0.299 nan 8.230 nan 0.000 0.433 175 T N -0.122 114.415 114.554 -0.029 0.000 2.720 175 T HA -0.218 4.134 4.350 0.002 0.000 0.268 175 T C 1.932 176.618 174.700 -0.024 0.000 1.037 175 T CA 1.463 63.536 62.100 -0.044 0.000 1.144 175 T CB -0.225 68.615 68.868 -0.047 0.000 0.864 175 T HN 0.474 nan 8.240 nan 0.000 0.444 176 A N 0.673 123.487 122.820 -0.010 0.000 1.930 176 A HA 0.130 4.451 4.320 0.002 0.000 0.215 176 A C 2.298 179.881 177.584 -0.001 0.000 1.176 176 A CA 0.758 52.792 52.037 -0.004 0.000 0.632 176 A CB -0.600 18.401 19.000 0.001 0.000 0.819 176 A HN 0.492 nan 8.150 nan 0.000 0.445 177 I N -0.279 120.292 120.570 0.001 0.000 2.202 177 I HA -0.246 3.925 4.170 0.002 0.000 0.242 177 I C 2.232 178.351 176.117 0.003 0.000 1.091 177 I CA 1.385 62.685 61.300 0.000 0.000 1.368 177 I CB -0.302 37.698 38.000 -0.000 0.000 1.058 177 I HN 0.279 nan 8.210 nan 0.000 0.410 178 I N 0.204 120.779 120.570 0.008 0.000 2.286 178 I HA -0.300 3.872 4.170 0.002 0.000 0.248 178 I C 2.576 178.716 176.117 0.039 0.000 1.115 178 I CA 1.079 62.398 61.300 0.033 0.000 1.392 178 I CB -0.320 37.711 38.000 0.050 0.000 1.065 178 I HN 0.257 nan 8.210 nan 0.000 0.418 179 Q N 1.174 120.986 119.800 0.020 0.000 2.181 179 Q HA -0.141 4.200 4.340 0.002 0.000 0.205 179 Q C 2.075 178.083 176.000 0.014 0.000 0.980 179 Q CA 1.956 57.770 55.803 0.018 0.000 0.862 179 Q CB -0.487 28.253 28.738 0.004 0.000 0.905 179 Q HN 0.497 nan 8.270 nan 0.000 0.429 180 G N -1.004 107.801 108.800 0.007 0.000 2.494 180 G HA2 -0.074 3.887 3.960 0.002 0.000 0.216 180 G HA3 -0.074 3.887 3.960 0.002 0.000 0.216 180 G C 1.233 176.134 174.900 0.001 0.000 1.140 180 G CA 0.322 45.423 45.100 0.001 0.000 0.801 180 G HN 0.316 nan 8.290 nan 0.000 0.536 181 M N 0.621 120.224 119.600 0.005 0.000 2.476 181 M HA 0.157 4.639 4.480 0.002 0.000 0.262 181 M C 1.255 177.555 176.300 -0.000 0.000 1.111 181 M CA -0.111 55.189 55.300 -0.001 0.000 1.127 181 M CB 0.149 32.748 32.600 -0.001 0.000 1.376 181 M HN 0.179 nan 8.290 nan 0.000 0.465 182 R N 1.567 122.076 120.500 0.014 0.000 2.678 182 R HA -0.082 4.259 4.340 0.002 0.000 0.264 182 R C 0.836 177.133 176.300 -0.005 0.000 0.995 182 R CA 0.409 56.518 56.100 0.015 0.000 1.098 182 R CB 0.267 30.592 30.300 0.041 0.000 0.949 182 R HN 0.124 nan 8.270 nan 0.000 0.422 183 K N 1.569 121.957 120.400 -0.019 0.000 2.160 183 K HA -0.244 4.077 4.320 0.002 0.000 0.206 183 K C 0.743 177.335 176.600 -0.013 0.000 1.047 183 K CA 2.236 58.508 56.287 -0.025 0.000 0.930 183 K CB 0.115 32.591 32.500 -0.039 0.000 0.720 183 K HN 0.711 nan 8.250 nan 0.000 0.450 184 E N 0.827 121.024 120.200 -0.004 0.000 2.427 184 E HA -0.080 4.272 4.350 0.002 0.000 0.196 184 E C -0.099 176.503 176.600 0.002 0.000 1.028 184 E CA 0.350 56.751 56.400 0.001 0.000 0.864 184 E CB 0.074 29.779 29.700 0.009 0.000 0.813 184 E HN 0.259 nan 8.360 nan 0.000 0.514 185 E N 1.762 121.963 120.200 0.002 0.000 2.217 185 E HA 0.023 4.375 4.350 0.002 0.000 0.279 185 E C -1.606 174.993 176.600 -0.001 0.000 1.068 185 E CA -1.671 54.730 56.400 0.002 0.000 0.882 185 E CB 0.826 30.527 29.700 0.002 0.000 1.039 185 E HN -0.111 nan 8.360 nan 0.000 0.418 186 P HA -0.054 nan 4.420 nan 0.000 0.220 186 P C 0.089 177.390 177.300 0.000 0.000 1.152 186 P CA 0.330 63.430 63.100 0.000 0.000 0.812 186 P CB 0.347 32.048 31.700 0.002 0.000 0.792 187 S N 0.477 116.178 115.700 0.003 0.000 2.474 187 S HA 0.171 4.643 4.470 0.002 0.000 0.276 187 S C 1.189 175.789 174.600 0.000 0.000 1.227 187 S CA -0.608 57.594 58.200 0.004 0.000 1.050 187 S CB -0.215 62.989 63.200 0.008 0.000 0.939 187 S HN -0.087 nan 8.310 nan 0.000 0.490 188 N N 4.760 123.459 118.700 -0.000 0.000 2.331 188 N HA -0.047 4.694 4.740 0.002 0.000 0.180 188 N C 1.179 176.687 175.510 -0.002 0.000 1.019 188 N CA 0.675 53.723 53.050 -0.003 0.000 0.881 188 N CB -0.310 38.174 38.487 -0.004 0.000 0.972 188 N HN 0.597 nan 8.380 nan 0.000 0.435 189 N N 0.618 119.320 118.700 0.003 0.000 2.142 189 N HA -0.071 4.670 4.740 0.002 0.000 0.186 189 N C 1.788 177.297 175.510 -0.001 0.000 1.023 189 N CA 0.636 53.688 53.050 0.004 0.000 0.852 189 N CB -0.347 38.148 38.487 0.013 0.000 0.998 189 N HN 0.050 nan 8.380 nan 0.000 0.424 190 V N 1.830 121.743 119.914 -0.002 0.000 2.427 190 V HA -0.156 3.965 4.120 0.002 0.000 0.248 190 V C 2.250 178.339 176.094 -0.009 0.000 1.051 190 V CA 1.334 63.630 62.300 -0.007 0.000 1.048 190 V CB -0.344 31.476 31.823 -0.004 0.000 0.666 190 V HN 0.278 nan 8.190 nan 0.000 0.456 191 K N -0.228 120.167 120.400 -0.008 0.000 2.026 191 K HA -0.186 4.135 4.320 0.002 0.000 0.208 191 K C 2.165 178.756 176.600 -0.015 0.000 1.048 191 K CA 1.569 57.849 56.287 -0.011 0.000 0.929 191 K CB -0.451 32.041 32.500 -0.012 0.000 0.713 191 K HN 0.300 nan 8.250 nan 0.000 0.439 192 L N 1.224 122.438 121.223 -0.014 0.000 2.046 192 L HA -0.146 4.195 4.340 0.002 0.000 0.208 192 L C 2.231 179.086 176.870 -0.025 0.000 1.077 192 L CA 1.880 56.710 54.840 -0.018 0.000 0.747 192 L CB -0.658 41.394 42.059 -0.012 0.000 0.896 192 L HN 0.128 nan 8.230 nan 0.000 0.432 193 A N -0.507 122.300 122.820 -0.023 0.000 1.902 193 A HA -0.111 4.210 4.320 0.002 0.000 0.217 193 A C 2.425 179.986 177.584 -0.038 0.000 1.181 193 A CA 1.927 53.945 52.037 -0.032 0.000 0.623 193 A CB -1.160 17.825 19.000 -0.025 0.000 0.818 193 A HN 0.595 nan 8.150 nan 0.000 0.443 194 A N -1.219 121.584 122.820 -0.027 0.000 1.929 194 A HA 0.010 4.331 4.320 0.002 0.000 0.216 194 A C 2.265 179.833 177.584 -0.026 0.000 1.176 194 A CA 2.032 54.055 52.037 -0.023 0.000 0.628 194 A CB -1.031 17.961 19.000 -0.014 0.000 0.816 194 A HN 0.430 nan 8.150 nan 0.000 0.444 195 T N 0.746 115.285 114.554 -0.026 0.000 2.821 195 T HA -0.109 4.242 4.350 0.002 0.000 0.267 195 T C 1.776 176.455 174.700 -0.035 0.000 1.046 195 T CA 1.459 63.544 62.100 -0.025 0.000 1.139 195 T CB -0.378 68.477 68.868 -0.023 0.000 0.871 195 T HN 0.449 nan 8.240 nan 0.000 0.454 196 N N 1.523 120.194 118.700 -0.048 0.000 2.166 196 N HA 0.044 4.786 4.740 0.002 0.000 0.186 196 N C 1.999 177.457 175.510 -0.087 0.000 1.019 196 N CA 1.178 54.185 53.050 -0.072 0.000 0.856 196 N CB -0.531 37.901 38.487 -0.093 0.000 0.993 196 N HN 0.443 nan 8.380 nan 0.000 0.426 197 A N 0.324 123.098 122.820 -0.077 0.000 1.969 197 A HA -0.041 4.280 4.320 0.002 0.000 0.218 197 A C 2.169 179.723 177.584 -0.050 0.000 1.169 197 A CA 0.746 52.744 52.037 -0.066 0.000 0.635 197 A CB -0.563 18.411 19.000 -0.043 0.000 0.810 197 A HN 0.251 nan 8.150 nan 0.000 0.445 198 L N -0.811 120.387 121.223 -0.041 0.000 2.046 198 L HA -0.094 4.247 4.340 0.002 0.000 0.208 198 L C 2.235 179.075 176.870 -0.050 0.000 1.077 198 L CA 1.785 56.603 54.840 -0.036 0.000 0.747 198 L CB -0.498 41.554 42.059 -0.012 0.000 0.896 198 L HN 0.345 nan 8.230 nan 0.000 0.432 199 L N 0.111 121.306 121.223 -0.047 0.000 2.043 199 L HA -0.257 4.084 4.340 0.002 0.000 0.212 199 L C 2.104 178.931 176.870 -0.073 0.000 1.075 199 L CA 1.907 56.717 54.840 -0.049 0.000 0.752 199 L CB -0.786 41.246 42.059 -0.045 0.000 0.891 199 L HN 0.435 nan 8.230 nan 0.000 0.432 200 N N -1.225 117.428 118.700 -0.078 0.000 2.457 200 N HA -0.062 4.680 4.740 0.002 0.000 0.180 200 N C 1.773 177.210 175.510 -0.123 0.000 1.050 200 N CA 1.147 54.158 53.050 -0.064 0.000 0.906 200 N CB -0.169 38.294 38.487 -0.039 0.000 0.968 200 N HN 0.546 nan 8.380 nan 0.000 0.445 201 S N 0.030 115.596 115.700 -0.224 0.000 2.548 201 S HA 0.178 4.649 4.470 0.002 0.000 0.215 201 S C 1.781 175.885 174.600 -0.827 0.000 0.976 201 S CA -0.201 57.639 58.200 -0.599 0.000 0.908 201 S CB -0.336 62.693 63.200 -0.285 0.000 0.781 201 S HN 0.128 nan 8.310 nan 0.000 0.519 202 L N 1.401 122.403 121.223 -0.369 0.000 2.353 202 L HA -0.009 4.332 4.340 0.002 0.000 0.220 202 L C 2.217 178.980 176.870 -0.179 0.000 1.133 202 L CA 0.786 55.518 54.840 -0.180 0.000 0.798 202 L CB -0.491 41.540 42.059 -0.046 0.000 0.922 202 L HN 0.291 nan 8.230 nan 0.000 0.445 203 E N 0.507 120.523 120.200 -0.307 0.000 2.338 203 E HA -0.162 4.189 4.350 0.002 0.000 0.197 203 E C 0.810 177.465 176.600 0.091 0.000 1.007 203 E CA 1.023 57.380 56.400 -0.071 0.000 0.849 203 E CB -0.053 29.702 29.700 0.092 0.000 0.774 203 E HN 0.706 nan 8.360 nan 0.000 0.506 204 F N -1.655 118.354 119.950 0.100 0.000 2.802 204 F HA 0.329 4.857 4.527 0.002 0.000 0.346 204 F C 0.843 176.698 175.800 0.091 0.000 1.229 204 F CA -0.375 57.678 58.000 0.088 0.000 1.142 204 F CB -0.373 38.658 39.000 0.052 0.000 1.146 204 F HN -0.204 nan 8.300 nan 0.000 0.510 205 T N -3.174 111.404 114.554 0.041 0.000 3.122 205 T HA 0.092 4.444 4.350 0.002 0.000 0.250 205 T C 1.431 176.165 174.700 0.056 0.000 1.067 205 T CA 0.197 62.343 62.100 0.077 0.000 0.966 205 T CB -0.051 68.897 68.868 0.133 0.000 1.002 205 T HN 0.218 nan 8.240 nan 0.000 0.542 206 K N 3.082 123.526 120.400 0.074 0.000 2.059 206 K HA -0.027 4.294 4.320 0.002 0.000 0.212 206 K C 2.306 178.863 176.600 -0.072 0.000 1.050 206 K CA 1.761 58.052 56.287 0.008 0.000 0.927 206 K CB -1.445 31.175 32.500 0.200 0.000 0.714 206 K HN 0.407 nan 8.250 nan 0.000 0.447 207 A N 1.234 124.055 122.820 0.001 0.000 1.969 207 A HA -0.100 4.221 4.320 0.002 0.000 0.218 207 A C 1.871 179.412 177.584 -0.072 0.000 1.169 207 A CA 1.450 53.477 52.037 -0.017 0.000 0.635 207 A CB -0.486 18.526 19.000 0.020 0.000 0.810 207 A HN 0.404 nan 8.150 nan 0.000 0.445 208 N N -0.977 117.671 118.700 -0.086 0.000 2.250 208 N HA -0.053 4.689 4.740 0.002 0.000 0.181 208 N C 1.248 176.590 175.510 -0.280 0.000 1.017 208 N CA 1.076 54.032 53.050 -0.156 0.000 0.866 208 N CB -0.395 38.002 38.487 -0.150 0.000 0.985 208 N HN 0.502 nan 8.380 nan 0.000 0.429 209 F N 1.857 121.540 119.950 -0.444 0.000 2.502 209 F HA -0.057 4.471 4.527 0.002 0.000 0.298 209 F C 2.305 177.672 175.800 -0.720 0.000 1.111 209 F CA 0.710 58.325 58.000 -0.641 0.000 1.445 209 F CB -0.004 38.334 39.000 -1.103 0.000 1.081 209 F HN 0.050 nan 8.300 nan 0.000 0.558 210 D N 0.472 120.626 120.400 -0.409 0.000 2.097 210 D HA -0.126 4.516 4.640 0.002 0.000 0.197 210 D C 0.545 176.816 176.300 -0.049 0.000 0.984 210 D CA 0.831 54.693 54.000 -0.230 0.000 0.826 210 D CB 0.117 40.882 40.800 -0.058 0.000 0.973 210 D HN 0.163 nan 8.370 nan 0.000 0.460 211 K N 1.291 121.645 120.400 -0.078 0.000 2.297 211 K HA 0.030 4.351 4.320 0.002 0.000 0.286 211 K C 1.334 177.902 176.600 -0.053 0.000 1.053 211 K CA -0.154 56.107 56.287 -0.043 0.000 0.940 211 K CB 1.354 33.823 32.500 -0.051 0.000 1.019 211 K HN 0.255 nan 8.250 nan 0.000 0.475 212 E N 1.626 121.816 120.200 -0.016 0.000 2.150 212 E HA -0.198 4.153 4.350 0.002 0.000 0.193 212 E C 1.282 177.877 176.600 -0.009 0.000 0.985 212 E CA 1.620 58.014 56.400 -0.010 0.000 0.814 212 E CB 0.043 29.734 29.700 -0.016 0.000 0.752 212 E HN 0.534 nan 8.360 nan 0.000 0.466 213 S N 1.005 116.694 115.700 -0.018 0.000 2.371 213 S HA -0.142 4.329 4.470 0.002 0.000 0.224 213 S C 1.916 176.549 174.600 0.056 0.000 1.029 213 S CA 0.970 59.181 58.200 0.018 0.000 0.978 213 S CB -0.227 62.968 63.200 -0.008 0.000 0.833 213 S HN 0.320 nan 8.310 nan 0.000 0.466 214 E N 1.008 121.187 120.200 -0.034 0.000 2.150 214 E HA -0.042 4.310 4.350 0.002 0.000 0.193 214 E C 2.375 178.882 176.600 -0.155 0.000 0.985 214 E CA 0.499 56.844 56.400 -0.093 0.000 0.814 214 E CB -0.138 29.467 29.700 -0.160 0.000 0.752 214 E HN 0.484 nan 8.360 nan 0.000 0.466 215 R N 0.102 120.490 120.500 -0.186 0.000 2.075 215 R HA -0.159 4.182 4.340 0.002 0.000 0.232 215 R C 2.244 178.484 176.300 -0.099 0.000 1.126 215 R CA 1.410 57.344 56.100 -0.275 0.000 0.963 215 R CB -0.189 30.020 30.300 -0.153 0.000 0.858 215 R HN 0.212 nan 8.270 nan 0.000 0.435 216 H N -0.938 118.090 119.070 -0.070 0.000 2.421 216 H HA -0.141 4.417 4.556 0.002 0.000 0.298 216 H C 1.597 176.916 175.328 -0.017 0.000 1.087 216 H CA 2.074 58.107 56.048 -0.025 0.000 1.330 216 H CB -0.106 29.644 29.762 -0.019 0.000 1.388 216 H HN 0.182 nan 8.280 nan 0.000 0.526 217 F N -0.319 119.598 119.950 -0.054 0.000 2.149 217 F HA -0.031 4.497 4.527 0.002 0.000 0.294 217 F C 2.193 177.904 175.800 -0.149 0.000 1.095 217 F CA 1.078 59.023 58.000 -0.091 0.000 1.276 217 F CB -0.123 38.837 39.000 -0.066 0.000 1.023 217 F HN 0.109 nan 8.300 nan 0.000 0.480 218 I N -0.491 120.093 120.570 0.024 0.000 2.163 218 I HA -0.371 3.801 4.170 0.002 0.000 0.243 218 I C 2.356 178.409 176.117 -0.107 0.000 1.085 218 I CA 1.061 62.303 61.300 -0.096 0.000 1.347 218 I CB -0.399 37.396 38.000 -0.341 0.000 1.044 218 I HN 0.148 nan 8.210 nan 0.000 0.408 219 M N -0.206 119.314 119.600 -0.133 0.000 2.108 219 M HA -0.270 4.211 4.480 0.002 0.000 0.261 219 M C 2.351 178.571 176.300 -0.134 0.000 1.066 219 M CA 1.766 57.013 55.300 -0.088 0.000 1.107 219 M CB -1.252 31.314 32.600 -0.057 0.000 1.356 219 M HN 0.354 nan 8.290 nan 0.000 0.406 220 Q N 0.021 119.684 119.800 -0.230 0.000 2.084 220 Q HA -0.138 4.203 4.340 0.002 0.000 0.202 220 Q C 2.010 177.889 176.000 -0.202 0.000 0.978 220 Q CA 1.590 57.234 55.803 -0.265 0.000 0.844 220 Q CB 0.140 28.634 28.738 -0.407 0.000 0.898 220 Q HN 0.327 nan 8.270 nan 0.000 0.426 221 V N -0.136 119.670 119.914 -0.180 0.000 2.307 221 V HA -0.235 3.886 4.120 0.002 0.000 0.245 221 V C 2.297 178.347 176.094 -0.074 0.000 1.045 221 V CA 1.478 63.712 62.300 -0.110 0.000 1.024 221 V CB -0.385 31.414 31.823 -0.041 0.000 0.651 221 V HN 0.255 nan 8.190 nan 0.000 0.449 222 V N -1.068 118.810 119.914 -0.059 0.000 2.295 222 V HA -0.297 3.825 4.120 0.002 0.000 0.246 222 V C 2.529 178.587 176.094 -0.061 0.000 1.049 222 V CA 2.266 64.542 62.300 -0.040 0.000 1.024 222 V CB -0.837 30.982 31.823 -0.007 0.000 0.648 222 V HN 0.631 nan 8.190 nan 0.000 0.447 223 C N -0.207 119.045 119.300 -0.080 0.000 2.425 223 C HA -0.137 4.324 4.460 0.002 0.000 0.277 223 C C 2.687 177.621 174.990 -0.092 0.000 1.280 223 C CA 0.946 59.907 59.018 -0.095 0.000 1.744 223 C CB -1.008 26.668 27.740 -0.106 0.000 1.989 223 C HN 0.611 nan 8.230 nan 0.000 0.491 224 E N 0.568 120.712 120.200 -0.094 0.000 2.208 224 E HA -0.078 4.274 4.350 0.002 0.000 0.193 224 E C 2.255 178.815 176.600 -0.067 0.000 0.988 224 E CA 0.991 57.341 56.400 -0.084 0.000 0.828 224 E CB -0.144 29.500 29.700 -0.093 0.000 0.763 224 E HN 0.677 nan 8.360 nan 0.000 0.478 225 A N 1.142 123.925 122.820 -0.061 0.000 2.014 225 A HA -0.122 4.200 4.320 0.002 0.000 0.218 225 A C 2.339 179.893 177.584 -0.051 0.000 1.163 225 A CA 1.593 53.601 52.037 -0.048 0.000 0.652 225 A CB -0.695 18.281 19.000 -0.039 0.000 0.808 225 A HN 0.340 nan 8.150 nan 0.000 0.449 226 T N -3.278 111.239 114.554 -0.062 0.000 3.072 226 T HA -0.033 4.318 4.350 0.002 0.000 0.266 226 T C 1.226 175.886 174.700 -0.067 0.000 1.127 226 T CA 1.066 63.124 62.100 -0.069 0.000 1.107 226 T CB -0.078 68.734 68.868 -0.093 0.000 0.910 226 T HN 0.341 nan 8.240 nan 0.000 0.513 227 Q N 0.107 119.870 119.800 -0.062 0.000 2.247 227 Q HA 0.292 4.633 4.340 0.002 0.000 0.204 227 Q C 0.628 176.601 176.000 -0.046 0.000 0.872 227 Q CA -0.271 55.498 55.803 -0.057 0.000 0.951 227 Q CB -0.385 28.318 28.738 -0.059 0.000 1.099 227 Q HN 0.626 nan 8.270 nan 0.000 0.501 228 C N 2.625 121.900 119.300 -0.042 0.000 2.648 228 C HA 0.161 4.622 4.460 0.002 0.000 0.419 228 C C -0.806 174.166 174.990 -0.030 0.000 1.352 228 C CA -1.244 57.754 59.018 -0.034 0.000 1.816 228 C CB 0.373 28.095 27.740 -0.030 0.000 2.598 228 C HN 0.263 nan 8.230 nan 0.000 0.598 229 P HA -0.098 nan 4.420 nan 0.000 0.217 229 P C 0.193 177.481 177.300 -0.020 0.000 1.148 229 P CA 1.212 64.299 63.100 -0.022 0.000 0.828 229 P CB -0.116 31.573 31.700 -0.019 0.000 0.783 230 D N -1.237 119.152 120.400 -0.018 0.000 2.383 230 D HA 0.012 4.653 4.640 0.002 0.000 0.252 230 D C 0.915 177.205 176.300 -0.018 0.000 1.166 230 D CA 0.446 54.437 54.000 -0.015 0.000 0.879 230 D CB 1.025 41.817 40.800 -0.012 0.000 1.164 230 D HN -0.027 nan 8.370 nan 0.000 0.462 231 T N 4.357 118.901 114.554 -0.015 0.000 2.857 231 T HA -0.097 4.254 4.350 0.002 0.000 0.266 231 T C 1.899 176.590 174.700 -0.014 0.000 1.048 231 T CA 0.847 62.937 62.100 -0.016 0.000 1.139 231 T CB 0.130 68.990 68.868 -0.014 0.000 0.874 231 T HN 0.452 nan 8.240 nan 0.000 0.455 232 R N 0.690 121.184 120.500 -0.010 0.000 2.091 232 R HA -0.038 4.304 4.340 0.002 0.000 0.238 232 R C 2.453 178.746 176.300 -0.012 0.000 1.136 232 R CA 1.047 57.142 56.100 -0.008 0.000 0.959 232 R CB -0.811 29.486 30.300 -0.005 0.000 0.856 232 R HN 0.250 nan 8.270 nan 0.000 0.437 233 V N 0.936 120.841 119.914 -0.015 0.000 2.379 233 V HA -0.172 3.950 4.120 0.002 0.000 0.245 233 V C 2.490 178.570 176.094 -0.023 0.000 1.044 233 V CA 1.374 63.663 62.300 -0.019 0.000 1.036 233 V CB -0.572 31.240 31.823 -0.020 0.000 0.664 233 V HN 0.262 nan 8.190 nan 0.000 0.453 234 R N 0.132 120.616 120.500 -0.026 0.000 2.096 234 R HA -0.157 4.184 4.340 0.002 0.000 0.240 234 R C 2.235 178.517 176.300 -0.031 0.000 1.139 234 R CA 1.762 57.842 56.100 -0.033 0.000 0.952 234 R CB -0.549 29.731 30.300 -0.034 0.000 0.854 234 R HN 0.451 nan 8.270 nan 0.000 0.436 235 V N 0.592 120.494 119.914 -0.021 0.000 2.358 235 V HA -0.198 3.923 4.120 0.002 0.000 0.246 235 V C 2.495 178.582 176.094 -0.011 0.000 1.047 235 V CA 1.806 64.098 62.300 -0.014 0.000 1.035 235 V CB -0.729 31.090 31.823 -0.005 0.000 0.658 235 V HN 0.411 nan 8.190 nan 0.000 0.452 236 A N -0.100 122.712 122.820 -0.013 0.000 1.969 236 A HA -0.014 4.307 4.320 0.002 0.000 0.218 236 A C 2.380 179.955 177.584 -0.015 0.000 1.169 236 A CA 1.779 53.808 52.037 -0.014 0.000 0.635 236 A CB -0.603 18.385 19.000 -0.019 0.000 0.810 236 A HN 0.544 nan 8.150 nan 0.000 0.445 237 A N -0.353 122.454 122.820 -0.021 0.000 1.930 237 A HA 0.054 4.376 4.320 0.002 0.000 0.217 237 A C 2.096 179.665 177.584 -0.026 0.000 1.175 237 A CA 1.327 53.349 52.037 -0.025 0.000 0.627 237 A CB -0.473 18.506 19.000 -0.036 0.000 0.815 237 A HN 0.455 nan 8.150 nan 0.000 0.443 238 L N -0.984 120.221 121.223 -0.031 0.000 2.156 238 L HA -0.171 4.171 4.340 0.002 0.000 0.208 238 L C 2.776 179.653 176.870 0.011 0.000 1.095 238 L CA 0.999 55.818 54.840 -0.034 0.000 0.770 238 L CB -0.473 41.557 42.059 -0.047 0.000 0.914 238 L HN 0.444 nan 8.230 nan 0.000 0.439 239 Q N 0.132 119.940 119.800 0.013 0.000 2.135 239 Q HA -0.240 4.101 4.340 0.002 0.000 0.204 239 Q C 1.899 177.915 176.000 0.026 0.000 0.981 239 Q CA 1.966 57.782 55.803 0.023 0.000 0.856 239 Q CB -0.228 28.515 28.738 0.009 0.000 0.902 239 Q HN 0.594 nan 8.270 nan 0.000 0.425 240 N N 0.195 118.908 118.700 0.022 0.000 2.084 240 N HA -0.140 4.601 4.740 0.002 0.000 0.190 240 N C 1.752 177.304 175.510 0.069 0.000 1.030 240 N CA 0.939 54.011 53.050 0.036 0.000 0.849 240 N CB -0.087 38.421 38.487 0.034 0.000 1.012 240 N HN 0.115 nan 8.380 nan 0.000 0.423 241 L N 0.275 121.545 121.223 0.079 0.000 2.079 241 L HA -0.187 4.154 4.340 0.002 0.000 0.210 241 L C 2.094 179.116 176.870 0.254 0.000 1.081 241 L CA 0.814 55.748 54.840 0.155 0.000 0.752 241 L CB -0.520 41.572 42.059 0.056 0.000 0.896 241 L HN 0.114 nan 8.230 nan 0.000 0.433 242 V N -0.047 119.989 119.914 0.204 0.000 2.261 242 V HA -0.324 3.797 4.120 0.002 0.000 0.246 242 V C 2.524 178.612 176.094 -0.011 0.000 1.047 242 V CA 2.051 64.420 62.300 0.115 0.000 1.015 242 V CB -0.437 31.442 31.823 0.093 0.000 0.642 242 V HN 0.388 nan 8.190 nan 0.000 0.446 243 K N -0.478 119.919 120.400 -0.006 0.000 2.103 243 K HA -0.021 4.300 4.320 0.002 0.000 0.204 243 K C 1.978 178.528 176.600 -0.084 0.000 1.052 243 K CA 1.124 57.377 56.287 -0.056 0.000 0.945 243 K CB -0.185 32.287 32.500 -0.047 0.000 0.722 243 K HN 0.405 nan 8.250 nan 0.000 0.443 244 I N 0.335 120.893 120.570 -0.021 0.000 2.226 244 I HA -0.271 3.901 4.170 0.002 0.000 0.245 244 I C 2.347 178.442 176.117 -0.038 0.000 1.100 244 I CA 0.907 62.201 61.300 -0.010 0.000 1.374 244 I CB -0.088 37.977 38.000 0.109 0.000 1.057 244 I HN 0.240 nan 8.210 nan 0.000 0.413 245 M N -0.059 119.511 119.600 -0.050 0.000 2.159 245 M HA -0.196 4.285 4.480 0.002 0.000 0.263 245 M C 2.393 178.619 176.300 -0.124 0.000 1.063 245 M CA 1.652 56.874 55.300 -0.129 0.000 1.110 245 M CB -0.326 32.022 32.600 -0.421 0.000 1.374 245 M HN 0.091 nan 8.290 nan 0.000 0.411 246 S N -0.864 114.741 115.700 -0.159 0.000 2.428 246 S HA 0.020 4.492 4.470 0.002 0.000 0.230 246 S C 1.635 176.102 174.600 -0.222 0.000 1.014 246 S CA 0.990 59.089 58.200 -0.168 0.000 0.957 246 S CB -0.172 62.937 63.200 -0.153 0.000 0.784 246 S HN 0.549 nan 8.310 nan 0.000 0.499 247 L N -1.220 119.805 121.223 -0.330 0.000 2.349 247 L HA 0.262 4.603 4.340 0.002 0.000 0.200 247 L C -0.026 176.422 176.870 -0.704 0.000 1.064 247 L CA 0.408 54.865 54.840 -0.638 0.000 0.821 247 L CB 0.090 41.549 42.059 -1.000 0.000 1.027 247 L HN 0.258 nan 8.230 nan 0.000 0.476 248 Y N -1.751 118.479 120.300 -0.117 0.000 2.553 248 Y HA 0.149 4.701 4.550 0.002 0.000 0.369 248 Y C 0.783 176.731 175.900 0.081 0.000 0.964 248 Y CA -1.013 57.089 58.100 0.004 0.000 1.156 248 Y CB -0.316 38.032 38.460 -0.186 0.000 1.218 248 Y HN -0.013 nan 8.280 nan 0.000 0.630 249 Y N 1.855 122.168 120.300 0.021 0.000 2.200 249 Y HA -0.287 4.265 4.550 0.002 0.000 0.290 249 Y C 2.346 178.268 175.900 0.037 0.000 1.137 249 Y CA 2.253 60.361 58.100 0.014 0.000 1.163 249 Y CB 0.237 38.654 38.460 -0.071 0.000 0.988 249 Y HN 0.542 nan 8.280 nan 0.000 0.518 250 Q N -1.662 118.212 119.800 0.124 0.000 2.181 250 Q HA -0.245 4.096 4.340 0.002 0.000 0.205 250 Q C 1.329 177.248 176.000 -0.135 0.000 0.980 250 Q CA 1.982 57.751 55.803 -0.057 0.000 0.862 250 Q CB -0.973 27.612 28.738 -0.255 0.000 0.905 250 Q HN 0.614 nan 8.270 nan 0.000 0.429 251 Y N 0.322 120.691 120.300 0.116 0.000 2.546 251 Y HA 0.161 4.712 4.550 0.002 0.000 0.287 251 Y C 0.706 176.672 175.900 0.111 0.000 1.158 251 Y CA 0.029 58.205 58.100 0.127 0.000 1.307 251 Y CB 0.315 38.883 38.460 0.179 0.000 1.036 251 Y HN 0.114 nan 8.280 nan 0.000 0.532 252 M N 2.695 122.392 119.600 0.161 0.000 2.108 252 M HA 0.104 4.586 4.480 0.002 0.000 0.347 252 M C 0.178 176.553 176.300 0.126 0.000 1.326 252 M CA -0.226 55.147 55.300 0.121 0.000 1.126 252 M CB -0.009 32.603 32.600 0.019 0.000 1.606 252 M HN 0.292 nan 8.290 nan 0.000 0.462 253 E N 1.304 121.612 120.200 0.182 0.000 2.349 253 E HA 0.116 4.467 4.350 0.002 0.000 0.262 253 E C 0.572 177.348 176.600 0.295 0.000 1.088 253 E CA -0.261 56.257 56.400 0.197 0.000 0.899 253 E CB 0.737 30.541 29.700 0.173 0.000 1.044 253 E HN 0.576 nan 8.360 nan 0.000 0.420 254 T N 0.533 115.249 114.554 0.269 0.000 2.849 254 T HA -0.259 4.092 4.350 0.002 0.000 0.270 254 T C 1.447 176.319 174.700 0.286 0.000 1.066 254 T CA 1.639 63.927 62.100 0.312 0.000 1.130 254 T CB -0.614 68.379 68.868 0.207 0.000 0.864 254 T HN 0.524 nan 8.240 nan 0.000 0.481 255 Y N 1.371 121.750 120.300 0.131 0.000 2.030 255 Y HA -0.242 4.309 4.550 0.002 0.000 0.272 255 Y C 2.163 178.117 175.900 0.091 0.000 1.185 255 Y CA 2.148 60.309 58.100 0.102 0.000 1.120 255 Y CB -0.271 38.248 38.460 0.099 0.000 0.955 255 Y HN 0.186 nan 8.280 nan 0.000 0.495 256 M N 0.106 119.878 119.600 0.286 0.000 2.557 256 M HA -0.035 4.446 4.480 0.002 0.000 0.259 256 M C 2.274 178.577 176.300 0.005 0.000 1.086 256 M CA 0.975 56.351 55.300 0.127 0.000 1.096 256 M CB -1.778 30.919 32.600 0.161 0.000 1.424 256 M HN 0.519 nan 8.290 nan 0.000 0.488 257 G N 2.295 111.128 108.800 0.055 0.000 2.586 257 G HA2 -0.230 3.732 3.960 0.002 0.000 0.218 257 G HA3 -0.230 3.732 3.960 0.002 0.000 0.218 257 G C -0.999 173.918 174.900 0.029 0.000 1.216 257 G CA 0.678 45.777 45.100 -0.002 0.000 0.786 257 G HN 0.341 nan 8.290 nan 0.000 0.583 258 P HA 0.079 nan 4.420 nan 0.000 0.219 258 P C 2.069 179.422 177.300 0.089 0.000 1.150 258 P CA 1.670 64.812 63.100 0.070 0.000 0.814 258 P CB -0.123 31.574 31.700 -0.005 0.000 0.787 259 A N -0.302 122.513 122.820 -0.007 0.000 1.877 259 A HA -0.157 4.165 4.320 0.002 0.000 0.216 259 A C 2.173 179.721 177.584 -0.060 0.000 1.186 259 A CA 1.487 53.497 52.037 -0.045 0.000 0.620 259 A CB -1.647 17.304 19.000 -0.082 0.000 0.822 259 A HN 0.121 nan 8.150 nan 0.000 0.443 260 L N -2.025 119.151 121.223 -0.077 0.000 2.156 260 L HA -0.091 4.250 4.340 0.002 0.000 0.208 260 L C 2.411 179.185 176.870 -0.159 0.000 1.095 260 L CA 1.283 56.006 54.840 -0.195 0.000 0.770 260 L CB -0.472 41.471 42.059 -0.194 0.000 0.914 260 L HN 0.536 nan 8.230 nan 0.000 0.439 261 F N 0.913 120.827 119.950 -0.061 0.000 2.095 261 F HA -0.261 4.267 4.527 0.002 0.000 0.298 261 F C 2.394 178.204 175.800 0.015 0.000 1.104 261 F CA 1.438 59.515 58.000 0.129 0.000 1.232 261 F CB -0.251 38.837 39.000 0.147 0.000 0.987 261 F HN -0.004 nan 8.300 nan 0.000 0.475 262 A N 0.662 123.444 122.820 -0.064 0.000 1.898 262 A HA -0.098 4.224 4.320 0.002 0.000 0.216 262 A C 2.271 179.715 177.584 -0.234 0.000 1.181 262 A CA 1.884 53.809 52.037 -0.187 0.000 0.620 262 A CB -1.150 17.829 19.000 -0.035 0.000 0.819 262 A HN 0.523 nan 8.150 nan 0.000 0.442 263 I N 0.123 120.567 120.570 -0.211 0.000 2.286 263 I HA -0.193 3.978 4.170 0.002 0.000 0.245 263 I C 2.812 178.776 176.117 -0.255 0.000 1.104 263 I CA 1.771 62.939 61.300 -0.219 0.000 1.397 263 I CB -0.484 37.383 38.000 -0.223 0.000 1.072 263 I HN 0.518 nan 8.210 nan 0.000 0.417 264 T N -0.840 113.514 114.554 -0.332 0.000 2.896 264 T HA -0.012 4.340 4.350 0.002 0.000 0.263 264 T C 1.958 176.591 174.700 -0.111 0.000 1.050 264 T CA 0.537 62.462 62.100 -0.291 0.000 1.140 264 T CB -0.266 68.270 68.868 -0.553 0.000 0.877 264 T HN 0.064 nan 8.240 nan 0.000 0.457 265 I N 1.650 122.099 120.570 -0.202 0.000 2.226 265 I HA -0.068 4.103 4.170 0.002 0.000 0.245 265 I C 2.673 178.672 176.117 -0.197 0.000 1.100 265 I CA 1.350 62.492 61.300 -0.264 0.000 1.374 265 I CB -0.813 36.801 38.000 -0.643 0.000 1.057 265 I HN 0.291 nan 8.210 nan 0.000 0.413 266 E N 0.813 120.893 120.200 -0.201 0.000 2.106 266 E HA -0.109 4.243 4.350 0.002 0.000 0.192 266 E C 2.294 178.831 176.600 -0.105 0.000 0.984 266 E CA 1.197 57.513 56.400 -0.140 0.000 0.806 266 E CB -0.186 29.434 29.700 -0.133 0.000 0.750 266 E HN 0.426 nan 8.360 nan 0.000 0.458 267 A N 1.016 123.771 122.820 -0.108 0.000 1.902 267 A HA -0.170 4.152 4.320 0.002 0.000 0.217 267 A C 2.293 179.844 177.584 -0.056 0.000 1.181 267 A CA 1.586 53.575 52.037 -0.080 0.000 0.623 267 A CB -0.512 18.435 19.000 -0.088 0.000 0.818 267 A HN 0.175 nan 8.150 nan 0.000 0.443 268 M N -0.737 118.835 119.600 -0.048 0.000 2.117 268 M HA -0.153 4.328 4.480 0.002 0.000 0.262 268 M C 1.699 177.967 176.300 -0.052 0.000 1.065 268 M CA 1.598 56.877 55.300 -0.034 0.000 1.114 268 M CB -0.203 32.385 32.600 -0.020 0.000 1.361 268 M HN 0.294 nan 8.290 nan 0.000 0.408 269 K N -0.607 119.755 120.400 -0.063 0.000 2.487 269 K HA 0.070 4.391 4.320 0.002 0.000 0.192 269 K C 0.726 177.296 176.600 -0.051 0.000 1.027 269 K CA -0.131 56.121 56.287 -0.058 0.000 1.054 269 K CB 0.035 32.499 32.500 -0.061 0.000 0.824 269 K HN 0.132 nan 8.250 nan 0.000 0.510 270 S N 1.828 117.497 115.700 -0.052 0.000 2.585 270 S HA -0.030 4.441 4.470 0.002 0.000 0.273 270 S C 0.785 175.360 174.600 -0.042 0.000 1.339 270 S CA -0.577 57.595 58.200 -0.046 0.000 1.028 270 S CB 0.740 63.913 63.200 -0.045 0.000 0.906 270 S HN 0.276 nan 8.310 nan 0.000 0.528 271 D N 2.639 123.016 120.400 -0.037 0.000 2.234 271 D HA -0.012 4.629 4.640 0.002 0.000 0.205 271 D C 0.336 176.616 176.300 -0.034 0.000 0.962 271 D CA 0.454 54.433 54.000 -0.035 0.000 0.855 271 D CB -0.580 40.203 40.800 -0.028 0.000 0.951 271 D HN 0.457 nan 8.370 nan 0.000 0.500 272 I N 2.221 122.772 120.570 -0.031 0.000 2.517 272 I HA -0.014 4.157 4.170 0.002 0.000 0.285 272 I C 1.046 177.144 176.117 -0.032 0.000 1.106 272 I CA -0.047 61.236 61.300 -0.028 0.000 1.402 272 I CB 0.804 38.790 38.000 -0.024 0.000 1.399 272 I HN -0.280 nan 8.210 nan 0.000 0.535 273 D N 4.004 124.384 120.400 -0.034 0.000 2.117 273 D HA -0.161 4.480 4.640 0.002 0.000 0.198 273 D C 1.886 178.166 176.300 -0.033 0.000 0.982 273 D CA 1.190 55.164 54.000 -0.043 0.000 0.828 273 D CB 0.067 40.838 40.800 -0.048 0.000 0.967 273 D HN 0.614 nan 8.370 nan 0.000 0.464 274 E N 0.724 120.913 120.200 -0.017 0.000 2.268 274 E HA -0.088 4.263 4.350 0.002 0.000 0.195 274 E C 2.149 178.747 176.600 -0.003 0.000 0.995 274 E CA 0.452 56.852 56.400 -0.001 0.000 0.836 274 E CB -0.404 29.300 29.700 0.006 0.000 0.763 274 E HN 0.190 nan 8.360 nan 0.000 0.491 275 V N 1.754 121.659 119.914 -0.016 0.000 2.407 275 V HA -0.084 4.037 4.120 0.002 0.000 0.245 275 V C 2.581 178.662 176.094 -0.022 0.000 1.041 275 V CA 1.480 63.768 62.300 -0.021 0.000 1.040 275 V CB -0.610 31.194 31.823 -0.031 0.000 0.671 275 V HN 0.359 nan 8.190 nan 0.000 0.455 276 A N -0.106 122.697 122.820 -0.028 0.000 1.933 276 A HA -0.145 4.176 4.320 0.002 0.000 0.218 276 A C 2.191 179.767 177.584 -0.014 0.000 1.175 276 A CA 1.635 53.653 52.037 -0.031 0.000 0.628 276 A CB -0.536 18.433 19.000 -0.051 0.000 0.814 276 A HN 0.487 nan 8.150 nan 0.000 0.444 277 L N -1.203 120.012 121.223 -0.012 0.000 2.131 277 L HA -0.216 4.125 4.340 0.002 0.000 0.210 277 L C 2.776 179.691 176.870 0.074 0.000 1.092 277 L CA 1.289 56.139 54.840 0.017 0.000 0.759 277 L CB -0.292 41.783 42.059 0.027 0.000 0.903 277 L HN 0.315 nan 8.230 nan 0.000 0.435 278 Q N -0.347 119.487 119.800 0.057 0.000 2.123 278 Q HA -0.060 4.281 4.340 0.002 0.000 0.199 278 Q C 2.226 178.277 176.000 0.086 0.000 0.966 278 Q CA 1.462 57.306 55.803 0.069 0.000 0.845 278 Q CB -0.617 28.140 28.738 0.032 0.000 0.907 278 Q HN 0.440 nan 8.270 nan 0.000 0.439 279 G N -0.045 108.789 108.800 0.057 0.000 2.408 279 G HA2 -0.183 3.778 3.960 0.002 0.000 0.217 279 G HA3 -0.183 3.778 3.960 0.002 0.000 0.217 279 G C 1.375 176.412 174.900 0.229 0.000 1.150 279 G CA 0.726 45.877 45.100 0.084 0.000 0.776 279 G HN 0.360 nan 8.290 nan 0.000 0.542 280 I N 0.171 120.848 120.570 0.177 0.000 2.333 280 I HA -0.022 4.149 4.170 0.002 0.000 0.246 280 I C 2.562 178.827 176.117 0.246 0.000 1.106 280 I CA 1.165 62.590 61.300 0.208 0.000 1.411 280 I CB -0.112 37.947 38.000 0.097 0.000 1.082 280 I HN 0.130 nan 8.210 nan 0.000 0.420 281 E N 1.316 121.639 120.200 0.206 0.000 2.110 281 E HA -0.269 4.083 4.350 0.002 0.000 0.193 281 E C 2.005 178.695 176.600 0.151 0.000 0.988 281 E CA 1.381 57.891 56.400 0.184 0.000 0.804 281 E CB -0.391 29.408 29.700 0.165 0.000 0.745 281 E HN 0.398 nan 8.360 nan 0.000 0.458 282 F N -0.835 119.111 119.950 -0.006 0.000 2.091 282 F HA -0.193 4.335 4.527 0.002 0.000 0.299 282 F C 1.571 177.255 175.800 -0.194 0.000 1.103 282 F CA 2.042 59.947 58.000 -0.159 0.000 1.228 282 F CB -0.399 38.423 39.000 -0.296 0.000 0.984 282 F HN 0.112 nan 8.300 nan 0.000 0.477 283 W N -0.083 121.349 121.300 0.220 0.000 2.476 283 W HA -0.059 4.603 4.660 0.002 0.000 0.281 283 W C 2.707 179.257 176.519 0.051 0.000 1.230 283 W CA 1.068 58.494 57.345 0.134 0.000 1.287 283 W CB -0.720 28.860 29.460 0.200 0.000 1.108 283 W HN -0.158 nan 8.180 nan 0.000 0.567 284 S N 0.151 116.001 115.700 0.250 0.000 2.383 284 S HA -0.220 4.251 4.470 0.002 0.000 0.229 284 S C 1.371 176.005 174.600 0.056 0.000 1.030 284 S CA 1.621 59.912 58.200 0.151 0.000 1.002 284 S CB -0.637 62.653 63.200 0.149 0.000 0.829 284 S HN 0.419 nan 8.310 nan 0.000 0.467 285 N N 0.472 119.156 118.700 -0.025 0.000 2.216 285 N HA -0.039 4.702 4.740 0.002 0.000 0.183 285 N C 1.613 177.042 175.510 -0.136 0.000 1.017 285 N CA 0.883 53.867 53.050 -0.110 0.000 0.861 285 N CB -0.079 38.301 38.487 -0.178 0.000 0.986 285 N HN 0.133 nan 8.380 nan 0.000 0.428 286 V N 0.948 120.760 119.914 -0.169 0.000 2.343 286 V HA -0.302 3.820 4.120 0.002 0.000 0.247 286 V C 2.407 178.531 176.094 0.051 0.000 1.051 286 V CA 1.354 63.624 62.300 -0.048 0.000 1.036 286 V CB -0.500 31.319 31.823 -0.007 0.000 0.654 286 V HN 0.495 nan 8.190 nan 0.000 0.451 287 C N -0.250 119.113 119.300 0.104 0.000 2.432 287 C HA -0.172 4.290 4.460 0.002 0.000 0.277 287 C C 2.573 177.559 174.990 -0.006 0.000 1.249 287 C CA 0.911 59.979 59.018 0.083 0.000 1.725 287 C CB -1.077 26.733 27.740 0.117 0.000 2.028 287 C HN 0.597 nan 8.230 nan 0.000 0.477 288 D N 0.468 120.851 120.400 -0.028 0.000 2.104 288 D HA -0.116 4.525 4.640 0.002 0.000 0.194 288 D C 2.197 178.421 176.300 -0.127 0.000 0.994 288 D CA 1.254 55.215 54.000 -0.065 0.000 0.830 288 D CB -0.415 40.346 40.800 -0.066 0.000 0.959 288 D HN 0.523 nan 8.370 nan 0.000 0.452 289 E N 0.700 120.788 120.200 -0.186 0.000 2.072 289 E HA -0.128 4.224 4.350 0.002 0.000 0.191 289 E C 1.985 178.333 176.600 -0.420 0.000 0.985 289 E CA 0.654 56.855 56.400 -0.331 0.000 0.801 289 E CB -0.190 29.243 29.700 -0.445 0.000 0.750 289 E HN 0.513 nan 8.360 nan 0.000 0.452 290 E N -0.129 119.863 120.200 -0.346 0.000 2.285 290 E HA 0.020 4.372 4.350 0.002 0.000 0.194 290 E C 2.046 178.526 176.600 -0.200 0.000 0.997 290 E CA 0.220 56.422 56.400 -0.331 0.000 0.845 290 E CB 0.032 29.599 29.700 -0.221 0.000 0.782 290 E HN 0.212 nan 8.360 nan 0.000 0.491 291 M N 0.687 120.211 119.600 -0.127 0.000 2.156 291 M HA -0.134 4.348 4.480 0.002 0.000 0.264 291 M C 1.392 177.640 176.300 -0.086 0.000 1.067 291 M CA 1.114 56.370 55.300 -0.073 0.000 1.131 291 M CB -0.015 32.562 32.600 -0.039 0.000 1.368 291 M HN -0.031 nan 8.290 nan 0.000 0.416 292 D N 0.688 121.018 120.400 -0.116 0.000 2.144 292 D HA -0.094 4.548 4.640 0.002 0.000 0.199 292 D C 2.035 178.267 176.300 -0.113 0.000 0.984 292 D CA 1.202 55.139 54.000 -0.106 0.000 0.834 292 D CB -0.266 40.460 40.800 -0.123 0.000 0.955 292 D HN 0.328 nan 8.370 nan 0.000 0.465 293 L N 0.563 121.682 121.223 -0.172 0.000 2.109 293 L HA -0.071 4.270 4.340 0.002 0.000 0.207 293 L C 2.494 179.297 176.870 -0.112 0.000 1.086 293 L CA 0.853 55.593 54.840 -0.167 0.000 0.760 293 L CB -0.287 41.600 42.059 -0.287 0.000 0.910 293 L HN -0.039 nan 8.230 nan 0.000 0.437 294 A N 0.356 123.115 122.820 -0.102 0.000 1.902 294 A HA -0.184 4.137 4.320 0.002 0.000 0.217 294 A C 2.202 179.782 177.584 -0.008 0.000 1.181 294 A CA 1.532 53.553 52.037 -0.027 0.000 0.623 294 A CB -0.636 18.364 19.000 0.000 0.000 0.818 294 A HN 0.344 nan 8.150 nan 0.000 0.443 295 I N -0.753 119.803 120.570 -0.022 0.000 2.226 295 I HA -0.219 3.953 4.170 0.002 0.000 0.245 295 I C 2.625 178.736 176.117 -0.010 0.000 1.100 295 I CA 1.421 62.714 61.300 -0.012 0.000 1.374 295 I CB -0.298 37.691 38.000 -0.019 0.000 1.057 295 I HN 0.355 nan 8.210 nan 0.000 0.413 296 E N 1.140 121.328 120.200 -0.020 0.000 2.085 296 E HA -0.243 4.108 4.350 0.002 0.000 0.194 296 E C 2.251 178.851 176.600 -0.001 0.000 0.994 296 E CA 1.664 58.059 56.400 -0.010 0.000 0.801 296 E CB -0.003 29.692 29.700 -0.009 0.000 0.743 296 E HN 0.497 nan 8.360 nan 0.000 0.453 297 A N 0.203 123.025 122.820 0.003 0.000 1.968 297 A HA -0.073 4.249 4.320 0.002 0.000 0.217 297 A C 2.427 180.025 177.584 0.024 0.000 1.169 297 A CA 1.441 53.490 52.037 0.021 0.000 0.638 297 A CB -0.269 18.757 19.000 0.044 0.000 0.812 297 A HN 0.191 nan 8.150 nan 0.000 0.446 298 S N -0.140 115.573 115.700 0.021 0.000 2.383 298 S HA -0.137 4.335 4.470 0.002 0.000 0.227 298 S C 1.775 176.384 174.600 0.014 0.000 1.026 298 S CA 1.499 59.712 58.200 0.021 0.000 0.981 298 S CB -0.219 62.993 63.200 0.020 0.000 0.818 298 S HN 0.717 nan 8.310 nan 0.000 0.472 299 E N 1.066 121.271 120.200 0.009 0.000 2.216 299 E HA 0.075 4.426 4.350 0.002 0.000 0.192 299 E C 2.243 178.846 176.600 0.005 0.000 0.988 299 E CA 0.662 57.066 56.400 0.007 0.000 0.834 299 E CB -0.160 29.542 29.700 0.004 0.000 0.772 299 E HN 0.488 nan 8.360 nan 0.000 0.479 300 A N 1.418 124.241 122.820 0.005 0.000 1.930 300 A HA -0.065 4.256 4.320 0.002 0.000 0.217 300 A C 2.343 179.931 177.584 0.006 0.000 1.175 300 A CA 1.495 53.534 52.037 0.003 0.000 0.627 300 A CB -0.449 18.551 19.000 0.001 0.000 0.815 300 A HN 0.282 nan 8.150 nan 0.000 0.443 301 A N -0.139 122.688 122.820 0.011 0.000 1.873 301 A HA -0.141 4.180 4.320 0.002 0.000 0.215 301 A C 1.903 179.493 177.584 0.010 0.000 1.186 301 A CA 1.594 53.638 52.037 0.013 0.000 0.616 301 A CB -0.533 18.477 19.000 0.018 0.000 0.823 301 A HN 0.598 nan 8.150 nan 0.000 0.442 302 E N -0.376 119.829 120.200 0.010 0.000 2.085 302 E HA -0.250 4.101 4.350 0.002 0.000 0.194 302 E C 2.197 178.801 176.600 0.006 0.000 0.994 302 E CA 1.634 58.039 56.400 0.008 0.000 0.801 302 E CB -0.174 29.531 29.700 0.008 0.000 0.743 302 E HN 0.741 nan 8.360 nan 0.000 0.453 303 Q N -0.915 118.888 119.800 0.005 0.000 2.378 303 Q HA 0.048 4.390 4.340 0.002 0.000 0.205 303 Q C 0.687 176.689 176.000 0.003 0.000 0.954 303 Q CA 0.510 56.315 55.803 0.003 0.000 0.901 303 Q CB 0.662 29.401 28.738 0.002 0.000 0.981 303 Q HN 0.358 nan 8.270 nan 0.000 0.483 304 G N 1.498 110.300 108.800 0.003 0.000 2.341 304 G HA2 -0.210 3.752 3.960 0.002 0.000 0.278 304 G HA3 -0.210 3.752 3.960 0.002 0.000 0.278 304 G C -0.585 174.315 174.900 0.001 0.000 1.111 304 G CA -0.262 44.840 45.100 0.003 0.000 0.982 304 G HN -0.008 nan 8.290 nan 0.000 0.502 305 R N -0.720 119.780 120.500 -0.000 0.000 2.795 305 R HA 0.558 4.900 4.340 0.002 0.000 0.275 305 R C -2.870 173.427 176.300 -0.005 0.000 0.981 305 R CA -2.023 54.074 56.100 -0.005 0.000 0.917 305 R CB 1.544 31.839 30.300 -0.008 0.000 1.202 305 R HN 0.110 nan 8.270 nan 0.000 0.469 306 P HA 0.194 nan 4.420 nan 0.000 0.276 306 P C -2.262 175.025 177.300 -0.023 0.000 1.230 306 P CA -1.161 61.932 63.100 -0.011 0.000 0.776 306 P CB -0.052 31.639 31.700 -0.015 0.000 0.888 307 P HA 0.008 nan 4.420 nan 0.000 0.266 307 P C 0.766 178.021 177.300 -0.075 0.000 1.195 307 P CA 0.164 63.248 63.100 -0.027 0.000 0.768 307 P CB 1.069 32.768 31.700 -0.002 0.000 0.838 308 E N 1.491 121.617 120.200 -0.123 0.000 2.110 308 E HA -0.179 4.173 4.350 0.002 0.000 0.193 308 E C -0.196 176.074 176.600 -0.549 0.000 0.988 308 E CA 1.097 57.312 56.400 -0.309 0.000 0.804 308 E CB 0.068 29.583 29.700 -0.309 0.000 0.745 308 E HN 0.626 nan 8.360 nan 0.000 0.458 309 H N -1.288 117.765 119.070 -0.029 0.000 2.717 309 H HA 0.278 4.835 4.556 0.002 0.000 0.366 309 H C -0.978 174.330 175.328 -0.034 0.000 1.132 309 H CA -0.645 55.384 56.048 -0.032 0.000 1.180 309 H CB 1.985 31.721 29.762 -0.043 0.000 1.678 309 H HN -0.082 nan 8.280 nan 0.000 0.537 310 T N -0.402 114.210 114.554 0.096 0.000 2.794 310 T HA 0.369 4.720 4.350 0.002 0.000 0.280 310 T C 0.395 175.102 174.700 0.011 0.000 0.987 310 T CA -1.042 61.086 62.100 0.046 0.000 0.993 310 T CB 1.514 70.421 68.868 0.064 0.000 0.939 310 T HN 0.515 nan 8.240 nan 0.000 0.449 311 S N 1.490 117.105 115.700 -0.142 0.000 2.568 311 S HA 0.146 4.617 4.470 0.002 0.000 0.282 311 S C 0.983 175.411 174.600 -0.286 0.000 1.338 311 S CA -0.478 57.493 58.200 -0.381 0.000 1.045 311 S CB 0.218 62.836 63.200 -0.970 0.000 0.873 311 S HN 0.749 nan 8.310 nan 0.000 0.516 312 K N 2.942 123.216 120.400 -0.209 0.000 2.358 312 K HA 0.144 4.466 4.320 0.002 0.000 0.197 312 K C -0.487 176.053 176.600 -0.101 0.000 1.025 312 K CA 0.013 56.182 56.287 -0.197 0.000 1.104 312 K CB -0.022 32.162 32.500 -0.527 0.000 0.855 312 K HN 0.766 nan 8.250 nan 0.000 0.531 313 F N -0.032 119.866 119.950 -0.086 0.000 3.039 313 F HA -0.268 4.260 4.527 0.002 0.000 0.287 313 F C 0.474 176.348 175.800 0.123 0.000 0.956 313 F CA -0.050 57.967 58.000 0.028 0.000 0.971 313 F CB -2.679 36.337 39.000 0.026 0.000 0.943 313 F HN 0.125 nan 8.300 nan 0.000 0.766 314 Y N -0.493 120.041 120.300 0.390 0.000 2.224 314 Y HA -0.151 4.401 4.550 0.002 0.000 0.289 314 Y C 2.309 178.529 175.900 0.533 0.000 1.146 314 Y CA 1.280 59.667 58.100 0.478 0.000 1.182 314 Y CB -0.931 37.848 38.460 0.532 0.000 0.983 314 Y HN 0.382 nan 8.280 nan 0.000 0.524 315 A N 0.092 123.294 122.820 0.637 0.000 1.902 315 A HA -0.210 4.111 4.320 0.002 0.000 0.217 315 A C 2.288 179.981 177.584 0.182 0.000 1.181 315 A CA 1.784 54.051 52.037 0.383 0.000 0.623 315 A CB -0.580 18.623 19.000 0.339 0.000 0.818 315 A HN 0.375 nan 8.150 nan 0.000 0.443 316 K N -1.055 119.486 120.400 0.234 0.000 2.063 316 K HA -0.132 4.189 4.320 0.002 0.000 0.208 316 K C 1.983 178.636 176.600 0.087 0.000 1.048 316 K CA 1.211 57.588 56.287 0.151 0.000 0.928 316 K CB -0.391 32.228 32.500 0.198 0.000 0.713 316 K HN 0.491 nan 8.250 nan 0.000 0.442 317 G N -0.211 108.679 108.800 0.150 0.000 2.511 317 G HA2 -0.096 3.866 3.960 0.002 0.000 0.217 317 G HA3 -0.096 3.866 3.960 0.002 0.000 0.217 317 G C 1.223 176.166 174.900 0.072 0.000 1.133 317 G CA 0.688 45.852 45.100 0.107 0.000 0.792 317 G HN 0.334 nan 8.290 nan 0.000 0.539 318 A N -0.228 122.625 122.820 0.055 0.000 2.303 318 A HA 0.449 4.771 4.320 0.002 0.000 0.217 318 A C 1.950 179.495 177.584 -0.065 0.000 1.205 318 A CA 0.105 52.188 52.037 0.077 0.000 0.875 318 A CB -0.020 18.875 19.000 -0.175 0.000 0.910 318 A HN 0.266 nan 8.150 nan 0.000 0.501 319 L N 0.197 121.313 121.223 -0.178 0.000 2.043 319 L HA -0.261 4.080 4.340 0.002 0.000 0.212 319 L C 2.390 178.957 176.870 -0.504 0.000 1.075 319 L CA 2.275 56.935 54.840 -0.301 0.000 0.752 319 L CB -0.539 41.359 42.059 -0.268 0.000 0.891 319 L HN 0.520 nan 8.230 nan 0.000 0.432 320 Q N -1.612 117.815 119.800 -0.621 0.000 2.096 320 Q HA -0.273 4.069 4.340 0.002 0.000 0.208 320 Q C 1.950 177.635 176.000 -0.525 0.000 0.993 320 Q CA 2.662 58.028 55.803 -0.728 0.000 0.862 320 Q CB -0.327 27.833 28.738 -0.963 0.000 0.915 320 Q HN 0.675 nan 8.270 nan 0.000 0.416 321 Y N -1.065 119.190 120.300 -0.075 0.000 2.503 321 Y HA 0.062 4.614 4.550 0.002 0.000 0.277 321 Y C 1.890 177.732 175.900 -0.096 0.000 1.102 321 Y CA -0.054 58.039 58.100 -0.013 0.000 1.261 321 Y CB 0.063 38.612 38.460 0.148 0.000 1.096 321 Y HN -0.011 nan 8.280 nan 0.000 0.546 322 L N -0.711 120.485 121.223 -0.044 0.000 2.027 322 L HA -0.178 4.163 4.340 0.002 0.000 0.206 322 L C 2.235 179.027 176.870 -0.129 0.000 1.074 322 L CA 0.875 55.621 54.840 -0.157 0.000 0.745 322 L CB -0.579 41.305 42.059 -0.291 0.000 0.898 322 L HN 0.088 nan 8.230 nan 0.000 0.433 323 V N 0.013 119.845 119.914 -0.138 0.000 2.295 323 V HA -0.170 3.951 4.120 0.002 0.000 0.246 323 V C -0.254 175.758 176.094 -0.137 0.000 1.049 323 V CA 1.951 64.179 62.300 -0.120 0.000 1.024 323 V CB -1.664 30.110 31.823 -0.081 0.000 0.648 323 V HN 0.334 nan 8.190 nan 0.000 0.447 324 P HA -0.132 nan 4.420 nan 0.000 0.216 324 P C 1.761 178.992 177.300 -0.116 0.000 1.150 324 P CA 1.567 64.617 63.100 -0.085 0.000 0.837 324 P CB -0.030 31.669 31.700 -0.001 0.000 0.786 325 I N -1.559 118.956 120.570 -0.091 0.000 2.202 325 I HA -0.197 3.974 4.170 0.002 0.000 0.242 325 I C 2.303 178.340 176.117 -0.134 0.000 1.091 325 I CA 1.245 62.489 61.300 -0.093 0.000 1.368 325 I CB -0.637 37.321 38.000 -0.071 0.000 1.058 325 I HN -0.135 nan 8.210 nan 0.000 0.410 326 L N 0.292 121.429 121.223 -0.143 0.000 2.083 326 L HA -0.191 4.150 4.340 0.002 0.000 0.209 326 L C 2.829 179.562 176.870 -0.227 0.000 1.083 326 L CA 1.922 56.673 54.840 -0.149 0.000 0.752 326 L CB -1.126 40.867 42.059 -0.108 0.000 0.899 326 L HN 0.439 nan 8.230 nan 0.000 0.433 327 T N -3.536 110.800 114.554 -0.364 0.000 2.788 327 T HA -0.260 4.092 4.350 0.002 0.000 0.268 327 T C 1.805 176.178 174.700 -0.545 0.000 1.044 327 T CA 1.201 62.888 62.100 -0.689 0.000 1.139 327 T CB -0.216 67.782 68.868 -1.449 0.000 0.867 327 T HN 0.125 nan 8.240 nan 0.000 0.454 328 Q N 1.083 120.678 119.800 -0.342 0.000 2.187 328 Q HA 0.053 4.394 4.340 0.002 0.000 0.199 328 Q C 2.272 178.155 176.000 -0.196 0.000 0.957 328 Q CA 1.481 57.167 55.803 -0.195 0.000 0.857 328 Q CB -0.750 27.930 28.738 -0.098 0.000 0.929 328 Q HN 0.620 nan 8.270 nan 0.000 0.453 329 T N 0.329 114.774 114.554 -0.181 0.000 2.995 329 T HA 0.005 4.357 4.350 0.002 0.000 0.269 329 T C 1.428 176.023 174.700 -0.175 0.000 1.091 329 T CA 0.521 62.524 62.100 -0.162 0.000 1.128 329 T CB -0.042 68.743 68.868 -0.137 0.000 0.891 329 T HN 0.225 nan 8.240 nan 0.000 0.492 330 L N 1.209 122.323 121.223 -0.182 0.000 2.362 330 L HA -0.043 4.299 4.340 0.002 0.000 0.219 330 L C 2.322 179.082 176.870 -0.184 0.000 1.134 330 L CA 0.867 55.617 54.840 -0.150 0.000 0.807 330 L CB -0.710 41.288 42.059 -0.102 0.000 0.927 330 L HN 0.289 nan 8.230 nan 0.000 0.447 331 T N -1.600 112.789 114.554 -0.274 0.000 3.081 331 T HA 0.017 4.368 4.350 0.002 0.000 0.255 331 T C 0.973 175.471 174.700 -0.337 0.000 1.113 331 T CA 0.408 62.256 62.100 -0.420 0.000 1.082 331 T CB 0.030 68.483 68.868 -0.691 0.000 0.939 331 T HN 0.126 nan 8.240 nan 0.000 0.506 332 K N 2.679 122.942 120.400 -0.229 0.000 3.127 332 K HA 0.308 4.629 4.320 0.002 0.000 0.236 332 K C -0.284 176.245 176.600 -0.119 0.000 1.271 332 K CA -0.093 56.093 56.287 -0.168 0.000 1.224 332 K CB 0.180 32.597 32.500 -0.139 0.000 1.482 332 K HN 0.408 nan 8.250 nan 0.000 0.435 333 Q N 0.734 120.476 119.800 -0.096 0.000 2.373 333 Q HA 0.066 4.407 4.340 0.002 0.000 0.255 333 Q C -0.081 175.953 176.000 0.056 0.000 0.980 333 Q CA -0.012 55.793 55.803 0.003 0.000 0.882 333 Q CB 0.647 29.457 28.738 0.120 0.000 1.249 333 Q HN 0.066 nan 8.270 nan 0.000 0.438 334 D N 1.831 122.258 120.400 0.044 0.000 2.383 334 D HA -0.048 4.593 4.640 0.002 0.000 0.245 334 D C 0.537 176.898 176.300 0.102 0.000 1.263 334 D CA 0.209 54.240 54.000 0.052 0.000 0.936 334 D CB 0.428 41.239 40.800 0.018 0.000 1.053 334 D HN 0.668 nan 8.370 nan 0.000 0.507 335 E N 2.744 123.038 120.200 0.157 0.000 2.114 335 E HA -0.236 4.115 4.350 0.002 0.000 0.199 335 E C 0.535 177.169 176.600 0.056 0.000 1.008 335 E CA 0.688 57.193 56.400 0.175 0.000 0.810 335 E CB 0.162 29.995 29.700 0.223 0.000 0.739 335 E HN 0.286 nan 8.360 nan 0.000 0.456 336 N N 2.078 120.805 118.700 0.045 0.000 2.549 336 N HA -0.016 4.726 4.740 0.002 0.000 0.267 336 N C -1.512 174.008 175.510 0.017 0.000 1.182 336 N CA 0.082 53.144 53.050 0.019 0.000 1.019 336 N CB 0.041 38.539 38.487 0.019 0.000 1.380 336 N HN 0.075 nan 8.380 nan 0.000 0.505 337 D N 1.286 121.690 120.400 0.006 0.000 2.414 337 D HA 0.136 4.777 4.640 0.002 0.000 0.242 337 D C -0.684 175.621 176.300 0.010 0.000 1.129 337 D CA 0.834 54.838 54.000 0.008 0.000 0.885 337 D CB 0.637 41.433 40.800 -0.006 0.000 1.198 337 D HN 0.488 nan 8.370 nan 0.000 0.437 338 D N -0.783 119.626 120.400 0.016 0.000 2.878 338 D HA 0.169 4.811 4.640 0.002 0.000 0.211 338 D C -0.664 175.655 176.300 0.032 0.000 1.271 338 D CA -0.778 53.235 54.000 0.022 0.000 0.845 338 D CB 0.932 41.746 40.800 0.024 0.000 1.679 338 D HN 0.241 nan 8.370 nan 0.000 0.536 339 D N 0.576 120.996 120.400 0.033 0.000 2.249 339 D HA -0.075 4.566 4.640 0.002 0.000 0.205 339 D C 0.637 176.974 176.300 0.061 0.000 0.962 339 D CA 0.485 54.511 54.000 0.043 0.000 0.860 339 D CB 0.010 40.830 40.800 0.033 0.000 0.955 339 D HN 0.324 nan 8.370 nan 0.000 0.505 340 D N 0.060 120.491 120.400 0.052 0.000 2.183 340 D HA -0.032 4.610 4.640 0.002 0.000 0.203 340 D C -0.056 176.298 176.300 0.091 0.000 0.969 340 D CA 0.776 54.810 54.000 0.056 0.000 0.842 340 D CB -0.142 40.681 40.800 0.038 0.000 0.957 340 D HN 0.170 nan 8.370 nan 0.000 0.484 341 D N -0.385 120.070 120.400 0.091 0.000 2.390 341 D HA 0.021 4.662 4.640 0.002 0.000 0.249 341 D C -0.965 175.447 176.300 0.188 0.000 1.144 341 D CA -0.165 53.901 54.000 0.110 0.000 0.880 341 D CB 0.453 41.289 40.800 0.060 0.000 1.182 341 D HN 0.100 nan 8.370 nan 0.000 0.451 342 W N 5.673 126.966 121.300 -0.012 0.000 2.362 342 W HA 0.310 4.971 4.660 0.002 0.000 0.316 342 W C -1.227 175.285 176.519 -0.012 0.000 1.024 342 W CA -0.797 56.539 57.345 -0.015 0.000 1.270 342 W CB 0.502 29.954 29.460 -0.014 0.000 1.273 342 W HN 0.538 nan 8.180 nan 0.000 0.424 343 N N 4.294 122.693 118.700 -0.502 0.000 2.469 343 N HA 0.544 5.285 4.740 0.002 0.000 0.286 343 N C -2.439 172.728 175.510 -0.572 0.000 1.275 343 N CA -1.571 51.231 53.050 -0.415 0.000 0.790 343 N CB 2.394 40.756 38.487 -0.208 0.000 1.446 343 N HN -0.071 nan 8.380 nan 0.000 0.501 344 P HA -0.213 nan 4.420 nan 0.000 0.217 344 P C 1.138 178.260 177.300 -0.297 0.000 1.148 344 P CA 0.854 63.777 63.100 -0.294 0.000 0.834 344 P CB -0.056 31.538 31.700 -0.176 0.000 0.783 345 C N -0.082 119.054 119.300 -0.273 0.000 2.432 345 C HA -0.107 4.354 4.460 0.002 0.000 0.277 345 C C 2.400 177.234 174.990 -0.260 0.000 1.249 345 C CA 1.155 60.039 59.018 -0.224 0.000 1.725 345 C CB -1.491 26.148 27.740 -0.170 0.000 2.028 345 C HN 0.154 nan 8.230 nan 0.000 0.477 346 K N 0.658 120.829 120.400 -0.383 0.000 2.057 346 K HA -0.016 4.305 4.320 0.002 0.000 0.206 346 K C 2.350 178.677 176.600 -0.456 0.000 1.050 346 K CA 1.420 57.465 56.287 -0.404 0.000 0.935 346 K CB -0.367 31.857 32.500 -0.461 0.000 0.715 346 K HN 0.557 nan 8.250 nan 0.000 0.439 347 A N 1.701 124.076 122.820 -0.741 0.000 1.933 347 A HA -0.145 4.176 4.320 0.002 0.000 0.218 347 A C 2.381 179.908 177.584 -0.095 0.000 1.175 347 A CA 1.877 53.692 52.037 -0.369 0.000 0.628 347 A CB -0.667 18.121 19.000 -0.353 0.000 0.814 347 A HN 