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 1pd0_1_A DATA FIRST_RESID 133 DATA SEQUENCE RPMNQLYPID LLTELPPPIT DLTLPPPPLV IPPERMLVPS ELSNASPDYI DATA SEQUENCE RSTLNAVPKN SSLLKKSKLP FGLVIRPYQH LYDDIDPPPL NEDGLIVRCR DATA SEQUENCE RCRSYMNPFV TFIEQGRRWR CNFCRLANDV PMQMDQXXXX XPKSRYDRNE DATA SEQUENCE IKCAVMEYMA PKEYTLRQPP PATYCFLIDV SQSSIKSGLL ATTINTLLQN DATA SEQUENCE LDSIPNHDER TRISILCVDN AIHYFKIPLD SENXXXXXXX INMMDIADLE DATA SEQUENCE EXXXXXPNSM VVSLKACRQN IETLLTKIPQ IFQSNLITNF ALGPALKSAY DATA SEQUENCE HLIGGVGGKI IVVSGTLPNL GIGKLQRXXX XXXXXXXXXX XXXXXXXDSF DATA SEQUENCE YKNFTIDCSK VQITVDLFLA SEDYMDVASL SNLSRFTAGQ THFYPGFSGK DATA SEQUENCE NPNDIVKFST EFAKHISMDF CMETVMRARG STGLRMSRFY GHFFNRSSDL DATA SEQUENCE CAFSTMPRDQ SYLFEVNVDE SIMADYCYVQ VAVLLSLNNS QRRIRIITLA DATA SEQUENCE MPTTESLAEV YASADQLAIA SFYNSKAVEK ALNSSLDDAR VLINKSVQDI DATA SEQUENCE LATYKKEIVX XXXXGGAPLR LCANLRMFPL LMHSLTKHMA FRSGIVPSDH DATA SEQUENCE RASALNNLES LPLKYLIKNI YPDVYSLHDM ADEAGLPVXX XXXXXXGTIV DATA SEQUENCE LPQPINATSS LFERYGLYLI DNGNELFLWM GGDAVPALVF DVFGTQDIFD DATA SEQUENCE IPIGKQEIPV VENSEFNQRV RNIINQLRNH DDVITYQSLY IVRGAXXXXX DATA SEQUENCE XXXXXAREVA TLRLWASSTL VEDKILNNES YREFLQIMKA RISK 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 133 R HA 0.000 nan 4.340 nan 0.000 0.208 133 R C 0.000 176.311 176.300 0.018 0.000 0.893 133 R CA 0.000 56.113 56.100 0.021 0.000 0.921 133 R CB 0.000 30.317 30.300 0.028 0.000 0.687 134 P HA 0.053 nan 4.420 nan 0.000 0.290 134 P C -0.439 176.878 177.300 0.029 0.000 1.584 134 P CA 0.232 63.351 63.100 0.032 0.000 0.813 134 P CB 0.033 31.757 31.700 0.039 0.000 1.775 135 M N 0.990 120.599 119.600 0.015 0.000 2.284 135 M HA -0.021 4.459 4.480 -0.000 0.000 0.351 135 M C 0.666 176.983 176.300 0.028 0.000 1.443 135 M CA 0.392 55.695 55.300 0.006 0.000 1.031 135 M CB -0.575 32.016 32.600 -0.016 0.000 1.893 135 M HN 0.103 nan 8.290 nan 0.000 0.456 136 N N 3.151 121.873 118.700 0.036 0.000 2.225 136 N HA -0.098 4.642 4.740 -0.000 0.000 0.257 136 N C 0.067 175.636 175.510 0.099 0.000 1.252 136 N CA 0.480 53.573 53.050 0.072 0.000 0.833 136 N CB 0.492 39.012 38.487 0.055 0.000 1.068 136 N HN 0.416 nan 8.380 nan 0.000 0.468 137 Q N 1.231 121.138 119.800 0.179 0.000 2.214 137 Q HA 0.355 4.695 4.340 -0.000 0.000 0.251 137 Q C 0.155 176.279 176.000 0.206 0.000 0.936 137 Q CA -0.619 55.265 55.803 0.135 0.000 0.894 137 Q CB 1.482 30.243 28.738 0.038 0.000 1.252 137 Q HN 0.488 nan 8.270 nan 0.000 0.448 138 L N 2.681 123.941 121.223 0.062 0.000 2.361 138 L HA 0.104 4.444 4.340 -0.000 0.000 0.278 138 L C -0.922 175.950 176.870 0.002 0.000 1.113 138 L CA -0.081 54.826 54.840 0.111 0.000 0.849 138 L CB 0.128 42.223 42.059 0.060 0.000 1.155 138 L HN 0.536 nan 8.230 nan 0.000 0.452 139 Y N 5.727 126.068 120.300 0.069 0.000 2.842 139 Y HA 0.302 4.852 4.550 0.000 0.000 0.334 139 Y C -1.837 174.101 175.900 0.063 0.000 1.019 139 Y CA -2.847 55.285 58.100 0.052 0.000 1.258 139 Y CB 0.389 38.869 38.460 0.033 0.000 1.106 139 Y HN 0.451 nan 8.280 nan 0.000 0.545 140 P HA 0.169 nan 4.420 nan 0.000 0.268 140 P C -0.288 177.069 177.300 0.096 0.000 1.205 140 P CA 0.367 63.552 63.100 0.143 0.000 0.771 140 P CB 1.535 33.313 31.700 0.129 0.000 0.858 141 I N -1.575 119.027 120.570 0.053 0.000 3.095 141 I HA 0.613 4.782 4.170 -0.000 0.000 0.310 141 I C -1.212 174.910 176.117 0.008 0.000 1.196 141 I CA -1.225 60.094 61.300 0.032 0.000 0.985 141 I CB 2.682 40.696 38.000 0.024 0.000 1.250 141 I HN 0.042 nan 8.210 nan 0.000 0.446 142 D N 2.992 123.398 120.400 0.010 0.000 2.381 142 D HA 0.403 5.043 4.640 -0.000 0.000 0.235 142 D C 0.609 176.907 176.300 -0.003 0.000 1.068 142 D CA -0.447 53.554 54.000 0.001 0.000 0.832 142 D CB 1.808 42.611 40.800 0.005 0.000 1.101 142 D HN 0.720 nan 8.370 nan 0.000 0.515 143 L N 3.191 124.406 121.223 -0.013 0.000 2.191 143 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 143 L C 2.115 178.979 176.870 -0.010 0.000 1.103 143 L CA 0.756 55.597 54.840 0.001 0.000 0.769 143 L CB -0.135 41.923 42.059 -0.001 0.000 0.908 143 L HN 0.485 nan 8.230 nan 0.000 0.438 144 L N -1.214 119.990 121.223 -0.031 0.000 2.376 144 L HA -0.089 4.251 4.340 -0.000 0.000 0.219 144 L C 1.965 178.825 176.870 -0.017 0.000 1.133 144 L CA 0.752 55.567 54.840 -0.041 0.000 0.816 144 L CB -0.614 41.415 42.059 -0.049 0.000 0.933 144 L HN 0.159 nan 8.230 nan 0.000 0.449 145 T N -0.800 113.752 114.554 -0.003 0.000 3.107 145 T HA 0.043 4.393 4.350 -0.000 0.000 0.249 145 T C 0.625 175.335 174.700 0.018 0.000 1.096 145 T CA 0.405 62.510 62.100 0.007 0.000 1.012 145 T CB -0.033 68.840 68.868 0.009 0.000 0.977 145 T HN 0.359 nan 8.240 nan 0.000 0.527 146 E N 1.614 121.829 120.200 0.026 0.000 3.588 146 E HA 0.340 4.689 4.350 -0.000 0.000 0.213 146 E C -1.348 175.291 176.600 0.066 0.000 1.168 146 E CA -0.248 56.176 56.400 0.041 0.000 1.254 146 E CB 0.495 30.220 29.700 0.043 0.000 1.302 146 E HN 0.201 nan 8.360 nan 0.000 0.429 147 L N 1.327 122.583 121.223 0.055 0.000 2.409 147 L HA 0.429 4.769 4.340 -0.000 0.000 0.272 147 L C -2.169 174.737 176.870 0.061 0.000 0.980 147 L CA -1.780 53.105 54.840 0.077 0.000 0.826 147 L CB 0.977 43.068 42.059 0.052 0.000 1.268 147 L HN 0.066 nan 8.230 nan 0.000 0.407 148 P HA 0.207 nan 4.420 nan 0.000 0.270 148 P C -2.562 174.794 177.300 0.093 0.000 1.227 148 P CA -0.821 62.339 63.100 0.100 0.000 0.788 148 P CB -0.163 31.587 31.700 0.082 0.000 0.926 149 P HA 0.139 nan 4.420 nan 0.000 0.271 149 P C -2.333 174.957 177.300 -0.017 0.000 1.218 149 P CA -1.116 62.007 63.100 0.039 0.000 0.780 149 P CB -0.446 31.215 31.700 -0.065 0.000 0.901 150 P HA 0.118 nan 4.420 nan 0.000 0.230 150 P C 0.880 178.135 177.300 -0.074 0.000 1.791 150 P CA -0.031 63.051 63.100 -0.030 0.000 1.020 150 P CB -0.910 30.779 31.700 -0.017 0.000 1.977 151 I N -1.553 118.953 120.570 -0.107 0.000 2.908 151 I HA -0.226 3.944 4.170 -0.000 0.000 0.271 151 I C 1.283 177.334 176.117 -0.109 0.000 1.275 151 I CA 1.547 62.739 61.300 -0.179 0.000 1.446 151 I CB -1.285 36.600 38.000 -0.193 0.000 1.092 151 I HN 0.087 nan 8.210 nan 0.000 0.482 152 T N -2.110 112.408 114.554 -0.060 0.000 2.962 152 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 152 T C 1.299 175.971 174.700 -0.047 0.000 1.088 152 T CA 1.169 63.246 62.100 -0.037 0.000 1.127 152 T CB -0.493 68.365 68.868 -0.018 0.000 0.883 152 T HN 0.359 nan 8.240 nan 0.000 0.493 153 D N 1.801 122.164 120.400 -0.062 0.000 2.182 153 D HA -0.007 4.633 4.640 -0.000 0.000 0.201 153 D C 1.927 178.191 176.300 -0.061 0.000 0.986 153 D CA 0.582 54.547 54.000 -0.058 0.000 0.847 153 D CB -0.473 40.291 40.800 -0.061 0.000 0.942 153 D HN 0.396 nan 8.370 nan 0.000 0.467 154 L N 0.520 121.692 121.223 -0.084 0.000 2.349 154 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 154 L C 1.955 178.798 176.870 -0.046 0.000 1.130 154 L CA 1.444 56.239 54.840 -0.075 0.000 0.791 154 L CB -0.679 41.321 42.059 -0.098 0.000 0.918 154 L HN 0.167 nan 8.230 nan 0.000 0.444 155 T N -3.953 110.578 114.554 -0.038 0.000 3.054 155 T HA 0.283 4.633 4.350 -0.000 0.000 0.255 155 T C 0.623 175.310 174.700 -0.023 0.000 1.035 155 T CA -0.309 61.775 62.100 -0.026 0.000 0.941 155 T CB -0.019 68.841 68.868 -0.014 0.000 1.026 155 T HN 0.010 nan 8.240 nan 0.000 0.533 156 L N 2.072 123.279 121.223 -0.028 0.000 2.436 156 L HA 0.435 4.775 4.340 -0.000 0.000 0.265 156 L C -2.048 174.808 176.870 -0.023 0.000 1.168 156 L CA -2.221 52.603 54.840 -0.026 0.000 0.815 156 L CB 0.111 42.150 42.059 -0.035 0.000 1.109 156 L HN 0.012 nan 8.230 nan 0.000 0.462 157 P HA 0.214 nan 4.420 nan 0.000 0.274 157 P C -2.414 174.876 177.300 -0.018 0.000 1.246 157 P CA -0.949 62.143 63.100 -0.013 0.000 0.795 157 P CB -0.189 31.507 31.700 -0.007 0.000 1.006 158 P HA 0.243 nan 4.420 nan 0.000 0.274 158 P C -2.524 174.764 177.300 -0.019 0.000 1.260 158 P CA -1.301 61.789 63.100 -0.017 0.000 0.793 158 P CB -0.995 30.698 31.700 -0.012 0.000 1.048 159 P HA 0.158 nan 4.420 nan 0.000 0.266 159 P C -2.254 175.041 177.300 -0.010 0.000 1.193 159 P CA -0.390 62.698 63.100 -0.020 0.000 0.770 159 P CB -1.170 30.518 31.700 -0.022 0.000 0.836 160 P HA 0.124 nan 4.420 nan 0.000 0.270 160 P C -0.619 176.687 177.300 0.011 0.000 1.223 160 P CA 0.142 63.247 63.100 0.009 0.000 0.785 160 P CB 0.427 32.135 31.700 0.014 0.000 0.923 161 L N 1.862 123.098 121.223 0.022 0.000 2.287 161 L HA 0.177 4.517 4.340 -0.000 0.000 0.280 161 L C -0.306 176.590 176.870 0.043 0.000 1.055 161 L CA -0.818 54.036 54.840 0.023 0.000 0.863 161 L CB 0.607 42.684 42.059 0.030 0.000 1.245 161 L HN 0.100 nan 8.230 nan 0.000 0.432 162 V N 5.246 125.184 119.914 0.040 0.000 2.399 162 V HA 0.003 4.123 4.120 -0.000 0.000 0.245 162 V C 0.437 176.605 176.094 0.123 0.000 1.089 162 V CA 0.517 62.855 62.300 0.063 0.000 1.196 162 V CB -0.839 31.009 31.823 0.042 0.000 1.221 162 V HN 0.387 nan 8.190 nan 0.000 0.482 163 I N 7.193 127.839 120.570 0.127 0.000 2.411 163 I HA 0.418 4.588 4.170 -0.000 0.000 0.284 163 I C -1.768 174.419 176.117 0.116 0.000 1.012 163 I CA -2.519 58.876 61.300 0.159 0.000 1.119 163 I CB 1.819 39.903 38.000 0.140 0.000 1.261 163 I HN 0.362 nan 8.210 nan 0.000 0.448 164 P HA 0.232 nan 4.420 nan 0.000 0.269 164 P C -2.285 175.046 177.300 0.052 0.000 1.215 164 P CA -1.090 62.060 63.100 0.084 0.000 0.780 164 P CB 0.426 32.187 31.700 0.102 0.000 0.898 165 P HA -0.174 nan 4.420 nan 0.000 0.218 165 P C 1.074 178.385 177.300 0.019 0.000 1.148 165 P CA 1.523 64.640 63.100 0.028 0.000 0.822 165 P CB 0.009 31.724 31.700 0.024 0.000 0.784 166 E N -0.880 119.333 120.200 0.022 0.000 2.153 166 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 166 E C 1.983 178.585 176.600 0.002 0.000 0.988 166 E CA 0.819 57.230 56.400 0.019 0.000 0.811 166 E CB -0.624 29.094 29.700 0.030 0.000 0.746 166 E HN 0.054 nan 8.360 nan 0.000 0.466 167 R N 0.152 120.637 120.500 -0.025 0.000 2.276 167 R HA 0.141 4.481 4.340 -0.000 0.000 0.203 167 R C -0.077 176.238 176.300 0.026 0.000 1.017 167 R CA 0.515 56.588 56.100 -0.044 0.000 1.010 167 R CB 0.041 30.198 30.300 -0.238 0.000 0.900 167 R HN 0.126 nan 8.270 nan 0.000 0.469 168 M N 0.418 120.003 119.600 -0.024 0.000 2.227 168 M HA 0.212 4.692 4.480 -0.000 0.000 0.335 168 M C 0.650 176.892 176.300 -0.096 0.000 1.053 168 M CA -0.498 54.713 55.300 -0.149 0.000 0.973 168 M CB 2.030 34.545 32.600 -0.141 0.000 1.623 168 M HN -0.084 nan 8.290 nan 0.000 0.434 169 L N 1.938 123.079 121.223 -0.137 0.000 2.043 169 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 169 L C 0.511 177.457 176.870 0.127 0.000 1.075 169 L CA 0.946 55.799 54.840 0.023 0.000 0.752 169 L CB -0.291 41.714 42.059 -0.089 0.000 0.891 169 L HN 0.488 nan 8.230 nan 0.000 0.432 170 V N -0.140 119.786 119.914 0.020 0.000 2.465 170 V HA 0.257 4.377 4.120 -0.000 0.000 0.263 170 V C -2.345 173.736 176.094 -0.022 0.000 0.981 170 V CA -1.321 61.003 62.300 0.040 0.000 0.838 170 V CB 0.925 32.789 31.823 0.067 0.000 1.068 170 V HN -0.012 nan 8.190 nan 0.000 0.458 171 P HA 0.183 nan 4.420 nan 0.000 0.260 171 P C 0.027 177.320 177.300 -0.012 0.000 1.172 171 P CA 0.887 63.977 63.100 -0.016 0.000 0.760 171 P CB 0.474 32.173 31.700 -0.001 0.000 0.773 172 S N 1.053 116.746 115.700 -0.012 0.000 2.656 172 S HA 0.202 4.672 4.470 -0.000 0.000 0.265 172 S C 0.536 175.137 174.600 0.002 0.000 1.132 172 S CA -0.860 57.336 58.200 -0.006 0.000 0.819 172 S CB 0.741 63.931 63.200 -0.016 0.000 1.119 172 S HN 0.334 nan 8.310 nan 0.000 0.476 173 E N 0.114 120.318 120.200 0.007 0.000 2.274 173 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 173 E C 1.208 177.817 176.600 0.016 0.000 0.996 173 E CA 0.758 57.169 56.400 0.018 0.000 0.840 173 E CB -0.367 29.345 29.700 0.020 0.000 0.772 173 E HN 0.515 nan 8.360 nan 0.000 0.491 174 L N 0.567 121.788 121.223 -0.004 0.000 2.599 174 L HA 0.015 4.355 4.340 -0.000 0.000 0.230 174 L C 2.275 179.122 176.870 -0.038 0.000 1.141 174 L CA 0.073 54.901 54.840 -0.020 0.000 0.877 174 L CB 0.014 42.052 42.059 -0.036 0.000 1.009 174 L HN 0.020 nan 8.230 nan 0.000 0.447 175 S N -0.409 115.268 115.700 -0.037 0.000 2.489 175 S HA 0.000 4.470 4.470 -0.000 0.000 0.228 175 S C 0.770 175.356 174.600 -0.023 0.000 0.995 175 S CA 0.322 58.466 58.200 -0.093 0.000 0.934 175 S CB -0.105 63.025 63.200 -0.117 0.000 0.771 175 S HN 0.393 nan 8.310 nan 0.000 0.522 176 N N 0.393 119.157 118.700 0.105 0.000 2.240 176 N HA 0.555 5.295 4.740 -0.000 0.000 0.302 176 N C -0.975 174.621 175.510 0.144 0.000 1.106 176 N CA -0.314 52.889 53.050 0.255 0.000 0.778 176 N CB 1.764 40.410 38.487 0.264 0.000 1.431 176 N HN 0.119 nan 8.380 nan 0.000 0.479 177 A N 1.323 124.235 122.820 0.153 0.000 2.546 177 A HA 0.233 4.553 4.320 -0.000 0.000 0.243 177 A C 0.639 178.283 177.584 0.100 0.000 1.063 177 A CA 0.110 52.205 52.037 0.095 0.000 0.757 177 A CB -0.366 18.693 19.000 0.099 0.000 0.991 177 A HN 0.594 nan 8.150 nan 0.000 0.503 178 S N 2.953 118.722 115.700 0.116 0.000 2.576 178 S HA 0.320 4.790 4.470 -0.000 0.000 0.276 178 S C -1.500 173.180 174.600 0.134 0.000 1.339 178 S CA -1.012 57.268 58.200 0.133 0.000 1.039 178 S CB 0.492 63.801 63.200 0.183 0.000 0.902 178 S HN 0.468 nan 8.310 nan 0.000 0.516 179 P HA -0.033 nan 4.420 nan 0.000 0.222 179 P C 0.439 177.762 177.300 0.038 0.000 1.147 179 P CA 0.828 63.961 63.100 0.056 0.000 0.790 179 P CB 0.054 31.773 31.700 0.032 0.000 0.780 180 D N -2.145 118.276 120.400 0.035 0.000 2.219 180 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 180 D C 1.414 177.598 176.300 -0.193 0.000 0.970 180 D CA 1.286 55.237 54.000 -0.083 0.000 0.851 180 D CB -0.368 40.356 40.800 -0.127 0.000 0.943 180 D HN 0.319 nan 8.370 nan 0.000 0.488 181 Y N -0.366 119.924 120.300 -0.017 0.000 2.522 181 Y HA 0.351 4.901 4.550 0.000 0.000 0.277 181 Y C 1.011 176.899 175.900 -0.020 0.000 1.104 181 Y CA 0.014 58.097 58.100 -0.029 0.000 1.260 181 Y CB 1.357 39.789 38.460 -0.047 0.000 1.151 181 Y HN -0.182 nan 8.280 nan 0.000 0.539 182 I N 0.044 120.699 120.570 0.142 0.000 2.722 182 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 182 I C -1.563 174.594 176.117 0.067 0.000 1.267 182 I CA -0.780 60.569 61.300 0.081 0.000 1.036 182 I CB 1.629 39.673 38.000 0.073 0.000 1.281 182 I HN -0.131 nan 8.210 nan 0.000 0.423 183 R N 4.665 125.196 120.500 0.052 0.000 2.502 183 R HA 0.349 4.689 4.340 -0.000 0.000 0.298 183 R C -0.966 175.369 176.300 0.058 0.000 1.018 183 R CA -0.586 55.542 56.100 0.047 0.000 0.899 183 R CB 2.128 32.448 30.300 0.033 0.000 1.181 183 R HN 0.609 nan 8.270 nan 0.000 0.444 184 S N 0.742 116.482 115.700 0.067 0.000 2.565 184 S HA 0.038 4.508 4.470 -0.000 0.000 0.274 184 S C 1.537 176.166 174.600 0.049 0.000 1.309 184 S CA -0.367 57.898 58.200 0.107 0.000 1.043 184 S CB 1.128 64.418 63.200 0.150 0.000 0.939 184 S HN 0.685 nan 8.310 nan 0.000 0.504 185 T N 3.067 117.652 114.554 0.051 0.000 2.929 185 T HA 0.095 4.445 4.350 -0.000 0.000 0.271 185 T C 0.468 175.087 174.700 -0.136 0.000 1.085 185 T CA 0.822 62.882 62.100 -0.066 0.000 1.125 185 T CB -0.563 68.212 68.868 -0.154 0.000 0.874 185 T HN 0.501 nan 8.240 nan 0.000 0.494 186 L N 1.600 122.747 121.223 -0.125 0.000 2.404 186 L HA 0.509 4.849 4.340 -0.000 0.000 0.272 186 L C -0.064 176.708 176.870 -0.163 0.000 0.980 186 L CA -0.857 53.842 54.840 -0.236 0.000 0.836 186 L CB 1.804 43.575 42.059 -0.482 0.000 1.238 186 L HN -0.156 nan 8.230 nan 0.000 0.408 187 N N 2.287 120.911 118.700 -0.126 0.000 2.270 187 N HA 0.214 4.954 4.740 -0.000 0.000 0.198 187 N C 0.057 175.502 175.510 -0.108 0.000 1.117 187 N CA 0.129 53.128 53.050 -0.086 0.000 0.845 187 N CB 1.166 39.623 38.487 -0.050 0.000 0.980 187 N HN 0.612 nan 8.380 nan 0.000 0.486 188 A N 0.428 123.154 122.820 -0.155 0.000 2.745 188 A HA 0.417 4.737 4.320 -0.000 0.000 0.301 188 A C -0.444 177.002 177.584 -0.229 0.000 1.188 188 A CA -0.516 51.425 52.037 -0.160 0.000 0.746 188 A CB 0.522 19.452 19.000 -0.117 0.000 1.207 188 A HN -0.089 nan 8.150 nan 0.000 0.432 189 V N 3.245 123.002 119.914 -0.260 0.000 2.508 189 V HA 0.185 4.305 4.120 -0.000 0.000 0.281 189 V C -2.113 173.827 176.094 -0.256 0.000 1.041 189 V CA -1.208 60.881 62.300 -0.352 0.000 1.016 189 V CB 0.818 32.461 31.823 -0.301 0.000 0.984 189 V HN 0.686 nan 8.190 nan 0.000 0.478 190 P HA 0.020 nan 4.420 nan 0.000 0.261 190 P C 0.544 177.779 177.300 -0.108 0.000 1.183 190 P CA 0.169 63.172 63.100 -0.161 0.000 0.761 190 P CB 0.377 31.985 31.700 -0.154 0.000 0.785 191 K N 2.598 122.947 120.400 -0.085 0.000 2.515 191 K HA -0.109 4.211 4.320 -0.000 0.000 0.196 191 K C 0.218 176.802 176.600 -0.027 0.000 1.038 191 K CA 0.703 56.954 56.287 -0.059 0.000 0.967 191 K CB -0.192 32.270 32.500 -0.063 0.000 0.780 191 K HN 0.640 nan 8.250 nan 0.000 0.483 192 N N -4.066 114.620 118.700 -0.022 0.000 2.859 192 N HA 0.099 4.839 4.740 -0.000 0.000 0.250 192 N C -0.078 175.435 175.510 0.005 0.000 1.341 192 N CA -0.625 52.425 53.050 -0.000 0.000 0.881 192 N CB 1.146 39.631 38.487 -0.002 0.000 1.516 192 N HN -0.318 nan 8.380 nan 0.000 0.503 193 S N 0.266 115.979 115.700 0.022 0.000 2.359 193 S HA -0.273 4.197 4.470 -0.000 0.000 0.222 193 S C 1.789 176.400 174.600 0.018 0.000 1.038 193 S CA 2.146 60.363 58.200 0.029 0.000 1.051 193 S CB -0.877 62.344 63.200 0.035 0.000 0.944 193 S HN 0.822 nan 8.310 nan 0.000 0.433 194 S N 1.811 117.519 115.700 0.013 0.000 2.392 194 S HA -0.153 4.317 4.470 -0.000 0.000 0.232 194 S C 1.813 176.415 174.600 0.005 0.000 1.041 194 S CA 1.440 59.646 58.200 0.010 0.000 1.026 194 S CB -0.604 62.600 63.200 0.006 0.000 0.845 194 S HN 0.321 nan 8.310 nan 0.000 0.465 195 L N 0.486 121.706 121.223 -0.004 0.000 2.179 195 L HA 0.285 4.625 4.340 -0.000 0.000 0.208 195 L C 2.195 179.057 176.870 -0.014 0.000 1.096 195 L CA 1.278 56.111 54.840 -0.012 0.000 0.779 195 L CB -0.815 41.228 42.059 -0.026 0.000 0.922 195 L HN 0.427 nan 8.230 nan 0.000 0.443 196 L N -0.056 121.155 121.223 -0.020 0.000 2.027 196 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 196 L C 2.509 179.376 176.870 -0.005 0.000 1.074 196 L CA 2.011 56.831 54.840 -0.034 0.000 0.745 196 L CB -0.879 41.172 42.059 -0.014 0.000 0.898 196 L HN 0.354 nan 8.230 nan 0.000 0.433 197 K N -0.429 119.980 120.400 0.016 0.000 2.147 197 K HA -0.244 4.076 4.320 -0.000 0.000 0.205 197 K C 2.275 178.895 176.600 0.034 0.000 1.049 197 K CA 1.576 57.881 56.287 0.030 0.000 0.936 197 K CB -0.103 32.417 32.500 0.033 0.000 0.722 197 K HN 0.362 nan 8.250 nan 0.000 0.446 198 K N 0.379 120.796 120.400 0.029 0.000 2.167 198 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 198 K C 2.009 178.653 176.600 0.073 0.000 1.052 198 K CA 1.344 57.653 56.287 0.037 0.000 0.956 198 K CB -0.002 32.509 32.500 0.019 0.000 0.735 198 K HN 0.222 nan 8.250 nan 0.000 0.451 199 S N 0.563 116.311 115.700 0.080 0.000 2.399 199 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 199 S C 0.824 175.517 174.600 0.155 0.000 1.022 199 S CA 0.949 59.253 58.200 0.173 0.000 0.983 199 S CB -0.053 63.172 63.200 0.042 0.000 0.803 199 S HN 0.261 nan 8.310 nan 0.000 0.480 200 K N -0.226 120.215 120.400 0.068 0.000 3.500 200 K HA -0.100 4.220 4.320 -0.000 0.000 0.313 200 K C -0.384 176.228 176.600 0.020 0.000 1.338 200 K CA 0.733 57.063 56.287 0.072 0.000 0.963 200 K CB -2.282 30.291 32.500 0.121 0.000 1.267 200 K HN 0.545 nan 8.250 nan 0.000 0.448 201 L N 2.167 123.328 121.223 -0.102 0.000 2.357 201 L HA 0.357 4.697 4.340 -0.000 0.000 0.273 201 L C -1.504 175.217 176.870 -0.247 0.000 1.080 201 L CA -1.779 52.919 54.840 -0.235 0.000 0.803 201 L CB 0.782 42.587 42.059 -0.423 0.000 1.174 201 L HN -0.108 nan 8.230 nan 0.000 0.443 202 P HA 0.171 nan 4.420 nan 0.000 0.281 202 P C -1.260 175.735 177.300 -0.509 0.000 1.264 202 P CA -0.405 62.283 63.100 -0.686 0.000 0.824 202 P CB 1.281 31.941 31.700 -1.733 0.000 1.092 203 F N 1.144 120.767 119.950 -0.545 0.000 2.366 203 F HA 0.637 5.164 4.527 -0.000 0.000 0.366 203 F C -0.178 175.511 175.800 -0.185 0.000 1.096 203 F CA -0.950 56.875 58.000 -0.291 0.000 1.060 203 F CB 0.632 39.547 39.000 -0.141 0.000 1.282 203 F HN 0.457 nan 8.300 nan 0.000 0.450 204 G N 5.373 114.260 108.800 0.145 0.000 2.672 204 G HA2 0.665 4.625 3.960 -0.000 0.000 0.292 204 G HA3 0.665 4.625 3.960 -0.000 0.000 0.292 204 G C -2.196 172.807 174.900 0.171 0.000 1.375 204 G CA -0.827 44.396 45.100 0.206 0.000 0.890 204 G HN 0.454 nan 8.290 nan 0.000 0.476 205 L N 0.752 122.071 121.223 0.161 0.000 2.356 205 L HA 0.452 4.792 4.340 -0.000 0.000 0.277 205 L C -0.468 176.458 176.870 0.093 0.000 0.996 205 L CA -1.099 53.801 54.840 0.100 0.000 0.822 205 L CB 2.285 44.365 42.059 0.035 0.000 1.256 205 L HN 0.208 nan 8.230 nan 0.000 0.413 206 V N 4.941 124.900 119.914 0.075 0.000 2.353 206 V HA 0.350 4.470 4.120 -0.000 0.000 0.264 206 V C 0.215 176.331 176.094 0.036 0.000 1.049 206 V CA -0.070 62.270 62.300 0.067 0.000 0.896 206 V CB 0.851 32.706 31.823 0.054 0.000 1.025 206 V HN 0.486 nan 8.190 nan 0.000 0.475 207 I N 5.578 126.168 120.570 0.032 0.000 2.378 207 I HA 0.596 4.766 4.170 -0.000 0.000 0.291 207 I C 0.178 176.373 176.117 0.129 0.000 0.992 207 I CA -0.487 60.826 61.300 0.022 0.000 1.154 207 I CB 1.534 39.449 38.000 -0.141 0.000 1.315 207 I HN 0.517 nan 8.210 nan 0.000 0.448 208 R N 7.726 128.280 120.500 0.089 0.000 2.545 208 R HA 0.369 4.709 4.340 -0.000 0.000 0.289 208 R C -2.379 173.956 176.300 0.058 0.000 1.327 208 R CA -1.296 54.858 56.100 0.090 0.000 1.040 208 R CB 1.643 31.923 30.300 -0.033 0.000 1.176 208 R HN 0.237 nan 8.270 nan 0.000 0.518 209 P HA -0.094 nan 4.420 nan 0.000 0.218 209 P C -0.773 176.446 177.300 -0.135 0.000 1.149 209 P CA 1.214 64.355 63.100 0.068 0.000 0.817 209 P CB 0.158 31.919 31.700 0.101 0.000 0.785 210 Y N -1.551 118.760 120.300 0.018 0.000 2.446 210 Y HA 0.311 4.861 4.550 -0.000 0.000 0.345 210 Y C 1.399 177.193 175.900 -0.177 0.000 0.984 210 Y CA -0.640 57.445 58.100 -0.024 0.000 1.058 210 Y CB 1.534 40.013 38.460 0.031 0.000 1.220 210 Y HN -0.278 nan 8.280 nan 0.000 0.455 211 Q N 1.135 120.850 119.800 -0.141 0.000 2.352 211 Q HA 0.178 4.518 4.340 -0.000 0.000 0.212 211 Q C -0.237 175.330 176.000 -0.722 0.000 0.888 211 Q CA 0.631 56.156 55.803 -0.463 0.000 0.934 211 Q CB 0.793 29.163 28.738 -0.614 0.000 1.093 211 Q HN 0.675 nan 8.270 nan 0.000 0.523 212 H N -1.176 117.935 119.070 0.069 0.000 2.977 212 H HA 0.279 