0.335 nan 8.150 nan 0.000 0.444 348 A N -0.446 122.290 122.820 -0.140 0.000 1.902 348 A HA 0.102 4.424 4.320 0.002 0.000 0.217 348 A C 2.425 179.988 177.584 -0.036 0.000 1.181 348 A CA 1.977 53.968 52.037 -0.075 0.000 0.623 348 A CB -1.408 17.525 19.000 -0.112 0.000 0.818 348 A HN 0.735 nan 8.150 nan 0.000 0.443 349 G N -0.563 108.206 108.800 -0.051 0.000 2.418 349 G HA2 -0.125 3.836 3.960 0.002 0.000 0.217 349 G HA3 -0.125 3.836 3.960 0.002 0.000 0.217 349 G C 1.496 176.430 174.900 0.058 0.000 1.158 349 G CA 1.298 46.394 45.100 -0.006 0.000 0.771 349 G HN 0.340 nan 8.290 nan 0.000 0.545 350 V N 0.018 119.982 119.914 0.082 0.000 2.427 350 V HA -0.187 3.934 4.120 0.002 0.000 0.248 350 V C 2.911 179.082 176.094 0.129 0.000 1.051 350 V CA 1.580 63.966 62.300 0.143 0.000 1.048 350 V CB -0.608 31.360 31.823 0.243 0.000 0.666 350 V HN 0.558 nan 8.190 nan 0.000 0.456 351 C N -0.403 118.964 119.300 0.111 0.000 2.453 351 C HA -0.100 4.361 4.460 0.002 0.000 0.277 351 C C 2.646 177.690 174.990 0.090 0.000 1.262 351 C CA 1.019 60.105 59.018 0.113 0.000 1.718 351 C CB -1.009 26.795 27.740 0.107 0.000 2.031 351 C HN 0.564 nan 8.230 nan 0.000 0.480 352 L N -0.052 121.210 121.223 0.064 0.000 2.079 352 L HA -0.208 4.134 4.340 0.002 0.000 0.210 352 L C 2.663 179.584 176.870 0.084 0.000 1.081 352 L CA 1.822 56.696 54.840 0.057 0.000 0.752 352 L CB -0.479 41.606 42.059 0.044 0.000 0.896 352 L HN 0.466 nan 8.230 nan 0.000 0.433 353 M N -0.739 118.927 119.600 0.110 0.000 2.132 353 M HA -0.228 4.253 4.480 0.002 0.000 0.263 353 M C 2.122 178.482 176.300 0.101 0.000 1.065 353 M CA 1.761 57.136 55.300 0.125 0.000 1.122 353 M CB 0.031 32.731 32.600 0.166 0.000 1.365 353 M HN 0.191 nan 8.290 nan 0.000 0.411 354 L N -0.470 120.813 121.223 0.100 0.000 2.217 354 L HA -0.157 4.185 4.340 0.002 0.000 0.211 354 L C 2.143 179.066 176.870 0.088 0.000 1.107 354 L CA 0.617 55.511 54.840 0.089 0.000 0.783 354 L CB -0.411 41.704 42.059 0.094 0.000 0.919 354 L HN 0.354 nan 8.230 nan 0.000 0.442 355 L N -0.596 120.680 121.223 0.088 0.000 2.109 355 L HA -0.136 4.206 4.340 0.002 0.000 0.207 355 L C 2.811 179.723 176.870 0.069 0.000 1.086 355 L CA 0.943 55.830 54.840 0.078 0.000 0.760 355 L CB -0.496 41.594 42.059 0.052 0.000 0.910 355 L HN 0.237 nan 8.230 nan 0.000 0.437 356 A N 0.036 122.896 122.820 0.067 0.000 1.898 356 A HA -0.199 4.122 4.320 0.002 0.000 0.216 356 A C 2.386 180.004 177.584 0.057 0.000 1.181 356 A CA 2.146 54.220 52.037 0.061 0.000 0.620 356 A CB -0.874 18.160 19.000 0.058 0.000 0.819 356 A HN 0.497 nan 8.150 nan 0.000 0.442 357 T N -3.724 110.864 114.554 0.058 0.000 2.985 357 T HA -0.132 4.219 4.350 0.002 0.000 0.266 357 T C 1.891 176.623 174.700 0.052 0.000 1.076 357 T CA 1.238 63.368 62.100 0.050 0.000 1.135 357 T CB -0.938 67.958 68.868 0.047 0.000 0.890 357 T HN 0.445 nan 8.240 nan 0.000 0.480 358 C N 0.380 119.718 119.300 0.062 0.000 2.522 358 C HA 0.189 4.651 4.460 0.002 0.000 0.280 358 C C 2.710 177.755 174.990 0.093 0.000 1.303 358 C CA 0.311 59.370 59.018 0.069 0.000 1.709 358 C CB -1.239 26.550 27.740 0.081 0.000 2.071 358 C HN 0.743 nan 8.230 nan 0.000 0.492 359 C N 0.461 119.816 119.300 0.092 0.000 2.926 359 C HA 0.257 4.718 4.460 0.002 0.000 0.272 359 C C 1.094 176.133 174.990 0.082 0.000 1.249 359 C CA -0.162 58.916 59.018 0.100 0.000 1.691 359 C CB -1.731 26.062 27.740 0.089 0.000 1.983 359 C HN 0.786 nan 8.230 nan 0.000 0.615 360 E N 0.797 121.039 120.200 0.069 0.000 3.289 360 E HA -0.326 4.026 4.350 0.002 0.000 0.386 360 E C 0.224 176.857 176.600 0.056 0.000 1.526 360 E CA 1.684 58.118 56.400 0.056 0.000 1.519 360 E CB -1.225 28.506 29.700 0.052 0.000 1.657 360 E HN 0.423 nan 8.360 nan 0.000 0.479 361 D N 0.837 121.267 120.400 0.049 0.000 2.263 361 D HA -0.101 4.540 4.640 0.002 0.000 0.208 361 D C 1.309 177.646 176.300 0.060 0.000 0.971 361 D CA 1.133 55.161 54.000 0.047 0.000 0.867 361 D CB -0.346 40.474 40.800 0.034 0.000 0.929 361 D HN 0.217 nan 8.370 nan 0.000 0.492 362 D N 0.897 121.340 120.400 0.072 0.000 2.149 362 D HA -0.125 4.516 4.640 0.002 0.000 0.198 362 D C 2.090 178.496 176.300 0.176 0.000 0.990 362 D CA 0.238 54.300 54.000 0.104 0.000 0.839 362 D CB -0.213 40.643 40.800 0.092 0.000 0.948 362 D HN 0.298 nan 8.370 nan 0.000 0.460 363 I N 0.299 120.954 120.570 0.141 0.000 2.493 363 I HA -0.208 3.963 4.170 0.002 0.000 0.254 363 I C 1.902 178.124 176.117 0.174 0.000 1.160 363 I CA 0.444 61.843 61.300 0.166 0.000 1.445 363 I CB 0.228 38.285 38.000 0.095 0.000 1.086 363 I HN -0.170 nan 8.210 nan 0.000 0.433 364 V N 2.897 122.880 119.914 0.114 0.000 2.231 364 V HA -0.199 3.922 4.120 0.002 0.000 0.248 364 V C -0.379 175.750 176.094 0.059 0.000 1.054 364 V CA 2.403 64.756 62.300 0.089 0.000 1.015 364 V CB -2.385 29.479 31.823 0.068 0.000 0.638 364 V HN 0.406 nan 8.190 nan 0.000 0.444 365 P HA -0.156 nan 4.420 nan 0.000 0.223 365 P C 0.939 178.130 177.300 -0.181 0.000 1.144 365 P CA 1.643 64.666 63.100 -0.129 0.000 0.783 365 P CB -0.178 31.379 31.700 -0.238 0.000 0.771 366 H N -1.527 117.559 119.070 0.027 0.000 2.497 366 H HA 0.065 4.622 4.556 0.002 0.000 0.282 366 H C 1.786 177.142 175.328 0.047 0.000 1.003 366 H CA 0.572 56.630 56.048 0.017 0.000 1.307 366 H CB 0.098 29.849 29.762 -0.018 0.000 1.437 366 H HN -0.069 nan 8.280 nan 0.000 0.544 367 V N -0.100 119.921 119.914 0.178 0.000 3.085 367 V HA -0.041 4.081 4.120 0.002 0.000 0.245 367 V C 2.202 178.434 176.094 0.229 0.000 1.114 367 V CA 0.410 62.818 62.300 0.180 0.000 1.108 367 V CB -0.107 31.813 31.823 0.161 0.000 0.798 367 V HN 0.310 nan 8.190 nan 0.000 0.471 368 L N 0.638 121.966 121.223 0.175 0.000 2.012 368 L HA -0.103 4.238 4.340 0.002 0.000 0.210 368 L C -0.131 176.817 176.870 0.130 0.000 1.073 368 L CA 2.178 57.108 54.840 0.150 0.000 0.748 368 L CB -1.096 41.022 42.059 0.099 0.000 0.891 368 L HN 0.363 nan 8.230 nan 0.000 0.431 369 P HA -0.204 nan 4.420 nan 0.000 0.220 369 P C 1.361 178.759 177.300 0.163 0.000 1.148 369 P CA 1.253 64.413 63.100 0.101 0.000 0.803 369 P CB -0.078 31.673 31.700 0.085 0.000 0.782 370 F N 0.213 120.233 119.950 0.117 0.000 2.113 370 F HA -0.134 4.394 4.527 0.002 0.000 0.297 370 F C 2.010 177.949 175.800 0.230 0.000 1.103 370 F CA 1.381 59.510 58.000 0.215 0.000 1.248 370 F CB -0.644 38.453 39.000 0.162 0.000 0.999 370 F HN -0.267 nan 8.300 nan 0.000 0.475 371 I N 0.609 121.351 120.570 0.286 0.000 2.099 371 I HA -0.354 3.817 4.170 0.002 0.000 0.239 371 I C 2.363 178.465 176.117 -0.025 0.000 1.066 371 I CA 1.762 63.145 61.300 0.137 0.000 1.324 371 I CB -0.597 37.495 38.000 0.153 0.000 1.037 371 I HN 0.056 nan 8.210 nan 0.000 0.401 372 K N 0.105 120.482 120.400 -0.038 0.000 2.209 372 K HA -0.213 4.109 4.320 0.002 0.000 0.204 372 K C 2.078 178.597 176.600 -0.135 0.000 1.048 372 K CA 1.223 57.455 56.287 -0.092 0.000 0.940 372 K CB -0.098 32.360 32.500 -0.070 0.000 0.729 372 K HN 0.355 nan 8.250 nan 0.000 0.451 373 E N -0.397 119.694 120.200 -0.181 0.000 2.230 373 E HA -0.090 4.261 4.350 0.002 0.000 0.192 373 E C 1.080 177.361 176.600 -0.531 0.000 0.987 373 E CA 0.622 56.810 56.400 -0.353 0.000 0.841 373 E CB 0.371 29.816 29.700 -0.424 0.000 0.783 373 E HN 0.420 nan 8.360 nan 0.000 0.481 374 H N -0.898 118.001 119.070 -0.285 0.000 2.755 374 H HA 0.080 4.638 4.556 0.002 0.000 0.273 374 H C 1.624 176.863 175.328 -0.148 0.000 1.055 374 H CA -0.098 55.784 56.048 -0.277 0.000 1.191 374 H CB 0.709 30.178 29.762 -0.488 0.000 1.536 374 H HN 0.148 nan 8.280 nan 0.000 0.529 375 I N 1.091 121.632 120.570 -0.048 0.000 2.567 375 I HA -0.170 4.002 4.170 0.002 0.000 0.257 375 I C 0.930 177.037 176.117 -0.017 0.000 1.184 375 I CA 1.607 62.892 61.300 -0.026 0.000 1.451 375 I CB 0.146 38.102 38.000 -0.074 0.000 1.089 375 I HN -0.078 nan 8.210 nan 0.000 0.441 376 K N 0.036 120.411 120.400 -0.041 0.000 2.792 376 K HA 0.185 4.506 4.320 0.002 0.000 0.207 376 K C -0.053 176.530 176.600 -0.028 0.000 1.103 376 K CA -0.244 56.026 56.287 -0.029 0.000 1.048 376 K CB -0.014 32.458 32.500 -0.047 0.000 0.777 376 K HN 0.165 nan 8.250 nan 0.000 0.468 377 N N 1.688 120.383 118.700 -0.008 0.000 2.483 377 N HA 0.012 4.753 4.740 0.002 0.000 0.264 377 N C -1.822 173.711 175.510 0.038 0.000 1.197 377 N CA -1.502 51.547 53.050 -0.001 0.000 0.927 377 N CB 0.973 39.501 38.487 0.067 0.000 1.065 377 N HN -0.124 nan 8.380 nan 0.000 0.461 378 P HA -0.155 nan 4.420 nan 0.000 0.216 378 P C -0.442 176.913 177.300 0.092 0.000 1.150 378 P CA 1.085 64.212 63.100 0.046 0.000 0.843 378 P CB 0.080 31.792 31.700 0.019 0.000 0.787 379 D N -0.317 120.129 120.400 0.077 0.000 2.371 379 D HA -0.069 4.573 4.640 0.002 0.000 0.256 379 D C 1.229 177.588 176.300 0.099 0.000 1.193 379 D CA -0.427 53.619 54.000 0.076 0.000 0.881 379 D CB 0.097 40.947 40.800 0.084 0.000 1.143 379 D HN 0.210 nan 8.370 nan 0.000 0.473 380 W N 5.357 126.711 121.300 0.090 0.000 2.392 380 W HA -0.138 4.524 4.660 0.002 0.000 0.279 380 W C 1.012 177.573 176.519 0.069 0.000 1.225 380 W CA 0.091 57.478 57.345 0.070 0.000 1.233 380 W CB -0.607 28.881 29.460 0.045 0.000 1.122 380 W HN 0.367 nan 8.180 nan 0.000 0.561 381 R N -0.288 119.747 120.500 -0.774 0.000 2.115 381 R HA -0.133 4.208 4.340 0.002 0.000 0.230 381 R C 2.055 178.140 176.300 -0.360 0.000 1.111 381 R CA 1.621 57.228 56.100 -0.821 0.000 0.976 381 R CB -0.973 28.686 30.300 -1.069 0.000 0.870 381 R HN 0.227 nan 8.270 nan 0.000 0.445 382 Y N 0.592 120.775 120.300 -0.194 0.000 2.314 382 Y HA 0.025 4.576 4.550 0.002 0.000 0.294 382 Y C 2.685 178.566 175.900 -0.032 0.000 1.119 382 Y CA 0.810 58.840 58.100 -0.118 0.000 1.179 382 Y CB -0.027 38.369 38.460 -0.107 0.000 1.025 382 Y HN -0.101 nan 8.280 nan 0.000 0.541 383 R N 0.368 120.973 120.500 0.174 0.000 2.081 383 R HA -0.211 4.130 4.340 0.002 0.000 0.235 383 R C 1.672 178.069 176.300 0.161 0.000 1.131 383 R CA 2.070 58.263 56.100 0.153 0.000 0.960 383 R CB -0.351 30.047 30.300 0.163 0.000 0.856 383 R HN 0.327 nan 8.270 nan 0.000 0.436 384 D N -0.441 120.067 120.400 0.179 0.000 2.144 384 D HA -0.082 4.560 4.640 0.002 0.000 0.200 384 D C 1.663 178.063 176.300 0.165 0.000 0.978 384 D CA 1.319 55.434 54.000 0.192 0.000 0.833 384 D CB 0.053 41.004 40.800 0.251 0.000 0.961 384 D HN 0.324 nan 8.370 nan 0.000 0.470 385 A N 0.353 123.253 122.820 0.132 0.000 1.933 385 A HA 0.051 4.372 4.320 0.002 0.000 0.218 385 A C 2.322 180.115 177.584 0.348 0.000 1.175 385 A CA 1.915 54.071 52.037 0.199 0.000 0.628 385 A CB -0.923 18.198 19.000 0.201 0.000 0.814 385 A HN 0.312 nan 8.150 nan 0.000 0.444 386 A N -0.330 122.659 122.820 0.281 0.000 1.873 386 A HA -0.002 4.319 4.320 0.002 0.000 0.215 386 A C 2.182 179.929 177.584 0.271 0.000 1.186 386 A CA 1.872 54.063 52.037 0.258 0.000 0.616 386 A CB -0.952 18.112 19.000 0.106 0.000 0.823 386 A HN 0.525 nan 8.150 nan 0.000 0.442 387 V N -0.785 119.274 119.914 0.241 0.000 2.515 387 V HA -0.245 3.876 4.120 0.002 0.000 0.250 387 V C 2.495 178.809 176.094 0.366 0.000 1.058 387 V CA 2.120 64.590 62.300 0.283 0.000 1.064 387 V CB -0.872 31.093 31.823 0.237 0.000 0.675 387 V HN 0.613 nan 8.190 nan 0.000 0.461 388 M N 1.651 121.449 119.600 0.330 0.000 2.077 388 M HA 0.007 4.488 4.480 0.002 0.000 0.261 388 M C 2.181 178.695 176.300 0.357 0.000 1.070 388 M CA 2.222 57.734 55.300 0.353 0.000 1.125 388 M CB -0.871 31.845 32.600 0.195 0.000 1.339 388 M HN 0.222 nan 8.290 nan 0.000 0.409 389 A N -0.340 122.661 122.820 0.301 0.000 1.917 389 A HA -0.220 4.101 4.320 0.002 0.000 0.219 389 A C 2.165 179.933 177.584 0.307 0.000 1.182 389 A CA 2.097 54.295 52.037 0.267 0.000 0.633 389 A CB -1.496 17.675 19.000 0.285 0.000 0.819 389 A HN 0.654 nan 8.150 nan 0.000 0.448 390 F N 1.080 121.137 119.950 0.178 0.000 2.102 390 F HA -0.021 4.508 4.527 0.002 0.000 0.298 390 F C 2.364 178.220 175.800 0.094 0.000 1.105 390 F CA 1.382 59.455 58.000 0.122 0.000 1.239 390 F CB -0.878 38.180 39.000 0.098 0.000 0.991 390 F HN 0.194 nan 8.300 nan 0.000 0.474 391 G N -0.980 107.883 108.800 0.107 0.000 2.432 391 G HA2 -0.257 3.704 3.960 0.002 0.000 0.219 391 G HA3 -0.257 3.704 3.960 0.002 0.000 0.219 391 G C 1.705 176.587 174.900 -0.029 0.000 1.135 391 G CA 1.075 46.113 45.100 -0.103 0.000 0.767 391 G HN 0.505 nan 8.290 nan 0.000 0.550 392 C N 0.648 120.070 119.300 0.204 0.000 2.446 392 C HA 0.098 4.559 4.460 0.002 0.000 0.279 392 C C 2.445 177.485 174.990 0.084 0.000 1.366 392 C CA 0.554 59.703 59.018 0.218 0.000 1.763 392 C CB -0.860 27.012 27.740 0.221 0.000 1.929 392 C HN 0.654 nan 8.230 nan 0.000 0.509 393 I N -2.108 118.470 120.570 0.014 0.000 3.861 393 I HA 0.184 4.355 4.170 0.002 0.000 0.329 393 I C 1.345 177.408 176.117 -0.090 0.000 1.321 393 I CA 0.718 62.013 61.300 -0.009 0.000 1.126 393 I CB -0.462 37.561 38.000 0.038 0.000 1.018 393 I HN 0.142 nan 8.210 nan 0.000 0.407 394 L N 0.868 121.996 121.223 -0.160 0.000 2.554 394 L HA 0.237 4.579 4.340 0.002 0.000 0.226 394 L C 0.815 177.617 176.870 -0.113 0.000 1.137 394 L CA 0.671 55.384 54.840 -0.211 0.000 0.863 394 L CB -0.092 41.775 42.059 -0.321 0.000 0.985 394 L HN 0.430 nan 8.230 nan 0.000 0.451 395 E N -0.909 119.259 120.200 -0.053 0.000 2.234 395 E HA 0.460 4.811 4.350 0.002 0.000 0.266 395 E C 0.183 176.787 176.600 0.007 0.000 0.877 395 E CA 0.316 56.706 56.400 -0.017 0.000 0.758 395 E CB 1.720 31.423 29.700 0.005 0.000 1.170 395 E HN 0.073 nan 8.360 nan 0.000 0.415 396 G N 4.482 113.288 108.800 0.011 0.000 3.038 396 G HA2 -0.152 3.809 3.960 0.002 0.000 0.197 396 G HA3 -0.152 3.809 3.960 0.002 0.000 0.197 396 G C -2.323 172.591 174.900 0.023 0.000 1.925 396 G CA -0.389 44.725 45.100 0.024 0.000 1.405 396 G HN 0.537 nan 8.290 nan 0.000 0.524 397 P HA 0.363 nan 4.420 nan 0.000 0.268 397 P C -0.222 177.086 177.300 0.012 0.000 1.208 397 P CA 0.193 63.306 63.100 0.021 0.000 0.777 397 P CB 0.327 32.040 31.700 0.022 0.000 0.875 398 E N 3.421 123.630 120.200 0.016 0.000 2.417 398 E HA -0.034 4.317 4.350 0.002 0.000 0.261 398 E C -1.411 175.193 176.600 0.007 0.000 1.000 398 E CA -1.077 55.330 56.400 0.012 0.000 0.919 398 E CB -0.052 29.656 29.700 0.014 0.000 0.955 398 E HN 0.352 nan 8.360 nan 0.000 0.455 399 P HA -0.251 nan 4.420 nan 0.000 0.218 399 P C 1.225 178.527 177.300 0.004 0.000 1.146 399 P CA 1.344 64.442 63.100 -0.005 0.000 0.820 399 P CB 0.151 31.848 31.700 -0.006 0.000 0.778 400 S N -1.642 114.063 115.700 0.008 0.000 2.447 400 S HA -0.168 4.303 4.470 0.002 0.000 0.233 400 S C 1.984 176.595 174.600 0.018 0.000 1.006 400 S CA 0.815 59.022 58.200 0.012 0.000 0.957 400 S CB -0.865 62.342 63.200 0.011 0.000 0.773 400 S HN 0.234 nan 8.310 nan 0.000 0.507 401 Q N 0.520 120.332 119.800 0.020 0.000 2.123 401 Q HA 0.213 4.554 4.340 0.002 0.000 0.196 401 Q C 2.189 178.214 176.000 0.042 0.000 0.958 401 Q CA 0.928 56.749 55.803 0.030 0.000 0.841 401 Q CB -0.185 28.572 28.738 0.031 0.000 0.915 401 Q HN 0.560 nan 8.270 nan 0.000 0.455 402 L N 0.340 121.581 121.223 0.030 0.000 2.156 402 L HA -0.134 4.207 4.340 0.002 0.000 0.208 402 L C 2.238 179.135 176.870 0.045 0.000 1.095 402 L CA 0.869 55.727 54.840 0.031 0.000 0.770 402 L CB -0.194 41.848 42.059 -0.028 0.000 0.914 402 L HN 0.085 nan 8.230 nan 0.000 0.439 403 K N 0.189 120.607 120.400 0.029 0.000 2.002 403 K HA -0.154 4.167 4.320 0.002 0.000 0.209 403 K C -0.383 176.250 176.600 0.055 0.000 1.048 403 K CA 1.559 57.865 56.287 0.032 0.000 0.930 403 K CB -1.059 31.453 32.500 0.020 0.000 0.714 403 K HN 0.237 nan 8.250 nan 0.000 0.438 404 P HA -0.126 nan 4.420 nan 0.000 0.218 404 P C 1.072 178.414 177.300 0.070 0.000 1.149 404 P CA 1.099 64.233 63.100 0.056 0.000 0.817 404 P CB 0.062 31.788 31.700 0.043 0.000 0.785 405 L N -1.393 119.889 121.223 0.099 0.000 2.056 405 L HA -0.123 4.219 4.340 0.002 0.000 0.207 405 L C 2.375 179.362 176.870 0.195 0.000 1.078 405 L CA 1.171 56.096 54.840 0.141 0.000 0.749 405 L CB -1.074 41.128 42.059 0.238 0.000 0.901 405 L HN -0.141 nan 8.230 nan 0.000 0.433 406 V N 0.108 120.168 119.914 0.244 0.000 2.295 406 V HA -0.288 3.833 4.120 0.002 0.000 0.246 406 V C 2.455 178.594 176.094 0.075 0.000 1.049 406 V CA 1.458 63.893 62.300 0.226 0.000 1.024 406 V CB -0.341 31.552 31.823 0.117 0.000 0.648 406 V HN 0.273 nan 8.190 nan 0.000 0.447 407 I N -0.120 120.491 120.570 0.069 0.000 2.208 407 I HA -0.287 3.884 4.170 0.002 0.000 0.245 407 I C 2.546 178.674 176.117 0.017 0.000 1.097 407 I CA 1.705 63.052 61.300 0.078 0.000 1.363 407 I CB -1.383 36.694 38.000 0.129 0.000 1.051 407 I HN 0.446 nan 8.210 nan 0.000 0.413 408 Q N 0.280 120.086 119.800 0.009 0.000 2.124 408 Q HA -0.084 4.257 4.340 0.002 0.000 0.202 408 Q C 2.194 178.121 176.000 -0.122 0.000 0.977 408 Q CA 1.783 57.565 55.803 -0.035 0.000 0.850 408 Q CB -0.166 28.555 28.738 -0.029 0.000 0.901 408 Q HN 0.559 nan 8.270 nan 0.000 0.429 409 A N -0.330 122.399 122.820 -0.152 0.000 2.218 409 A HA -0.004 4.318 4.320 0.002 0.000 0.209 409 A C 1.779 179.233 177.584 -0.217 0.000 1.168 409 A CA 0.206 52.105 52.037 -0.228 0.000 0.804 409 A CB -0.072 18.692 19.000 -0.394 0.000 0.834 409 A HN 0.204 nan 8.150 nan 0.000 0.482 410 M N 0.175 119.601 119.600 -0.291 0.000 2.065 410 M HA -0.097 4.384 4.480 0.002 0.000 0.259 410 M C -0.541 175.504 176.300 -0.426 0.000 1.069 410 M CA 1.701 56.752 55.300 -0.416 0.000 1.110 410 M CB -2.140 30.035 32.600 -0.708 0.000 1.328 410 M HN 0.121 nan 8.290 nan 0.000 0.405 411 P HA -0.095 nan 4.420 nan 0.000 0.215 411 P C 1.432 178.645 177.300 -0.145 0.000 1.153 411 P CA 1.610 64.555 63.100 -0.259 0.000 0.853 411 P CB -0.331 31.273 31.700 -0.159 0.000 0.788 412 T N -0.395 114.074 114.554 -0.141 0.000 2.821 412 T HA -0.089 4.263 4.350 0.002 0.000 0.267 412 T C 1.624 176.279 174.700 -0.074 0.000 1.046 412 T CA 0.888 62.930 62.100 -0.096 0.000 1.139 412 T CB -0.746 68.057 68.868 -0.109 0.000 0.871 412 T HN -0.075 nan 8.240 nan 0.000 0.454 413 L N 0.807 121.975 121.223 -0.091 0.000 2.046 413 L HA 0.077 4.418 4.340 0.002 0.000 0.208 413 L C 2.265 179.111 176.870 -0.039 0.000 1.077 413 L CA 1.258 56.071 54.840 -0.046 0.000 0.747 413 L CB -0.989 41.046 42.059 -0.040 0.000 0.896 413 L HN 0.319 nan 8.230 nan 0.000 0.432 414 I N -0.946 119.584 120.570 -0.066 0.000 2.286 414 I HA -0.277 3.894 4.170 0.002 0.000 0.248 414 I C 2.309 178.414 176.117 -0.021 0.000 1.115 414 I CA 0.952 62.225 61.300 -0.044 0.000 1.392 414 I CB -0.239 37.733 38.000 -0.047 0.000 1.065 414 I HN 0.342 nan 8.210 nan 0.000 0.418 415 E N 0.877 121.063 120.200 -0.024 0.000 2.051 415 E HA -0.198 4.153 4.350 0.002 0.000 0.192 415 E C 2.243 178.847 176.600 0.006 0.000 0.991 415 E CA 1.162 57.557 56.400 -0.008 0.000 0.799 415 E CB -0.145 29.547 29.700 -0.013 0.000 0.748 415 E HN 0.456 nan 8.360 nan 0.000 0.449 416 L N 0.590 121.820 121.223 0.011 0.000 2.362 416 L HA -0.137 4.205 4.340 0.002 0.000 0.219 416 L C 2.342 179.236 176.870 0.040 0.000 1.134 416 L CA 0.296 55.157 54.840 0.035 0.000 0.807 416 L CB -0.221 41.867 42.059 0.049 0.000 0.927 416 L HN 0.238 nan 8.230 nan 0.000 0.447 417 M N -0.429 119.187 119.600 0.026 0.000 2.229 417 M HA -0.142 4.339 4.480 0.002 0.000 0.264 417 M C 1.510 177.825 176.300 0.024 0.000 1.063 417 M CA 1.599 56.914 55.300 0.026 0.000 1.114 417 M CB -0.611 31.995 32.600 0.010 0.000 1.387 417 M HN 0.038 nan 8.290 nan 0.000 0.420 418 K N 0.251 120.663 120.400 0.019 0.000 2.446 418 K HA 0.087 4.408 4.320 0.002 0.000 0.203 418 K C -0.358 176.253 176.600 0.018 0.000 1.027 418 K CA -0.144 56.152 56.287 0.016 0.000 1.166 418 K CB -0.148 32.359 32.500 0.012 0.000 0.869 418 K HN 0.162 nan 8.250 nan 0.000 0.504 419 D N 1.064 121.480 120.400 0.026 0.000 2.472 419 D HA -0.034 4.608 4.640 0.002 0.000 0.237 419 D C -1.161 175.149 176.300 0.016 0.000 1.141 419 D CA -1.318 52.700 54.000 0.031 0.000 0.875 419 D CB 0.984 41.814 40.800 0.050 0.000 1.192 419 D HN -0.031 nan 8.370 nan 0.000 0.450 420 P HA -0.114 nan 4.420 nan 0.000 0.217 420 P C 0.221 177.498 177.300 -0.038 0.000 1.150 420 P CA 0.510 63.606 63.100 -0.007 0.000 0.832 420 P CB 0.079 31.779 31.700 0.001 0.000 0.787 421 S N -0.331 115.345 115.700 -0.040 0.000 2.510 421 S HA 0.126 4.598 4.470 0.002 0.000 0.279 421 S C 1.429 175.970 174.600 -0.099 0.000 1.284 421 S CA -0.609 57.516 58.200 -0.124 0.000 1.059 421 S CB 0.198 63.330 63.200 -0.112 0.000 0.901 421 S HN -0.184 nan 8.310 nan 0.000 0.491 422 V N 6.337 126.164 119.914 -0.145 0.000 2.407 422 V HA -0.143 3.978 4.120 0.002 0.000 0.248 422 V C 2.294 178.347 176.094 -0.068 0.000 1.055 422 V CA 1.899 64.142 62.300 -0.095 0.000 1.049 422 V CB -0.839 30.919 31.823 -0.108 0.000 0.662 422 V HN 0.842 nan 8.190 nan 0.000 0.455 423 V N -0.252 119.589 119.914 -0.120 0.000 2.358 423 V HA -0.193 3.928 4.120 0.002 0.000 0.246 423 V C 2.427 178.566 176.094 0.076 0.000 1.047 423 V CA 1.804 64.088 62.300 -0.026 0.000 1.035 423 V CB -0.510 31.294 31.823 -0.032 0.000 0.658 423 V HN 0.418 nan 8.190 nan 0.000 0.452 424 V N 0.062 120.034 119.914 0.098 0.000 2.295 424 V HA -0.256 3.865 4.120 0.002 0.000 0.246 424 V C 2.610 178.772 176.094 0.112 0.000 1.049 424 V CA 2.091 64.475 62.300 0.140 0.000 1.024 424 V CB -0.834 31.082 31.823 0.155 0.000 0.648 424 V HN 0.446 nan 8.190 nan 0.000 0.447 425 R N 0.282 120.827 120.500 0.074 0.000 2.096 425 R HA -0.222 4.120 4.340 0.002 0.000 0.240 425 R C 2.205 178.563 176.300 0.097 0.000 1.139 425 R CA 2.012 58.155 56.100 0.071 0.000 0.952 425 R CB -0.641 29.684 30.300 0.042 0.000 0.854 425 R HN 0.553 nan 8.270 nan 0.000 0.436 426 D N -0.411 120.042 120.400 0.089 0.000 2.123 426 D HA -0.139 4.502 4.640 0.002 0.000 0.196 426 D C 1.433 177.838 176.300 0.175 0.000 0.992 426 D CA 1.754 55.818 54.000 0.108 0.000 0.833 426 D CB -0.045 40.792 40.800 0.063 0.000 0.954 426 D HN 0.144 nan 8.370 nan 0.000 0.455 427 T N -0.460 114.200 114.554 0.178 0.000 2.942 427 T HA 0.091 4.442 4.350 0.002 0.000 0.265 427 T C 1.922 176.825 174.700 0.337 0.000 1.062 427 T CA 1.103 63.364 62.100 0.268 0.000 1.139 427 T CB -0.311 68.686 68.868 0.215 0.000 0.883 427 T HN 0.252 nan 8.240 nan 0.000 0.468 428 A N 1.678 124.634 122.820 0.225 0.000 1.873 428 A HA 0.215 4.536 4.320 0.002 0.000 0.215 428 A C 2.655 180.335 177.584 0.160 0.000 1.186 428 A CA 1.677 53.820 52.037 0.177 0.000 0.616 428 A CB -1.128 17.942 19.000 0.116 0.000 0.823 428 A HN 0.483 nan 8.150 nan 0.000 0.442 429 A N -1.544 121.376 122.820 0.167 0.000 1.902 429 A HA -0.185 4.136 4.320 0.002 0.000 0.217 429 A C 2.000 179.719 177.584 0.225 0.000 1.181 429 A CA 1.629 53.756 52.037 0.150 0.000 0.623 429 A CB -0.911 18.180 19.000 0.152 0.000 0.818 429 A HN 0.887 nan 8.150 nan 0.000 0.443 430 W N 1.158 122.542 121.300 0.140 0.000 2.388 430 W HA -0.119 4.543 4.660 0.002 0.000 0.294 430 W C 2.102 178.727 176.519 0.178 0.000 1.212 430 W CA 2.236 59.715 57.345 0.225 0.000 1.271 430 W CB -0.453 29.125 29.460 0.196 0.000 1.126 430 W HN 0.263 nan 8.180 nan 0.000 0.535 431 T N 0.492 115.097 114.554 0.085 0.000 2.737 431 T HA -0.208 4.143 4.350 0.002 0.000 0.265 431 T C 1.865 176.438 174.700 -0.211 0.000 1.038 431 T CA 2.078 64.085 62.100 -0.154 0.000 1.144 431 T CB -0.896 68.037 68.868 0.109 0.000 0.866 431 T HN -0.019 nan 8.240 nan 0.000 0.434 432 V N 1.597 121.446 119.914 -0.108 0.000 2.287 432 V HA -0.139 3.983 4.120 0.002 0.000 0.248 432 V C 2.902 178.810 176.094 -0.310 0.000 1.053 432 V CA 2.062 64.264 62.300 -0.163 0.000 1.027 432 V CB -1.396 30.358 31.823 -0.115 0.000 0.646 432 V HN 0.620 nan 8.190 nan 0.000 0.447 433 G N -1.056 107.545 108.800 -0.332 0.000 2.448 433 G HA2 -0.261 3.700 3.960 0.002 0.000 0.219 433 G HA3 -0.261 3.700 3.960 0.002 0.000 0.219 433 G C 1.768 175.935 174.900 -1.223 0.000 1.127 433 G CA 0.718 45.421 45.100 -0.662 0.000 0.766 433 G HN 0.430 nan 8.290 nan 0.000 0.552 434 R N -0.680 119.337 120.500 -0.805 0.000 2.173 434 R HA 0.281 4.623 4.340 0.002 0.000 0.208 434 R C 2.411 178.427 176.300 -0.474 0.000 1.035 434 R CA 0.037 55.737 56.100 -0.666 0.000 1.004 434 R CB -0.106 29.798 30.300 -0.660 0.000 0.917 434 R HN 0.377 nan 8.270 nan 0.000 0.462 435 I N -0.189 120.134 120.570 -0.412 0.000 2.226 435 I HA -0.355 3.816 4.170 0.002 0.000 0.245 435 I C 2.082 178.036 176.117 -0.273 0.000 1.100 435 I CA 1.005 62.130 61.300 -0.290 0.000 1.374 435 I CB -0.170 37.704 38.000 -0.209 0.000 1.057 435 I HN 0.260 nan 8.210 nan 0.000 0.413 436 C N 0.174 119.266 119.300 -0.347 0.000 2.422 436 C HA -0.150 4.311 4.460 0.002 0.000 0.279 436 C C 2.721 177.540 174.990 -0.285 0.000 1.305 436 C CA 0.906 59.739 59.018 -0.309 0.000 1.757 436 C CB -1.008 26.507 27.740 -0.375 0.000 1.962 436 C HN 0.524 nan 8.230 nan 0.000 0.499 437 E N 0.437 120.412 120.200 -0.376 0.000 2.021 437 E HA -0.067 4.284 4.350 0.002 0.000 0.189 437 E C 2.011 178.540 176.600 -0.117 0.000 0.980 437 E CA 0.801 57.065 56.400 -0.227 0.000 0.803 437 E CB -0.063 29.515 29.700 -0.202 0.000 0.766 437 E HN 0.570 nan 8.360 nan 0.000 0.449 438 L N 0.206 121.349 121.223 -0.134 0.000 2.179 438 L HA 0.032 4.374 4.340 0.002 0.000 0.208 438 L C 0.865 177.687 176.870 -0.079 0.000 1.096 438 L CA 0.511 55.301 54.840 -0.084 0.000 0.779 438 L CB 0.269 42.270 42.059 -0.096 0.000 0.922 438 L HN 0.119 nan 8.230 nan 0.000 0.443 439 L N -0.523 120.638 121.223 -0.104 0.000 2.594 439 L HA 0.242 4.583 4.340 0.002 0.000 0.245 439 L C -1.853 174.975 176.870 -0.069 0.000 1.460 439 L CA -1.045 53.749 54.840 -0.076 0.000 0.865 439 L CB 0.901 42.911 42.059 -0.082 0.000 1.131 439 L HN -0.159 nan 8.230 nan 0.000 0.506 440 P HA -0.198 nan 4.420 nan 0.000 0.215 440 P C 1.380 178.663 177.300 -0.028 0.000 1.153 440 P CA 1.076 64.147 63.100 -0.048 0.000 0.853 440 P CB 0.400 32.087 31.700 -0.023 0.000 0.788 441 E N -0.349 119.842 120.200 -0.015 0.000 2.209 441 E HA -0.203 4.148 4.350 0.002 0.000 0.196 441 E C 1.741 178.341 176.600 -0.001 0.000 0.993 441 E CA 1.179 57.577 56.400 -0.004 0.000 0.819 441 E CB -0.307 29.393 29.700 0.001 0.000 0.745 441 E HN 0.125 nan 8.360 nan 0.000 0.477 442 A N 0.686 123.502 122.820 -0.006 0.000 1.975 442 A HA 0.142 4.463 4.320 0.002 0.000 0.215 442 A C 2.293 179.881 177.584 0.006 0.000 1.170 442 A CA 1.072 53.115 52.037 0.009 0.000 0.656 442 A CB -0.319 18.684 19.000 0.006 0.000 0.821 442 A HN 0.346 nan 8.150 nan 0.000 0.449 443 A N 0.196 122.999 122.820 -0.028 0.000 1.902 443 A HA 0.084 4.405 4.320 0.002 0.000 0.217 443 A C 1.034 178.605 177.584 -0.022 0.000 1.181 443 A CA 0.719 52.729 52.037 -0.046 0.000 0.623 443 A CB -0.565 18.380 19.000 -0.092 0.000 0.818 443 A HN 0.465 nan 8.150 nan 0.000 0.443 444 I N 0.603 121.163 120.570 -0.016 0.000 2.452 444 I HA 0.216 4.387 4.170 0.002 0.000 0.287 444 I C -0.328 175.794 176.117 0.008 0.000 1.079 444 I CA 0.078 61.373 61.300 -0.008 0.000 1.387 444 I CB 0.314 38.309 38.000 -0.009 0.000 1.404 444 I HN 0.243 nan 8.210 nan 0.000 0.522 445 N N 3.940 122.647 118.700 0.011 0.000 2.648 445 N HA 0.082 4.823 4.740 0.002 0.000 0.272 445 N C 0.185 175.678 175.510 -0.029 0.000 1.118 445 N CA -0.362 52.693 53.050 0.008 0.000 0.973 445 N CB 1.295 39.823 38.487 0.069 0.000 1.565 445 N HN 0.446 nan 8.380 nan 0.000 0.542 446 D N 1.616 121.987 120.400 -0.049 0.000 2.315 446 D HA -0.100 4.541 4.640 0.002 0.000 0.211 446 D C 1.241 177.475 176.300 -0.110 0.000 0.977 446 D CA 1.065 55.027 54.000 -0.063 0.000 0.894 446 D CB 0.568 41.334 40.800 -0.056 0.000 0.910 446 D HN 0.341 nan 8.370 nan 0.000 0.490 447 V N -0.689 119.113 119.914 -0.187 0.000 2.436 447 V HA -0.129 3.992 4.120 0.002 0.000 0.240 447 V C 1.469 177.337 176.094 -0.377 0.000 1.040 447 V CA 0.889 62.962 62.300 -0.378 0.000 1.052 447 V CB -0.396 31.033 31.823 -0.656 0.000 0.707 447 V HN 0.083 nan 8.190 nan 0.000 0.469 448 Y N -0.996 119.293 120.300 -0.019 0.000 2.449 448 Y HA 0.285 4.837 4.550 0.002 0.000 0.254 448 Y C 1.687 177.570 175.900 -0.028 0.000 1.140 448 Y CA -0.600 57.487 58.100 -0.022 0.000 1.272 448 Y CB -0.113 38.334 38.460 -0.022 0.000 1.114 448 Y HN 0.112 nan 8.280 nan 0.000 0.525 449 L N 0.693 121.964 121.223 0.080 0.000 2.012 449 L HA -0.180 4.162 4.340 0.002 0.000 0.210 449 L C 2.382 179.268 176.870 0.027 0.000 1.073 449 L CA 2.144 57.004 54.840 0.033 0.000 0.748 449 L CB -0.830 41.230 42.059 0.001 0.000 0.891 449 L HN 0.150 nan 8.230 nan 0.000 0.431 450 A N 0.469 123.304 122.820 0.024 0.000 1.851 450 A HA -0.118 4.203 4.320 0.002 0.000 0.216 450 A C 0.025 177.631 177.584 0.037 0.000 1.195 450 A CA 2.025 54.077 52.037 0.025 0.000 0.622 450 A CB -2.277 16.732 19.000 0.014 0.000 0.831 450 A HN 0.520 nan 8.150 nan 0.000 0.444 451 P HA -0.098 nan 4.420 nan 0.000 0.223 451 P C 1.557 178.878 177.300 0.035 0.000 1.151 451 P CA 0.869 64.001 63.100 0.054 0.000 0.787 451 P CB -0.106 31.647 31.700 0.088 0.000 0.788 452 L N -0.168 121.074 121.223 0.032 0.000 2.005 452 L HA -0.071 4.270 4.340 0.002 0.000 0.207 452 L C 2.506 179.348 176.870 -0.047 0.000 1.072 452 L CA 1.659 56.487 54.840 -0.019 0.000 0.744 452 L CB -1.517 40.526 42.059 -0.027 0.000 0.895 452 L HN -0.201 nan 8.230 nan 0.000 0.433 453 L N -0.716 120.497 121.223 -0.017 0.000 2.083 453 L HA -0.218 4.123 4.340 0.002 0.000 0.209 453 L C 2.637 179.550 176.870 0.072 0.000 1.083 453 L CA 1.312 56.168 54.840 0.027 0.000 0.752 453 L CB -0.599 41.507 42.059 0.079 0.000 0.899 453 L HN 0.399 nan 8.230 nan 0.000 0.433 454 Q N 0.066 119.895 119.800 0.049 0.000 2.119 454 Q HA -0.202 4.139 4.340 0.002 0.000 0.201 454 Q C 2.414 178.440 176.000 0.044 0.000 0.972 454 Q CA 2.165 57.998 55.803 0.051 0.000 0.847 454 Q CB -0.428 28.332 28.738 0.037 0.000 0.903 454 Q HN 0.705 nan 8.270 nan 0.000 0.433 455 C N -1.718 117.595 119.300 0.021 0.000 2.485 455 C HA 0.234 4.695 4.460 0.002 0.000 0.277 455 C C 2.295 177.290 174.990 0.010 0.000 1.376 455 C CA -0.199 58.827 59.018 0.012 0.000 1.759 455 C CB -1.069 26.669 27.740 -0.003 0.000 1.970 455 C HN 0.490 nan 8.230 nan 0.000 0.509 456 L N 0.800 122.013 121.223 -0.018 0.000 2.156 456 L HA 0.003 4.344 4.340 0.002 0.000 0.208 456 L C 2.769 179.746 176.870 0.179 0.000 1.095 456 L CA 1.333 56.143 54.840 -0.049 0.000 0.770 456 L CB -0.427 41.378 42.059 -0.424 0.000 0.914 456 L HN 0.287 nan 8.230 nan 0.000 0.439 457 I N -0.072 120.637 120.570 0.232 0.000 2.163 457 I HA -0.310 3.862 4.170 0.002 0.000 0.243 457 I C 2.333 178.514 176.117 0.106 0.000 1.085 457 I CA 1.527 62.944 61.300 0.196 0.000 1.347 457 I CB -0.207 37.868 38.000 0.125 0.000 1.044 457 I HN 0.237 nan 8.210 nan 0.000 0.408 458 E N 0.503 120.747 120.200 0.073 0.000 2.204 458 E HA -0.134 4.217 4.350 0.002 0.000 0.194 458 E C 2.223 178.851 176.600 0.047 0.000 0.989 458 E CA 0.995 57.422 56.400 0.046 0.000 0.824 458 E CB -0.274 29.445 29.700 0.033 0.000 0.756 458 E HN 0.577 nan 8.360 nan 0.000 0.477 459 G N 0.587 109.422 108.800 0.059 0.000 2.509 459 G HA2 -0.190 3.771 3.960 0.002 0.000 0.218 459 G HA3 -0.190 3.771 3.960 0.002 0.000 0.218 459 G C 1.391 176.332 174.900 0.067 0.000 1.124 459 G CA 0.210 45.344 45.100 0.056 0.000 0.776 459 G HN 0.142 nan 8.290 nan 0.000 0.547 460 L N 0.616 121.889 121.223 0.083 0.000 2.376 460 L HA 0.058 4.399 4.340 0.002 0.000 0.219 460 L C 2.330 179.216 176.870 0.027 0.000 1.133 460 L CA 0.455 55.333 54.840 0.063 0.000 0.816 460 L CB 0.174 42.269 42.059 0.060 0.000 0.933 460 L HN 0.101 nan 8.230 nan 0.000 0.449 461 S N -0.550 115.165 115.700 0.025 0.000 2.556 461 S HA 0.291 4.762 4.470 0.002 0.000 0.216 461 S C 0.909 175.517 174.600 0.012 0.000 0.970 461 S CA 0.036 58.242 58.200 0.011 0.000 0.912 461 S CB 0.176 63.381 63.200 0.009 0.000 0.790 461 S HN 0.359 nan 8.310 nan 0.000 0.504 462 A N 2.305 125.137 122.820 0.020 0.000 2.257 462 A HA 0.477 4.798 4.320 0.002 0.000 0.290 462 A C 0.482 178.075 177.584 0.016 0.000 1.201 462 A CA -0.669 51.379 52.037 0.018 0.000 0.863 462 A CB 0.172 19.188 19.000 0.026 0.000 1.256 462 A HN 0.368 nan 8.150 nan 0.000 0.506 463 E N -0.505 119.704 120.200 0.014 0.000 2.398 463 E HA 0.096 4.448 4.350 0.002 0.000 0.263 463 E C -2.270 174.343 176.600 0.022 0.000 1.046 463 E CA -1.396 55.011 56.400 0.013 0.000 0.908 463 E CB -0.415 29.289 29.700 0.005 0.000 0.963 463 E HN 0.242 nan 8.360 nan 0.000 0.431 464 P HA -0.172 nan 4.420 nan 0.000 0.218 464 P C 1.168 178.490 177.300 0.037 0.000 1.146 464 P CA 1.519 64.634 63.100 0.025 0.000 0.820 464 P CB 0.058 31.771 31.700 0.021 0.000 0.778 465 R N -0.848 119.673 120.500 0.035 0.000 2.083 465 R HA -0.096 4.245 4.340 0.002 0.000 0.237 465 R C 2.033 178.376 176.300 0.072 0.000 1.137 465 R CA 1.447 57.574 56.100 0.045 0.000 0.951 465 R CB -1.147 29.171 30.300 0.030 0.000 0.851 465 R HN 0.154 nan 8.270 nan 0.000 0.434 466 V N 0.439 120.393 119.914 0.067 0.000 2.331 466 V HA -0.080 4.041 4.120 0.002 0.000 0.242 466 V C 2.367 178.518 176.094 0.095 0.000 1.034 466 V CA 1.675 64.026 62.300 0.085 0.000 1.027 466 V CB -0.649 31.212 31.823 0.062 0.000 0.667 466 V HN 0.374 nan 8.190 nan 0.000 0.457 467 A N 0.008 122.873 122.820 0.074 0.000 1.978 467 A HA -0.213 4.108 4.320 0.002 0.000 0.220 467 A C 2.457 180.100 177.584 0.098 0.000 1.170 467 A CA 2.296 54.379 52.037 0.077 0.000 0.636 467 A CB -0.680 18.349 19.000 0.048 0.000 0.810 467 A HN 0.507 nan 8.150 nan 0.000 0.448 468 S N 0.595 116.351 115.700 0.094 0.000 2.368 468 S HA -0.147 4.325 4.470 0.002 0.000 0.225 468 S C 1.854 176.566 174.600 0.187 0.000 1.030 468 S CA 1.309 59.572 58.200 0.105 0.000 0.999 468 S CB -0.426 62.816 63.200 0.071 0.000 0.844 468 S HN 0.681 nan 8.310 nan 0.000 0.459 469 N N 1.188 120.026 118.700 0.230 0.000 2.244 469 N HA -0.017 4.724 4.740 0.002 0.000 0.183 469 N C 1.711 177.380 175.510 0.265 0.000 1.016 469 N CA 0.712 53.980 53.050 0.364 0.000 0.866 469 N CB -0.470 38.251 38.487 0.390 0.000 0.980 469 N HN 0.205 nan 8.380 nan 0.000 0.430 470 V N 0.926 120.937 119.914 0.163 0.000 2.343 470 V HA -0.250 3.871 4.120 0.002 0.000 0.247 470 V C 2.522 178.723 176.094 0.177 0.000 1.051 470 V CA 1.183 63.534 62.300 0.084 0.000 1.036 470 V CB -0.625 31.260 31.823 0.102 0.000 0.654 470 V HN 0.341 nan 8.190 nan 0.000 0.451 471 C N -1.103 118.344 119.300 0.245 0.000 2.413 471 C HA -0.215 4.246 4.460 0.002 0.000 0.276 471 C C 2.473 177.641 174.990 0.296 0.000 1.236 471 C CA 0.859 60.039 59.018 0.271 0.000 1.735 471 C CB -1.205 26.633 27.740 0.164 0.000 2.031 471 C HN 0.866 nan 8.230 nan 0.000 0.474 472 W N 1.956 123.300 121.300 0.073 0.000 2.363 472 W HA -0.089 4.573 4.660 0.003 0.000 0.296 472 W C 2.356 178.890 176.519 0.024 0.000 1.212 472 W CA 1.589 58.965 57.345 0.051 0.000 1.260 472 W CB -0.678 28.813 29.460 0.051 0.000 1.131 472 W HN 0.328 nan 8.180 nan 0.000 0.530 473 A N -0.579 122.179 122.820 -0.104 0.000 1.898 473 A HA -0.126 4.195 4.320 0.002 0.000 0.216 473 A C 1.940 179.380 177.584 -0.240 0.000 1.181 473 A CA 1.538 53.368 52.037 -0.345 0.000 0.620 473 A CB -1.372 17.408 19.000 -0.368 0.000 0.819 473 A HN 0.260 nan 8.150 nan 0.000 0.442 474 F N 1.365 121.278 119.950 -0.063 0.000 2.134 474 F HA -0.190 4.338 4.527 0.002 0.000 0.299 474 F C 3.047 178.831 175.800 -0.025 0.000 1.097 474 F CA 1.669 59.642 58.000 -0.045 0.000 1.264 474 F CB -0.582 38.396 39.000 -0.037 0.000 1.001 474 F HN 0.369 nan 8.300 nan 0.000 0.479 475 S N -1.289 114.526 115.700 0.193 0.000 2.368 475 S HA -0.189 4.282 4.470 0.002 0.000 0.225 475 S C 2.155 176.806 174.600 0.084 0.000 1.030 475 S CA 1.600 59.885 58.200 0.141 0.000 0.999 475 S CB -0.913 62.389 63.200 0.171 0.000 0.844 475 S HN 0.258 nan 8.310 nan 0.000 0.459 476 S N 1.761 117.457 115.700 -0.007 0.000 2.387 476 S HA 0.214 4.686 4.470 0.002 0.000 0.226 476 S C 1.788 176.370 174.600 -0.030 0.000 1.026 476 S CA 0.956 59.118 58.200 -0.063 0.000 0.972 476 S CB -0.510 62.544 63.200 -0.245 0.000 0.814 476 S HN 0.427 nan 8.310 nan 0.000 0.477 477 L N 1.072 122.276 121.223 -0.031 0.000 2.046 477 L HA -0.125 4.216 4.340 0.002 0.000 0.208 477 L C 2.759 179.683 176.870 0.090 0.000 1.077 477 L CA 1.176 56.017 54.840 0.001 0.000 0.747 477 L CB -0.620 41.426 42.059 -0.022 0.000 0.896 477 L HN 0.324 nan 8.230 nan 0.000 0.432 478 A N -0.080 122.832 122.820 0.153 0.000 1.877 478 A HA -0.239 4.082 4.320 0.002 0.000 0.216 478 A C 2.134 179.887 177.584 0.280 0.000 1.186 478 A CA 1.790 53.980 52.037 0.255 0.000 0.620 478 A CB -0.455 18.687 19.000 0.237 0.000 0.822 478 A HN 0.458 nan 8.150 nan 0.000 0.443 479 E N -0.320 119.986 120.200 0.176 0.000 2.077 479 E HA -0.083 4.268 4.350 0.002 0.000 0.193 479 E C 2.325 179.041 176.600 0.193 0.000 0.989 479 E CA 0.899 57.398 56.400 0.165 0.000 0.800 479 E CB -0.284 29.475 29.700 0.099 0.000 0.746 479 E HN 0.623 nan 8.360 nan 0.000 0.452 480 A N 1.505 124.405 122.820 0.133 0.000 1.877 480 A HA -0.092 4.229 4.320 0.002 0.000 0.216 480 A C 2.391 180.058 177.584 0.139 0.000 1.186 480 A CA 1.681 53.778 52.037 0.100 0.000 0.620 480 A CB -0.640 18.381 19.000 0.035 0.000 0.822 480 A HN 0.289 nan 8.150 nan 0.000 0.443 481 A N -2.022 120.901 122.820 0.172 0.000 1.969 481 A HA -0.036 4.285 4.320 0.002 0.000 0.218 481 A C 2.100 179.945 177.584 0.436 0.000 1.169 481 A CA 1.527 53.680 52.037 0.194 0.000 0.635 481 A CB -0.669 18.323 19.000 -0.012 0.000 0.810 481 A HN 0.690 nan 8.150 nan 0.000 0.445 482 Y N 0.482 120.998 120.300 0.360 0.000 2.184 482 Y HA -0.125 4.427 4.550 0.003 0.000 0.290 482 Y C 2.401 178.378 175.900 0.128 0.000 1.129 482 Y CA 1.930 60.174 58.100 0.239 0.000 1.144 482 Y CB -0.003 38.547 38.460 0.149 0.000 0.995 482 Y HN 0.293 nan 8.280 nan 0.000 0.513 483 E N 0.110 120.458 120.200 0.246 0.000 2.118 483 E HA -0.216 4.135 4.350 0.002 0.000 0.195 483 E C 2.261 178.882 176.600 0.035 0.000 0.992 483 E CA 1.152 57.627 56.400 0.125 0.000 0.804 483 E CB -0.400 29.382 29.700 0.137 0.000 0.741 483 E HN 0.574 nan 8.360 nan 0.000 0.458 484 A N 1.312 124.165 122.820 0.055 0.000 2.016 484 A HA 0.162 4.484 4.320 0.002 0.000 0.217 484 A C 1.476 179.061 177.584 0.002 0.000 1.162 484 A CA 0.756 52.811 52.037 0.029 0.000 0.662 484 A CB -0.221 18.804 19.000 0.043 0.000 0.812 484 A HN 0.190 nan 8.150 nan 0.000 0.450 485 A N 0.956 123.770 122.820 -0.009 0.000 2.498 485 A HA 0.352 4.674 4.320 0.002 0.000 0.239 485 A C -0.601 176.926 177.584 -0.095 0.000 1.068 485 A CA -0.252 51.762 52.037 -0.038 0.000 0.766 485 A CB -0.018 18.948 19.000 -0.058 0.000 1.003 485 A HN 0.365 nan 8.150 nan 0.000 0.497 486 D N 1.049 121.410 120.400 -0.065 0.000 2.390 486 D HA 0.371 5.012 4.640 0.002 0.000 0.249 486 D C -0.506 175.737 176.300 -0.095 0.000 1.144 486 D CA 0.463 54.423 54.000 -0.067 0.000 0.880 486 D CB 1.196 41.970 40.800 -0.043 0.000 1.182 486 D HN 0.137 nan 8.370 nan 0.000 0.451 487 V N 2.302 122.161 119.914 -0.091 0.000 2.376 487 V HA 0.415 4.536 4.120 0.002 0.000 0.287 487 V C 0.422 176.481 176.094 -0.057 0.000 1.015 487 V CA -1.219 61.027 62.300 -0.090 0.000 0.834 487 V CB 1.377 33.136 31.823 -0.106 0.000 1.001 487 V HN 0.683 nan 8.190 nan 0.000 0.428 488 A N 3.362 126.151 122.820 -0.050 0.000 2.584 488 A HA 0.133 4.454 4.320 0.002 0.000 0.239 488 A C 0.748 178.315 177.584 -0.028 0.000 1.043 488 A CA 0.213 52.228 52.037 -0.036 0.000 0.756 488 A CB -0.155 18.825 19.000 -0.034 0.000 0.963 488 A HN 1.072 nan 8.150 nan 0.000 0.511 489 D N 1.351 121.738 120.400 -0.021 0.000 2.826 489 D HA 0.078 4.719 4.640 0.002 0.000 0.247 489 D C 0.276 176.569 176.300 -0.011 0.000 1.238 489 D CA 0.613 54.604 54.000 -0.015 0.000 0.894 489 D CB 0.089 40.882 40.800 -0.012 0.000 1.100 489 D HN 0.609 nan 8.370 nan 0.000 0.453 490 D N -2.191 118.202 120.400 -0.012 0.000 2.411 490 D HA -0.069 4.572 4.640 0.002 0.000 0.374 490 D C 0.138 176.433 176.300 -0.008 0.000 1.187 490 D CA -0.207 53.788 54.000 -0.009 0.000 0.928 490 D CB -0.043 40.751 40.800 -0.009 0.000 1.402 490 D HN 0.169 nan 8.370 nan 0.000 0.478 491 Q N 0.485 120.277 119.800 -0.013 0.000 2.297 491 Q HA 0.293 4.635 4.340 0.002 0.000 0.268 491 Q C 0.236 176.233 176.000 -0.006 0.000 1.045 491 Q CA -0.363 55.433 55.803 -0.012 0.000 0.861 491 Q CB 2.459 31.182 28.738 -0.026 0.000 1.344 491 Q HN -0.040 nan 8.270 nan 0.000 0.452 492 E N 0.135 120.339 120.200 0.007 0.000 2.075 492 E HA 0.011 4.363 4.350 0.002 0.000 0.190 492 E C -0.095 176.524 176.600 0.031 0.000 0.969 492 E CA 0.989 57.406 56.400 0.027 0.000 0.815 492 E CB 0.263 29.991 29.700 0.047 0.000 0.776 492 E HN 0.314 nan 8.360 nan 0.000 0.457 493 E N 0.913 121.124 120.200 0.019 0.000 2.263 493 E HA 0.369 4.720 4.350 0.002 0.000 0.264 493 E C -2.420 174.123 176.600 -0.095 0.000 0.923 493 E CA -2.657 53.746 56.400 0.006 0.000 0.802 493 E CB 1.253 31.011 29.700 0.096 0.000 1.228 493 E HN 0.012 nan 8.360 nan 0.000 0.417 494 P HA 0.109 nan 4.420 nan 0.000 0.275 494 P C -0.067 177.117 177.300 -0.193 0.000 1.228 494 P CA 0.032 63.013 63.100 -0.197 0.000 0.786 494 P CB 0.992 32.524 31.700 -0.280 0.000 0.927 495 A N 2.459 125.187 122.820 -0.153 0.000 1.929 495 A HA 0.058 4.380 4.320 0.002 0.000 0.216 495 A C 1.173 178.669 177.584 -0.146 0.000 1.176 495 A CA 1.641 53.581 52.037 -0.161 0.000 0.628 495 A CB -0.574 18.359 19.000 -0.112 0.000 0.816 495 A HN 0.626 nan 8.150 nan 0.000 0.444 496 T N -2.118 112.385 114.554 -0.084 0.000 2.894 496 T HA 0.559 4.910 4.350 0.002 0.000 0.309 496 T C -1.582 173.191 174.700 0.121 0.000 1.208 496 T CA -0.396 61.707 62.100 0.006 0.000 1.016 496 T CB 1.388 70.263 68.868 0.012 0.000 1.192 496 T HN 0.795 nan 8.240 nan 0.000 0.491 497 Y N 0.466 120.746 120.300 -0.033 0.000 2.655 497 Y HA 0.527 5.078 4.550 0.002 0.000 0.336 497 Y C 1.077 176.995 175.900 0.031 0.000 1.154 497 Y CA -1.830 56.268 58.100 -0.002 0.000 1.055 497 Y CB -0.033 38.437 38.460 0.016 0.000 1.295 497 Y HN 0.781 nan 8.280 nan 0.000 0.465 498 C N 0.353 119.593 119.300 -0.100 0.000 2.485 498 C HA 0.216 4.678 4.460 0.002 0.000 0.283 498 C C 1.228 176.070 174.990 -0.248 0.000 1.478 498 C CA 0.241 59.174 59.018 -0.142 0.000 1.741 498 C CB -2.033 25.656 27.740 -0.085 0.000 1.675 498 C HN 0.695 nan 8.230 nan 0.000 0.573 499 L N 0.572 121.452 121.223 -0.572 0.000 2.693 499 L HA 0.108 4.449 4.340 0.002 0.000 0.235 499 L C 2.373 179.234 176.870 -0.014 0.000 1.127 499 L CA 0.099 54.725 54.840 -0.356 0.000 0.914 499 L CB -0.193 41.570 42.059 -0.494 0.000 1.193 499 L HN 0.211 nan 8.230 nan 0.000 0.502 500 S N 0.038 115.771 115.700 0.055 0.000 2.370 500 S HA -0.187 4.284 4.470 0.002 0.000 0.226 500 S C 2.178 176.871 174.600 0.154 0.000 1.033 500 S CA 1.822 60.139 58.200 0.196 0.000 1.011 500 S CB -0.086 63.208 63.200 0.157 0.000 0.852 500 S HN 0.385 nan 8.310 nan 0.000 0.457 501 S N 1.431 117.184 115.700 0.089 0.000 2.382 501 S HA -0.039 4.432 4.470 0.002 0.000 0.228 501 S C 1.925 176.580 174.600 0.090 0.000 1.027 501 S CA 1.228 59.472 58.200 0.073 0.000 0.991 501 S CB -0.195 63.029 63.200 0.041 0.000 0.823 501 S HN 0.510 nan 8.310 nan 0.000 0.469 502 S N 0.336 116.096 115.700 0.099 0.000 2.535 502 S HA 0.263 4.734 4.470 0.002 0.000 0.214 502 S C 1.172 175.833 174.600 0.101 0.000 0.980 502 S CA -0.367 57.885 58.200 0.085 0.000 0.907 502 S CB -0.187 63.056 63.200 0.072 0.000 0.790 502 S HN 0.487 nan 8.310 nan 0.000 0.510 503 F N 3.045 123.013 119.950 0.030 0.000 2.043 503 F HA -0.215 4.313 4.527 0.002 0.000 0.297 503 F C 2.429 178.236 175.800 0.013 0.000 1.121 503 F CA 2.112 60.140 58.000 0.048 0.000 1.199 503 F CB -0.205 38.870 39.000 0.126 0.000 0.968 503 F HN 0.214 nan 8.300 nan 0.000 0.478 504 E N -0.133 120.226 120.200 0.264 0.000 2.085 504 E HA -0.268 4.083 4.350 0.002 0.000 0.194 504 E C 2.166 178.762 176.600 -0.006 0.000 0.994 504 E CA 1.374 57.858 56.400 0.141 0.000 0.801 504 E CB -0.318 29.468 29.700 0.143 0.000 0.743 504 E HN 0.415 nan 8.360 nan 0.000 0.453 505 L N 1.273 122.488 121.223 -0.013 0.000 2.027 505 L HA -0.109 4.232 4.340 0.002 0.000 0.206 505 L C 2.324 179.113 176.870 -0.134 0.000 1.074 505 L CA 1.567 56.377 54.840 -0.049 0.000 0.745 505 L CB -0.447 41.604 42.059 -0.013 0.000 0.898 505 L HN 0.374 nan 8.230 nan 0.000 0.433 506 I N -4.418 116.024 120.570 -0.213 0.000 2.546 506 I HA -0.100 4.072 4.170 0.002 0.000 0.255 506 I C 2.224 178.045 176.117 -0.493 0.000 1.163 506 I CA 1.137 62.187 61.300 -0.417 0.000 1.457 506 I CB -0.645 37.014 38.000 -0.568 0.000 1.092 506 I HN 0.043 nan 8.210 nan 0.000 0.434 507 V N 1.065 120.716 119.914 -0.439 0.000 2.871 507 V HA -0.140 3.981 4.120 0.002 0.000 0.256 507 V C 2.392 178.341 176.094 -0.241 0.000 1.082 507 V CA 1.619 63.680 62.300 -0.399 0.000 1.105 507 V CB -0.260 31.274 31.823 -0.482 0.000 0.713 507 V HN 0.537 nan 8.190 nan 0.000 0.473 508 Q N -0.855 118.835 119.800 -0.184 0.000 2.123 508 Q HA -0.056 4.285 4.340 0.002 0.000 0.196 508 Q C 2.194 178.115 176.000 -0.132 0.000 0.958 508 Q CA 0.963 56.693 55.803 -0.122 0.000 0.841 508 Q CB -0.039 28.653 28.738 -0.077 0.000 0.915 508 Q HN 0.382 nan 8.270 nan 0.000 0.455 509 K N 0.592 120.899 120.400 -0.154 0.000 2.217 509 K HA -0.033 4.289 4.320 0.002 0.000 0.202 509 K C 1.923 178.427 176.600 -0.160 0.000 1.051 509 K CA 0.687 56.893 56.287 -0.134 0.000 0.952 509 K CB 0.047 32.478 32.500 -0.115 0.000 0.736 509 K HN 0.253 nan 8.250 nan 0.000 0.453 510 L N 0.429 121.517 121.223 -0.224 0.000 2.156 510 L HA -0.084 4.258 4.340 0.002 0.000 0.208 510 L C 2.264 178.998 176.870 -0.226 0.000 1.095 510 L CA 0.627 55.330 54.840 -0.229 0.000 0.770 510 L CB -0.267 41.622 42.059 -0.283 0.000 0.914 510 L HN 0.066 nan 8.230 nan 0.000 0.439 511 L N -0.668 120.435 121.223 -0.201 0.000 2.156 511 L HA -0.169 4.172 4.340 0.002 0.000 0.208 511 L C 2.373 179.145 176.870 -0.163 0.000 1.095 511 L CA 1.115 55.841 54.840 -0.190 0.000 0.770 511 L CB -0.278 41.704 42.059 -0.129 0.000 0.914 511 L HN 0.260 nan 8.230 nan 0.000 0.439 512 E N -0.706 119.417 120.200 -0.129 0.000 2.152 512 E HA -0.151 4.201 4.350 0.002 0.000 0.192 512 E C 2.030 178.567 176.600 -0.106 0.000 0.983 512 E CA 1.479 57.820 56.400 -0.098 0.000 0.818 512 E CB -0.005 29.650 29.700 -0.074 0.000 0.758 512 E HN 0.392 nan 8.360 nan 0.000 0.467 513 T N 0.421 114.901 114.554 -0.125 0.000 2.833 513 T HA -0.138 4.214 4.350 0.002 0.000 0.269 513 T C 1.945 176.546 174.700 -0.165 0.000 1.054 513 T CA 1.532 63.559 62.100 -0.121 0.000 1.135 513 T CB -0.320 68.479 68.868 -0.114 0.000 0.869 513 T HN 0.168 nan 8.240 nan 0.000 0.466 514 T N 1.983 116.390 114.554 -0.245 0.000 2.746 514 T HA -0.102 4.249 4.350 0.002 0.000 0.267 514 T C 1.498 176.090 174.700 -0.180 0.000 1.039 514 T CA 1.114 63.018 62.100 -0.326 0.000 1.142 514 T CB -0.336 68.210 68.868 -0.537 0.000 0.866 514 T HN 0.372 nan 8.240 nan 0.000 0.444 515 D N 0.915 121.238 120.400 -0.128 0.000 2.363 515 D HA 0.025 4.666 4.640 0.002 0.000 0.220 515 D C 0.795 177.060 176.300 -0.059 0.000 0.994 515 D CA 0.268 54.224 54.000 -0.074 0.000 0.890 515 D CB -0.111 40.655 40.800 -0.057 0.000 0.906 515 D HN 0.331 nan 8.370 nan 0.000 0.530 516 R N 1.328 121.785 120.500 -0.072 0.000 2.404 516 R HA 0.056 4.398 4.340 0.002 0.000 0.315 516 R C -1.521 174.754 176.300 -0.042 0.000 1.032 516 R CA -0.957 55.113 56.100 -0.050 0.000 0.992 516 R CB 0.551 30.820 30.300 -0.051 0.000 0.959 516 R HN -0.051 nan 8.270 nan 0.000 0.428 517 P HA -0.118 nan 4.420 nan 0.000 0.231 517 P C -0.003 177.345 177.300 0.081 0.000 1.158 517 P CA 0.965 64.085 63.100 0.034 0.000 0.763 517 P CB 0.190 31.913 31.700 0.038 0.000 0.805 518 D N -1.978 118.449 120.400 0.045 0.000 2.368 518 D HA 0.080 4.721 4.640 0.002 0.000 0.218 518 D C 1.714 178.036 176.300 0.037 0.000 1.112 518 D CA -0.082 53.963 54.000 0.075 0.000 0.834 518 D CB -1.127 39.698 40.800 0.042 0.000 0.953 518 D HN 0.038 nan 8.370 nan 0.000 0.505 519 G N 0.259 109.019 108.800 -0.066 0.000 2.535 519 G HA2 -0.249 3.712 3.960 0.002 0.000 0.218 519 G HA3 -0.249 3.712 3.960 0.002 0.000 0.218 519 G C 1.264 176.073 174.900 -0.150 0.000 1.122 519 G CA 0.496 45.513 45.100 -0.138 0.000 0.769 519 G HN 0.389 nan 8.290 nan 0.000 0.549 520 H N 0.759 119.830 119.070 0.001 0.000 2.326 520 H HA -0.048 4.510 4.556 0.003 0.000 0.301 520 H C 1.584 176.915 175.328 0.004 0.000 1.081 520 H CA 1.206 57.256 56.048 0.004 0.000 1.334 520 H CB -0.182 29.584 29.762 0.006 0.000 1.385 520 H HN 0.559 nan 8.280 nan 0.000 0.504 521 Q N 1.437 121.317 119.800 0.134 0.000 2.352 521 Q HA 0.039 4.380 4.340 0.002 0.000 0.260 521 Q C -0.076 175.950 176.000 0.044 0.000 0.976 521 Q CA -0.177 55.672 55.803 0.076 0.000 0.881 521 Q CB 0.855 29.629 28.738 0.061 0.000 1.235 521 Q HN 0.333 nan 8.270 nan 0.000 0.419 522 N N 1.295 120.018 118.700 0.040 0.000 2.778 522 N HA -0.241 4.500 4.740 0.002 0.000 0.249 522 N C -0.879 174.638 175.510 0.012 0.000 1.069 522 N CA 0.975 54.043 53.050 0.030 0.000 0.831 522 N CB -1.093 37.412 38.487 0.029 0.000 1.142 522 N HN 0.885 nan 8.380 nan 0.000 0.573 523 N N -0.128 118.575 118.700 0.005 0.000 2.714 523 N HA -0.193 4.548 4.740 0.002 0.000 0.252 523 N C 0.981 176.454 175.510 -0.062 0.000 1.014 523 N