4.835 4.556 -0.000 0.000 0.350 212 H C 0.782 176.076 175.328 -0.058 0.000 1.238 212 H CA -0.630 55.435 56.048 0.029 0.000 1.124 212 H CB 1.250 31.055 29.762 0.070 0.000 1.866 212 H HN -0.132 nan 8.280 nan 0.000 0.550 213 L N 0.066 121.209 121.223 -0.132 0.000 2.376 213 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 213 L C -0.190 176.307 176.870 -0.623 0.000 1.133 213 L CA 1.166 55.720 54.840 -0.476 0.000 0.816 213 L CB -0.161 41.411 42.059 -0.812 0.000 0.933 213 L HN 0.333 nan 8.230 nan 0.000 0.449 214 Y N -1.458 118.934 120.300 0.154 0.000 2.338 214 Y HA 0.194 4.743 4.550 -0.000 0.000 0.333 214 Y C 0.625 176.608 175.900 0.139 0.000 0.968 214 Y CA -1.196 56.977 58.100 0.121 0.000 1.123 214 Y CB 0.996 39.508 38.460 0.087 0.000 1.165 214 Y HN -0.138 nan 8.280 nan 0.000 0.452 215 D N 1.057 121.606 120.400 0.248 0.000 2.311 215 D HA -0.170 4.470 4.640 -0.000 0.000 0.212 215 D C 1.321 177.705 176.300 0.139 0.000 0.972 215 D CA 1.435 55.556 54.000 0.201 0.000 0.887 215 D CB -0.094 40.791 40.800 0.142 0.000 0.915 215 D HN 0.738 nan 8.370 nan 0.000 0.497 216 D N 0.016 120.489 120.400 0.121 0.000 2.371 216 D HA -0.102 4.538 4.640 -0.000 0.000 0.221 216 D C 0.605 176.935 176.300 0.049 0.000 0.986 216 D CA 0.031 54.066 54.000 0.059 0.000 0.899 216 D CB -0.328 40.495 40.800 0.038 0.000 0.902 216 D HN 0.220 nan 8.370 nan 0.000 0.530 217 I N 1.437 122.049 120.570 0.069 0.000 2.297 217 I HA 0.047 4.217 4.170 -0.000 0.000 0.291 217 I C 0.191 176.293 176.117 -0.025 0.000 1.033 217 I CA -0.437 60.829 61.300 -0.056 0.000 1.253 217 I CB 0.664 38.515 38.000 -0.248 0.000 1.396 217 I HN -0.166 nan 8.210 nan 0.000 0.476 218 D N 5.449 125.840 120.400 -0.016 0.000 2.697 218 D HA -0.123 4.517 4.640 -0.000 0.000 0.235 218 D C -2.125 174.250 176.300 0.126 0.000 1.167 218 D CA 0.088 54.123 54.000 0.058 0.000 0.656 218 D CB -0.201 40.654 40.800 0.090 0.000 1.025 218 D HN 0.246 nan 8.370 nan 0.000 0.419 219 P HA 0.308 nan 4.420 nan 0.000 0.274 219 P C -2.299 175.025 177.300 0.039 0.000 1.237 219 P CA -0.913 62.236 63.100 0.083 0.000 0.793 219 P CB 0.317 32.047 31.700 0.049 0.000 0.977 220 P HA 0.324 nan 4.420 nan 0.000 0.276 220 P C -2.451 174.792 177.300 -0.095 0.000 1.261 220 P CA -1.452 61.599 63.100 -0.082 0.000 0.800 220 P CB -1.019 30.563 31.700 -0.197 0.000 1.066 221 P HA 0.106 nan 4.420 nan 0.000 0.267 221 P C -1.008 176.202 177.300 -0.149 0.000 1.200 221 P CA 0.191 63.218 63.100 -0.122 0.000 0.772 221 P CB 0.216 31.833 31.700 -0.138 0.000 0.855 222 L N 3.608 124.760 121.223 -0.119 0.000 2.343 222 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 222 L C -0.482 176.322 176.870 -0.110 0.000 0.996 222 L CA -0.566 54.203 54.840 -0.117 0.000 0.831 222 L CB 0.733 42.751 42.059 -0.069 0.000 1.232 222 L HN 0.165 nan 8.230 nan 0.000 0.413 223 N N 2.731 121.341 118.700 -0.149 0.000 2.525 223 N HA 0.314 5.054 4.740 -0.000 0.000 0.271 223 N C 0.202 175.711 175.510 -0.003 0.000 1.194 223 N CA 0.070 53.067 53.050 -0.090 0.000 0.964 223 N CB 1.000 39.409 38.487 -0.130 0.000 1.126 223 N HN 0.657 nan 8.380 nan 0.000 0.452 224 E N -0.653 119.557 120.200 0.016 0.000 2.665 224 E HA -0.020 4.330 4.350 -0.000 0.000 0.225 224 E C -0.262 176.362 176.600 0.040 0.000 0.922 224 E CA 0.078 56.495 56.400 0.028 0.000 1.242 224 E CB 0.377 30.083 29.700 0.010 0.000 1.197 224 E HN 0.658 nan 8.360 nan 0.000 0.581 225 D N 0.167 120.594 120.400 0.045 0.000 2.371 225 D HA -0.011 4.629 4.640 -0.000 0.000 0.221 225 D C 1.499 177.832 176.300 0.055 0.000 0.986 225 D CA 0.928 54.954 54.000 0.043 0.000 0.899 225 D CB -0.027 40.795 40.800 0.037 0.000 0.902 225 D HN 0.186 nan 8.370 nan 0.000 0.530 226 G N -0.213 108.632 108.800 0.075 0.000 2.184 226 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.264 226 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.264 226 G C 0.077 175.015 174.900 0.064 0.000 0.975 226 G CA 0.320 45.463 45.100 0.071 0.000 0.642 226 G HN 0.518 nan 8.290 nan 0.000 0.536 227 L N 1.982 123.249 121.223 0.073 0.000 2.361 227 L HA 0.603 4.943 4.340 -0.000 0.000 0.278 227 L C 0.030 176.921 176.870 0.034 0.000 1.113 227 L CA -0.486 54.388 54.840 0.057 0.000 0.849 227 L CB 0.385 42.478 42.059 0.057 0.000 1.155 227 L HN 0.141 nan 8.230 nan 0.000 0.452 228 I N 7.367 127.916 120.570 -0.036 0.000 2.537 228 I HA 0.185 4.355 4.170 -0.000 0.000 0.276 228 I C -0.415 175.651 176.117 -0.086 0.000 1.063 228 I CA -0.514 60.678 61.300 -0.180 0.000 1.144 228 I CB 1.216 39.067 38.000 -0.250 0.000 1.252 228 I HN 0.209 nan 8.210 nan 0.000 0.480 229 V N 7.359 127.245 119.914 -0.046 0.000 2.439 229 V HA 0.308 4.428 4.120 -0.000 0.000 0.271 229 V C 0.644 176.729 176.094 -0.015 0.000 1.040 229 V CA -0.229 62.067 62.300 -0.008 0.000 1.002 229 V CB 0.163 31.938 31.823 -0.079 0.000 1.000 229 V HN 0.581 nan 8.190 nan 0.000 0.477 230 R N 2.752 123.293 120.500 0.068 0.000 2.686 230 R HA 0.422 4.762 4.340 -0.000 0.000 0.283 230 R C -0.673 175.766 176.300 0.231 0.000 0.978 230 R CA -0.647 55.474 56.100 0.034 0.000 0.897 230 R CB 1.965 32.110 30.300 -0.258 0.000 1.192 230 R HN 0.734 nan 8.270 nan 0.000 0.457 231 C N 2.189 121.653 119.300 0.273 0.000 2.679 231 C HA 0.071 4.531 4.460 -0.000 0.000 0.417 231 C C 1.977 176.954 174.990 -0.021 0.000 1.302 231 C CA 0.061 59.122 59.018 0.071 0.000 1.973 231 C CB -0.035 27.731 27.740 0.044 0.000 2.715 231 C HN 0.848 nan 8.230 nan 0.000 0.628 232 R N 1.695 122.150 120.500 -0.075 0.000 2.075 232 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 232 R C 2.438 178.706 176.300 -0.053 0.000 1.126 232 R CA 1.725 57.788 56.100 -0.061 0.000 0.963 232 R CB -0.159 30.097 30.300 -0.073 0.000 0.858 232 R HN 0.791 nan 8.270 nan 0.000 0.435 233 R N 0.507 120.973 120.500 -0.056 0.000 2.046 233 R HA -0.096 4.244 4.340 -0.000 0.000 0.223 233 R C 2.598 178.885 176.300 -0.021 0.000 1.179 233 R CA 1.736 57.814 56.100 -0.036 0.000 0.952 233 R CB -0.475 29.805 30.300 -0.033 0.000 0.843 233 R HN 0.423 nan 8.270 nan 0.000 0.439 234 C N 0.204 119.498 119.300 -0.009 0.000 2.464 234 C HA 0.327 4.787 4.460 -0.000 0.000 0.278 234 C C 0.779 175.752 174.990 -0.030 0.000 1.375 234 C CA -0.056 58.962 59.018 -0.001 0.000 1.761 234 C CB -0.274 27.487 27.740 0.035 0.000 1.944 234 C HN 0.670 nan 8.230 nan 0.000 0.509 235 R N -0.022 120.453 120.500 -0.041 0.000 3.804 235 R HA -0.126 4.214 4.340 -0.000 0.000 0.459 235 R C 0.184 176.394 176.300 -0.150 0.000 1.009 235 R CA 1.034 57.079 56.100 -0.091 0.000 1.210 235 R CB -3.037 27.218 30.300 -0.076 0.000 1.860 235 R HN 0.654 nan 8.270 nan 0.000 0.526 236 S N 1.085 116.732 115.700 -0.088 0.000 2.568 236 S HA 0.310 4.780 4.470 -0.000 0.000 0.282 236 S C 0.242 174.857 174.600 0.024 0.000 1.338 236 S CA -0.154 57.987 58.200 -0.098 0.000 1.045 236 S CB 0.306 63.301 63.200 -0.341 0.000 0.873 236 S HN 0.109 nan 8.310 nan 0.000 0.516 237 Y N 1.109 121.407 120.300 -0.005 0.000 2.307 237 Y HA 0.351 4.902 4.550 0.000 0.000 0.324 237 Y C 0.606 176.519 175.900 0.021 0.000 1.238 237 Y CA -1.138 56.977 58.100 0.024 0.000 1.280 237 Y CB 0.342 38.812 38.460 0.018 0.000 1.248 237 Y HN 0.528 nan 8.280 nan 0.000 0.508 238 M N 3.791 123.407 119.600 0.026 0.000 2.248 238 M HA 0.044 4.524 4.480 -0.000 0.000 0.343 238 M C -0.786 175.476 176.300 -0.063 0.000 1.243 238 M CA 0.226 55.373 55.300 -0.256 0.000 1.025 238 M CB -0.662 31.739 32.600 -0.332 0.000 1.759 238 M HN 0.835 nan 8.290 nan 0.000 0.452 239 N N 3.588 122.211 118.700 -0.129 0.000 2.732 239 N HA 0.621 5.361 4.740 -0.000 0.000 0.259 239 N C -2.865 172.499 175.510 -0.242 0.000 1.402 239 N CA -1.488 51.518 53.050 -0.072 0.000 0.829 239 N CB 0.877 39.456 38.487 0.153 0.000 1.495 239 N HN 0.259 nan 8.380 nan 0.000 0.511 240 P HA 0.011 nan 4.420 nan 0.000 0.229 240 P C -0.406 176.400 177.300 -0.823 0.000 1.150 240 P CA 1.083 63.802 63.100 -0.636 0.000 0.765 240 P CB -0.126 31.091 31.700 -0.805 0.000 0.783 241 F N -2.077 117.782 119.950 -0.153 0.000 2.653 241 F HA 0.090 4.617 4.527 -0.000 0.000 0.304 241 F C 1.319 176.946 175.800 -0.289 0.000 1.092 241 F CA -0.570 57.312 58.000 -0.198 0.000 1.279 241 F CB -0.320 38.569 39.000 -0.185 0.000 1.044 241 F HN -0.265 nan 8.300 nan 0.000 0.564 242 V N -1.398 118.395 119.914 -0.202 0.000 3.133 242 V HA 0.482 4.602 4.120 -0.000 0.000 0.305 242 V C 0.186 176.118 176.094 -0.269 0.000 1.084 242 V CA -0.261 61.926 62.300 -0.188 0.000 1.089 242 V CB 1.088 32.767 31.823 -0.241 0.000 1.073 242 V HN 0.069 nan 8.190 nan 0.000 0.477 243 T N 3.379 117.839 114.554 -0.157 0.000 2.812 243 T HA 0.565 4.915 4.350 -0.000 0.000 0.282 243 T C -0.667 174.006 174.700 -0.045 0.000 0.990 243 T CA 0.041 62.072 62.100 -0.115 0.000 0.960 243 T CB 0.787 69.653 68.868 -0.002 0.000 0.948 243 T HN 0.515 nan 8.240 nan 0.000 0.438 244 F N 4.296 124.320 119.950 0.123 0.000 2.424 244 F HA 0.505 5.032 4.527 -0.000 0.000 0.356 244 F C 0.844 176.711 175.800 0.113 0.000 1.110 244 F CA -0.991 57.093 58.000 0.140 0.000 1.161 244 F CB 0.565 39.634 39.000 0.116 0.000 1.115 244 F HN 0.430 nan 8.300 nan 0.000 0.507 245 I N -0.991 119.763 120.570 0.308 0.000 2.910 245 I HA 0.526 4.696 4.170 -0.000 0.000 0.310 245 I C -0.745 175.459 176.117 0.145 0.000 1.043 245 I CA -1.086 60.322 61.300 0.179 0.000 1.053 245 I CB 1.791 39.862 38.000 0.118 0.000 1.242 245 I HN 0.675 nan 8.210 nan 0.000 0.452 246 E N 2.727 122.985 120.200 0.098 0.000 2.302 246 E HA -0.241 4.109 4.350 -0.000 0.000 0.186 246 E C -0.478 176.160 176.600 0.064 0.000 1.444 246 E CA 0.549 56.990 56.400 0.069 0.000 0.671 246 E CB -1.201 28.534 29.700 0.058 0.000 1.122 246 E HN 0.768 nan 8.360 nan 0.000 0.366 247 Q N -1.644 118.193 119.800 0.061 0.000 2.450 247 Q HA -0.289 4.051 4.340 -0.000 0.000 0.255 247 Q C 0.903 176.921 176.000 0.030 0.000 1.003 247 Q CA 1.867 57.695 55.803 0.043 0.000 1.097 247 Q CB -1.772 26.981 28.738 0.025 0.000 1.544 247 Q HN 1.214 nan 8.270 nan 0.000 0.531 248 G N -0.852 107.984 108.800 0.059 0.000 2.160 248 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.244 248 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.244 248 G C 0.564 175.430 174.900 -0.057 0.000 1.022 248 G CA 0.461 45.545 45.100 -0.027 0.000 0.741 248 G HN 0.451 nan 8.290 nan 0.000 0.508 249 R N -0.946 119.575 120.500 0.036 0.000 2.254 249 R HA 0.231 4.571 4.340 -0.000 0.000 0.195 249 R C 1.197 177.562 176.300 0.109 0.000 0.957 249 R CA 0.444 56.569 56.100 0.042 0.000 1.024 249 R CB 0.403 30.724 30.300 0.035 0.000 0.952 249 R HN 0.360 nan 8.270 nan 0.000 0.484 250 R N 0.422 121.029 120.500 0.178 0.000 2.740 250 R HA 0.285 4.625 4.340 -0.000 0.000 0.273 250 R C -1.467 175.083 176.300 0.416 0.000 0.998 250 R CA -0.761 55.477 56.100 0.230 0.000 0.900 250 R CB 2.014 32.363 30.300 0.081 0.000 1.223 250 R HN 0.041 nan 8.270 nan 0.000 0.466 251 W N 1.193 122.613 121.300 0.200 0.000 2.736 251 W HA 0.570 5.230 4.660 -0.000 0.000 0.335 251 W C -0.940 175.603 176.519 0.040 0.000 1.059 251 W CA -1.117 56.318 57.345 0.151 0.000 1.226 251 W CB 0.847 30.371 29.460 0.106 0.000 1.416 251 W HN 0.418 nan 8.180 nan 0.000 0.505 252 R N 2.788 123.362 120.500 0.123 0.000 2.207 252 R HA 0.375 4.715 4.340 -0.000 0.000 0.334 252 R C -0.176 176.157 176.300 0.056 0.000 1.013 252 R CA -0.292 55.794 56.100 -0.023 0.000 0.858 252 R CB 0.756 31.063 30.300 0.011 0.000 1.094 252 R HN 0.684 nan 8.270 nan 0.000 0.457 253 C N 5.714 124.962 119.300 -0.087 0.000 2.596 253 C HA 0.026 4.486 4.460 -0.000 0.000 0.414 253 C C 1.676 176.699 174.990 0.054 0.000 1.396 253 C CA -0.460 58.624 59.018 0.110 0.000 1.698 253 C CB -0.462 27.278 27.740 -0.000 0.000 2.572 253 C HN 1.006 nan 8.230 nan 0.000 0.604 254 N N 3.769 122.449 118.700 -0.033 0.000 2.467 254 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 254 N C 0.945 176.160 175.510 -0.492 0.000 1.106 254 N CA 1.012 53.815 53.050 -0.411 0.000 0.892 254 N CB -0.211 37.731 38.487 -0.908 0.000 0.969 254 N HN 0.763 nan 8.380 nan 0.000 0.454 255 F N 0.905 120.822 119.950 -0.056 0.000 2.374 255 F HA 0.148 4.675 4.527 -0.000 0.000 0.291 255 F C 2.199 178.029 175.800 0.051 0.000 1.084 255 F CA 0.368 58.389 58.000 0.034 0.000 1.413 255 F CB 0.042 39.083 39.000 0.069 0.000 1.099 255 F HN 0.264 nan 8.300 nan 0.000 0.534 256 C N -1.291 118.128 119.300 0.198 0.000 3.642 256 C HA 0.501 4.961 4.460 -0.000 0.000 0.305 256 C C 1.208 176.225 174.990 0.045 0.000 1.492 256 C CA -0.645 58.439 59.018 0.110 0.000 1.809 256 C CB -0.601 27.192 27.740 0.089 0.000 2.639 256 C HN 0.574 nan 8.230 nan 0.000 0.672 257 R N -1.268 119.247 120.500 0.025 0.000 4.016 257 R HA -0.207 4.133 4.340 -0.000 0.000 0.385 257 R C -0.080 176.192 176.300 -0.046 0.000 1.158 257 R CA 0.911 57.008 56.100 -0.005 0.000 1.117 257 R CB -1.927 28.382 30.300 0.014 0.000 1.635 257 R HN 0.614 nan 8.270 nan 0.000 0.560 258 L N 1.252 122.427 121.223 -0.080 0.000 2.426 258 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 258 L C 0.378 177.110 176.870 -0.229 0.000 1.169 258 L CA 0.425 55.185 54.840 -0.134 0.000 0.836 258 L CB 0.845 42.819 42.059 -0.142 0.000 1.112 258 L HN 0.156 nan 8.230 nan 0.000 0.465 259 A N 5.407 128.109 122.820 -0.196 0.000 2.328 259 A HA 0.506 4.826 4.320 -0.000 0.000 0.284 259 A C -0.283 177.098 177.584 -0.337 0.000 1.160 259 A CA -0.511 51.388 52.037 -0.229 0.000 0.818 259 A CB -0.185 18.744 19.000 -0.119 0.000 1.087 259 A HN 0.871 nan 8.150 nan 0.000 0.504 260 N N 1.493 119.865 118.700 -0.547 0.000 2.265 260 N HA 0.273 5.013 4.740 -0.000 0.000 0.300 260 N C -1.622 173.711 175.510 -0.296 0.000 1.148 260 N CA -0.697 52.001 53.050 -0.587 0.000 0.772 260 N CB 1.884 39.632 38.487 -1.232 0.000 1.434 260 N HN 0.615 nan 8.380 nan 0.000 0.481 261 D N 1.011 121.365 120.400 -0.076 0.000 2.264 261 D HA 0.154 4.794 4.640 -0.000 0.000 0.250 261 D C -0.015 176.432 176.300 0.245 0.000 1.113 261 D CA -0.126 53.917 54.000 0.071 0.000 0.871 261 D CB 1.908 42.735 40.800 0.044 0.000 1.167 261 D HN 0.066 nan 8.370 nan 0.000 0.447 262 V N 4.417 124.499 119.914 0.279 0.000 2.455 262 V HA 0.142 4.262 4.120 -0.000 0.000 0.273 262 V C -1.856 174.320 176.094 0.135 0.000 1.045 262 V CA -1.279 61.191 62.300 0.283 0.000 0.976 262 V CB 0.589 32.509 31.823 0.163 0.000 0.993 262 V HN 0.371 nan 8.190 nan 0.000 0.475 263 P HA 0.110 nan 4.420 nan 0.000 0.268 263 P C 0.859 178.177 177.300 0.031 0.000 1.205 263 P CA -0.117 63.024 63.100 0.068 0.000 0.771 263 P CB 0.490 32.229 31.700 0.065 0.000 0.858 264 M N 2.050 121.663 119.600 0.022 0.000 2.358 264 M HA -0.224 4.256 4.480 -0.000 0.000 0.264 264 M C 1.633 177.934 176.300 0.001 0.000 1.064 264 M CA 1.634 56.937 55.300 0.006 0.000 1.093 264 M CB -0.164 32.440 32.600 0.007 0.000 1.401 264 M HN 0.427 nan 8.290 nan 0.000 0.440 265 Q N -0.071 119.735 119.800 0.009 0.000 2.226 265 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 265 Q C 1.703 177.702 176.000 -0.000 0.000 0.975 265 Q CA 1.135 56.943 55.803 0.008 0.000 