CA 0.823 53.846 53.050 -0.045 0.000 0.735 523 N CB -1.176 37.245 38.487 -0.109 0.000 0.924 523 N HN 0.510 nan 8.380 nan 0.000 0.540 524 L N -0.536 120.663 121.223 -0.040 0.000 2.056 524 L HA -0.103 4.239 4.340 0.002 0.000 0.207 524 L C 2.455 179.283 176.870 -0.070 0.000 1.078 524 L CA 1.494 56.309 54.840 -0.041 0.000 0.749 524 L CB -0.076 41.963 42.059 -0.033 0.000 0.901 524 L HN 0.412 nan 8.230 nan 0.000 0.433 525 R N -0.878 119.569 120.500 -0.087 0.000 2.081 525 R HA -0.156 4.185 4.340 0.002 0.000 0.235 525 R C 2.355 178.662 176.300 0.012 0.000 1.131 525 R CA 1.827 57.878 56.100 -0.082 0.000 0.960 525 R CB -0.046 30.200 30.300 -0.091 0.000 0.856 525 R HN 0.291 nan 8.270 nan 0.000 0.436 526 S N -0.138 115.552 115.700 -0.016 0.000 2.383 526 S HA -0.072 4.399 4.470 0.002 0.000 0.227 526 S C 1.901 176.478 174.600 -0.038 0.000 1.026 526 S CA 1.320 59.503 58.200 -0.027 0.000 0.981 526 S CB 0.009 63.102 63.200 -0.178 0.000 0.818 526 S HN 0.313 nan 8.310 nan 0.000 0.472 527 S N 1.540 117.200 115.700 -0.067 0.000 2.383 527 S HA 0.006 4.477 4.470 0.002 0.000 0.227 527 S C 2.200 176.799 174.600 -0.001 0.000 1.026 527 S CA 0.899 59.083 58.200 -0.027 0.000 0.981 527 S CB -0.372 62.824 63.200 -0.007 0.000 0.818 527 S HN 0.595 nan 8.310 nan 0.000 0.472 528 A N 0.348 123.135 122.820 -0.054 0.000 1.873 528 A HA -0.029 4.292 4.320 0.002 0.000 0.215 528 A C 1.856 179.356 177.584 -0.139 0.000 1.186 528 A CA 1.136 53.096 52.037 -0.128 0.000 0.616 528 A CB -0.924 17.932 19.000 -0.241 0.000 0.823 528 A HN 0.561 nan 8.150 nan 0.000 0.442 529 Y N -0.346 119.917 120.300 -0.062 0.000 2.181 529 Y HA -0.196 4.355 4.550 0.002 0.000 0.288 529 Y C 2.568 178.439 175.900 -0.048 0.000 1.146 529 Y CA 1.616 59.678 58.100 -0.062 0.000 1.164 529 Y CB -0.061 38.356 38.460 -0.071 0.000 0.982 529 Y HN 0.464 nan 8.280 nan 0.000 0.515 530 E N -0.086 120.184 120.200 0.116 0.000 2.058 530 E HA -0.213 4.138 4.350 0.002 0.000 0.194 530 E C 2.180 178.819 176.600 0.065 0.000 0.997 530 E CA 1.581 58.021 56.400 0.068 0.000 0.801 530 E CB -0.052 29.672 29.700 0.041 0.000 0.746 530 E HN 0.358 nan 8.360 nan 0.000 0.450 531 S N 0.813 116.547 115.700 0.057 0.000 2.343 531 S HA -0.171 4.301 4.470 0.002 0.000 0.219 531 S C 2.033 176.633 174.600 0.001 0.000 1.033 531 S CA 1.120 59.349 58.200 0.049 0.000 1.014 531 S CB -0.440 62.787 63.200 0.045 0.000 0.915 531 S HN 0.251 nan 8.310 nan 0.000 0.435 532 L N 0.846 122.046 121.223 -0.037 0.000 2.034 532 L HA -0.264 4.078 4.340 0.002 0.000 0.217 532 L C 2.596 179.462 176.870 -0.007 0.000 1.077 532 L CA 1.582 56.388 54.840 -0.058 0.000 0.769 532 L CB -0.499 41.528 42.059 -0.053 0.000 0.890 532 L HN 0.374 nan 8.230 nan 0.000 0.435 533 M N -1.331 118.287 119.600 0.030 0.000 2.077 533 M HA -0.223 4.259 4.480 0.002 0.000 0.261 533 M C 2.234 178.547 176.300 0.022 0.000 1.070 533 M CA 1.584 56.900 55.300 0.027 0.000 1.125 533 M CB -0.328 32.289 32.600 0.029 0.000 1.339 533 M HN 0.064 nan 8.290 nan 0.000 0.409 534 E N 0.745 120.964 120.200 0.031 0.000 2.085 534 E HA -0.165 4.186 4.350 0.002 0.000 0.194 534 E C 1.759 178.390 176.600 0.053 0.000 0.994 534 E CA 1.292 57.714 56.400 0.036 0.000 0.801 534 E CB -0.116 29.621 29.700 0.061 0.000 0.743 534 E HN 0.342 nan 8.360 nan 0.000 0.453 535 I N -0.068 120.536 120.570 0.057 0.000 2.226 535 I HA -0.222 3.949 4.170 0.002 0.000 0.245 535 I C 2.257 178.497 176.117 0.205 0.000 1.100 535 I CA 0.922 62.279 61.300 0.095 0.000 1.374 535 I CB -1.032 36.913 38.000 -0.091 0.000 1.057 535 I HN 0.065 nan 8.210 nan 0.000 0.413 536 V N 0.859 120.853 119.914 0.134 0.000 2.427 536 V HA -0.228 3.894 4.120 0.002 0.000 0.248 536 V C 2.639 178.783 176.094 0.084 0.000 1.051 536 V CA 1.547 63.953 62.300 0.178 0.000 1.048 536 V CB -0.541 31.335 31.823 0.089 0.000 0.666 536 V HN 0.368 nan 8.190 nan 0.000 0.456 537 K N 0.280 120.687 120.400 0.012 0.000 1.985 537 K HA -0.086 4.236 4.320 0.002 0.000 0.210 537 K C 0.742 177.234 176.600 -0.179 0.000 1.047 537 K CA 1.009 57.249 56.287 -0.078 0.000 0.932 537 K CB -0.202 32.244 32.500 -0.089 0.000 0.716 537 K HN 0.411 nan 8.250 nan 0.000 0.439 538 N N 2.006 120.608 118.700 -0.162 0.000 2.968 538 N HA 0.019 4.760 4.740 0.002 0.000 0.271 538 N C -0.900 174.651 175.510 0.068 0.000 1.174 538 N CA 0.107 52.965 53.050 -0.321 0.000 1.096 538 N CB 0.846 39.243 38.487 -0.150 0.000 1.403 538 N HN 0.154 nan 8.380 nan 0.000 0.522 539 S N -0.925 114.785 115.700 0.015 0.000 2.564 539 S HA 0.809 5.280 4.470 0.002 0.000 0.274 539 S C -0.355 174.084 174.600 -0.269 0.000 1.124 539 S CA -0.990 57.144 58.200 -0.111 0.000 0.869 539 S CB 2.169 65.410 63.200 0.069 0.000 1.105 539 S HN 0.324 nan 8.310 nan 0.000 0.472 540 A N 1.365 123.778 122.820 -0.680 0.000 2.252 540 A HA 0.609 4.930 4.320 0.002 0.000 0.305 540 A C 0.973 178.292 177.584 -0.442 0.000 1.097 540 A CA -0.765 50.983 52.037 -0.481 0.000 0.849 540 A CB 0.286 19.025 19.000 -0.435 0.000 1.142 540 A HN 0.939 nan 8.150 nan 0.000 0.499 541 K N -0.124 119.912 120.400 -0.606 0.000 2.148 541 K HA -0.126 4.196 4.320 0.002 0.000 0.204 541 K C 0.535 176.732 176.600 -0.671 0.000 1.050 541 K CA 1.631 57.259 56.287 -1.098 0.000 0.942 541 K CB -0.124 31.937 32.500 -0.732 0.000 0.724 541 K HN 0.837 nan 8.250 nan 0.000 0.446 542 D N -0.425 119.761 120.400 -0.358 0.000 2.352 542 D HA -0.068 4.573 4.640 0.002 0.000 0.232 542 D C 0.834 177.027 176.300 -0.179 0.000 1.055 542 D CA 0.301 54.180 54.000 -0.201 0.000 0.891 542 D CB -0.489 40.243 40.800 -0.115 0.000 0.897 542 D HN 0.105 nan 8.370 nan 0.000 0.529 543 C N -0.855 118.278 119.300 -0.279 0.000 3.228 543 C HA 0.191 4.653 4.460 0.002 0.000 0.290 543 C C 1.640 176.555 174.990 -0.125 0.000 1.301 543 C CA -0.626 58.131 59.018 -0.434 0.000 1.703 543 C CB -1.102 25.887 27.740 -1.251 0.000 2.141 543 C HN 0.193 nan 8.230 nan 0.000 0.656 544 Y N 2.489 122.670 120.300 -0.199 0.000 2.165 544 Y HA -0.086 4.465 4.550 0.003 0.000 0.286 544 Y C -0.078 175.800 175.900 -0.037 0.000 1.155 544 Y CA 1.184 59.225 58.100 -0.100 0.000 1.164 544 Y CB -2.252 36.165 38.460 -0.072 0.000 0.978 544 Y HN 0.312 nan 8.280 nan 0.000 0.513 545 P HA -0.160 nan 4.420 nan 0.000 0.215 545 P C 1.542 178.900 177.300 0.098 0.000 1.153 545 P CA 2.430 65.584 63.100 0.089 0.000 0.853 545 P CB -0.123 31.617 31.700 0.067 0.000 0.788 546 A N -0.832 122.069 122.820 0.135 0.000 1.968 546 A HA -0.103 4.218 4.320 0.002 0.000 0.217 546 A C 2.326 180.064 177.584 0.256 0.000 1.169 546 A CA 1.340 53.506 52.037 0.216 0.000 0.638 546 A CB -1.604 17.618 19.000 0.370 0.000 0.812 546 A HN 0.011 nan 8.150 nan 0.000 0.446 547 V N -0.102 119.956 119.914 0.239 0.000 2.261 547 V HA -0.275 3.846 4.120 0.002 0.000 0.246 547 V C 2.785 178.919 176.094 0.066 0.000 1.047 547 V CA 2.210 64.618 62.300 0.179 0.000 1.015 547 V CB -0.644 31.211 31.823 0.053 0.000 0.642 547 V HN 0.619 nan 8.190 nan 0.000 0.446 548 Q N 0.055 119.872 119.800 0.029 0.000 2.084 548 Q HA -0.247 4.094 4.340 0.002 0.000 0.202 548 Q C 2.388 178.399 176.000 0.017 0.000 0.978 548 Q CA 2.016 57.819 55.803 0.000 0.000 0.844 548 Q CB -0.185 28.552 28.738 -0.001 0.000 0.898 548 Q HN 0.637 nan 8.270 nan 0.000 0.426 549 K N -0.332 120.092 120.400 0.040 0.000 2.026 549 K HA -0.127 4.195 4.320 0.002 0.000 0.208 549 K C 2.027 178.642 176.600 0.026 0.000 1.048 549 K CA 1.861 58.167 56.287 0.033 0.000 0.929 549 K CB -0.076 32.450 32.500 0.043 0.000 0.713 549 K HN 0.326 nan 8.250 nan 0.000 0.439 550 T N -2.461 112.116 114.554 0.038 0.000 2.942 550 T HA -0.083 4.268 4.350 0.002 0.000 0.265 550 T C 1.999 176.709 174.700 0.016 0.000 1.062 550 T CA 1.605 63.718 62.100 0.020 0.000 1.139 550 T CB -0.441 68.435 68.868 0.013 0.000 0.883 550 T HN 0.161 nan 8.240 nan 0.000 0.468 551 T N 0.874 115.438 114.554 0.017 0.000 2.951 551 T HA 0.194 4.546 4.350 0.002 0.000 0.268 551 T C 1.811 176.506 174.700 -0.008 0.000 1.073 551 T CA 0.487 62.589 62.100 0.002 0.000 1.134 551 T CB -0.624 68.236 68.868 -0.014 0.000 0.884 551 T HN 0.385 nan 8.240 nan 0.000 0.479 552 L N 0.439 121.658 121.223 -0.006 0.000 2.046 552 L HA -0.053 4.288 4.340 0.002 0.000 0.208 552 L C 2.664 179.530 176.870 -0.007 0.000 1.077 552 L CA 0.975 55.809 54.840 -0.011 0.000 0.747 552 L CB -0.451 41.604 42.059 -0.006 0.000 0.896 552 L HN 0.175 nan 8.230 nan 0.000 0.432 553 V N 0.069 119.985 119.914 0.003 0.000 2.307 553 V HA -0.286 3.835 4.120 0.002 0.000 0.245 553 V C 2.297 178.409 176.094 0.030 0.000 1.045 553 V CA 1.776 64.083 62.300 0.011 0.000 1.024 553 V CB -0.344 31.484 31.823 0.009 0.000 0.651 553 V HN 0.310 nan 8.190 nan 0.000 0.449 554 I N -0.531 120.066 120.570 0.045 0.000 2.208 554 I HA -0.267 3.905 4.170 0.002 0.000 0.245 554 I C 2.455 178.567 176.117 -0.008 0.000 1.097 554 I CA 1.433 62.778 61.300 0.075 0.000 1.363 554 I CB -0.337 37.710 38.000 0.079 0.000 1.051 554 I HN 0.260 nan 8.210 nan 0.000 0.413 555 M N -0.233 119.348 119.600 -0.030 0.000 2.394 555 M HA -0.116 4.365 4.480 0.002 0.000 0.264 555 M C 1.997 178.256 176.300 -0.068 0.000 1.073 555 M CA 1.353 56.614 55.300 -0.065 0.000 1.111 555 M CB -1.126 31.435 32.600 -0.066 0.000 1.401 555 M HN 0.249 nan 8.290 nan 0.000 0.448 556 E N 0.428 120.603 120.200 -0.042 0.000 2.150 556 E HA -0.125 4.226 4.350 0.002 0.000 0.193 556 E C 0.945 177.515 176.600 -0.050 0.000 0.985 556 E CA 0.775 57.151 56.400 -0.041 0.000 0.814 556 E CB 0.071 29.759 29.700 -0.020 0.000 0.752 556 E HN 0.473 nan 8.360 nan 0.000 0.466 557 R N 0.645 121.119 120.500 -0.044 0.000 2.893 557 R HA 0.200 4.542 4.340 0.002 0.000 0.317 557 R C 1.404 177.621 176.300 -0.138 0.000 1.239 557 R CA -0.197 55.868 56.100 -0.059 0.000 1.128 557 R CB 0.239 30.549 30.300 0.018 0.000 1.377 557 R HN 0.127 nan 8.270 nan 0.000 0.583 558 L N 0.752 121.890 121.223 -0.142 0.000 2.141 558 L HA -0.213 4.128 4.340 0.002 0.000 0.209 558 L C 2.351 179.108 176.870 -0.189 0.000 1.094 558 L CA 1.708 56.443 54.840 -0.176 0.000 0.763 558 L CB -0.065 41.894 42.059 -0.166 0.000 0.908 558 L HN 0.451 nan 8.230 nan 0.000 0.437 559 Q N 0.012 119.710 119.800 -0.171 0.000 2.020 559 Q HA -0.280 4.061 4.340 0.002 0.000 0.202 559 Q C 2.126 178.041 176.000 -0.143 0.000 0.982 559 Q CA 2.274 57.980 55.803 -0.162 0.000 0.838 559 Q CB -0.009 28.644 28.738 -0.143 0.000 0.899 559 Q HN 0.681 nan 8.270 nan 0.000 0.423 560 Q N -1.115 118.603 119.800 -0.135 0.000 2.378 560 Q HA -0.039 4.302 4.340 0.002 0.000 0.205 560 Q C 1.789 177.669 176.000 -0.201 0.000 0.954 560 Q CA 1.139 56.868 55.803 -0.123 0.000 0.901 560 Q CB 0.047 28.743 28.738 -0.070 0.000 0.981 560 Q HN 0.196 nan 8.270 nan 0.000 0.483 561 V N 0.714 120.441 119.914 -0.311 0.000 2.453 561 V HA -0.202 3.919 4.120 0.002 0.000 0.247 561 V C 2.062 178.014 176.094 -0.236 0.000 1.048 561 V CA 1.076 63.130 62.300 -0.410 0.000 1.049 561 V CB -0.332 31.177 31.823 -0.524 0.000 0.672 561 V HN 0.250 nan 8.190 nan 0.000 0.457 562 L N -0.298 120.815 121.223 -0.184 0.000 2.027 562 L HA -0.143 4.198 4.340 0.002 0.000 0.206 562 L C 2.265 179.079 176.870 -0.093 0.000 1.074 562 L CA 1.806 56.569 54.840 -0.127 0.000 0.745 562 L CB -0.760 41.225 42.059 -0.124 0.000 0.898 562 L HN 0.344 nan 8.230 nan 0.000 0.433 563 Q N -1.009 118.736 119.800 -0.090 0.000 2.387 563 Q HA 0.030 4.371 4.340 0.002 0.000 0.211 563 Q C 0.539 176.514 176.000 -0.041 0.000 0.952 563 Q CA -0.012 55.758 55.803 -0.055 0.000 0.957 563 Q CB 0.045 28.754 28.738 -0.048 0.000 1.002 563 Q HN 0.428 nan 8.270 nan 0.000 0.502 578 N N 0.415 119.250 118.700 0.226 0.000 2.368 578 N HA -0.089 4.652 4.740 0.002 0.000 0.176 578 N C 0.654 176.201 175.510 0.062 0.000 1.021 578 N CA 0.973 54.082 53.050 0.099 0.000 0.888 578 N CB 0.145 38.671 38.487 0.066 0.000 0.995 578 N HN 0.263 nan 8.380 nan 0.000 0.437 579 D N 1.335 121.783 120.400 0.080 0.000 2.350 579 D HA -0.079 4.562 4.640 0.002 0.000 0.216 579 D C 1.939 178.255 176.300 0.027 0.000 0.968 579 D CA 0.075 54.105 54.000 0.050 0.000 0.894 579 D CB 0.147 40.986 40.800 0.065 0.000 0.909 579 D HN 0.339 nan 8.370 nan 0.000 0.520 580 L N 0.340 121.575 121.223 0.019 0.000 2.079 580 L HA -0.266 4.075 4.340 0.002 0.000 0.210 580 L C 2.166 179.016 176.870 -0.033 0.000 1.081 580 L CA 1.321 56.152 54.840 -0.015 0.000 0.752 580 L CB 0.121 42.157 42.059 -0.039 0.000 0.896 580 L HN -0.070 nan 8.230 nan 0.000 0.433 581 Q N -0.782 119.000 119.800 -0.030 0.000 2.083 581 Q HA -0.153 4.188 4.340 0.002 0.000 0.198 581 Q C 2.430 178.409 176.000 -0.034 0.000 0.969 581 Q CA 1.813 57.591 55.803 -0.042 0.000 0.838 581 Q CB -0.213 28.503 28.738 -0.036 0.000 0.900 581 Q HN 0.656 nan 8.270 nan 0.000 0.436 582 S N -0.087 115.602 115.700 -0.019 0.000 2.383 582 S HA -0.064 4.407 4.470 0.002 0.000 0.227 582 S C 1.751 176.341 174.600 -0.018 0.000 1.026 582 S CA 0.589 58.780 58.200 -0.016 0.000 0.981 582 S CB -0.356 62.841 63.200 -0.005 0.000 0.818 582 S HN 0.332 nan 8.310 nan 0.000 0.472 583 L N 0.680 121.895 121.223 -0.013 0.000 2.217 583 L HA 0.136 4.477 4.340 0.002 0.000 0.211 583 L C 2.289 179.145 176.870 -0.024 0.000 1.107 583 L CA 1.240 56.073 54.840 -0.011 0.000 0.783 583 L CB -0.691 41.370 42.059 0.003 0.000 0.919 583 L HN 0.439 nan 8.230 nan 0.000 0.442 584 L N -0.474 120.726 121.223 -0.037 0.000 2.056 584 L HA -0.174 4.168 4.340 0.002 0.000 0.207 584 L C 2.591 179.428 176.870 -0.056 0.000 1.078 584 L CA 1.717 56.525 54.840 -0.054 0.000 0.749 584 L CB -0.692 41.319 42.059 -0.079 0.000 0.901 584 L HN 0.201 nan 8.230 nan 0.000 0.433 585 C N -0.228 119.040 119.300 -0.052 0.000 2.440 585 C HA -0.029 4.432 4.460 0.002 0.000 0.278 585 C C 3.018 177.980 174.990 -0.048 0.000 1.295 585 C CA 0.595 59.581 59.018 -0.053 0.000 1.738 585 C CB -1.476 26.235 27.740 -0.048 0.000 1.987 585 C HN 0.734 nan 8.230 nan 0.000 0.492 586 A N 1.162 123.959 122.820 -0.039 0.000 1.898 586 A HA -0.172 4.149 4.320 0.002 0.000 0.216 586 A C 2.283 179.842 177.584 -0.042 0.000 1.181 586 A CA 2.546 54.562 52.037 -0.035 0.000 0.620 586 A CB -1.145 17.839 19.000 -0.027 0.000 0.819 586 A HN 0.668 nan 8.150 nan 0.000 0.442 587 T N -1.478 113.051 114.554 -0.042 0.000 2.777 587 T HA -0.133 4.218 4.350 0.002 0.000 0.266 587 T C 1.808 176.475 174.700 -0.054 0.000 1.040 587 T CA 1.402 63.475 62.100 -0.045 0.000 1.141 587 T CB -0.607 68.242 68.868 -0.033 0.000 0.868 587 T HN 0.221 nan 8.240 nan 0.000 0.444 588 L N 1.031 122.220 121.223 -0.056 0.000 2.012 588 L HA -0.086 4.255 4.340 0.002 0.000 0.210 588 L C 2.800 179.631 176.870 -0.064 0.000 1.073 588 L CA 1.843 56.644 54.840 -0.064 0.000 0.748 588 L CB -0.977 41.040 42.059 -0.071 0.000 0.891 588 L HN 0.229 nan 8.230 nan 0.000 0.431 589 Q N -0.219 119.546 119.800 -0.058 0.000 2.061 589 Q HA -0.278 4.063 4.340 0.002 0.000 0.204 589 Q C 2.194 178.164 176.000 -0.051 0.000 0.984 589 Q CA 2.128 57.900 55.803 -0.051 0.000 0.846 589 Q CB -0.475 28.236 28.738 -0.045 0.000 0.902 589 Q HN 0.730 nan 8.270 nan 0.000 0.421 590 N N -0.352 118.315 118.700 -0.055 0.000 2.058 590 N HA -0.146 4.596 4.740 0.002 0.000 0.191 590 N C 1.902 177.361 175.510 -0.085 0.000 1.037 590 N CA 1.753 54.766 53.050 -0.061 0.000 0.848 590 N CB 0.043 38.489 38.487 -0.067 0.000 1.021 590 N HN 0.067 nan 8.380 nan 0.000 0.422 591 V N 1.602 121.456 119.914 -0.099 0.000 2.261 591 V HA -0.209 3.912 4.120 0.002 0.000 0.246 591 V C 2.552 178.566 176.094 -0.133 0.000 1.047 591 V CA 1.073 63.289 62.300 -0.140 0.000 1.015 591 V CB -0.595 31.158 31.823 -0.116 0.000 0.642 591 V HN 0.228 nan 8.190 nan 0.000 0.446 592 L N -0.008 121.159 121.223 -0.093 0.000 2.081 592 L HA -0.173 4.169 4.340 0.002 0.000 0.212 592 L C 2.613 179.450 176.870 -0.055 0.000 1.080 592 L CA 1.866 56.660 54.840 -0.076 0.000 0.754 592 L CB -0.918 41.105 42.059 -0.060 0.000 0.893 592 L HN 0.276 nan 8.230 nan 0.000 0.433 593 R N -0.015 120.458 120.500 -0.046 0.000 2.093 593 R HA -0.080 4.261 4.340 0.002 0.000 0.224 593 R C 2.043 178.336 176.300 -0.011 0.000 1.101 593 R CA 1.296 57.387 56.100 -0.014 0.000 0.979 593 R CB -0.361 29.933 30.300 -0.009 0.000 0.877 593 R HN 0.560 nan 8.270 nan 0.000 0.441 594 K N 0.608 120.970 120.400 -0.064 0.000 2.284 594 K HA 0.072 4.394 4.320 0.002 0.000 0.198 594 K C 1.179 177.717 176.600 -0.103 0.000 1.048 594 K CA 0.300 56.553 56.287 -0.056 0.000 0.987 594 K CB -0.160 32.283 32.500 -0.094 0.000 0.800 594 K HN -0.008 nan 8.250 nan 0.000 0.486 595 V N 0.585 120.382 119.914 -0.195 0.000 3.133 595 V HA 0.140 4.261 4.120 0.002 0.000 0.305 595 V C -0.088 176.007 176.094 0.002 0.000 1.084 595 V CA -0.922 61.294 62.300 -0.139 0.000 1.089 595 V CB 0.706 32.429 31.823 -0.166 0.000 1.073 595 V HN 0.217 nan 8.190 nan 0.000 0.477 596 Q N 0.336 120.165 119.800 0.047 0.000 2.361 596 Q HA 0.065 4.406 4.340 0.002 0.000 0.276 596 Q C 1.017 177.062 176.000 0.074 0.000 1.022 596 Q CA 0.659 56.509 55.803 0.078 0.000 0.898 596 Q CB 0.399 29.184 28.738 0.077 0.000 1.246 596 Q HN 0.961 nan 8.270 nan 0.000 0.410 597 H N 1.764 120.844 119.070 0.017 0.000 2.353 597 H HA -0.209 4.348 4.556 0.002 0.000 0.298 597 H C 1.407 176.745 175.328 0.017 0.000 1.103 597 H CA 2.136 58.193 56.048 0.016 0.000 1.293 597 H CB 0.531 30.304 29.762 0.018 0.000 1.372 597 H HN 0.573 nan 8.280 nan 0.000 0.501 598 Q N 0.030 119.876 119.800 0.076 0.000 2.224 598 Q HA -0.106 4.236 4.340 0.002 0.000 0.203 598 Q C 1.561 177.547 176.000 -0.022 0.000 0.970 598 Q CA 1.278 57.096 55.803 0.024 0.000 0.865 598 Q CB -0.021 28.752 28.738 0.058 0.000 0.922 598 Q HN 0.633 nan 8.270 nan 0.000 0.445 599 D N 0.360 120.748 120.400 -0.019 0.000 2.194 599 D HA -0.007 4.634 4.640 0.002 0.000 0.204 599 D C 1.657 177.922 176.300 -0.059 0.000 0.964 599 D CA 1.083 55.067 54.000 -0.027 0.000 0.846 599 D CB 0.001 40.794 40.800 -0.013 0.000 0.962 599 D HN 0.222 nan 8.370 nan 0.000 0.490 600 A N 0.205 122.965 122.820 -0.100 0.000 1.968 600 A HA -0.083 4.238 4.320 0.002 0.000 0.217 600 A C 1.986 179.498 177.584 -0.119 0.000 1.169 600 A CA 0.745 52.708 52.037 -0.124 0.000 0.638 600 A CB -0.443 18.458 19.000 -0.165 0.000 0.812 600 A HN 0.135 nan 8.150 nan 0.000 0.446 601 L N -0.391 120.743 121.223 -0.149 0.000 2.093 601 L HA -0.159 4.182 4.340 0.002 0.000 0.208 601 L C 2.607 179.477 176.870 -0.000 0.000 1.085 601 L CA 2.023 56.821 54.840 -0.071 0.000 0.755 601 L CB -0.678 41.332 42.059 -0.082 0.000 0.904 601 L HN 0.560 nan 8.230 nan 0.000 0.435 602 Q N -0.462 119.328 119.800 -0.016 0.000 2.079 602 Q HA -0.176 4.166 4.340 0.002 0.000 0.200 602 Q C 2.341 178.338 176.000 -0.006 0.000 0.974 602 Q CA 1.481 57.284 55.803 -0.000 0.000 0.840 602 Q CB -0.014 28.721 28.738 -0.005 0.000 0.898 602 Q HN 0.495 nan 8.270 nan 0.000 0.430 603 I N 0.211 120.765 120.570 -0.026 0.000 2.226 603 I HA -0.263 3.909 4.170 0.002 0.000 0.245 603 I C 2.358 178.446 176.117 -0.050 0.000 1.100 603 I CA 0.985 62.261 61.300 -0.040 0.000 1.374 603 I CB -0.191 37.777 38.000 -0.054 0.000 1.057 603 I HN 0.097 nan 8.210 nan 0.000 0.413 604 S N 0.376 116.054 115.700 -0.037 0.000 2.383 604 S HA -0.215 4.256 4.470 0.002 0.000 0.229 604 S C 1.623 176.166 174.600 -0.095 0.000 1.030 604 S CA 1.496 59.659 58.200 -0.063 0.000 1.002 604 S CB -0.365 62.862 63.200 0.045 0.000 0.829 604 S HN 0.430 nan 8.310 nan 0.000 0.467 605 D N 0.871 121.313 120.400 0.070 0.000 2.144 605 D HA -0.054 4.587 4.640 0.002 0.000 0.199 605 D C 1.956 178.262 176.300 0.010 0.000 0.984 605 D CA 0.674 54.751 54.000 0.128 0.000 0.834 605 D CB -0.315 40.556 40.800 0.119 0.000 0.955 605 D HN 0.214 nan 8.370 nan 0.000 0.465 606 V N 0.183 120.080 119.914 -0.028 0.000 2.323 606 V HA -0.167 3.954 4.120 0.002 0.000 0.244 606 V C 2.627 178.667 176.094 -0.090 0.000 1.041 606 V CA 0.806 63.078 62.300 -0.047 0.000 1.025 606 V CB -0.359 31.440 31.823 -0.040 0.000 0.656 606 V HN 0.041 nan 8.190 nan 0.000 0.451 607 V N -0.362 119.478 119.914 -0.122 0.000 2.252 607 V HA -0.335 3.787 4.120 0.002 0.000 0.249 607 V C 2.518 178.495 176.094 -0.196 0.000 1.056 607 V CA 2.147 64.353 62.300 -0.158 0.000 1.022 607 V CB -0.621 31.102 31.823 -0.166 0.000 0.641 607 V HN 0.413 nan 8.190 nan 0.000 0.445 608 M N -0.564 118.876 119.600 -0.266 0.000 2.254 608 M HA -0.035 4.446 4.480 0.002 0.000 0.265 608 M C 2.355 178.582 176.300 -0.121 0.000 1.066 608 M CA 1.871 57.008 55.300 -0.271 0.000 1.123 608 M CB -1.375 30.872 32.600 -0.588 0.000 1.388 608 M HN 0.427 nan 8.290 nan 0.000 0.425 609 A N -0.486 122.285 122.820 -0.082 0.000 1.933 609 A HA -0.102 4.219 4.320 0.002 0.000 0.218 609 A C 2.484 180.020 177.584 -0.079 0.000 1.175 609 A CA 2.023 54.037 52.037 -0.038 0.000 0.628 609 A CB -0.638 18.353 19.000 -0.016 0.000 0.814 609 A HN 0.461 nan 8.150 nan 0.000 0.444 610 S N -0.361 115.269 115.700 -0.117 0.000 2.371 610 S HA 0.009 4.480 4.470 0.002 0.000 0.224 610 S C 1.809 176.265 174.600 -0.240 0.000 1.029 610 S CA 1.178 59.286 58.200 -0.152 0.000 0.978 610 S CB -0.346 62.766 63.200 -0.147 0.000 0.833 610 S HN 0.499 nan 8.310 nan 0.000 0.466 611 L N 0.688 121.742 121.223 -0.280 0.000 2.109 611 L HA -0.052 4.289 4.340 0.002 0.000 0.207 611 L C 1.963 178.489 176.870 -0.573 0.000 1.086 611 L CA 0.608 55.151 54.840 -0.494 0.000 0.760 611 L CB -0.406 41.442 42.059 -0.352 0.000 0.910 611 L HN 0.259 nan 8.230 nan 0.000 0.437 612 L N -0.283 120.812 121.223 -0.214 0.000 2.093 612 L HA -0.153 4.188 4.340 0.002 0.000 0.208 612 L C 2.629 179.403 176.870 -0.159 0.000 1.085 612 L CA 1.548 56.332 54.840 -0.095 0.000 0.755 612 L CB -0.960 41.162 42.059 0.105 0.000 0.904 612 L HN 0.215 nan 8.230 nan 0.000 0.435 613 R N -0.736 119.676 120.500 -0.146 0.000 2.075 613 R HA -0.146 4.195 4.340 0.002 0.000 0.232 613 R C 2.334 178.529 176.300 -0.174 0.000 1.126 613 R CA 1.280 57.312 56.100 -0.114 0.000 0.963 613 R CB -0.231 30.018 30.300 -0.086 0.000 0.858 613 R HN 0.258 nan 8.270 nan 0.000 0.435 614 M N 0.045 119.462 119.600 -0.304 0.000 2.065 614 M HA -0.187 4.294 4.480 0.002 0.000 0.259 614 M C 1.713 177.841 176.300 -0.287 0.000 1.071 614 M CA 1.972 57.066 55.300 -0.343 0.000 1.109 614 M CB -0.258 32.031 32.600 -0.520 0.000 1.313 614 M HN 0.224 nan 8.290 nan 0.000 0.408 615 F N -0.149 119.623 119.950 -0.297 0.000 2.126 615 F HA -0.289 4.238 4.527 -0.000 0.000 0.299 615 F C 2.670 178.325 175.800 -0.241 0.000 1.096 615 F CA 1.408 59.177 58.000 -0.386 0.000 1.255 615 F CB -0.468 37.956 39.000 -0.960 0.000 0.997 615 F HN 0.350 nan 8.300 nan 0.000 0.479 616 Q N -0.400 119.368 119.800 -0.052 0.000 2.331 616 Q HA -0.071 4.271 4.340 0.002 0.000 0.203 616 Q C 1.806 177.845 176.000 0.065 0.000 0.944 616 Q CA 0.995 56.856 55.803 0.097 0.000 0.892 616 Q CB 0.212 29.033 28.738 0.139 0.000 0.983 616 Q HN 0.318 nan 8.270 nan 0.000 0.482 617 S N -0.328 115.379 115.700 0.011 0.000 2.431 617 S HA 0.022 4.493 4.470 0.002 0.000 0.210 617 S C 0.863 175.469 174.600 0.010 0.000 1.013 617 S CA 0.593 58.797 58.200 0.006 0.000 0.920 617 S CB -0.029 63.159 63.200 -0.020 0.000 0.882 617 S HN 0.503 nan 8.310 nan 0.000 0.567 618 T N 1.076 115.626 114.554 -0.007 0.000 2.868 618 T HA 0.666 5.018 4.350 0.002 0.000 0.292 618 T C 1.328 176.044 174.700 0.026 0.000 1.028 618 T CA -0.091 62.009 62.100 0.001 0.000 1.059 618 T CB 1.018 69.875 68.868 -0.019 0.000 0.991 618 T HN 0.233 nan 8.240 nan 0.000 0.531 619 A N 1.414 124.250 122.820 0.026 0.000 1.837 619 A HA 0.394 4.715 4.320 0.002 0.000 0.216 619 A C 1.577 179.193 177.584 0.053 0.000 1.210 619 A CA 1.161 53.219 52.037 0.036 0.000 0.632 619 A CB -1.401 17.613 19.000 0.024 0.000 0.843 619 A HN 2.382 nan 8.150 nan 0.000 0.448 620 G N -1.506 107.323 108.800 0.048 0.000 2.314 620 G HA2 0.278 4.239 3.960 0.002 0.000 0.286 620 G HA3 0.278 4.239 3.960 0.002 0.000 0.286 620 G C -0.223 174.703 174.900 0.044 0.000 1.270 620 G CA 0.308 45.449 45.100 0.069 0.000 1.277 620 G HN 1.076 nan 8.290 nan 0.000 0.635 621 S N 0.187 115.906 115.700 0.032 0.000 2.576 621 S HA 0.576 5.047 4.470 0.002 0.000 0.276 621 S C 1.979 176.589 174.600 0.016 0.000 1.339 621 S CA 0.958 59.168 58.200 0.017 0.000 1.039 621 S CB 0.963 64.167 63.200 0.007 0.000 0.902 621 S HN 1.670 nan 8.310 nan 0.000 0.516 622 G N 3.321 112.121 108.800 0.001 0.000 2.418 622 G HA2 -0.089 3.872 3.960 0.002 0.000 0.217 622 G HA3 -0.089 3.872 3.960 0.002 0.000 0.217 622 G C 1.362 176.253 174.900 -0.016 0.000 1.158 622 G CA 0.770 45.863 45.100 -0.012 0.000 0.771 622 G HN 0.902 nan 8.290 nan 0.000 0.545 623 G N 0.147 108.936 108.800 -0.018 0.000 2.408 623 