0.866 265 Q CB -0.053 28.695 28.738 0.017 0.000 0.915 265 Q HN 0.598 nan 8.270 nan 0.000 0.440 266 M N 0.408 120.003 119.600 -0.009 0.000 2.706 266 M HA -0.103 4.377 4.480 -0.000 0.000 0.251 266 M C -0.280 175.996 176.300 -0.040 0.000 1.070 266 M CA 1.018 56.300 55.300 -0.030 0.000 1.073 266 M CB 0.098 32.663 32.600 -0.057 0.000 1.449 266 M HN -0.022 nan 8.290 nan 0.000 0.531 267 D N 0.495 120.878 120.400 -0.028 0.000 2.945 267 D HA 0.268 4.908 4.640 -0.000 0.000 0.366 267 D C 0.035 176.328 176.300 -0.011 0.000 1.352 267 D CA 0.082 54.068 54.000 -0.024 0.000 0.810 267 D CB 0.653 41.434 40.800 -0.033 0.000 1.170 267 D HN 0.345 nan 8.370 nan 0.000 0.461 275 K N 0.403 120.805 120.400 0.004 0.000 2.532 275 K HA 0.799 5.119 4.320 -0.000 0.000 0.265 275 K C -0.354 176.258 176.600 0.019 0.000 0.948 275 K CA -0.910 55.384 56.287 0.011 0.000 0.842 275 K CB 2.374 34.879 32.500 0.008 0.000 1.392 275 K HN 0.388 nan 8.250 nan 0.000 0.436 276 S N -0.161 115.563 115.700 0.040 0.000 2.768 276 S HA 0.296 4.766 4.470 -0.000 0.000 0.300 276 S C 1.095 175.734 174.600 0.065 0.000 1.122 276 S CA -0.868 57.368 58.200 0.060 0.000 0.995 276 S CB 1.183 64.444 63.200 0.102 0.000 1.195 276 S HN 0.812 nan 8.310 nan 0.000 0.547 277 R N -0.633 119.895 120.500 0.047 0.000 2.159 277 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 277 R C 1.018 177.276 176.300 -0.069 0.000 1.131 277 R CA 1.616 57.683 56.100 -0.055 0.000 0.982 277 R CB -1.037 29.148 30.300 -0.192 0.000 0.868 277 R HN 0.689 nan 8.270 nan 0.000 0.453 278 Y N 1.350 121.646 120.300 -0.006 0.000 2.632 278 Y HA 0.007 4.557 4.550 -0.000 0.000 0.301 278 Y C 1.127 177.014 175.900 -0.020 0.000 1.172 278 Y CA 0.627 58.728 58.100 0.002 0.000 1.328 278 Y CB 0.111 38.575 38.460 0.007 0.000 1.016 278 Y HN 0.133 nan 8.280 nan 0.000 0.529 279 D N -0.252 120.204 120.400 0.093 0.000 2.349 279 D HA 0.053 4.693 4.640 -0.000 0.000 0.214 279 D C 0.317 176.612 176.300 -0.008 0.000 1.063 279 D CA 0.219 54.241 54.000 0.037 0.000 0.847 279 D CB 0.209 41.025 40.800 0.027 0.000 0.933 279 D HN 0.282 nan 8.370 nan 0.000 0.513 280 R N 1.202 121.686 120.500 -0.027 0.000 2.357 280 R HA 0.205 4.545 4.340 -0.000 0.000 0.296 280 R C 1.199 177.441 176.300 -0.097 0.000 1.052 280 R CA -0.501 55.562 56.100 -0.062 0.000 0.988 280 R CB 0.829 31.091 30.300 -0.063 0.000 1.025 280 R HN -0.109 nan 8.270 nan 0.000 0.469 281 N N 2.824 121.448 118.700 -0.127 0.000 2.069 281 N HA -0.224 4.515 4.740 -0.000 0.000 0.191 281 N C 1.416 176.806 175.510 -0.200 0.000 1.031 281 N CA 1.610 54.558 53.050 -0.171 0.000 0.852 281 N CB -0.065 38.289 38.487 -0.221 0.000 1.018 281 N HN 0.669 nan 8.380 nan 0.000 0.423 282 E N 0.792 120.859 120.200 -0.222 0.000 2.267 282 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 282 E C 1.716 178.220 176.600 -0.161 0.000 0.998 282 E CA 0.945 57.239 56.400 -0.178 0.000 0.830 282 E CB -0.329 29.343 29.700 -0.046 0.000 0.751 282 E HN 0.472 nan 8.360 nan 0.000 0.491 283 I N -0.019 120.450 120.570 -0.169 0.000 3.708 283 I HA -0.013 4.157 4.170 -0.000 0.000 0.302 283 I C 2.179 178.188 176.117 -0.181 0.000 1.255 283 I CA 0.138 61.316 61.300 -0.204 0.000 1.362 283 I CB 0.193 38.060 38.000 -0.222 0.000 1.100 283 I HN -0.034 nan 8.210 nan 0.000 0.434 284 K N 0.012 120.329 120.400 -0.139 0.000 2.211 284 K HA 0.133 4.453 4.320 -0.000 0.000 0.201 284 K C 0.376 176.897 176.600 -0.131 0.000 1.052 284 K CA 0.512 56.733 56.287 -0.110 0.000 0.973 284 K CB 0.306 32.761 32.500 -0.075 0.000 0.766 284 K HN 0.258 nan 8.250 nan 0.000 0.466 285 C N 0.161 119.371 119.300 -0.150 0.000 2.456 285 C HA 0.518 4.978 4.460 -0.000 0.000 0.325 285 C C 1.514 176.416 174.990 -0.146 0.000 1.217 285 C CA -1.037 57.894 59.018 -0.145 0.000 1.687 285 C CB 1.302 28.950 27.740 -0.154 0.000 2.270 285 C HN 0.412 nan 8.230 nan 0.000 0.499 286 A N 1.748 124.504 122.820 -0.106 0.000 1.930 286 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 286 A C 0.689 178.212 177.584 -0.101 0.000 1.176 286 A CA 1.205 53.219 52.037 -0.038 0.000 0.632 286 A CB -0.129 18.906 19.000 0.058 0.000 0.819 286 A HN 0.704 nan 8.150 nan 0.000 0.445 287 V N 1.514 121.310 119.914 -0.196 0.000 2.334 287 V HA 0.575 4.695 4.120 -0.000 0.000 0.281 287 V C -0.343 175.555 176.094 -0.327 0.000 1.016 287 V CA -0.074 62.019 62.300 -0.346 0.000 0.832 287 V CB 0.533 31.982 31.823 -0.623 0.000 0.999 287 V HN 0.697 nan 8.190 nan 0.000 0.439 288 M N 2.994 122.402 119.600 -0.320 0.000 2.924 288 M HA 0.796 5.276 4.480 -0.000 0.000 0.271 288 M C -1.024 175.071 176.300 -0.342 0.000 1.280 288 M CA -0.688 54.417 55.300 -0.325 0.000 0.813 288 M CB 1.859 34.249 32.600 -0.349 0.000 1.658 288 M HN 0.362 nan 8.290 nan 0.000 0.467 289 E N -0.663 119.322 120.200 -0.357 0.000 2.383 289 E HA 0.684 5.034 4.350 -0.000 0.000 0.275 289 E C -2.092 174.336 176.600 -0.286 0.000 0.918 289 E CA -0.619 55.623 56.400 -0.263 0.000 0.764 289 E CB 2.107 31.710 29.700 -0.162 0.000 1.252 289 E HN 0.668 nan 8.360 nan 0.000 0.449 290 Y N 0.842 121.061 120.300 -0.135 0.000 2.562 290 Y HA 0.451 5.001 4.550 -0.000 0.000 0.343 290 Y C 0.117 175.960 175.900 -0.095 0.000 1.025 290 Y CA -1.187 56.849 58.100 -0.106 0.000 1.082 290 Y CB 1.458 39.849 38.460 -0.114 0.000 1.264 290 Y HN 0.302 nan 8.280 nan 0.000 0.478 291 M N 2.195 121.867 119.600 0.120 0.000 2.080 291 M HA 0.416 4.896 4.480 -0.000 0.000 0.350 291 M C -0.181 176.138 176.300 0.031 0.000 1.173 291 M CA -0.755 54.576 55.300 0.052 0.000 1.052 291 M CB 0.721 33.348 32.600 0.045 0.000 1.577 291 M HN 0.820 nan 8.290 nan 0.000 0.455 292 A N 6.883 129.694 122.820 -0.014 0.000 2.440 292 A HA 0.587 4.907 4.320 -0.000 0.000 0.251 292 A C -2.186 175.444 177.584 0.077 0.000 1.089 292 A CA -0.869 51.133 52.037 -0.058 0.000 0.779 292 A CB -0.474 18.465 19.000 -0.101 0.000 1.022 292 A HN 0.498 nan 8.150 nan 0.000 0.492 293 P HA 0.122 nan 4.420 nan 0.000 0.282 293 P C 0.805 178.213 177.300 0.181 0.000 1.286 293 P CA -0.320 62.885 63.100 0.174 0.000 0.777 293 P CB 0.495 32.316 31.700 0.203 0.000 1.184 294 K N 0.801 121.264 120.400 0.105 0.000 2.026 294 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 294 K C 1.358 177.987 176.600 0.048 0.000 1.048 294 K CA 1.472 57.800 56.287 0.069 0.000 0.929 294 K CB -0.712 31.810 32.500 0.036 0.000 0.713 294 K HN 0.365 nan 8.250 nan 0.000 0.439 295 E N 0.777 120.972 120.200 -0.008 0.000 2.501 295 E HA -0.209 4.141 4.350 -0.000 0.000 0.203 295 E C 0.553 177.018 176.600 -0.223 0.000 1.072 295 E CA 0.988 57.309 56.400 -0.133 0.000 0.885 295 E CB -0.424 29.142 29.700 -0.224 0.000 0.813 295 E HN 0.618 nan 8.360 nan 0.000 0.556 296 Y N 1.561 121.862 120.300 0.002 0.000 2.493 296 Y HA 0.128 4.678 4.550 -0.000 0.000 0.275 296 Y C 0.684 176.591 175.900 0.012 0.000 1.183 296 Y CA 0.369 58.474 58.100 0.009 0.000 1.258 296 Y CB 0.660 39.129 38.460 0.015 0.000 1.108 296 Y HN 0.036 nan 8.280 nan 0.000 0.521 297 T N -3.301 111.315 114.554 0.103 0.000 2.912 297 T HA 0.488 4.838 4.350 -0.000 0.000 0.299 297 T C 0.203 174.921 174.700 0.031 0.000 1.052 297 T CA -0.684 61.458 62.100 0.070 0.000 0.996 297 T CB 1.582 70.492 68.868 0.070 0.000 1.070 297 T HN 0.089 nan 8.240 nan 0.000 0.465 298 L N 0.496 121.733 121.223 0.024 0.000 2.435 298 L HA 0.388 4.727 4.340 -0.000 0.000 0.195 298 L C 1.298 178.175 176.870 0.011 0.000 1.072 298 L CA -0.184 54.662 54.840 0.009 0.000 0.833 298 L CB 0.067 42.128 42.059 0.004 0.000 1.081 298 L HN 0.701 nan 8.230 nan 0.000 0.485 299 R N 0.101 120.610 120.500 0.015 0.000 2.787 299 R HA 0.420 4.760 4.340 -0.000 0.000 0.271 299 R C -0.724 175.589 176.300 0.021 0.000 0.993 299 R CA -0.753 55.355 56.100 0.014 0.000 0.993 299 R CB 0.881 31.186 30.300 0.008 0.000 1.155 299 R HN -0.024 nan 8.270 nan 0.000 0.486 300 Q N 1.484 121.297 119.800 0.021 0.000 2.330 300 Q HA 0.123 4.463 4.340 -0.000 0.000 0.279 300 Q C -1.988 174.029 176.000 0.028 0.000 1.024 300 Q CA -1.473 54.345 55.803 0.025 0.000 0.900 300 Q CB 0.197 28.949 28.738 0.023 0.000 1.221 300 Q HN 0.415 nan 8.270 nan 0.000 0.396 301 P HA -0.091 nan 4.420 nan 0.000 0.261 301 P C -2.388 174.933 177.300 0.035 0.000 1.165 301 P CA -0.303 62.820 63.100 0.037 0.000 0.759 301 P CB -0.055 31.669 31.700 0.040 0.000 0.772 302 P HA 0.391 nan 4.420 nan 0.000 0.281 302 P C -2.594 174.732 177.300 0.043 0.000 1.264 302 P CA -1.964 61.157 63.100 0.034 0.000 0.824 302 P CB -0.163 31.553 31.700 0.027 0.000 1.092 303 P HA 0.295 nan 4.420 nan 0.000 0.282 303 P C -0.926 176.411 177.300 0.061 0.000 1.259 303 P CA -0.648 62.484 63.100 0.052 0.000 0.826 303 P CB 0.422 32.156 31.700 0.056 0.000 1.064 304 A N 1.486 124.342 122.820 0.060 0.000 2.444 304 A HA 0.346 4.666 4.320 -0.000 0.000 0.287 304 A C 0.100 177.744 177.584 0.101 0.000 1.195 304 A CA 0.427 52.496 52.037 0.054 0.000 0.858 304 A CB -1.028 17.957 19.000 -0.024 0.000 1.117 304 A HN 0.432 nan 8.150 nan 0.000 0.521 305 T N 3.244 117.810 114.554 0.020 0.000 2.767 305 T HA 0.537 4.887 4.350 -0.000 0.000 0.284 305 T C -0.935 173.715 174.700 -0.084 0.000 0.973 305 T CA 0.302 62.431 62.100 0.048 0.000 0.996 305 T CB 0.226 69.110 68.868 0.028 0.000 0.927 305 T HN 0.431 nan 8.240 nan 0.000 0.456 306 Y N 0.675 121.007 120.300 0.053 0.000 2.446 306 Y HA 0.585 5.135 4.550 0.000 0.000 0.345 306 Y C 0.111 175.948 175.900 -0.105 0.000 0.984 306 Y CA -1.233 56.817 58.100 -0.083 0.000 1.058 306 Y CB 1.688 40.064 38.460 -0.141 0.000 1.220 306 Y HN 0.678 nan 8.280 nan 0.000 0.455 307 C N 5.001 124.257 119.300 -0.073 0.000 2.478 307 C HA 0.605 5.065 4.460 -0.000 0.000 0.334 307 C C -1.311 173.629 174.990 -0.082 0.000 1.106 307 C CA -1.092 57.939 59.018 0.021 0.000 1.363 307 C CB -1.606 26.185 27.740 0.085 0.000 1.941 307 C HN 0.689 nan 8.230 nan 0.000 0.436 308 F N 5.789 125.882 119.950 0.238 0.000 2.413 308 F HA 0.408 4.936 4.527 0.000 0.000 0.359 308 F C 0.390 176.310 175.800 0.200 0.000 1.122 308 F CA -0.292 57.853 58.000 0.241 0.000 1.160 308 F CB 0.909 40.041 39.000 0.220 0.000 1.146 308 F HN 0.478 nan 8.300 nan 0.000 0.514 309 L N 6.349 127.763 121.223 0.318 0.000 2.287 309 L HA 0.514 4.854 4.340 -0.000 0.000 0.280 309 L C -0.799 176.239 176.870 0.279 0.000 1.055 309 L CA -0.190 54.806 54.840 0.258 0.000 0.863 309 L CB -0.106 42.086 42.059 0.222 0.000 1.245 309 L HN 0.504 nan 8.230 nan 0.000 0.432 310 I N 3.367 124.074 120.570 0.228 0.000 2.353 310 I HA 0.191 4.361 4.170 -0.000 0.000 0.293 310 I C -0.174 175.999 176.117 0.093 0.000 0.992 310 I CA -0.661 60.719 61.300 0.132 0.000 1.268 310 I CB 1.483 39.523 38.000 0.068 0.000 1.387 310 I HN 0.500 nan 8.210 nan 0.000 0.478 311 D N 6.369 126.736 120.400 -0.056 0.000 2.338 311 D HA 0.110 4.750 4.640 -0.000 0.000 0.255 311 D C 0.553 176.730 176.300 -0.204 0.000 1.237 311 D CA -0.299 53.559 54.000 -0.236 0.000 0.883 311 D CB 1.153 41.441 40.800 -0.853 0.000 1.087 311 D HN 0.341 nan 8.370 nan 0.000 0.485 312 V N 1.999 121.807 119.914 -0.177 0.000 3.177 312 V HA 0.251 4.371 4.120 -0.000 0.000 0.342 312 V C 0.688 176.679 176.094 -0.171 0.000 1.379 312 V CA -0.078 62.038 62.300 -0.307 0.000 1.191 312 V CB -1.109 30.174 31.823 -0.900 0.000 1.167 312 V HN 0.466 nan 8.190 nan 0.000 0.471 313 S N -0.796 114.853 115.700 -0.086 0.000 2.624 313 S HA 0.200 4.670 4.470 -0.000 0.000 0.263 313 S C 1.103 175.693 174.600 -0.016 0.000 1.287 313 S CA 0.433 58.626 58.200 -0.011 0.000 0.990 313 S CB 1.310 64.523 63.200 0.022 0.000 0.950 313 S HN 0.508 nan 8.310 nan 0.000 0.561 314 Q N 0.602 120.412 119.800 0.017 0.000 2.112 314 Q HA -0.157 4.183 4.340 -0.000 0.000 0.206 314 Q C 2.126 178.124 176.000 -0.002 0.000 0.987 314 Q CA 2.105 57.918 55.803 0.017 0.000 0.858 314 Q CB -0.514 28.242 28.738 0.029 0.000 0.905 314 Q HN 0.875 nan 8.270 nan 0.000 0.420 315 S N -0.070 115.622 115.700 -0.014 0.000 2.370 315 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 315 S C 1.942 176.519 174.600 -0.039 0.000 1.033 315 S CA 1.246 59.434 58.200 -0.021 0.000 1.011 315 S CB -0.347 62.836 63.200 -0.029 0.000 0.852 315 S HN 0.358 nan 8.310 nan 0.000 0.457 316 S N 0.910 116.562 115.700 -0.079 0.000 2.355 316 S HA -0.058 4.412 4.470 -0.000 0.000 0.222 316 S C 1.820 176.384 174.600 -0.059 0.000 1.031 316 S CA 0.851 58.986 58.200 -0.109 0.000 0.993 316 S CB -0.379 62.720 63.200 -0.169 0.000 0.859 316 S HN 0.306 nan 8.310 nan 0.000 0.453 317 I N 1.884 122.436 120.570 -0.030 0.000 2.076 317 I HA -0.170 4.000 4.170 -0.000 0.000 0.237 317 I C 2.361 178.477 176.117 -0.002 0.000 1.059 317 I CA 1.624 62.923 61.300 -0.002 0.000 1.317 317 I CB -1.544 36.471 38.000 0.025 0.000 1.037 317 I HN 0.330 nan 8.210 nan 0.000 0.398 318 K N 1.122 121.522 120.400 -0.000 0.000 2.044 318 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 318 K C 2.207 178.803 176.600 -0.007 0.000 1.049 318 K CA 2.181 58.467 56.287 -0.003 0.000 0.927 318 K CB -0.318 32.182 32.500 -0.001 0.000 0.713 318 K HN 0.467 nan 8.250 nan 0.000 0.443 319 S N -0.660 115.044 115.700 0.006 0.000 2.423 319 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 319 S C 1.583 176.218 174.600 0.058 0.000 1.014 319 S CA 1.016 59.232 58.200 0.027 0.000 0.965 319 S CB -0.085 63.184 63.200 0.116 0.000 0.785 319 S HN 0.512 nan 8.310 nan 0.000 0.495 320 G N 0.517 109.347 108.800 0.050 0.000 2.175 320 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 320 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 320 G C 0.479 175.411 174.900 0.053 0.000 0.982 320 G CA 0.341 45.470 45.100 0.048 0.000 0.641 320 G HN 0.613 nan 8.290 nan 0.000 0.527 321 L N 0.311 121.538 121.223 0.007 0.000 2.042 321 L HA 0.173 4.513 4.340 -0.000 0.000 0.210 321 L C 2.541 179.216 176.870 -0.325 0.000 1.076 321 L CA 2.936 57.553 54.840 -0.371 0.000 0.749 321 L CB -0.567 41.184 42.059 -0.513 0.000 0.893 321 L HN 0.438 nan 8.230 nan 0.000 0.432 322 L N -0.121 120.988 121.223 -0.190 0.000 1.994 322 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 322 L C 2.536 179.341 176.870 -0.108 0.000 1.071 322 L CA 2.182 56.936 54.840 -0.144 0.000 0.745 322 L CB -1.270 40.741 42.059 -0.079 0.000 0.892 322 L HN 0.288 nan 8.230 nan 0.000 0.431 323 A N -1.417 121.362 122.820 -0.069 0.000 1.865 323 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 323 A C 2.268 179.817 177.584 -0.058 0.000 1.191 323 A CA 2.626 54.635 52.037 -0.047 0.000 0.623 323 A CB -1.383 17.603 19.000 -0.024 0.000 0.826 323 A HN 0.534 nan 8.150 nan 0.000 0.444 324 T N -0.228 114.290 114.554 -0.060 0.000 2.720 324 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 324 T C 1.983 176.645 174.700 -0.064 0.000 1.037 324 T CA 1.945 64.025 62.100 -0.033 0.000 1.144 324 T CB -0.607 68.263 68.868 0.002 0.000 0.864 324 T HN 0.576 nan 8.240 nan 0.000 0.444 325 T N 2.366 116.823 114.554 -0.161 0.000 2.746 325 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 325 T C 1.946 176.538 174.700 -0.181 0.000 1.039 325 T CA 0.684 62.638 62.100 -0.243 0.000 