G HA2 -0.068 3.894 3.960 0.002 0.000 0.217 623 G HA3 -0.068 3.894 3.960 0.002 0.000 0.217 623 G C 1.763 176.660 174.900 -0.006 0.000 1.150 623 G CA 1.090 46.178 45.100 -0.019 0.000 0.776 623 G HN 0.318 nan 8.290 nan 0.000 0.542 624 V N 0.350 120.265 119.914 0.002 0.000 2.295 624 V HA -0.219 3.902 4.120 0.002 0.000 0.246 624 V C 2.890 179.011 176.094 0.045 0.000 1.049 624 V CA 1.987 64.291 62.300 0.007 0.000 1.024 624 V CB -0.517 31.307 31.823 0.001 0.000 0.648 624 V HN 0.365 nan 8.190 nan 0.000 0.447 625 Q N -0.513 119.333 119.800 0.078 0.000 2.084 625 Q HA -0.269 4.072 4.340 0.002 0.000 0.202 625 Q C 2.386 178.454 176.000 0.113 0.000 0.978 625 Q CA 1.906 57.798 55.803 0.148 0.000 0.844 625 Q CB -0.151 28.652 28.738 0.109 0.000 0.898 625 Q HN 0.722 nan 8.270 nan 0.000 0.426 626 E N 0.536 120.765 120.200 0.048 0.000 2.058 626 E HA -0.215 4.136 4.350 0.002 0.000 0.194 626 E C 1.306 177.925 176.600 0.031 0.000 0.997 626 E CA 1.349 57.765 56.400 0.026 0.000 0.801 626 E CB 0.158 29.852 29.700 -0.011 0.000 0.746 626 E HN 0.291 nan 8.360 nan 0.000 0.450 627 D N -0.016 120.396 120.400 0.019 0.000 2.178 627 D HA -0.127 4.514 4.640 0.002 0.000 0.201 627 D C 1.709 178.016 176.300 0.012 0.000 0.980 627 D CA 1.141 55.142 54.000 0.002 0.000 0.842 627 D CB -0.195 40.594 40.800 -0.018 0.000 0.948 627 D HN 0.276 nan 8.370 nan 0.000 0.472 628 A N 0.458 123.312 122.820 0.057 0.000 1.929 628 A HA -0.051 4.270 4.320 0.002 0.000 0.216 628 A C 2.345 180.031 177.584 0.169 0.000 1.176 628 A CA 0.631 52.725 52.037 0.095 0.000 0.628 628 A CB -0.569 18.536 19.000 0.176 0.000 0.816 628 A HN 0.174 nan 8.150 nan 0.000 0.444 629 L N -1.137 120.192 121.223 0.178 0.000 2.072 629 L HA -0.136 4.205 4.340 0.002 0.000 0.205 629 L C 2.796 179.699 176.870 0.054 0.000 1.079 629 L CA 1.220 56.153 54.840 0.155 0.000 0.752 629 L CB -0.428 41.707 42.059 0.128 0.000 0.906 629 L HN 0.390 nan 8.230 nan 0.000 0.436 630 M N -0.724 118.891 119.600 0.024 0.000 2.213 630 M HA -0.172 4.309 4.480 0.002 0.000 0.263 630 M C 2.484 178.760 176.300 -0.040 0.000 1.062 630 M CA 1.628 56.919 55.300 -0.014 0.000 1.105 630 M CB -0.490 32.102 32.600 -0.014 0.000 1.385 630 M HN 0.325 nan 8.290 nan 0.000 0.417 631 A N 0.099 122.896 122.820 -0.037 0.000 1.877 631 A HA -0.100 4.221 4.320 0.002 0.000 0.216 631 A C 2.218 179.741 177.584 -0.102 0.000 1.186 631 A CA 1.600 53.596 52.037 -0.068 0.000 0.620 631 A CB -0.955 18.001 19.000 -0.072 0.000 0.822 631 A HN 0.293 nan 8.150 nan 0.000 0.443 632 V N -0.143 119.712 119.914 -0.099 0.000 2.343 632 V HA -0.242 3.879 4.120 0.002 0.000 0.247 632 V C 2.759 178.695 176.094 -0.265 0.000 1.051 632 V CA 2.293 64.469 62.300 -0.208 0.000 1.036 632 V CB -0.999 30.671 31.823 -0.256 0.000 0.654 632 V HN 0.548 nan 8.190 nan 0.000 0.451 633 S N -0.117 115.481 115.700 -0.171 0.000 2.374 633 S HA -0.250 4.222 4.470 0.002 0.000 0.227 633 S C 2.099 176.599 174.600 -0.167 0.000 1.037 633 S CA 2.185 60.286 58.200 -0.165 0.000 1.024 633 S CB -0.474 62.672 63.200 -0.090 0.000 0.861 633 S HN 0.735 nan 8.310 nan 0.000 0.456 634 T N 2.274 116.749 114.554 -0.132 0.000 2.674 634 T HA -0.061 4.290 4.350 0.002 0.000 0.265 634 T C 1.780 176.404 174.700 -0.127 0.000 1.039 634 T CA 1.197 63.232 62.100 -0.110 0.000 1.150 634 T CB -0.491 68.324 68.868 -0.087 0.000 0.864 634 T HN 0.159 nan 8.240 nan 0.000 0.427 635 L N 1.072 122.203 121.223 -0.153 0.000 2.042 635 L HA -0.071 4.270 4.340 0.002 0.000 0.210 635 L C 2.494 179.264 176.870 -0.166 0.000 1.076 635 L CA 1.349 56.110 54.840 -0.132 0.000 0.749 635 L CB -0.562 41.425 42.059 -0.120 0.000 0.893 635 L HN 0.084 nan 8.230 nan 0.000 0.432 636 V N -0.606 119.084 119.914 -0.373 0.000 2.295 636 V HA -0.314 3.808 4.120 0.002 0.000 0.246 636 V C 2.414 178.381 176.094 -0.212 0.000 1.049 636 V CA 2.068 64.075 62.300 -0.488 0.000 1.024 636 V CB -0.609 30.787 31.823 -0.711 0.000 0.648 636 V HN 0.487 nan 8.190 nan 0.000 0.447 637 E N -0.366 119.736 120.200 -0.163 0.000 2.153 637 E HA -0.162 4.189 4.350 0.002 0.000 0.194 637 E C 2.106 178.675 176.600 -0.052 0.000 0.988 637 E CA 1.409 57.754 56.400 -0.092 0.000 0.811 637 E CB -0.075 29.578 29.700 -0.080 0.000 0.746 637 E HN 0.491 nan 8.360 nan 0.000 0.466 638 V N 0.540 120.425 119.914 -0.048 0.000 2.500 638 V HA -0.124 3.997 4.120 0.002 0.000 0.243 638 V C 2.109 178.216 176.094 0.023 0.000 1.039 638 V CA 0.947 63.239 62.300 -0.014 0.000 1.053 638 V CB -0.202 31.607 31.823 -0.023 0.000 0.695 638 V HN 0.240 nan 8.190 nan 0.000 0.463 639 L N -0.201 121.044 121.223 0.036 0.000 2.109 639 L HA 0.186 4.528 4.340 0.002 0.000 0.207 639 L C 1.806 178.746 176.870 0.117 0.000 1.086 639 L CA 1.189 56.093 54.840 0.105 0.000 0.760 639 L CB -0.876 41.303 42.059 0.199 0.000 0.910 639 L HN 0.585 nan 8.230 nan 0.000 0.437 640 G N -0.005 108.840 108.800 0.074 0.000 2.556 640 G HA2 -0.370 3.591 3.960 0.002 0.000 0.283 640 G HA3 -0.370 3.591 3.960 0.002 0.000 0.283 640 G C 0.863 175.834 174.900 0.119 0.000 1.177 640 G CA 0.045 45.187 45.100 0.070 0.000 0.978 640 G HN 0.369 nan 8.290 nan 0.000 0.554 641 G N -0.161 108.702 108.800 0.105 0.000 2.498 641 G HA2 0.116 4.077 3.960 0.002 0.000 0.219 641 G HA3 0.116 4.077 3.960 0.002 0.000 0.219 641 G C 1.343 176.319 174.900 0.127 0.000 1.119 641 G CA 1.532 46.699 45.100 0.112 0.000 0.766 641 G HN 0.774 nan 8.290 nan 0.000 0.552 642 E N -0.673 119.611 120.200 0.141 0.000 2.482 642 E HA 0.026 4.377 4.350 0.002 0.000 0.196 642 E C 1.533 178.213 176.600 0.134 0.000 1.047 642 E CA -0.248 56.224 56.400 0.120 0.000 0.869 642 E CB -0.099 29.687 29.700 0.143 0.000 0.836 642 E HN 0.512 nan 8.360 nan 0.000 0.520 643 F N 0.841 120.836 119.950 0.074 0.000 2.502 643 F HA -0.078 4.450 4.527 0.001 0.000 0.298 643 F C 1.722 177.562 175.800 0.067 0.000 1.111 643 F CA 0.340 58.430 58.000 0.149 0.000 1.445 643 F CB 0.152 39.212 39.000 0.101 0.000 1.081 643 F HN 0.023 nan 8.300 nan 0.000 0.558 644 L N 0.934 122.170 121.223 0.022 0.000 2.189 644 L HA -0.244 4.097 4.340 0.002 0.000 0.214 644 L C 2.163 178.912 176.870 -0.201 0.000 1.097 644 L CA 1.709 56.519 54.840 -0.050 0.000 0.764 644 L CB -0.748 41.335 42.059 0.040 0.000 0.900 644 L HN 0.066 nan 8.230 nan 0.000 0.436 645 K N -1.328 118.849 120.400 -0.373 0.000 2.044 645 K HA -0.228 4.093 4.320 0.002 0.000 0.210 645 K C 1.700 177.965 176.600 -0.559 0.000 1.049 645 K CA 2.214 58.173 56.287 -0.547 0.000 0.927 645 K CB -0.421 31.523 32.500 -0.928 0.000 0.713 645 K HN 0.389 nan 8.250 nan 0.000 0.443 646 Y N -0.599 119.435 120.300 -0.444 0.000 2.482 646 Y HA 0.093 4.645 4.550 0.002 0.000 0.270 646 Y C 1.941 177.646 175.900 -0.325 0.000 1.152 646 Y CA -0.112 57.712 58.100 -0.460 0.000 1.292 646 Y CB -0.056 37.925 38.460 -0.799 0.000 1.070 646 Y HN -0.023 nan 8.280 nan 0.000 0.528 647 M N 0.534 120.001 119.600 -0.221 0.000 2.159 647 M HA -0.169 4.313 4.480 0.002 0.000 0.263 647 M C 2.002 178.290 176.300 -0.021 0.000 1.063 647 M CA 1.597 56.792 55.300 -0.174 0.000 1.110 647 M CB -0.255 32.046 32.600 -0.498 0.000 1.374 647 M HN 0.078 nan 8.290 nan 0.000 0.411 648 E N -0.310 119.958 120.200 0.114 0.000 2.031 648 E HA -0.109 4.243 4.350 0.002 0.000 0.193 648 E C 1.915 178.618 176.600 0.173 0.000 0.994 648 E CA 1.676 58.209 56.400 0.221 0.000 0.800 648 E CB -0.443 29.363 29.700 0.177 0.000 0.752 648 E HN 0.550 nan 8.360 nan 0.000 0.447 649 A N -0.321 122.610 122.820 0.184 0.000 2.119 649 A HA -0.101 4.221 4.320 0.002 0.000 0.217 649 A C 1.823 179.628 177.584 0.368 0.000 1.153 649 A CA 0.633 52.813 52.037 0.238 0.000 0.692 649 A CB -0.407 18.744 19.000 0.251 0.000 0.799 649 A HN 0.277 nan 8.150 nan 0.000 0.458 650 F N 1.095 121.160 119.950 0.192 0.000 2.582 650 F HA 0.079 4.607 4.527 0.002 0.000 0.290 650 F C 2.116 177.995 175.800 0.131 0.000 1.115 650 F CA 1.006 59.176 58.000 0.283 0.000 1.445 650 F CB -0.062 39.092 39.000 0.256 0.000 1.126 650 F HN 0.276 nan 8.300 nan 0.000 0.574 651 K N 0.424 120.781 120.400 -0.072 0.000 2.113 651 K HA -0.128 4.193 4.320 0.002 0.000 0.208 651 K C -0.930 175.470 176.600 -0.334 0.000 1.047 651 K CA 1.679 57.856 56.287 -0.182 0.000 0.928 651 K CB -2.115 30.420 32.500 0.059 0.000 0.716 651 K HN 0.218 nan 8.250 nan 0.000 0.446 652 P HA -0.091 nan 4.420 nan 0.000 0.216 652 P C 0.829 177.745 177.300 -0.639 0.000 1.153 652 P CA 1.073 63.828 63.100 -0.576 0.000 0.848 652 P CB -0.070 31.134 31.700 -0.827 0.000 0.787 653 F N -1.327 118.358 119.950 -0.442 0.000 2.367 653 F HA 0.016 4.543 4.527 0.001 0.000 0.298 653 F C 2.136 177.487 175.800 -0.748 0.000 1.094 653 F CA 0.406 58.031 58.000 -0.626 0.000 1.409 653 F CB -1.568 36.968 39.000 -0.774 0.000 1.064 653 F HN -0.170 nan 8.300 nan 0.000 0.528 654 L N 0.675 121.406 121.223 -0.820 0.000 2.093 654 L HA 0.036 4.377 4.340 0.002 0.000 0.208 654 L C 2.374 179.069 176.870 -0.293 0.000 1.085 654 L CA 2.035 56.524 54.840 -0.585 0.000 0.755 654 L CB -1.348 40.364 42.059 -0.580 0.000 0.904 654 L HN 0.120 nan 8.230 nan 0.000 0.435 655 G N -0.248 108.384 108.800 -0.281 0.000 2.418 655 G HA2 -0.230 3.731 3.960 0.002 0.000 0.217 655 G HA3 -0.230 3.731 3.960 0.002 0.000 0.217 655 G C 1.625 176.423 174.900 -0.170 0.000 1.158 655 G CA 1.078 46.068 45.100 -0.183 0.000 0.771 655 G HN 0.479 nan 8.290 nan 0.000 0.545 656 I N 1.319 121.771 120.570 -0.196 0.000 2.286 656 I HA -0.103 4.068 4.170 0.002 0.000 0.248 656 I C 3.018 179.051 176.117 -0.140 0.000 1.115 656 I CA 0.977 62.183 61.300 -0.157 0.000 1.392 656 I CB -0.331 37.593 38.000 -0.128 0.000 1.065 656 I HN 0.247 nan 8.210 nan 0.000 0.418 657 G N 0.938 109.651 108.800 -0.145 0.000 2.402 657 G HA2 -0.154 3.808 3.960 0.002 0.000 0.216 657 G HA3 -0.154 3.808 3.960 0.002 0.000 0.216 657 G C 1.675 176.540 174.900 -0.057 0.000 1.162 657 G CA 0.389 45.434 45.100 -0.093 0.000 0.777 657 G HN 0.282 nan 8.290 nan 0.000 0.539 658 L N -0.386 120.799 121.223 -0.062 0.000 2.217 658 L HA 0.105 4.447 4.340 0.002 0.000 0.211 658 L C 2.646 179.500 176.870 -0.026 0.000 1.107 658 L CA 0.743 55.575 54.840 -0.014 0.000 0.783 658 L CB -0.076 41.976 42.059 -0.012 0.000 0.919 658 L HN 0.121 nan 8.230 nan 0.000 0.442 659 K N -0.344 119.970 120.400 -0.143 0.000 2.418 659 K HA -0.015 4.306 4.320 0.002 0.000 0.195 659 K C 0.601 176.889 176.600 -0.519 0.000 1.035 659 K CA -0.075 55.997 56.287 -0.358 0.000 1.003 659 K CB 0.027 32.355 32.500 -0.286 0.000 0.793 659 K HN 0.062 nan 8.250 nan 0.000 0.494 660 N N 1.038 119.604 118.700 -0.223 0.000 2.549 660 N HA -0.045 4.696 4.740 0.002 0.000 0.267 660 N C 0.052 175.585 175.510 0.040 0.000 1.182 660 N CA 0.209 53.185 53.050 -0.123 0.000 1.019 660 N CB 0.107 38.565 38.487 -0.048 0.000 1.380 660 N HN 0.050 nan 8.380 nan 0.000 0.505 661 Y N 1.068 121.393 120.300 0.042 0.000 2.337 661 Y HA 0.079 4.631 4.550 0.003 0.000 0.293 661 Y C 2.173 178.132 175.900 0.098 0.000 1.123 661 Y CA 0.558 58.697 58.100 0.066 0.000 1.201 661 Y CB -0.884 37.604 38.460 0.047 0.000 1.011 661 Y HN 0.527 nan 8.280 nan 0.000 0.545 662 A N 0.257 123.203 122.820 0.211 0.000 1.898 662 A HA -0.133 4.189 4.320 0.002 0.000 0.216 662 A C 0.856 178.533 177.584 0.155 0.000 1.181 662 A CA 1.063 53.197 52.037 0.162 0.000 0.620 662 A CB -0.514 18.542 19.000 0.094 0.000 0.819 662 A HN 0.418 nan 8.150 nan 0.000 0.442 663 E N -0.048 120.210 120.200 0.096 0.000 2.267 663 E HA 0.301 4.652 4.350 0.002 0.000 0.241 663 E C -0.113 176.486 176.600 -0.002 0.000 0.950 663 E CA -0.536 55.864 56.400 0.000 0.000 0.776 663 E CB 0.377 30.053 29.700 -0.039 0.000 1.207 663 E HN 0.741 nan 8.360 nan 0.000 0.436 664 Y N 0.965 121.273 120.300 0.013 0.000 2.421 664 Y HA -0.138 4.414 4.550 0.002 0.000 0.292 664 Y C 1.793 177.685 175.900 -0.013 0.000 1.136 664 Y CA 0.434 58.543 58.100 0.014 0.000 1.255 664 Y CB -0.099 38.367 38.460 0.009 0.000 0.991 664 Y HN 0.259 nan 8.280 nan 0.000 0.552 665 Q N 1.022 120.598 119.800 -0.372 0.000 2.084 665 Q HA -0.102 4.239 4.340 0.002 0.000 0.202 665 Q C 2.530 178.481 176.000 -0.081 0.000 0.978 665 Q CA 1.650 57.317 55.803 -0.228 0.000 0.844 665 Q CB -0.726 27.832 28.738 -0.300 0.000 0.898 665 Q HN 0.574 nan 8.270 nan 0.000 0.426 666 V N 0.514 120.388 119.914 -0.068 0.000 2.343 666 V HA -0.270 3.851 4.120 0.002 0.000 0.247 666 V C 2.538 178.637 176.094 0.009 0.000 1.051 666 V CA 1.628 63.916 62.300 -0.020 0.000 1.036 666 V CB -0.799 31.012 31.823 -0.020 0.000 0.654 666 V HN 0.454 nan 8.190 nan 0.000 0.451 667 C N -0.173 119.149 119.300 0.038 0.000 2.432 667 C HA -0.133 4.328 4.460 0.002 0.000 0.277 667 C C 2.653 177.681 174.990 0.063 0.000 1.249 667 C CA 1.191 60.252 59.018 0.071 0.000 1.725 667 C CB -1.099 26.728 27.740 0.145 0.000 2.028 667 C HN 0.568 nan 8.230 nan 0.000 0.477 668 L N 1.127 122.395 121.223 0.074 0.000 2.042 668 L HA -0.132 4.209 4.340 0.002 0.000 0.210 668 L C 2.951 179.841 176.870 0.032 0.000 1.076 668 L CA 1.757 56.634 54.840 0.062 0.000 0.749 668 L CB -0.691 41.417 42.059 0.081 0.000 0.893 668 L HN 0.464 nan 8.230 nan 0.000 0.432 669 A N -0.163 122.671 122.820 0.023 0.000 1.902 669 A HA -0.162 4.159 4.320 0.002 0.000 0.217 669 A C 2.527 180.128 177.584 0.028 0.000 1.181 669 A CA 1.712 53.761 52.037 0.019 0.000 0.623 669 A CB -0.738 18.272 19.000 0.017 0.000 0.818 669 A HN 0.400 nan 8.150 nan 0.000 0.443 670 A N -0.578 122.260 122.820 0.030 0.000 1.902 670 A HA 0.011 4.333 4.320 0.002 0.000 0.217 670 A C 2.223 179.820 177.584 0.022 0.000 1.181 670 A CA 1.745 53.800 52.037 0.031 0.000 0.623 670 A CB -0.918 18.086 19.000 0.007 0.000 0.818 670 A HN 0.382 nan 8.150 nan 0.000 0.443 671 V N -0.023 119.898 119.914 0.013 0.000 2.343 671 V HA -0.197 3.924 4.120 0.002 0.000 0.247 671 V C 2.822 178.910 176.094 -0.010 0.000 1.051 671 V CA 1.998 64.293 62.300 -0.008 0.000 1.036 671 V CB -1.461 30.352 31.823 -0.016 0.000 0.654 671 V HN 0.613 nan 8.190 nan 0.000 0.451 672 G N -0.782 108.018 108.800 -0.001 0.000 2.422 672 G HA2 -0.236 3.725 3.960 0.002 0.000 0.218 672 G HA3 -0.236 3.725 3.960 0.002 0.000 0.218 672 G C 1.651 176.545 174.900 -0.010 0.000 1.146 672 G CA 0.891 45.987 45.100 -0.007 0.000 0.769 672 G HN 0.445 nan 8.290 nan 0.000 0.547 673 L N 0.384 121.609 121.223 0.003 0.000 2.093 673 L HA -0.073 4.269 4.340 0.002 0.000 0.208 673 L C 2.987 179.860 176.870 0.005 0.000 1.085 673 L CA 0.653 55.493 54.840 0.001 0.000 0.755 673 L CB -0.152 41.942 42.059 0.059 0.000 0.904 673 L HN 0.135 nan 8.230 nan 0.000 0.435 674 V N -0.124 119.804 119.914 0.022 0.000 2.332 674 V HA -0.259 3.863 4.120 0.002 0.000 0.248 674 V C 2.610 178.713 176.094 0.015 0.000 1.055 674 V CA 1.971 64.288 62.300 0.028 0.000 1.038 674 V CB -1.333 30.504 31.823 0.023 0.000 0.651 674 V HN 0.630 nan 8.190 nan 0.000 0.450 675 G N -0.515 108.283 108.800 -0.002 0.000 2.418 675 G HA2 -0.253 3.708 3.960 0.002 0.000 0.217 675 G HA3 -0.253 3.708 3.960 0.002 0.000 0.217 675 G C 1.271 176.162 174.900 -0.016 0.000 1.158 675 G CA 1.007 46.103 45.100 -0.006 0.000 0.771 675 G HN 0.490 nan 8.290 nan 0.000 0.545 676 D N 0.448 120.827 120.400 -0.034 0.000 2.117 676 D HA -0.052 4.589 4.640 0.002 0.000 0.197 676 D C 2.637 178.897 176.300 -0.068 0.000 0.987 676 D CA 0.470 54.433 54.000 -0.062 0.000 0.829 676 D CB -0.234 40.507 40.800 -0.098 0.000 0.961 676 D HN 0.284 nan 8.370 nan 0.000 0.460 677 L N 0.127 121.316 121.223 -0.057 0.000 2.083 677 L HA -0.171 4.170 4.340 0.002 0.000 0.209 677 L C 2.631 179.514 176.870 0.021 0.000 1.083 677 L CA 0.667 55.490 54.840 -0.029 0.000 0.752 677 L CB -0.226 41.841 42.059 0.013 0.000 0.899 677 L HN 0.120 nan 8.230 nan 0.000 0.433 678 C N -0.293 119.023 119.300 0.028 0.000 2.425 678 C HA -0.141 4.320 4.460 0.002 0.000 0.277 678 C C 2.895 177.904 174.990 0.032 0.000 1.280 678 C CA 0.775 59.820 59.018 0.044 0.000 1.744 678 C CB -0.945 26.820 27.740 0.042 0.000 1.989 678 C HN 0.443 nan 8.230 nan 0.000 0.491 679 R N 0.606 121.113 120.500 0.011 0.000 2.119 679 R HA 0.033 4.374 4.340 0.002 0.000 0.222 679 R C 2.290 178.597 176.300 0.012 0.000 1.088 679 R CA 1.256 57.359 56.100 0.005 0.000 0.984 679 R CB -0.298 29.996 30.300 -0.010 0.000 0.884 679 R HN 0.534 nan 8.270 nan 0.000 0.447 680 A N 1.131 123.956 122.820 0.008 0.000 1.843 680 A HA -0.027 4.294 4.320 0.002 0.000 0.213 680 A C 2.015 179.636 177.584 0.061 0.000 1.202 680 A CA 0.896 52.947 52.037 0.024 0.000 0.607 680 A CB -0.379 18.617 19.000 -0.007 0.000 0.847 680 A HN 0.140 nan 8.150 nan 0.000 0.445 681 L N -1.288 119.982 121.223 0.078 0.000 2.375 681 L HA -0.029 4.312 4.340 0.002 0.000 0.215 681 L C 1.379 178.305 176.870 0.094 0.000 1.108 681 L CA 0.511 55.414 54.840 0.104 0.000 0.830 681 L CB -0.585 41.550 42.059 0.128 0.000 0.959 681 L HN 0.535 nan 8.230 nan 0.000 0.457 682 Q N -0.015 119.832 119.800 0.078 0.000 1.881 682 Q HA -0.386 3.955 4.340 0.002 0.000 0.372 682 Q C 1.535 177.590 176.000 0.092 0.000 0.737 682 Q CA 2.040 57.886 55.803 0.071 0.000 0.914 682 Q CB -1.464 27.306 28.738 0.054 0.000 2.970 682 Q HN 0.538 nan 8.270 nan 0.000 0.753 683 S N 0.646 116.397 115.700 0.084 0.000 2.561 683 S HA 0.031 4.503 4.470 0.002 0.000 0.225 683 S C 1.080 175.750 174.600 0.117 0.000 0.977 683 S CA 0.941 59.198 58.200 0.094 0.000 0.926 683 S CB -0.149 63.092 63.200 0.068 0.000 0.769 683 S HN 0.367 nan 8.310 nan 0.000 0.533 684 N N 1.177 119.954 118.700 0.129 0.000 2.515 684 N HA 0.158 4.900 4.740 0.002 0.000 0.185 684 N C 1.242 176.913 175.510 0.268 0.000 1.109 684 N CA 0.503 53.654 53.050 0.168 0.000 0.903 684 N CB -0.042 38.535 38.487 0.150 0.000 0.969 684 N HN 0.489 nan 8.380 nan 0.000 0.450 685 I N 0.838 121.560 120.570 0.253 0.000 3.251 685 I HA -0.039 4.132 4.170 0.002 0.000 0.277 685 I C 1.773 178.102 176.117 0.353 0.000 1.268 685 I CA 0.143 61.654 61.300 0.352 0.000 1.449 685 I CB 0.144 38.279 38.000 0.226 0.000 1.083 685 I HN -0.020 nan 8.210 nan 0.000 0.464 686 I N 2.656 123.365 120.570 0.230 0.000 2.113 686 I HA -0.261 3.910 4.170 0.002 0.000 0.242 686 I C -0.466 175.709 176.117 0.097 0.000 1.057 686 I CA 1.752 63.152 61.300 0.166 0.000 1.314 686 I CB -1.699 36.369 38.000 0.113 0.000 1.022 686 I HN 0.259 nan 8.210 nan 0.000 0.408 687 P HA -0.101 nan 4.420 nan 0.000 0.239 687 P C 0.900 177.937 177.300 -0.439 0.000 1.184 687 P CA 1.369 64.304 63.100 -0.275 0.000 0.760 687 P CB -0.179 31.250 31.700 -0.452 0.000 0.884 688 F N -2.133 117.865 119.950 0.079 0.000 2.682 688 F HA 0.164 4.692 4.527 0.002 0.000 0.308 688 F C 2.255 178.095 175.800 0.067 0.000 1.093 688 F CA -0.141 57.901 58.000 0.070 0.000 1.244 688 F CB -0.713 38.337 39.000 0.085 0.000 1.052 688 F HN -0.074 nan 8.300 nan 0.000 0.573 689 C N 0.003 119.431 119.300 0.213 0.000 2.466 689 C HA -0.114 4.347 4.460 0.002 0.000 0.278 689 C C 2.476 177.519 174.990 0.088 0.000 1.288 689 C CA 0.731 59.835 59.018 0.142 0.000 1.722 689 C CB -0.582 27.269 27.740 0.185 0.000 2.017 689 C HN 0.382 nan 8.230 nan 0.000 0.488 690 D N 0.667 121.173 120.400 0.177 0.000 2.133 690 D HA -0.189 4.452 4.640 0.002 0.000 0.192 690 D C 2.110 178.465 176.300 0.092 0.000 1.001 690 D CA 1.704 55.813 54.000 0.182 0.000 0.844 690 D CB -0.373 40.500 40.800 0.122 0.000 0.944 690 D HN 0.668 nan 8.370 nan 0.000 0.447 691 E N -0.094 120.148 120.200 0.070 0.000 2.028 691 E HA -0.120 4.231 4.350 0.002 0.000 0.190 691 E C 2.137 178.761 176.600 0.040 0.000 0.984 691 E CA 0.781 57.210 56.400 0.048 0.000 0.800 691 E CB 0.025 29.752 29.700 0.046 0.000 0.758 691 E HN 0.010 nan 8.360 nan 0.000 0.448 692 V N 1.305 121.250 119.914 0.053 0.000 2.287 692 V HA -0.315 3.806 4.120 0.002 0.000 0.248 692 V C 2.558 178.668 176.094 0.026 0.000 1.053 692 V CA 1.808 64.133 62.300 0.041 0.000 1.027 692 V CB -0.443 31.419 31.823 0.065 0.000 0.646 692 V HN 0.456 nan 8.190 nan 0.000 0.447 693 M N -1.059 118.519 119.600 -0.037 0.000 2.149 693 M HA -0.178 4.303 4.480 0.002 0.000 0.261 693 M C 2.273 178.585 176.300 0.020 0.000 1.064 693 M CA 1.653 56.907 55.300 -0.077 0.000 1.102 693 M CB -1.225 31.079 32.600 -0.493 0.000 1.369 693 M HN 0.371 nan 8.290 nan 0.000 0.408 694 Q N 0.305 120.122 119.800 0.028 0.000 2.061 694 Q HA -0.095 4.246 4.340 0.002 0.000 0.204 694 Q C 2.250 178.289 176.000 0.066 0.000 0.984 694 Q CA 1.466 57.299 55.803 0.050 0.000 0.846 694 Q CB -0.545 28.220 28.738 0.044 0.000 0.902 694 Q HN 0.540 nan 8.270 nan 0.000 0.421 695 L N 0.081 121.339 121.223 0.057 0.000 2.046 695 L HA -0.189 4.152 4.340 0.002 0.000 0.208 695 L C 2.466 179.396 176.870 0.102 0.000 1.077 695 L CA 0.824 55.706 54.840 0.069 0.000 0.747 695 L CB -0.516 41.562 42.059 0.032 0.000 0.896 695 L HN 0.163 nan 8.230 nan 0.000 0.432 696 L N -0.694 120.586 121.223 0.095 0.000 2.141 696 L HA -0.193 4.149 4.340 0.002 0.000 0.209 696 L C 2.408 179.372 176.870 0.156 0.000 1.094 696 L CA 1.041 55.937 54.840 0.093 0.000 0.763 696 L CB -0.311 41.793 42.059 0.076 0.000 0.908 696 L HN 0.273 nan 8.230 nan 0.000 0.437 697 L N -0.905 120.429 121.223 0.184 0.000 2.179 697 L HA -0.109 4.232 4.340 0.002 0.000 0.208 697 L C 2.418 179.347 176.870 0.099 0.000 1.096 697 L CA 0.866 55.804 54.840 0.164 0.000 0.779 697 L CB -0.270 41.857 42.059 0.113 0.000 0.922 697 L HN 0.214 nan 8.230 nan 0.000 0.443 698 E N -0.138 120.123 120.200 0.102 0.000 2.106 698 E HA -0.203 4.149 4.350 0.002 0.000 0.192 698 E C 1.809 178.459 176.600 0.082 0.000 0.984 698 E CA 0.643 57.105 56.400 0.104 0.000 0.806 698 E CB -0.063 29.724 29.700 0.145 0.000 0.750 698 E HN 0.376 nan 8.360 nan 0.000 0.458 699 N N 1.169 119.935 118.700 0.110 0.000 2.120 699 N HA -0.152 4.590 4.740 0.002 0.000 0.188 699 N C 1.889 177.318 175.510 -0.134 0.000 1.024 699 N CA 0.977 54.016 53.050 -0.017 0.000 0.852 699 N CB -0.057 38.511 38.487 0.134 0.000 1.003 699 N HN 0.159 nan 8.380 nan 0.000 0.424 700 L N 0.038 121.244 121.223 -0.028 0.000 2.083 700 L HA -0.062 4.279 4.340 0.002 0.000 0.209 700 L C 2.415 179.258 176.870 -0.045 0.000 1.083 700 L CA 1.290 56.118 54.840 -0.020 0.000 0.752 700 L CB -0.664 41.429 42.059 0.056 0.000 0.899 700 L HN 0.228 nan 8.230 nan 0.000 0.433 701 G N -0.936 107.841 108.800 -0.038 0.000 2.534 701 G HA2 -0.182 3.779 3.960 0.002 0.000 0.217 701 G HA3 -0.182 3.779 3.960 0.002 0.000 0.217 701 G C 0.754 175.606 174.900 -0.081 0.000 1.128 701 G CA -0.140 44.936 45.100 -0.039 0.000 0.784 701 G HN 0.247 nan 8.290 nan 0.000 0.542 702 N N 1.238 119.836 118.700 -0.169 0.000 2.442 702 N HA 0.025 4.766 4.740 0.002 0.000 0.265 702 N C 1.389 176.781 175.510 -0.197 0.000 1.138 702 N CA 0.023 52.929 53.050 -0.240 0.000 0.956 702 N CB 0.905 39.046 38.487 -0.577 0.000 1.067 702 N HN 0.549 nan 8.380 nan 0.000 0.474 703 E N 2.486 122.612 120.200 -0.124 0.000 2.427 703 E HA -0.064 4.287 4.350 0.002 0.000 0.196 703 E C -0.114 176.426 176.600 -0.101 0.000 1.028 703 E CA 0.647 56.990 56.400 -0.094 0.000 0.864 703 E CB 0.053 29.716 29.700 -0.060 0.000 0.813 703 E HN 0.423 nan 8.360 nan 0.000 0.514 704 N N 1.002 119.636 118.700 -0.110 0.000 2.230 704 N HA 0.091 4.833 4.740 0.002 0.000 0.202 704 N C -0.575 174.889 175.510 -0.076 0.000 1.119 704 N CA 0.033 53.039 53.050 -0.073 0.000 0.851 704 N CB 1.118 39.593 38.487 -0.021 0.000 0.990 704 N HN -0.004 nan 8.380 nan 0.000 0.497 705 V N 1.285 121.116 119.914 -0.138 0.000 2.498 705 V HA 0.046 4.168 4.120 0.002 0.000 0.279 705 V C 0.595 176.628 176.094 -0.103 0.000 1.048 705 V CA -0.790 61.450 62.300 -0.100 0.000 0.967 705 V CB 0.392 32.112 31.823 -0.171 0.000 0.988 705 V HN 0.309 nan 8.190 nan 0.000 0.473 706 H N 4.690 123.621 119.070 -0.232 0.000 3.115 706 H HA -0.036 4.521 4.556 0.002 0.000 0.324 706 H C 1.694 176.843 175.328 -0.298 0.000 1.007 706 H CA 0.721 56.513 56.048 -0.426 0.000 1.385 706 H CB 0.629 29.734 29.762 -1.095 0.000 1.351 706 H HN 0.685 nan 8.280 nan 0.000 0.592 707 R N 1.927 122.125 120.500 -0.504 0.000 2.200 707 R HA -0.136 4.206 4.340 0.002 0.000 0.234 707 R C 1.642 177.972 176.300 0.049 0.000 1.127 707 R CA 1.506 57.432 56.100 -0.290 0.000 0.989 707 R CB -0.227 29.649 30.300 -0.707 0.000 0.869 707 R HN 0.354 nan 8.270 nan 0.000 0.459 708 S N 0.833 116.640 115.700 0.179 0.000 2.419 708 S HA -0.062 4.409 4.470 0.002 0.000 0.233 708 S C 1.952 176.655 174.600 0.172 0.000 1.016 708 S CA 1.258 59.603 58.200 0.242 0.000 0.974 708 S CB -0.043 63.314 63.200 0.261 0.000 0.786 708 S HN 0.192 nan 8.310 nan 0.000 0.492 709 V N 1.580 121.571 119.914 0.128 0.000 2.379 709 V HA -0.120 4.001 4.120 0.002 0.000 0.245 709 V C 2.317 178.438 176.094 0.045 0.000 1.044 709 V CA 1.547 63.900 62.300 0.087 0.000 1.036 709 V CB -0.528 31.347 31.823 0.086 0.000 0.664 709 V HN 0.399 nan 8.190 nan 0.000 0.453 710 K N 0.847 121.281 120.400 0.056 0.000 2.015 710 K HA -0.204 4.117 4.320 0.002 0.000 0.216 710 K C -0.105 176.497 176.600 0.002 0.000 1.052 710 K CA 2.396 58.703 56.287 0.033 0.000 0.937 710 K CB -1.203 31.347 32.500 0.083 0.000 0.719 710 K HN 0.422 nan 8.250 nan 0.000 0.446 711 P HA -0.165 nan 4.420 nan 0.000 0.218 711 P C 0.854 178.134 177.300 -0.034 0.000 1.149 711 P CA 1.336 64.424 63.100 -0.019 0.000 0.817 711 P CB 0.006 31.689 31.700 -0.028 0.000 0.785 712 Q N -0.304 119.483 119.800 -0.022 0.000 2.119 712 Q HA -0.023 4.319 4.340 0.002 0.000 0.201 712 Q C 2.453 178.379 176.000 -0.123 0.000 0.972 712 Q CA 0.982 56.759 55.803 -0.043 0.000 0.847 712 Q CB -0.719 28.015 28.738 -0.007 0.000 0.903 712 Q HN 0.394 nan 8.270 nan 0.000 0.433 713 I N 0.539 121.000 120.570 -0.182 0.000 2.315 713 I HA -0.260 3.911 4.170 0.002 0.000 0.248 713 I C 2.192 177.924 176.117 -0.642 0.000 1.117 713 I CA 0.795 61.851 61.300 -0.406 0.000 1.404 713 I CB -0.265 37.506 38.000 -0.382 0.000 1.071 713 I HN 0.131 nan 8.210 nan 0.000 0.419 714 L N -0.245 120.780 121.223 -0.329 0.000 2.017 714 L HA -0.188 4.153 4.340 0.002 0.000 0.208 714 L C 2.701 179.534 176.870 -0.063 0.000 1.073 714 L CA 1.234 55.995 54.840 -0.132 0.000 0.745 714 L CB -0.773 41.279 42.059 -0.011 0.000 0.894 714 L HN 0.154 nan 8.230 nan 0.000 0.432 715 S N -0.381 115.276 115.700 -0.071 0.000 2.370 715 S HA -0.190 4.281 4.470 0.002 0.000 0.226 715 S C 1.935 176.514 174.600 -0.036 0.000 1.033 715 S CA 1.402 59.583 58.200 -0.032 0.000 1.011 715 S CB -0.347 62.836 63.200 -0.028 0.000 0.852 715 S HN 0.252 nan 8.310 nan 0.000 0.457 716 V N 1.061 120.913 119.914 -0.103 0.000 2.809 716 V HA -0.058 4.063 4.120 0.002 0.000 0.256 716 V C 1.647 177.755 176.094 0.023 0.000 1.080 716 V CA 1.217 63.472 62.300 -0.074 0.000 1.102 716 V CB -0.680 31.074 31.823 -0.115 0.000 0.705 716 V HN 0.376 nan 8.190 nan 0.000 0.475 717 F N 1.411 121.369 119.950 0.014 0.000 2.171 717 F HA -0.012 4.516 4.527 0.002 0.000 0.300 717 F C 2.399 178.164 175.800 -0.058 0.000 1.090 717 F CA 1.183 59.211 58.000 0.047 0.000 1.293 717 F CB -1.498 37.546 39.000 0.073 0.000 1.013 717 F HN 0.267 nan 8.300 nan 0.000 0.486 718 G N -0.556 108.310 108.800 0.110 0.000 2.402 718 G HA2 -0.205 3.757 3.960 0.002 0.000 0.216 718 G HA3 -0.205 3.757 3.960 0.002 0.000 0.216 718 G C 1.483 176.361 174.900 -0.036 0.000 1.162 718 G CA 0.900 45.992 45.100 -0.014 0.000 0.777 718 G HN 0.234 nan 8.290 nan 0.000 0.539 719 D N 0.547 120.950 120.400 0.005 0.000 2.144 719 D HA -0.049 4.592 4.640 0.002 0.000 0.200 719 D C 2.557 178.870 176.300 0.022 0.000 0.978 719 D CA 0.496 54.501 54.000 0.007 0.000 0.833 719 D CB 0.031 40.838 40.800 0.012 0.000 0.961 719 D HN 0.373 nan 8.370 nan 0.000 0.470 720 I N 1.351 121.959 120.570 0.064 0.000 2.163 720 I HA -0.212 3.959 4.170 0.002 0.000 0.240 720 I C 2.611 178.761 176.117 0.055 0.000 1.081 720 I CA 0.970 62.346 61.300 0.128 0.000 1.353 720 I CB -0.268 37.894 38.000 0.270 0.000 1.054 720 I HN -0.109 nan 8.210 nan 0.000 0.407 721 A N 0.736 123.401 122.820 -0.257 0.000 1.940 721 A HA -0.187 4.134 4.320 0.002 0.000 0.219 721 A C 2.357 179.813 177.584 -0.214 0.000 1.176 721 A CA 1.343 53.010 52.037 -0.615 0.000 0.631 721 A CB -0.762 17.478 19.000 -1.267 0.000 0.814 721 A HN 0.435 nan 8.150 nan 0.000 0.446 722 L N -0.988 120.158 121.223 -0.128 0.000 2.156 722 L HA -0.073 4.268 4.340 0.002 0.000 0.208 722 L C 2.546 179.410 176.870 -0.010 0.000 1.095 722 L CA 1.936 56.743 54.840 -0.055 0.000 0.770 722 L CB -0.890 41.147 42.059 -0.038 0.000 0.914 722 L HN 0.428 nan 8.230 nan 0.000 0.439 723 A N 0.307 123.138 122.820 0.018 0.000 1.903 723 A HA -0.065 4.257 4.320 0.002 0.000 0.213 723 A C 1.986 179.615 177.584 0.075 0.000 1.185 723 A CA 1.121 53.189 52.037 0.051 0.000 0.628 723 A CB -0.302 18.741 19.000 0.072 0.000 0.830 723 A HN 0.556 nan 8.150 nan 0.000 0.446 724 I N -4.109 116.528 120.570 0.111 0.000 3.603 724 I HA 0.430 4.602 4.170 0.002 0.000 0.297 724 I C 1.339 177.524 176.117 0.114 0.000 1.269 724 I CA 0.577 61.963 61.300 0.145 0.000 1.361 724 I CB -0.342 37.801 38.000 0.237 0.000 1.063 724 I HN 0.418 nan 8.210 nan 0.000 0.448 725 G N 2.023 110.869 108.800 0.077 0.000 2.565 725 G HA2 -0.386 3.575 3.960 0.002 0.000 0.295 725 G HA3 -0.386 3.575 3.960 0.002 0.000 0.295 725 G C 0.962 175.902 174.900 0.067 0.000 1.165 725 G CA 0.371 45.490 45.100 0.033 0.000 0.977 725 G HN 0.579 nan 8.290 nan 0.000 0.546 726 G N -0.109 108.692 108.800 0.003 0.000 2.471 726 G HA2 0.104 4.065 3.960 0.002 0.000 0.219 726 G HA3 0.104 4.065 3.960 0.002 0.000 0.219 726 G C 1.373 176.312 174.900 0.066 0.000 1.125 726 G CA 1.686 46.792 45.100 0.010 0.000 0.775 726 G HN 0.863 nan 8.290 nan 0.000 0.548 727 E N -0.048 120.204 120.200 0.086 0.000 2.265 727 E HA -0.101 4.250 4.350 0.002 0.000 0.196 727 E C 1.725 178.394 176.600 0.115 0.000 0.996 727 E CA 0.304 56.754 56.400 0.083 0.000 0.832 727 E CB -0.438 29.329 29.700 0.112 0.000 0.756 727 E HN 0.418 nan 8.360 nan 0.000 0.491 728 F N 1.056 121.051 119.950 0.074 0.000 2.365 728 F HA -0.061 4.467 4.527 0.002 0.000 0.300 728 F C 1.674 177.495 175.800 0.036 0.000 1.090 728 F CA 1.087 59.179 58.000 0.154 0.000 1.408 728 F CB 0.112 39.200 39.000 0.147 0.000 1.060 728 F HN -0.055 nan 8.300 nan 0.000 0.534 729 K N 0.196 120.634 120.400 0.064 0.000 2.173 729 K HA -0.301 4.020 4.320 0.002 0.000 0.207 729 K C 2.165 178.646 176.600 -0.198 0.000 1.046 729 K CA 1.762 58.034 56.287 -0.026 0.000 0.929 729 K CB -0.263 32.234 32.500 -0.005 0.000 0.720 729 K HN 0.260 nan 8.250 nan 0.000 0.453 730 K N 0.145 120.317 120.400 -0.381 0.000 2.103 730 K HA -0.182 4.139 4.320 0.002 0.000 0.207 730 K C 1.405 177.617 176.600 -0.646 0.000 1.048 730 K CA 1.607 57.547 56.287 -0.577 0.000 0.930 730 K CB 0.027 32.017 32.500 -0.850 0.000 0.716 730 K HN 0.207 nan 8.250 nan 0.000 0.444 731 Y N -0.516 119.520 120.300 -0.439 0.000 2.458 731 Y HA 0.043 4.595 4.550 0.002 0.000 0.254 731 Y C 1.590 177.172 175.900 -0.530 0.000 1.120 731 Y CA -0.376 57.384 58.100 -0.566 0.000 1.282 731 Y CB -0.176 37.761 38.460 -0.872 0.000 1.109 731 Y HN -0.028 nan 8.280 nan 0.000 0.526 732 L N 0.753 121.795 121.223 -0.302 0.000 1.978 732 L HA -0.265 4.077 4.340 0.002 0.000 0.218 732 L C 2.336 179.191 176.870 -0.025 0.000 1.075 732 L CA 2.010 56.822 54.840 -0.047 0.000 0.767 732 L CB -0.561 41.548 42.059 0.083 0.000 0.890 732 L HN 0.134 nan 8.230 nan 0.000 0.434 733 E N -0.547 119.623 120.200 -0.049 0.000 2.065 733 E HA -0.220 4.132 4.350 0.002 0.000 0.201 733 E C 2.184 178.749 176.600 -0.059 0.000 1.016 733 E CA 2.020 58.396 56.400 -0.041 0.000 0.818 733 E CB -0.546 29.125 29.700 -0.048 0.000 0.749 733 E HN 0.481 nan 8.360 nan 0.000 0.453 734 V N 0.695 120.557 119.914 -0.087 0.000 2.427 734 V HA -0.187 3.935 4.120 0.002 0.000 0.248 734 V C 2.586 178.600 176.094 -0.132 0.000 1.051 734 V CA 1.166 63.409 62.300 -0.096 0.000 1.048 734 V CB -0.501 31.267 31.823 -0.092 0.000 0.666 734 V HN 0.044 nan 8.190 nan 0.000 0.456 735 V N -0.058 119.744 119.914 -0.186 0.000 2.307 735 V HA -0.229 3.892 4.120 0.002 0.000 0.245 735 V C 2.349 178.376 176.094 -0.112 0.000 1.045 735 V CA 1.905 64.056 62.300 -0.248 0.000 1.024 735 V CB -0.548 31.124 31.823 -0.253 0.000 0.651 735 V HN 0.428 nan 8.190 nan 0.000 0.449 736 L N 0.352 121.556 121.223 -0.032 0.000 2.079 736 L HA -0.180 4.162 4.340 0.002 0.000 0.210 736 L C 2.425 179.269 176.870 -0.045 0.000 1.081 736 L CA 1.425 56.273 54.840 0.015 0.000 0.752 736 L CB -0.702 41.405 42.059 0.080 0.000 0.896 736 L HN 0.407 nan 8.230 nan 0.000 0.433 737 N N -0.813 117.846 118.700 -0.070 0.000 2.270 737 N HA -0.108 4.633 4.740 0.002 0.000 0.181 737 N C 1.817 177.276 175.510 -0.086 0.000 1.016 737 N CA 1.607 54.601 53.050 -0.094 0.000 0.870 737 N CB -0.254 38.186 38.487 -0.078 0.000 0.979 737 N HN 0.304 nan 8.380 nan 0.000 0.431 738 T N 1.924 116.438 114.554 -0.066 0.000 2.770 738 T HA 0.060 4.411 4.350 0.002 0.000 0.263 738 T C 2.161 176.839 174.700 -0.036 0.000 1.039 738 T CA 0.527 62.609 62.100 -0.030 0.000 1.142 738 T CB -0.160 68.717 68.868 0.015 0.000 0.868 738 T HN 0.123 nan 8.240 nan 0.000 0.435 739 L N 0.911 122.090 121.223 -0.074 0.000 2.083 739 L HA -0.137 4.204 4.340 0.002 0.000 0.209 739 L C 2.906 179.751 176.870 -0.042 0.000 1.083 739 L CA 1.368 56.132 54.840 -0.125 0.000 0.752 739 L CB -0.612 41.205 42.059 -0.404 0.000 0.899 739 L HN 0.336 nan 8.230 nan 0.000 0.433 740 Q N 0.088 119.841 119.800 -0.077 0.000 2.050 740 Q HA -0.283 4.058 4.340 0.002 0.000 0.202 740 Q C 2.293 178.232 176.000 -0.102 0.000 0.980 740 Q CA 1.792 57.440 55.803 -0.259 0.000 0.840 740 Q CB -0.032 28.356 28.738 -0.583 0.000 0.898 740 Q HN 0.470 nan 8.270 nan 0.000 0.424 741 Q N -0.700 119.049 119.800 -0.085 0.000 2.079 741 Q HA -0.143 4.199 4.340 0.002 0.000 0.200 741 Q C 1.907 177.903 176.000 -0.006 0.000 0.974 741 Q CA 1.270 57.051 55.803 -0.036 0.000 0.840 741 Q CB -0.150 28.567 28.738 -0.035 0.000 0.898 741 Q HN 0.495 nan 8.270 nan 0.000 0.430 742 A N -0.149 122.661 122.820 -0.016 0.000 1.969 742 A HA -0.113 4.209 4.320 0.002 0.000 0.218 742 A C 2.181 179.742 177.584 -0.037 0.000 1.169 742 A CA 1.563 53.593 52.037 -0.011 0.000 0.635 742 A CB -0.369 18.624 19.000 -0.011 0.000 0.810 742 A HN 0.375 nan 8.150 nan 0.000 0.445 743 S N -0.296 115.335 115.700 -0.114 0.000 2.402 743 S HA -0.140 4.331 4.470 0.002 0.000 0.229 743 S C 1.842 176.382 174.600 -0.101 0.000 1.021 743 S CA 1.310 59.280 58.200 -0.384 0.000 0.974 743 S CB -0.195 62.490 63.200 -0.857 0.000 0.800 743 S HN 0.727 nan 8.310 nan 0.000 0.484 744 Q N 0.576 120.394 119.800 0.030 0.000 2.403 744 Q HA 0.315 4.656 4.340 0.002 0.000 0.203 744 Q C 0.536 176.569 176.000 0.054 0.000 0.932 744 Q CA -0.129 55.711 55.803 0.062 0.000 0.945 744 Q CB 0.021 28.818 28.738 0.099 0.000 1.045 744 Q HN 0.474 nan 8.270 nan 0.000 0.511 745 A N 1.409 124.264 122.820 0.057 0.000 2.498 745 A HA 0.144 4.465 4.320 0.002 0.000 0.239 745 A C -0.202 177.435 177.584 0.090 0.000 1.068 745 A CA 0.344 52.421 52.037 0.067 0.000 0.766 745 A CB 0.398 19.440 19.000 0.070 0.000 1.003 745 A HN 0.249 nan 8.150 nan 0.000 0.497 746 Q N 0.446 120.297 119.800 0.085 0.000 2.345 746 Q HA 0.582 4.923 4.340 0.002 0.000 0.275 746 Q C -1.115 174.936 176.000 0.085 0.000 1.063 746 Q CA -0.726 55.134 55.803 0.094 0.000 0.819 746 Q CB 2.325 31.116 28.738 0.088 0.000 1.356 746 Q HN 1.000 nan 8.270 nan 0.000 0.418 747 V N -0.517 119.450 119.914 0.088 0.000 3.019 747 V HA 0.632 4.753 4.120 0.002 0.000 0.317 747 V C -0.465 175.664 176.094 0.057 0.000 1.094 747 V CA -0.921 61.423 62.300 0.074 0.000 1.000 747 V CB 1.722 33.599 31.823 0.091 0.000 1.060 747 V HN 0.919 nan 8.190 nan 0.000 0.443 748 D N 1.461 121.888 120.400 0.045 0.000 2.362 748 D HA 0.156 4.797 4.640 0.002 0.000 0.242 748 D C 0.694 177.015 176.300 0.034 0.000 1.132 748 D CA -0.474 53.549 54.000 0.037 0.000 0.907 748 D CB 1.275 42.093 40.800 0.031 0.000 1.195 748 D HN 0.517 nan 8.370 nan 0.000 0.429 749 K N 1.301 121.718 120.400 0.029 0.000 2.103 749 K HA -0.093 4.228 4.320 0.002 0.000 0.207 749 K C 2.080 178.699 176.600 0.033 0.000 1.048 749 K CA 0.874 57.174 56.287 0.022 0.000 0.930 749 K CB -0.462 32.049 32.500 0.018 0.000 0.716 749 K HN 0.403 nan 8.250 nan 0.000 0.444 750 S N 1.185 116.910 115.700 0.041 0.000 2.356 750 S HA -0.124 4.347 4.470 0.002 0.000 0.223 750 S C 0.799 175.448 174.600 0.081 0.000 1.032 750 S CA 0.651 58.885 58.200 0.057 0.000 1.005 750 S CB -0.242 62.984 63.200 0.044 0.000 0.867 750 S HN 0.305 nan 8.310 nan 0.000 0.449 751 D N 0.149 120.589 120.400 0.067 0.000 2.349 751 D HA 0.021 4.662 4.640 0.002 0.000 0.266 751 D C 0.389 176.753 176.300 0.106 0.000 1.293 751 D CA 0.037 54.087 54.000 0.083 0.000 0.926 751 D CB 0.256 41.088 40.800 0.054 0.000 1.090 751 D HN 0.284 nan 8.370 nan 0.000 0.502 752 Y N 3.375 123.689 120.300 0.023 0.000 2.242 752 Y HA -0.187 4.364 4.550 0.002 0.000 0.291 752 Y C 1.487 177.410 175.900 0.039 0.000 1.137 752 Y CA 1.543 59.660 58.100 0.027 0.000 1.181 752 Y CB 0.401 38.873 38.460 0.021 0.000 0.989 752 Y HN 0.390 nan 8.280 nan 0.000 0.527 753 D N -0.849 119.665 120.400 0.191 0.000 2.123 753 D HA -0.182 4.459 4.640 0.002 0.000 0.200 753 D C 2.044 178.397 176.300 0.088 0.000 0.976 753 D CA 1.358 55.436 54.000 0.130 0.000 0.831 753 D CB -0.098 40.764 40.800 0.105 0.000 0.974 753 D HN 0.234 nan 8.370 nan 0.000 0.469 754 M N 0.237 119.881 119.600 0.074 0.000 2.229 754 M HA -0.053 4.428 4.480 0.002 0.000 0.264 754 M C 2.042 178.413 176.300 0.119 0.000 1.063 754 M CA 0.639 56.003 55.300 0.107 0.000 1.114 754 M CB -0.457 32.185 32.600 0.070 0.000 1.387 754 M HN -0.012 nan 8.290 nan 0.000 0.420 755 V N 0.774 120.703 119.914 0.025 0.000 2.427 755 V HA -0.242 3.880 4.120 0.002 0.000 0.248 755 V C 1.685 177.753 176.094 -0.043 0.000 1.051 755 V CA 1.741 64.022 62.300 -0.031 0.000 1.048 755 V CB -0.751 30.999 31.823 -0.121 0.000 0.666 755 V HN 0.328 nan 8.190 nan 0.000 0.456 756 D N -1.092 119.279 120.400 -0.049 0.000 2.178 756 D HA -0.175 4.466 4.640 0.002 0.000 0.202 756 D C 1.860 178.198 176.300 0.063 0.000 0.974 756 D CA 1.210 55.201 54.000 -0.014 0.000 0.841 756 D CB -0.289 40.513 40.800 0.003 0.000 0.953 756 D HN 0.595 nan 8.370 nan 0.000 0.478 757 Y N 1.133 121.428 120.300 -0.008 0.000 2.220 757 Y HA -0.043 4.508 4.550 0.003 0.000 0.291 757 Y C 2.063 177.975 175.900 0.020 0.000 1.129 757 Y CA 0.992 59.097 58.100 0.009 0.000 1.161 757 Y CB -0.376 38.085 38.460 0.000 0.000 0.997 757 Y HN -0.070 nan 8.280 nan 0.000 0.522 758 L N 0.357 121.540 121.223 -0.067 0.000 2.042 758 L HA -0.287 4.054 4.340 0.002 0.000 0.210 758 L C 1.921 178.729 176.870 -0.104 0.000 1.076 758 L CA 1.774 56.547 54.840 -0.110 0.000 0.749 758 L CB -0.507 41.569 42.059 0.028 0.000 0.893 758 L HN 0.367 nan 8.230 nan 0.000 0.432 759 N N -0.338 118.325 118.700 -0.060 0.000 2.244 759 N HA -0.229 4.512 4.740 0.002 0.000 0.183 759 N C 1.649 177.128 175.510 -0.052 0.000 1.016 759 N CA 1.140 54.169 53.050 -0.034 0.000 0.866 759 N CB -0.046 38.429 38.487 -0.020 0.000 0.980 759 N HN 0.462 nan 8.380 nan 0.000 0.430 760 E N 0.505 120.647 120.200 -0.096 0.000 2.150 760 E HA -0.113 4.238 4.350 0.002 0.000 0.193 760 E C 1.921 178.436 176.600 -0.141 0.000 0.985 760 E CA 0.388 56.733 56.400 -0.091 0.000 0.814 760 E CB 0.105 29.770 29.700 -0.058 0.000 0.752 760 E HN 0.109 nan 8.360 nan 0.000 0.466 761 L N 0.846 121.899 121.223 -0.284 0.000 2.072 761 L HA -0.075 4.266 4.340 0.002 0.000 0.205 761 L C 2.258 179.110 176.870 -0.031 0.000 1.079 761 L CA 1.431 56.124 54.840 -0.245 0.000 0.752 761 L CB -0.094 41.699 42.059 -0.443 0.000 0.906 761 L HN -0.067 nan 8.230 nan 0.000 0.436 762 R N -0.543 119.984 120.500 0.045 0.000 2.092 762 R HA -0.179 4.162 4.340 0.002 0.000 0.231 762 R C 2.242 178.657 176.300 0.192 0.000 1.119 762 R CA 1.556 57.802 56.100 0.244 0.000 0.970 762 R CB -0.323 30.095 30.300 0.197 0.000 0.864 762 R HN 0.496 nan 8.270 nan 0.000 0.440 763 E N 0.487 120.733 120.200 0.075 0.000 2.085 763 E HA -0.195 4.156 4.350 0.002 0.000 0.194 763 E C 1.890 178.535 176.600 0.075 0.000 0.994 763 E CA 1.768 58.203 56.400 0.058 0.000 0.801 763 E CB 0.099 29.811 29.700 0.020 0.000 0.743 763 E HN 0.342 nan 8.360 nan 0.000 0.453 764 S N -0.328 115.402 115.700 0.051 0.000 2.383 764 S HA -0.154 4.317 4.470 0.002 0.000 0.227 764 S C 2.304 176.943 174.600 0.065 0.000 1.026 764 S CA 1.026 59.249 58.200 0.038 0.000 0.981 764 S CB -0.680 62.519 63.200 -0.002 0.000 0.818 764 S HN 0.392 nan 8.310 nan 0.000 0.472 765 C N 1.631 120.996 119.300 0.109 0.000 2.413 765 C HA 0.062 4.523 4.460 0.002 0.000 0.276 765 C C 2.738 177.878 174.990 0.251 0.000 1.236 765 C CA 0.824 59.916 59.018 0.123 0.000 1.735 765 C CB -1.639 26.210 27.740 0.182 0.000 2.031 765 C HN 0.600 nan 8.230 nan 0.000 0.474 766 L N 0.361 121.810 121.223 0.376 0.000 2.046 766 L HA -0.179 4.162 4.340 0.002 0.000 0.208 766 L C 2.636 179.658 176.870 0.253 0.000 1.077 766 L CA 1.617 56.685 54.840 0.380 0.000 0.747 766 L CB -0.800 41.404 42.059 0.240 0.000 0.896 766 L HN 0.436 nan 8.230 nan 0.000 0.432 767 E N 0.118 120.411 120.200 0.154 0.000 2.085 767 E HA -0.248 4.104 4.350 0.002 0.000 0.194 767 E C 2.315 178.967 176.600 0.088 0.000 0.994 767 E CA 1.176 57.635 56.400 0.100 0.000 0.801 767 E CB -0.174 29.561 29.700 0.058 0.000 0.743 767 E HN 0.516 nan 8.360 nan 0.000 0.453 768 A N 0.858 123.714 122.820 0.060 0.000 1.851 768 A HA -0.224 4.097 4.320 0.002 0.000 0.216 768 A C 1.939 179.533 177.584 0.018 0.000 1.195 768 A CA 1.569 53.612 52.037 0.010 0.000 0.622 768 A CB -1.039 17.932 19.000 -0.047 0.000 0.831 768 A HN 0.259 nan 8.150 nan 0.000 0.444 769 Y N 0.587 120.959 120.300 0.120 0.000 2.114 769 Y HA -0.210 4.341 4.550 0.003 0.000 0.282 769 Y C 3.051 179.011 175.900 0.100 0.000 1.165 769 Y CA 1.748 59.922 58.100 0.123 0.000 1.148 769 Y CB -1.324 37.236 38.460 0.167 0.000 0.972 769 Y HN 0.285 nan 8.280 nan 0.000 0.504 770 T N -0.640 114.069 114.554 0.259 0.000 2.684 770 T HA -0.210 4.141 4.350 0.002 0.000 0.267 770 T C 2.236 176.994 174.700 0.097 0.000 1.036 770 T CA 1.668 63.871 62.100 0.172 0.000 1.148 770 T CB -1.000 67.954 68.868 0.143 0.000 0.863 770 T HN 0.602 nan 8.240 nan 0.000 0.436 771 G N 0.706 109.535 108.800 0.050 0.000 2.422 771 G HA2 -0.129 3.832 3.960 0.002 0.000 0.218 771 G HA3 -0.129 3.832 3.960 0.002 0.000 0.218 771 G C 1.539 176.391 174.900 -0.080 0.000 1.146 771 G CA 0.508 45.595 45.100 -0.023 0.000 0.769 771 G HN 0.496 nan 8.290 nan 0.000 0.547 772 I N 0.130 120.661 120.570 -0.066 0.000 2.233 772 I HA -0.117 4.054 4.170 0.002 0.000 0.243 772 I C 2.753 178.885 176.117 0.024 0.000 1.093 772 I CA 0.418 61.660 61.300 -0.096 0.000 1.380 772 I CB -0.190 37.810 38.000 -0.000 0.000 1.067 772 I HN 0.019 nan 8.210 nan 0.000 0.413 773 V N 0.302 120.280 119.914 0.107 0.000 2.295 773 V HA -0.259 3.862 4.120 0.002 0.000 0.246 773 V C 2.488 178.611 176.094 0.048 0.000 1.049 773 V CA 1.640 64.010 62.300 0.116 0.000 1.024 773 V CB -0.641 31.291 31.823 0.181 0.000 0.648 773 V HN 0.439 nan 8.190 nan 0.000 0.447 774 Q N 0.121 119.949 119.800 0.047 0.000 2.079 774 Q HA -0.095 4.246 4.340 0.002 0.000 0.200 774 Q C 2.423 178.423 176.000 -0.000 0.000 0.974 774 Q CA 1.771 57.590 55.803 0.027 0.000 0.840 774 Q CB -0.793 27.962 28.738 0.030 0.000 0.898 774 Q HN 0.681 nan 8.270 nan 0.000 0.430 775 G N 0.901 109.686 108.800 -0.024 0.000 2.440 775 G HA2 -0.203 3.758 3.960 0.002 0.000 0.218 775 G HA3 -0.203 3.758 3.960 0.002 0.000 0.218 775 G C 1.461 176.347 174.900 -0.023 0.000 1.154 775 G CA 0.511 45.586 45.100 -0.042 0.000 0.767 775 G HN 0.274 nan 8.290 nan 0.000 0.552 776 L N -0.115 121.105 121.223 -0.005 0.000 2.418 776 L HA 0.173 4.514 4.340 0.002 0.000 0.218 776 L C 2.609 179.487 176.870 0.014 0.000 1.125 776 L CA 0.641 55.491 54.840 0.016 0.000 0.835 776 L CB -0.088 42.011 42.059 0.067 0.000 0.953 776 L HN 0.204 nan 8.230 nan 0.000 0.454 777 K N 0.524 120.927 120.400 0.004 0.000 2.031 777 K HA 0.078 4.399 4.320 0.002 0.000 0.205 777 K C 0.936 177.553 176.600 0.029 0.000 1.049 777 K CA 0.923 57.214 56.287 0.007 0.000 0.939 777 K CB 0.044 32.533 32.500 -0.017 0.000 0.717 777 K HN 0.236 nan 8.250 nan 0.000 0.438 778 G N 0.556 109.360 108.800 0.007 0.000 2.756 778 G HA2 -0.168 3.793 3.960 0.002 0.000 0.678 778 G HA3 -0.168 3.793 3.960 0.002 0.000 0.678 778 G C -1.260 173.651 174.900 0.019 0.000 1.349 778 G CA -0.180 44.923 45.100 0.006 0.000 0.847 778 G HN 0.367 nan 8.290 nan 0.000 0.548 779 D N 1.743 122.153 120.400 0.018 0.000 2.736 779 D HA 0.365 5.006 4.640 0.002 0.000 0.293 779 D C 0.728 177.044 176.300 0.026 0.000 1.241 779 D CA 0.062 54.075 54.000 0.020 0.000 0.965 779 D CB 0.687 41.494 40.800 0.012 0.000 0.992 779 D HN 0.410 nan 8.370 nan 0.000 0.510 780 Q N -0.217 119.604 119.800 0.035 0.000 2.962 780 Q HA 0.338 4.679 4.340 0.002 0.000 0.282 780 Q C 1.127 177.146 176.000 0.032 0.000 1.058 780 Q CA -0.694 55.131 55.803 0.037 0.000 0.854 780 Q CB 1.354 30.125 28.738 0.055 0.000 1.441 780 Q HN 0.079 nan 8.270 nan 0.000 0.497 781 E N 0.734 120.951 120.200 0.028 0.000 2.015 781 E HA -0.108 4.243 4.350 0.002 0.000 0.191 781 E C -0.052 176.560 176.600 0.019 0.000 0.991 781 E CA 0.928 57.341 56.400 0.022 0.000 0.802 781 E CB 0.099 29.809 29.700 0.018 0.000 0.759 781 E HN 0.385 nan 8.360 nan 0.000 0.447 782 N N -0.257 118.453 118.700 0.017 0.000 2.477 782 N HA 0.218 4.959 4.740 0.002 0.000 0.284 782 N C -1.131 174.388 175.510 0.014 0.000 1.182 782 N CA -0.598 52.456 53.050 0.007 0.000 0.949 782 N CB 1.984 40.468 38.487 -0.006 0.000 1.204 782 N HN -0.185 nan 8.380 nan 0.000 0.526 783 V N 1.018 120.929 119.914 -0.004 0.000 2.637 783 V HA -0.001 4.121 4.120 0.002 0.000 0.296 783 V C 0.160 176.261 176.094 0.012 0.000 1.046 783 V CA 0.065 62.362 62.300 -0.006 0.000 1.066 783 V CB 0.198 31.984 31.823 -0.061 0.000 0.968 783 V HN 0.640 nan 8.190 nan 0.000 0.483 784 H N 7.157 126.208 119.070 -0.031 0.000 2.803 784 H HA 0.189 4.746 4.556 0.002 0.000 0.330 784 H C -1.659 173.659 175.328 -0.017 0.000 1.057 784 H CA -1.273 54.766 56.048 -0.014 0.000 1.458 784 H CB 1.365 31.126 29.762 -0.002 0.000 1.470 784 H HN 0.408 nan 8.280 nan 0.000 0.560 785 P HA -0.156 nan 4.420 nan 0.000 0.224 785 P C 0.603 177.956 177.300 0.090 0.000 1.142 785 P CA 1.023 64.097 63.100 -0.042 0.000 0.778 785 P CB 0.276 31.908 31.700 -0.113 0.000 0.764 786 D N -1.061 119.486 120.400 0.245 0.000 2.218 786 D HA -0.116 4.525 4.640 0.002 0.000 0.204 786 D C 1.807 178.194 176.300 0.145 0.000 0.976 786 D CA 0.969 55.096 54.000 0.212 0.000 0.853 786 D CB -0.537 40.400 40.800 0.228 0.000 0.939 786 D HN 0.130 nan 8.370 nan 0.000 0.481 787 V N -1.776 118.200 119.914 0.104 0.000 2.913 787 V HA -0.119 4.003 4.120 0.002 0.000 0.260 787 V C 1.899 178.127 176.094 0.223 0.000 1.098 787 V CA 0.733 63.081 62.300 0.080 0.000 1.121 787 V CB -0.578 31.149 31.823 -0.160 0.000 0.714 787 V HN 0.044 nan 8.190 nan 0.000 0.487 788 M N 0.175 119.895 119.600 0.199 0.000 2.549 788 M HA 0.107 4.589 4.480 0.002 0.000 0.260 788 M C 1.886 178.308 176.300 0.203 0.000 1.076 788 M CA 1.224 56.678 55.300 0.257 0.000 1.090 788 M CB -1.125 31.569 32.600 0.157 0.000 1.418 788 M HN 0.431 nan 8.290 nan 0.000 0.486 789 L N -1.002 120.327 121.223 0.178 0.000 2.418 789 L HA -0.042 4.299 4.340 0.002 0.000 0.218 789 L C 2.000 178.966 176.870 0.159 0.000 1.125 789 L CA 0.179 55.103 54.840 0.139 0.000 0.835 789 L CB -0.298 41.834 42.059 0.120 0.000 0.953 789 L HN 0.034 nan 8.230 nan 0.000 0.454 790 V N -1.334 118.723 119.914 0.238 0.000 3.354 790 V HA -0.075 4.046 4.120 0.002 0.000 0.258 790 V C 2.269 178.444 176.094 0.135 0.000 1.159 790 V CA 0.482 62.932 62.300 0.249 0.000 1.125 790 V CB -0.127 31.916 31.823 0.366 0.000 0.774 790 V HN 0.389 nan 8.190 nan 0.000 0.464 791 Q N 1.198 121.072 119.800 0.124 0.000 2.077 791 Q HA -0.207 4.134 4.340 0.002 0.000 0.206 791 Q C -0.096 175.800 176.000 -0.173 0.000 0.989 791 Q CA 2.423 58.105 55.803 -0.202 0.000 0.853 791 Q CB -1.321 27.422 28.738 0.008 0.000 0.907 791 Q HN 0.469 nan 8.270 nan 0.000 0.418 792 P HA -0.101 nan 4.420 nan 0.000 0.223 792 P C 0.627 177.905 177.300 -0.038 0.000 1.144 792 P CA 1.085 64.161 63.100 -0.040 0.000 0.783 792 P CB -0.074 31.621 31.700 -0.008 0.000 0.771 793 R N -1.291 119.188 120.500 -0.034 0.000 2.280 793 R HA 0.138 4.479 4.340 0.002 0.000 0.195 793 R C 1.884 178.164 176.300 -0.033 0.000 0.935 793 R CA 0.285 56.387 56.100 0.003 0.000 1.033 793 R CB -1.097 29.239 30.300 0.059 0.000 0.964 793 R HN 0.175 nan 8.270 nan 0.000 0.489 794 V N 1.713 121.536 119.914 -0.152 0.000 2.332 794 V HA -0.276 3.845 4.120 0.002 0.000 0.248 794 V C 2.486 178.511 176.094 -0.114 0.000 1.055 794 V CA 2.140 64.311 62.300 -0.214 0.000 1.038 794 V CB -0.449 31.111 31.823 -0.438 0.000 0.651 794 V HN 0.382 nan 8.190 nan 0.000 0.450 795 E N -0.372 119.787 120.200 -0.067 0.000 2.058 795 E HA -0.288 4.063 4.350 0.002 0.000 0.194 795 E C 2.106 178.722 176.600 0.026 0.000 0.997 795 E CA 1.878 58.266 56.400 -0.020 0.000 0.801 795 E CB -0.237 29.462 29.700 -0.000 0.000 0.746 795 E HN 0.585 nan 8.360 nan 0.000 0.450 796 F N 1.069 120.976 119.950 -0.071 0.000 2.113 796 F HA -0.129 4.399 4.527 0.002 0.000 0.297 796 F C 1.980 177.756 175.800 -0.040 0.000 1.103 796 F CA 1.461 59.433 58.000 -0.047 0.000 1.248 796 F CB -0.165 38.806 39.000 -0.050 0.000 0.999 796 F HN 0.002 nan 8.300 nan 0.000 0.475 797 I N 0.180 120.714 120.570 -0.061 0.000 2.163 797 I HA -0.344 3.827 4.170 0.002 0.000 0.243 797 I C 2.318 178.364 176.117 -0.119 0.000 1.085 797 I CA 1.466 62.648 61.300 -0.195 0.000 1.347 797 I CB -0.581 37.224 38.000 -0.326 0.000 1.044 797 I HN 0.191 nan 8.210 nan 0.000 0.408 798 L N -0.469 120.691 121.223 -0.105 0.000 2.156 798 L HA -0.137 4.205 4.340 0.002 0.000 0.208 798 L C 2.592 179.412 176.870 -0.083 0.000 1.095 798 L CA 0.853 55.645 54.840 -0.081 0.000 0.770 798 L CB -0.400 41.619 42.059 -0.066 0.000 0.914 798 L HN 0.157 nan 8.230 nan 0.000 0.439 799 S N -0.348 115.286 115.700 -0.110 0.000 2.368 799 S HA -0.154 4.317 4.470 0.002 0.000 0.224 799 S C 1.771 176.318 174.600 -0.088 0.000 1.029 799 S CA 1.002 59.140 58.200 -0.104 0.000 0.988 799 S CB -0.306 62.816 63.200 -0.130 0.000 0.838 799 S HN 0.355 nan 8.310 nan 0.000 0.462 800 F N 2.565 122.286 119.950 -0.382 0.000 2.102 800 F HA -0.069 4.459 4.527 0.002 0.000 0.298 800 F C 1.791 177.532 175.800 -0.098 0.000 1.105 800 F CA 1.001 58.819 58.000 -0.303 0.000 1.239 800 F CB -0.639 38.105 39.000 -0.426 0.000 0.991 800 F HN 0.121 nan 8.300 nan 0.000 0.474 801 I N 0.107 120.531 120.570 -0.244 0.000 2.226 801 I HA -0.286 3.885 4.170 0.002 0.000 0.245 801 I C 2.217 178.225 176.117 -0.180 0.000 1.100 801 I CA 1.868 63.001 61.300 -0.279 0.000 1.374 801 I CB -0.649 37.258 38.000 -0.155 0.000 1.057 801 I HN 0.115 nan 8.210 nan 0.000 0.413 802 D N 0.200 120.541 120.400 -0.097 0.000 2.144 802 D HA -0.282 4.359 4.640 0.002 0.000 0.199 802 D C 2.122 178.408 176.300 -0.024 0.000 0.984 802 D CA 1.527 55.498 54.000 -0.049 0.000 0.834 802 D CB -0.048 40.738 40.800 -0.024 0.000 0.955 802 D HN 0.390 nan 8.370 nan 0.000 0.465 803 H N -0.536 118.474 119.070 -0.099 0.000 2.423 803 H HA 0.056 4.614 4.556 0.002 0.000 0.297 803 H C 2.068 177.347 175.328 -0.082 0.000 1.075 803 H CA 1.399 57.407 56.048 -0.065 0.000 1.342 803 H CB -0.164 29.583 29.762 -0.026 0.000 1.395 803 H HN 0.188 nan 8.280 nan 0.000 0.530 804 I N 0.023 120.491 120.570 -0.170 0.000 2.252 804 I HA -0.238 3.933 4.170 0.002 0.000 0.245 804 I C 2.669 178.744 176.117 -0.069 0.000 1.102 804 I CA 0.996 62.178 61.300 -0.197 0.000 1.385 804 I CB -0.441 37.357 38.000 -0.336 0.000 1.064 804 I HN 0.421 nan 8.210 nan 0.000 0.414 805 A N 0.787 123.556 122.820 -0.086 0.000 1.940 805 A HA -0.154 4.167 4.320 0.002 0.000 0.219 805 A C 2.376 179.983 177.584 0.038 0.000 1.176 805 A CA 1.930 53.960 52.037 -0.011 0.000 0.631 805 A CB -1.390 17.580 19.000 -0.050 0.000 0.814 805 A HN 0.479 nan 8.150 nan 0.000 0.446 806 G N -1.144 107.621 108.800 -0.059 0.000 2.534 806 G HA2 -0.052 3.909 3.960 0.002 0.000 0.217 806 G HA3 -0.052 3.909 3.960 0.002 0.000 0.217 806 G C 0.432 175.250 174.900 -0.136 0.000 1.128 806 G CA 0.615 45.662 45.100 -0.090 0.000 0.784 806 G HN 0.464 nan 8.290 nan 0.000 0.542 807 D N 0.389 120.692 120.400 -0.162 0.000 2.339 807 D HA 0.156 4.797 4.640 0.002 0.000 0.241 807 D C 1.006 177.131 176.300 -0.292 0.000 1.183 807 D CA -0.199 53.683 54.000 -0.196 0.000 0.859 807 D CB 0.922 41.603 40.800 -0.198 0.000 1.067 807 D HN 0.273 nan 8.370 nan 0.000 0.484 808 E N 1.867 121.894 120.200 -0.289 0.000 2.204 808 E HA -0.150 4.201 4.350 0.002 0.000 0.195 808 E C 0.276 176.598 176.600 -0.463 0.000 0.990 808 E CA 0.738 56.908 56.400 -0.384 0.000 0.821 808 E CB 0.344 29.923 29.700 -0.202 0.000 0.750 808 E HN 0.456 nan 8.360 nan 0.000 0.477 809 D N 0.573 120.789 120.400 -0.306 0.000 2.325 809 D HA -0.021 4.621 4.640 0.002 0.000 0.234 809 D C 0.280 176.489 176.300 -0.151 0.000 1.122 809 D CA 0.175 54.052 54.000 -0.205 0.000 0.850 809 D CB -0.379 40.340 40.800 -0.134 0.000 0.921 809 D HN 0.459 nan 8.370 nan 0.000 0.513 810 H N -1.005 118.019 119.070 -0.075 0.000 2.679 810 H HA 0.290 4.847 4.556 0.002 0.000 0.369 810 H C -0.100 175.193 175.328 -0.059 0.000 1.178 810 H CA -0.139 55.864 56.048 -0.075 0.000 1.419 810 H CB 0.515 30.222 29.762 -0.091 0.000 1.458 810 H HN -0.253 nan 8.280 nan 0.000 0.605 811 T N 1.291 115.931 114.554 0.143 0.000 2.944 811 T HA 0.017 4.368 4.350 0.002 0.000 0.284 811 T C 0.682 175.408 174.700 0.043 0.000 1.010 811 T CA -0.772 61.373 62.100 0.075 0.000 1.025 811 T CB 1.307 70.191 68.868 0.026 0.000 1.079 811 T HN 0.566 nan 8.240 nan 0.000 0.516 812 D N 1.455 121.874 120.400 0.031 0.000 2.178 812 D HA -0.031 4.610 4.640 0.002 0.000 0.201 812 D C 2.253 178.545 176.300 -0.014 0.000 0.980 812 D CA 1.299 55.301 54.000 0.002 0.000 0.842 812 D CB -0.507 40.299 40.800 0.011 0.000 0.948 812 D HN 0.758 nan 8.370 nan 0.000 0.472 813 G N 0.197 108.994 108.800 -0.005 0.000 2.408 813 G HA2 -0.153 3.808 3.960 0.002 0.000 0.217 813 G HA3 -0.153 3.808 3.960 0.002 0.000 0.217 813 G C 1.817 176.707 174.900 -0.017 0.000 1.150 813 G CA 0.576 45.673 45.100 -0.006 0.000 0.776 813 G HN 0.239 nan 8.290 nan 0.000 0.542 814 V N 0.517 120.415 119.914 -0.028 0.000 2.323 814 V HA -0.129 3.993 4.120 0.002 0.000 0.244 814 V C 2.976 179.010 176.094 -0.100 0.000 1.041 814 V CA 1.224 63.494 62.300 -0.051 0.000 1.025 814 V CB -0.392 31.402 31.823 -0.047 0.000 0.656 814 V HN 0.219 nan 8.190 nan 0.000 0.451 815 V N 0.617 120.441 119.914 -0.149 0.000 2.282 815 V HA -0.324 3.797 4.120 0.002 0.000 0.249 815 V C 2.773 178.805 176.094 -0.103 0.000 1.057 815 V CA 2.277 64.457 62.300 -0.200 0.000 1.032 815 V CB -1.229 30.446 31.823 -0.248 0.000 0.645 815 V HN 0.564 nan 8.190 nan 0.000 0.447 816 A N -1.086 121.700 122.820 -0.057 0.000 1.883 816 A HA -0.292 4.030 4.320 0.002 0.000 0.217 816 A C 2.341 179.929 177.584 0.006 0.000 1.186 816 A CA 2.407 54.434 52.037 -0.016 0.000 0.624 816 A CB -1.217 17.778 19.000 -0.007 0.000 0.822 816 A HN 0.604 nan 8.150 nan 0.000 0.444 817 C N -1.177 118.124 119.300 0.002 0.000 2.435 817 C HA 0.128 4.589 4.460 0.002 0.000 0.279 817 C C 3.295 178.307 174.990 0.037 0.000 1.321 817 C CA 0.576 59.613 59.018 0.031 0.000 1.752 817 C CB -1.361 26.401 27.740 0.037 0.000 1.959 817 C HN 0.700 nan 8.230 nan 0.000 0.500 818 A N 0.676 123.486 122.820 -0.017 0.000 1.873 818 A HA 0.089 4.410 4.320 0.002 0.000 0.215 818 A C 2.394 179.975 177.584 -0.005 0.000 1.186 818 A CA 1.975 53.988 52.037 -0.040 0.000 0.616 818 A CB -1.005 17.918 19.000 -0.129 0.000 0.823 818 A HN 0.540 nan 8.150 nan 0.000 0.442 819 A N -0.431 122.386 122.820 -0.005 0.000 1.940 819 A HA 0.092 4.413 4.320 0.002 0.000 0.219 819 A C 2.406 180.064 177.584 0.123 0.000 1.176 819 A CA 2.020 54.074 52.037 0.029 0.000 0.631 819 A CB -1.426 17.587 19.000 0.021 0.000 0.814 819 A HN 0.746 nan 8.150 nan 0.000 0.446 820 G N -0.358 108.538 108.800 0.159 0.000 2.446 820 G HA2 -0.218 3.743 3.960 0.002 0.000 0.217 820 G HA3 -0.218 3.743 3.960 0.002 0.000 0.217 820 G C 1.597 176.670 174.900 0.288 0.000 1.168 820 G CA 0.997 46.258 45.100 0.268 0.000 0.771 820 G HN 0.433 nan 8.290 nan 0.000 0.551 821 L N 0.002 121.332 121.223 0.177 0.000 2.046 821 L HA -0.018 4.323 4.340 0.002 0.000 0.208 821 L C 2.884 179.829 176.870 0.125 0.000 1.077 821 L CA 0.892 55.831 54.840 0.165 0.000 0.747 821 L CB -0.204 41.941 42.059 0.144 0.000 0.896 821 L HN 0.244 nan 8.230 nan 0.000 0.432 822 I N -0.551 120.059 120.570 0.067 0.000 2.163 822 I HA -0.256 3.915 4.170 0.002 0.000 0.243 822 I C 2.551 178.637 176.117 -0.051 0.000 1.085 822 I CA 1.504 62.807 61.300 0.005 0.000 1.347 822 I CB -0.849 37.133 38.000 -0.030 0.000 1.044 822 I HN 0.306 nan 8.210 nan 0.000 0.408 823 G N 0.288 109.020 108.800 -0.113 0.000 2.422 823 G HA2 -0.237 3.724 3.960 0.002 0.000 0.218 823 G HA3 -0.237 3.724 3.960 0.002 0.000 0.218 823 G C 1.290 176.035 174.900 -0.258 0.000 1.146 823 G CA 0.988 45.772 45.100 -0.527 0.000 0.769 823 G HN 0.308 nan 8.290 nan 0.000 0.547 824 D N 0.655 121.151 120.400 0.160 0.000 2.097 824 D HA -0.066 4.575 4.640 0.002 0.000 0.195 824 D C 2.665 179.045 176.300 0.134 0.000 0.989 824 D CA 0.524 54.668 54.000 0.239 0.000 0.827 824 D CB -0.303 40.651 40.800 0.257 0.000 0.966 824 D HN 0.300 nan 8.370 nan 0.000 0.456 825 L N 0.494 121.806 121.223 0.148 0.000 2.079 825 L HA -0.189 4.153 4.340 0.002 0.000 0.210 825 L C 2.748 179.729 176.870 0.185 0.000 1.081 825 L CA 0.786 55.774 54.840 0.247 0.000 0.752 825 L CB -0.416 41.764 42.059 0.201 0.000 0.896 825 L HN 0.112 nan 8.230 nan 0.000 0.433 826 C N -0.435 118.888 119.300 0.038 0.000 2.432 826 C HA -0.173 4.289 4.460 0.002 0.000 0.277 826 C C 3.086 178.062 174.990 -0.022 0.000 1.249 826 C CA 1.608 60.614 59.018 -0.019 0.000 1.725 826 C CB -1.101 26.556 27.740 -0.138 0.000 2.028 826 C HN 0.678 nan 8.230 nan 0.000 0.477 827 T N -0.727 113.806 114.554 -0.035 0.000 2.995 827 T HA 0.070 4.421 4.350 0.002 0.000 0.269 827 T C 1.669 176.334 174.700 -0.059 0.000 1.091 827 T CA 1.456 63.546 62.100 -0.017 0.000 1.128 827 T CB -0.205 68.698 68.868 0.059 0.000 0.891 827 T HN 0.514 nan 8.240 nan 0.000 0.492 828 A N 0.352 123.094 122.820 -0.131 0.000 1.924 828 A HA 0.471 4.792 4.320 0.002 0.000 0.211 828 A C 1.606 178.875 177.584 -0.525 0.000 1.198 828 A CA 0.306 52.099 52.037 -0.406 0.000 0.657 828 A CB -0.367 18.230 19.000 -0.672 0.000 0.852 828 A HN 0.490 nan 8.150 nan 0.000 0.454 829 F N -1.030 118.931 119.950 0.019 0.000 2.717 829 F HA 0.439 4.968 4.527 0.002 0.000 0.297 829 F C 1.608 177.409 175.800 0.002 0.000 1.113 829 F CA 0.408 58.416 58.000 0.013 0.000 1.319 829 F CB 0.160 39.167 39.000 0.012 0.000 1.097 829 F HN 0.484 nan 8.300 nan 0.000 0.595 830 G N 0.807 109.680 108.800 0.122 0.000 2.527 830 G HA2 -0.322 3.639 3.960 0.002 0.000 0.227 830 G HA3 -0.322 3.639 3.960 0.002 0.000 0.227 830 G C 0.778 175.711 174.900 0.055 0.000 1.291 830 G CA 0.054 45.192 45.100 0.063 0.000 0.904 830 G HN 0.179 nan 8.290 nan 0.000 0.577 831 K N -0.043 120.377 120.400 0.033 0.000 2.280 831 K HA -0.092 4.229 4.320 0.002 0.000 0.202 831 K C 1.898 178.509 176.600 0.018 0.000 1.047 831 K CA 1.812 58.109 56.287 0.017 0.000 0.942 831 K CB -0.245 32.261 32.500 0.010 0.000 0.739 831 K HN 0.435 nan 8.250 nan 0.000 0.457 832 D N 0.160 120.579 120.400 0.032 0.000 2.149 832 D HA -0.152 4.490 4.640 0.002 0.000 0.198 832 D C 1.811 178.116 176.300 0.008 0.000 0.990 832 D CA 0.920 54.932 54.000 0.019 0.000 0.839 832 D CB -0.136 40.679 40.800 0.024 0.000 0.948 832 D HN -0.003 nan 8.370 nan 0.000 0.460 833 V N 1.089 121.019 119.914 0.028 0.000 2.332 833 V HA -0.238 3.883 4.120 0.002 0.000 0.248 833 V C 2.524 178.616 176.094 -0.004 0.000 1.055 833 V CA 1.241 63.550 62.300 0.014 0.000 1.038 833 V CB -0.526 31.330 31.823 0.054 0.000 0.651 833 V HN 0.162 nan 8.190 nan 0.000 0.450 834 L N 0.277 121.497 121.223 -0.004 0.000 2.013 834 L HA -0.235 4.106 4.340 0.002 0.000 0.212 834 L C 2.422 179.285 176.870 -0.012 0.000 1.073 834 L CA 2.116 56.949 54.840 -0.013 0.000 0.753 834 L CB -0.664 41.386 42.059 -0.014 0.000 0.890 834 L HN 0.217 nan 8.230 nan 0.000 0.432 835 K N -0.694 119.699 120.400 -0.011 0.000 2.057 835 K HA -0.125 4.197 4.320 0.002 0.000 0.207 835 K C 2.054 178.644 176.600 -0.017 0.000 1.049 835 K CA 1.777 58.056 56.287 -0.013 0.000 0.931 835 K CB -0.324 32.169 32.500 -0.011 0.000 0.714 835 K HN 0.379 nan 8.250 nan 0.000 0.440 836 L N 0.429 121.640 121.223 -0.019 0.000 2.217 836 L HA -0.125 4.217 4.340 0.002 0.000 0.211 836 L C 2.242 179.098 176.870 -0.023 0.000 1.107 836 L CA 0.495 55.320 54.840 -0.025 0.000 0.783 836 L CB -0.300 41.737 42.059 -0.035 0.000 0.919 836 L HN -0.031 nan 8.230 nan 0.000 0.442 837 V N -0.222 119.681 119.914 -0.019 0.000 2.323 837 V HA -0.212 3.909 4.120 0.002 0.000 0.244 837 V C 2.275 178.366 176.094 -0.005 0.000 1.041 837 V CA 1.578 63.871 62.300 -0.013 0.000 1.025 837 V CB -0.368 31.448 31.823 -0.012 0.000 0.656 837 V HN 0.428 nan 8.190 nan 0.000 0.451 838 E N 0.225 120.419 120.200 -0.009 0.000 2.338 838 E HA -0.120 4.232 4.350 0.002 0.000 0.197 838 E C 2.060 178.643 176.600 -0.027 0.000 1.007 838 E CA 1.040 57.428 56.400 -0.020 0.000 0.849 838 E CB -0.165 29.519 29.700 -0.027 0.000 0.774 838 E HN 0.598 nan 8.360 nan 0.000 0.506 839 A N 0.992 123.800 122.820 -0.021 0.000 2.218 839 A HA 0.028 4.350 4.320 0.002 0.000 0.209 839 A C 0.903 178.477 177.584 -0.017 0.000 1.168 839 A CA 0.105 52.130 52.037 -0.020 0.000 0.804 839 A CB 0.151 19.140 19.000 -0.018 0.000 0.834 839 A HN -0.017 nan 8.150 nan 0.000 0.482 840 R N 0.330 120.822 120.500 -0.014 0.000 2.505 840 R HA 0.229 4.570 4.340 0.002 0.000 0.284 840 R C -2.120 174.181 176.300 0.001 0.000 1.324 840 R CA -1.732 54.362 56.100 -0.009 0.000 1.432 840 R CB 1.016 31.307 30.300 -0.014 0.000 1.107 840 R HN 0.173 nan 8.270 nan 0.000 0.587 841 P HA -0.191 nan 4.420 nan 0.000 0.219 841 P C 1.057 178.383 177.300 0.045 0.000 1.146 841 P CA 1.139 64.244 63.100 0.008 0.000 0.808 841 P CB 0.261 31.952 31.700 -0.015 0.000 0.779 842 M N -0.909 118.706 119.600 0.024 0.000 2.279 842 M HA -0.060 4.421 4.480 0.002 0.000 0.264 842 M C 2.254 178.565 176.300 0.018 0.000 1.062 842 M CA 1.033 56.347 55.300 0.022 0.000 1.099 842 M CB -1.249 31.352 32.600 0.002 0.000 1.394 842 M HN -0.018 nan 8.290 nan 0.000 0.426 843 I N -1.196 119.382 120.570 0.012 0.000 2.286 843 I HA -0.335 3.836 4.170 0.002 0.000 0.248 843 I C 2.643 178.767 176.117 0.012 0.000 1.115 843 I CA 1.079 62.374 61.300 -0.008 0.000 1.392 843 I CB -0.703 37.288 38.000 -0.017 0.000 1.065 843 I HN 0.383 nan 8.210 nan 0.000 0.418 844 H N 1.209 120.256 119.070 -0.038 0.000 2.352 844 H HA -0.212 4.346 4.556 0.002 0.000 0.299 844 H C 2.020 177.331 175.328 -0.028 0.000 1.097 844 H CA 1.967 57.996 56.048 -0.032 0.000 1.311 844 H CB 0.292 30.038 29.762 -0.026 0.000 1.377 844 H HN 0.271 nan 8.280 nan 0.000 0.504 845 E N 0.666 120.897 120.200 0.053 0.000 2.106 845 E HA -0.108 4.243 4.350 0.002 0.000 0.192 845 E C 2.489 179.062 176.600 -0.044 0.000 0.984 845 E CA 0.715 57.119 56.400 0.007 0.000 0.806 845 E CB -0.313 29.415 29.700 0.047 0.000 0.750 845 E HN 0.444 nan 8.360 nan 0.000 0.458 846 L N -0.126 121.063 121.223 -0.057 0.000 2.083 846 L HA -0.155 4.186 4.340 0.002 0.000 0.209 846 L C 1.874 178.669 176.870 -0.124 0.000 1.083 846 L CA 1.198 55.972 54.840 -0.110 0.000 0.752 846 L CB -0.057 41.915 42.059 -0.146 0.000 0.899 846 L HN 0.167 nan 8.230 nan 0.000 0.433 847 L N -0.945 120.200 121.223 -0.130 0.000 2.056 847 L HA -0.169 4.173 4.340 0.002 0.000 0.207 847 L C 2.478 179.264 176.870 -0.140 0.000 1.078 847 L CA 1.618 56.376 54.840 -0.136 0.000 0.749 847 L CB -0.997 40.967 42.059 -0.159 0.000 0.901 847 L HN 0.247 nan 8.230 nan 0.000 0.433 848 T N -0.905 113.539 114.554 -0.183 0.000 2.684 848 T HA -0.269 4.082 4.350 0.002 0.000 0.267 848 T C 1.776 176.431 174.700 -0.074 0.000 1.036 848 T CA 1.628 63.643 62.100 -0.141 0.000 1.148 848 T CB -0.196 68.586 68.868 -0.143 0.000 0.863 848 T HN 0.364 nan 8.240 nan 0.000 0.436 849 E N 0.419 120.584 120.200 -0.059 0.000 2.118 849 E HA -0.122 4.229 4.350 0.002 0.000 0.195 849 E C 2.424 179.003 176.600 -0.035 0.000 0.992 849 E CA 1.124 57.507 56.400 -0.028 0.000 0.804 849 E CB -0.376 29.321 29.700 -0.005 0.000 0.741 849 E HN 0.542 nan 8.360 nan 0.000 0.458 850 G N 0.488 109.254 108.800 -0.057 0.000 2.394 850 G HA2 -0.223 3.738 3.960 0.002 0.000 0.215 850 G HA3 -0.223 3.738 3.960 0.002 0.000 0.215 850 G C 1.585 176.468 174.900 -0.027 0.000 1.165 850 G CA 0.349 45.421 45.100 -0.047 0.000 0.784 850 G HN 0.154 nan 8.290 nan 0.000 0.535 851 R N -0.155 120.326 120.500 -0.031 0.000 2.237 851 R HA 0.087 4.428 4.340 0.002 0.000 0.219 851 R C 2.283 178.576 176.300 -0.013 0.000 1.080 851 R CA 0.642 56.731 56.100 -0.018 0.000 0.995 851 R CB -0.032 30.252 30.300 -0.027 0.000 0.875 851 R HN 0.258 nan 8.270 nan 0.000 0.462 852 R N -0.414 120.077 120.500 -0.015 0.000 2.362 852 R HA 0.139 4.480 4.340 0.002 0.000 0.227 852 R C 0.606 176.905 176.300 -0.002 0.000 0.905 852 R CA -0.119 55.977 56.100 -0.007 0.000 1.067 852 R CB 0.685 30.980 30.300 -0.008 0.000 1.078 852 R HN -0.056 nan 8.270 nan 0.000 0.516 853 S N 0.917 116.615 115.700 -0.003 0.000 2.573 853 S HA 0.019 4.490 4.470 0.002 0.000 0.277 853 S C 1.122 175.725 174.600 0.004 0.000 1.346 853 S CA -0.145 58.056 58.200 0.002 0.000 1.034 853 S CB 0.986 64.185 63.200 -0.002 0.000 0.879 853 S HN 0.143 nan 8.310 nan 0.000 0.528 854 K N 0.821 121.225 120.400 0.007 0.000 2.057 854 K HA -0.041 4.280 4.320 0.002 0.000 0.206 854 K C 1.003 177.607 176.600 0.007 0.000 1.050 854 K CA 1.306 57.597 56.287 0.008 0.000 0.935 854 K CB -0.712 31.794 32.500 0.010 0.000 0.715 854 K HN 0.868 nan 8.250 nan 0.000 0.439 855 T N 0.067 114.624 114.554 0.006 0.000 2.926 855 T HA 0.049 4.400 4.350 0.002 0.000 0.307 855 T C 0.644 175.346 174.700 0.003 0.000 1.059 855 T CA -0.437 61.666 62.100 0.005 0.000 1.122 855 T CB 0.844 69.715 68.868 0.005 0.000 0.972 855 T HN 0.087 nan 8.240 nan 0.000 0.545 856 N N 0.819 119.521 118.700 0.002 0.000 2.270 856 N HA -0.025 4.716 4.740 0.002 0.000 0.181 856 N C 1.676 177.185 175.510 -0.002 0.000 1.016 856 N CA 0.650 53.700 53.050 0.000 0.000 0.870 856 N CB -0.137 38.349 38.487 -0.002 0.000 0.979 856 N HN 0.701 nan 8.380 nan 0.000 0.431 857 K N 0.844 121.242 120.400 -0.003 0.000 2.001 857 K HA 0.009 4.330 4.320 0.002 0.000 0.208 857 K C 1.983 178.583 176.600 0.001 0.000 1.048 857 K CA 1.275 57.559 56.287 -0.005 0.000 0.932 857 K CB -0.172 32.325 32.500 -0.005 0.000 0.715 857 K HN 0.197 nan 8.250 nan 0.000 0.437 858 A N 1.241 124.061 122.820 -0.000 0.000 1.930 858 A HA -0.175 4.146 4.320 0.002 0.000 0.217 858 A C 2.000 179.587 177.584 0.005 0.000 1.175 858 A CA 1.789 53.825 52.037 -0.002 0.000 0.627 858 A CB -0.410 18.582 19.000 -0.013 0.000 0.815 858 A HN 0.330 nan 8.150 nan 0.000 0.443 859 K N -0.412 119.992 120.400 0.006 0.000 2.032 859 K HA -0.128 4.193 4.320 0.002 0.000 0.209 859 K C 2.005 178.620 176.600 0.025 0.000 1.048 859 K CA 2.338 58.631 56.287 0.011 0.000 0.927 859 K CB -0.560 31.944 32.500 0.008 0.000 0.712 859 K HN 0.447 nan 8.250 nan 0.000 0.441 860 T N 1.076 115.645 114.554 0.025 0.000 2.737 860 T HA -0.069 4.282 4.350 0.002 0.000 0.265 860 T C 1.767 176.517 174.700 0.083 0.000 1.038 860 T CA 1.448 63.569 62.100 0.036 0.000 1.144 860 T CB -0.196 68.673 68.868 0.002 0.000 0.866 860 T HN 0.110 nan 8.240 nan 0.000 0.434 861 L N 0.696 121.966 121.223 0.078 0.000 2.109 861 L HA 0.027 4.368 4.340 0.002 0.000 0.207 861 L C 3.058 180.042 176.870 0.190 0.000 1.086 861 L CA 1.013 55.947 54.840 0.156 0.000 0.760 861 L CB -0.651 41.471 42.059 0.105 0.000 0.910 861 L HN 0.257 nan 8.230 nan 0.000 0.437 862 A N -0.403 122.471 122.820 0.090 0.000 1.969 862 A HA -0.152 4.169 4.320 0.002 0.000 0.218 862 A C 2.330 179.939 177.584 0.042 0.000 1.169 862 A CA 2.031 54.094 52.037 0.042 0.000 0.635 862 A CB -0.729 18.268 19.000 -0.006 0.000 0.810 862 A HN 0.356 nan 8.150 nan 0.000 0.445 863 T N -1.726 112.871 114.554 0.071 0.000 2.821 863 T HA -0.172 4.179 4.350 0.002 0.000 0.267 863 T C 1.473 176.243 174.700 0.117 0.000 1.046 863 T CA 1.399 63.541 62.100 0.069 0.000 1.139 863 T CB -0.291 68.619 68.868 0.070 0.000 0.871 863 T HN 0.762 nan 8.240 nan 0.000 0.454 864 W N 2.104 123.395 121.300 -0.015 0.000 2.381 864 W HA 0.100 4.761 4.660 0.002 0.000 0.301 864 W C 2.490 179.004 176.519 -0.007 0.000 1.205 864 W CA 0.719 58.058 57.345 -0.009 0.000 1.285 864 W CB -0.579 28.877 29.460 -0.006 0.000 1.133 864 W HN 0.215 nan 8.180 nan 0.000 0.521 865 A N -0.421 122.325 122.820 -0.122 0.000 1.930 865 A HA -0.138 4.183 4.320 0.002 0.000 0.217 865 A C 1.909 179.355 177.584 -0.229 0.000 1.175 865 A CA 2.240 54.095 52.037 -0.303 0.000 0.627 865 A CB -1.256 17.671 19.000 -0.120 0.000 0.815 865 A HN 0.282 nan 8.150 nan 0.000 0.443 866 T N -0.174 114.305 114.554 -0.126 0.000 2.746 866 T HA -0.139 4.213 4.350 0.002 0.000 0.267 866 T C 1.976 176.616 174.700 -0.100 0.000 1.039 866 T CA 1.552 63.595 62.100 -0.094 0.000 1.142 866 T CB -0.168 68.662 68.868 -0.063 0.000 0.866 866 T HN 0.595 nan 8.240 nan 0.000 0.444 867 K N 0.873 121.207 120.400 -0.109 0.000 2.026 867 K HA -0.152 4.169 4.320 0.002 0.000 0.208 867 K C 2.175 178.677 176.600 -0.163 0.000 1.048 867 K CA 1.232 57.460 56.287 -0.098 0.000 0.929 867 K CB -0.004 32.469 32.500 -0.045 0.000 0.713 867 K HN 0.142 nan 8.250 nan 0.000 0.439 868 E N 0.942 120.951 120.200 -0.318 0.000 2.106 868 E HA -0.148 4.203 4.350 0.002 0.000 0.192 868 E C 2.130 178.606 176.600 -0.207 0.000 0.984 868 E CA 0.839 57.033 56.400 -0.343 0.000 0.806 868 E CB -0.136 29.179 29.700 -0.643 0.000 0.750 868 E HN 0.372 nan 8.360 nan 0.000 0.458 869 L N 0.184 121.301 121.223 -0.177 0.000 2.156 869 L HA -0.066 4.275 4.340 0.002 0.000 0.208 869 L C 2.713 179.544 176.870 -0.064 0.000 1.095 869 L CA 0.765 55.544 54.840 -0.101 0.000 0.770 869 L CB -0.205 41.808 42.059 -0.076 0.000 0.914 869 L HN 0.009 nan 8.230 nan 0.000 0.439 870 R N 0.208 120.669 120.500 -0.064 0.000 2.115 870 R HA -0.116 4.226 4.340 0.002 0.000 0.226 870 R C 2.228 178.507 176.300 -0.036 0.000 1.100 870 R CA 0.957 57.034 56.100 -0.038 0.000 0.980 870 R CB 0.110 30.392 30.300 -0.031 0.000 0.875 870 R HN 0.259 nan 8.270 nan 0.000 0.445 871 K N 0.371 120.741 120.400 -0.050 0.000 2.057 871 K HA -0.126 4.195 4.320 0.002 0.000 0.207 871 K C 2.065 178.646 176.600 -0.031 0.000 1.049 871 K CA 1.197 57.461 56.287 -0.038 0.000 0.931 871 K CB -0.088 32.383 32.500 -0.047 0.000 0.714 871 K HN 0.239 nan 8.250 nan 0.000 0.440 872 L N 0.838 122.038 121.223 -0.039 0.000 2.156 872 L HA -0.121 4.221 4.340 0.002 0.000 0.208 872 L C 2.477 179.336 176.870 -0.018 0.000 1.095 872 L CA 0.825 55.649 54.840 -0.026 0.000 0.770 872 L CB -0.277 41.765 42.059 -0.029 0.000 0.914 872 L HN 0.053 nan 8.230 nan 0.000 0.439 873 K N 0.358 120.746 120.400 -0.020 0.000 2.097 873 K HA -0.098 4.223 4.320 0.002 0.000 0.205 873 K C 1.319 177.913 176.600 -0.011 0.000 1.050 873 K CA 1.167 57.445 56.287 -0.014 0.000 0.938 873 K CB -0.053 32.439 32.500 -0.013 0.000 0.718 873 K HN 0.317 nan 8.250 nan 0.000 0.442 874 N N 1.092 119.786 118.700 -0.011 0.000 2.236 874 N HA -0.033 4.709 4.740 0.002 0.000 0.196 874 N C -0.022 175.485 175.510 -0.006 0.000 1.114 874 N CA 0.059 53.104 53.050 -0.008 0.000 0.859 874 N CB 0.325 38.808 38.487 -0.007 0.000 0.982 874 N HN 0.360 nan 8.380 nan 0.000 0.493 875 Q N -0.203 119.592 119.800 -0.007 0.000 2.361 875 Q HA 0.360 4.701 4.340 0.002 0.000 0.276 875 Q C 0.769 176.767 176.000 -0.003 0.000 1.022 875 Q CA 0.475 56.276 55.803 -0.005 0.000 0.898 875 Q CB 0.361 29.096 28.738 -0.005 0.000 1.246 875 Q HN 0.125 nan 8.270 nan 0.000 0.410 876 G N 1.998 110.797 108.800 -0.001 0.000 2.153 876 G HA2 -0.257 3.705 3.960 0.002 0.000 0.252 876 G HA3 -0.257 3.705 3.960 0.002 0.000 0.252 876 G C -0.274 174.626 174.900 -0.001 0.000 0.994 876 G CA 0.186 45.285 45.100 -0.000 0.000 0.698 876 G HN 0.527 nan 8.290 nan 0.000 0.521 877 L N 1.111 122.333 121.223 -0.001 0.000 2.287 877 L HA 0.516 4.857 4.340 0.002 0.000 0.287 877 L C 0.970 177.840 176.870 -0.000 0.000 1.022 877 L CA -0.519 54.320 54.840 -0.001 0.000 0.814 877 L CB 1.846 43.904 42.059 -0.002 0.000 1.217 877 L HN 0.204 nan 8.230 nan 0.000 0.420 878 T N 4.209 118.763 114.554 0.000 0.000 2.870 878 T HA 0.249 4.600 4.350 0.002 0.000 0.300 878 T C 0.319 175.019 174.700 0.001 0.000 0.989 878 T CA -0.273 61.828 62.100 0.001 0.000 1.139 878 T CB 0.179 69.047 68.868 0.001 0.000 0.920 878 T HN 0.496 nan 8.240 nan 0.000 0.537 879 R N 2.759 123.260 120.500 0.001 0.000 2.459 879 R HA 0.688 5.029 4.340 0.002 0.000 0.281 879 R C -0.769 175.532 176.300 0.002 0.000 1.050 879 R CA -0.769 55.332 56.100 0.002 0.000 1.055 879 R CB 1.588 31.890 30.300 0.002 0.000 1.045 879 R HN 0.453 nan 8.270 nan 0.000 0.495 880 V N 1.117 121.032 119.914 0.002 0.000 2.808 880 V HA 0.406 4.527 4.120 0.002 0.000 0.308 880 V C -0.394 175.702 176.094 0.002 0.000 1.099 880 V CA -0.210 62.091 62.300 0.002 0.000 0.920 880 V CB 1.667 33.491 31.823 0.001 0.000 1.014 880 V HN 1.002 nan 8.190 nan 0.000 0.425 881 D N 0.000 120.401 120.400 0.002 0.000 6.856 881 D HA 0.000 4.641 4.640 0.002 0.000 0.175 881 D CA 0.000 54.001 54.000 0.002 0.000 0.868 881 D CB 0.000 nan 40.800 nan 0.000 0.688 881 D HN 0.000 nan 8.370 nan 0.000 0.683