1.142 325 T CB -0.241 68.424 68.868 -0.339 0.000 0.866 325 T HN 0.176 nan 8.240 nan 0.000 0.444 326 I N 2.318 122.808 120.570 -0.134 0.000 2.142 326 I HA -0.131 4.039 4.170 -0.000 0.000 0.240 326 I C 2.248 178.311 176.117 -0.090 0.000 1.078 326 I CA 1.270 62.504 61.300 -0.110 0.000 1.343 326 I CB -1.310 36.641 38.000 -0.080 0.000 1.046 326 I HN 0.242 nan 8.210 nan 0.000 0.405 327 N N 0.681 119.340 118.700 -0.067 0.000 2.094 327 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 327 N C 1.794 177.275 175.510 -0.049 0.000 1.023 327 N CA 1.989 55.007 53.050 -0.052 0.000 0.857 327 N CB -0.708 37.757 38.487 -0.036 0.000 1.013 327 N HN 0.383 nan 8.380 nan 0.000 0.426 328 T N 2.113 116.644 114.554 -0.038 0.000 2.708 328 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 328 T C 2.219 176.905 174.700 -0.023 0.000 1.037 328 T CA 0.578 62.672 62.100 -0.010 0.000 1.146 328 T CB -0.302 68.594 68.868 0.046 0.000 0.865 328 T HN 0.132 nan 8.240 nan 0.000 0.435 329 L N 0.241 121.434 121.223 -0.049 0.000 2.042 329 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 329 L C 2.446 179.239 176.870 -0.128 0.000 1.076 329 L CA 0.806 55.565 54.840 -0.134 0.000 0.749 329 L CB -0.556 41.355 42.059 -0.248 0.000 0.893 329 L HN 0.205 nan 8.230 nan 0.000 0.432 330 L N -0.397 120.764 121.223 -0.104 0.000 2.043 330 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 330 L C 2.355 179.181 176.870 -0.074 0.000 1.075 330 L CA 1.802 56.590 54.840 -0.087 0.000 0.752 330 L CB -0.739 41.277 42.059 -0.072 0.000 0.891 330 L HN 0.326 nan 8.230 nan 0.000 0.432 331 Q N -1.169 118.592 119.800 -0.065 0.000 2.365 331 Q HA 0.069 4.408 4.340 -0.000 0.000 0.203 331 Q C 0.485 176.447 176.000 -0.063 0.000 0.929 331 Q CA 0.187 55.956 55.803 -0.056 0.000 0.948 331 Q CB 0.193 28.904 28.738 -0.046 0.000 1.043 331 Q HN 0.526 nan 8.270 nan 0.000 0.505 332 N N -0.831 117.821 118.700 -0.080 0.000 2.142 332 N HA 0.115 4.855 4.740 -0.000 0.000 0.233 332 N C 0.785 176.228 175.510 -0.112 0.000 1.335 332 N CA 0.093 53.089 53.050 -0.090 0.000 0.837 332 N CB 0.733 39.165 38.487 -0.091 0.000 1.238 332 N HN 0.169 nan 8.380 nan 0.000 0.501 333 L N 0.706 121.862 121.223 -0.112 0.000 2.189 333 L HA -0.149 4.190 4.340 -0.000 0.000 0.214 333 L C 1.196 178.003 176.870 -0.105 0.000 1.097 333 L CA 1.372 56.142 54.840 -0.117 0.000 0.764 333 L CB -0.119 41.882 42.059 -0.097 0.000 0.900 333 L HN 0.038 nan 8.230 nan 0.000 0.436 334 D N -1.289 119.056 120.400 -0.091 0.000 2.349 334 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 334 D C 2.038 178.280 176.300 -0.098 0.000 1.016 334 D CA 0.471 54.420 54.000 -0.086 0.000 0.870 334 D CB 0.494 41.252 40.800 -0.070 0.000 0.917 334 D HN 0.223 nan 8.370 nan 0.000 0.524 335 S N 0.386 116.025 115.700 -0.102 0.000 2.458 335 S HA 0.092 4.562 4.470 -0.000 0.000 0.223 335 S C 1.244 175.780 174.600 -0.108 0.000 1.019 335 S CA -0.135 58.008 58.200 -0.096 0.000 0.937 335 S CB 0.639 63.792 63.200 -0.078 0.000 0.788 335 S HN 0.217 nan 8.310 nan 0.000 0.511 336 I N 3.615 124.098 120.570 -0.146 0.000 2.668 336 I HA 0.060 4.230 4.170 -0.000 0.000 0.285 336 I C -2.473 173.536 176.117 -0.179 0.000 1.168 336 I CA -1.789 59.394 61.300 -0.196 0.000 1.424 336 I CB 0.099 37.917 38.000 -0.302 0.000 1.377 336 I HN -0.052 nan 8.210 nan 0.000 0.560 337 P HA -0.008 nan 4.420 nan 0.000 0.264 337 P C -0.255 176.873 177.300 -0.286 0.000 1.193 337 P CA 0.279 63.186 63.100 -0.322 0.000 0.763 337 P CB 0.353 31.862 31.700 -0.318 0.000 0.810 338 N N 1.557 120.037 118.700 -0.366 0.000 2.595 338 N HA 0.023 4.763 4.740 -0.000 0.000 0.291 338 N C 0.664 176.092 175.510 -0.136 0.000 1.706 338 N CA -0.073 52.870 53.050 -0.177 0.000 0.867 338 N CB -0.212 38.217 38.487 -0.098 0.000 1.414 338 N HN 0.309 nan 8.380 nan 0.000 0.492 339 H N -0.138 118.921 119.070 -0.018 0.000 2.460 339 H HA -0.115 4.441 4.556 -0.000 0.000 0.297 339 H C 0.353 175.678 175.328 -0.005 0.000 1.103 339 H CA 1.757 57.797 56.048 -0.013 0.000 1.292 339 H CB 0.236 29.988 29.762 -0.016 0.000 1.376 339 H HN 0.542 nan 8.280 nan 0.000 0.531 340 D N -0.848 119.611 120.400 0.099 0.000 2.431 340 D HA 0.012 4.652 4.640 -0.000 0.000 0.213 340 D C 0.433 176.757 176.300 0.040 0.000 1.130 340 D CA 0.083 54.122 54.000 0.065 0.000 0.834 340 D CB -0.015 40.821 40.800 0.060 0.000 0.985 340 D HN 0.332 nan 8.370 nan 0.000 0.504 341 E N -0.497 119.718 120.200 0.026 0.000 3.799 341 E HA -0.292 4.058 4.350 -0.000 0.000 0.320 341 E C 0.939 177.554 176.600 0.026 0.000 0.760 341 E CA 0.718 57.129 56.400 0.018 0.000 1.153 341 E CB -1.254 28.458 29.700 0.019 0.000 1.589 341 E HN 0.406 nan 8.360 nan 0.000 0.448 342 R N 0.650 121.170 120.500 0.033 0.000 2.334 342 R HA 0.082 4.422 4.340 -0.000 0.000 0.216 342 R C 0.393 176.728 176.300 0.058 0.000 0.905 342 R CA 0.210 56.336 56.100 0.043 0.000 1.064 342 R CB 0.335 30.661 30.300 0.043 0.000 1.046 342 R HN -0.011 nan 8.270 nan 0.000 0.508 343 T N 2.235 116.825 114.554 0.060 0.000 2.891 343 T HA -0.026 4.324 4.350 -0.000 0.000 0.296 343 T C 0.342 175.119 174.700 0.128 0.000 1.025 343 T CA 0.896 63.060 62.100 0.106 0.000 1.149 343 T CB 0.407 69.332 68.868 0.096 0.000 1.007 343 T HN 0.128 nan 8.240 nan 0.000 0.528 344 R N 2.356 122.964 120.500 0.180 0.000 2.670 344 R HA 0.712 5.052 4.340 -0.000 0.000 0.289 344 R C -0.494 175.960 176.300 0.256 0.000 0.965 344 R CA -0.767 55.438 56.100 0.175 0.000 0.899 344 R CB 2.071 32.451 30.300 0.133 0.000 1.173 344 R HN 0.569 nan 8.270 nan 0.000 0.456 345 I N 0.099 120.806 120.570 0.227 0.000 3.002 345 I HA 0.533 4.703 4.170 -0.000 0.000 0.310 345 I C -1.067 175.205 176.117 0.259 0.000 1.087 345 I CA -0.475 60.998 61.300 0.289 0.000 1.017 345 I CB 2.366 40.529 38.000 0.272 0.000 1.226 345 I HN 0.583 nan 8.210 nan 0.000 0.443 346 S N 4.961 120.851 115.700 0.317 0.000 2.537 346 S HA 0.646 5.116 4.470 -0.000 0.000 0.271 346 S C -1.509 173.306 174.600 0.358 0.000 1.148 346 S CA -0.569 57.807 58.200 0.293 0.000 0.868 346 S CB 1.390 64.740 63.200 0.250 0.000 1.115 346 S HN 0.440 nan 8.310 nan 0.000 0.461 347 I N 3.697 124.466 120.570 0.331 0.000 2.478 347 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 347 I C -1.166 175.178 176.117 0.378 0.000 1.042 347 I CA -0.566 60.934 61.300 0.334 0.000 1.067 347 I CB 1.789 39.898 38.000 0.182 0.000 1.233 347 I HN 0.443 nan 8.210 nan 0.000 0.431 348 L N 5.882 127.273 121.223 0.281 0.000 2.325 348 L HA 0.500 4.840 4.340 -0.000 0.000 0.281 348 L C -0.880 176.116 176.870 0.210 0.000 1.004 348 L CA -0.478 54.459 54.840 0.161 0.000 0.823 348 L CB 1.833 43.889 42.059 -0.005 0.000 1.236 348 L HN 0.620 nan 8.230 nan 0.000 0.415 349 C N 3.513 122.978 119.300 0.276 0.000 2.319 349 C HA 0.698 5.158 4.460 -0.000 0.000 0.335 349 C C 0.184 175.247 174.990 0.122 0.000 1.274 349 C CA -0.663 58.451 59.018 0.159 0.000 1.806 349 C CB 1.191 29.017 27.740 0.143 0.000 2.329 349 C HN 0.476 nan 8.230 nan 0.000 0.524 350 V N 4.284 124.256 119.914 0.096 0.000 2.638 350 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 350 V C -0.421 175.795 176.094 0.204 0.000 1.052 350 V CA -0.354 62.025 62.300 0.132 0.000 0.885 350 V CB 1.794 33.678 31.823 0.102 0.000 0.999 350 V HN 1.014 nan 8.190 nan 0.000 0.424 351 D N 2.649 123.135 120.400 0.143 0.000 3.438 351 D HA 0.078 4.718 4.640 -0.000 0.000 0.170 351 D C 0.973 177.323 176.300 0.084 0.000 1.164 351 D CA 0.425 54.521 54.000 0.160 0.000 1.482 351 D CB -0.021 40.871 40.800 0.153 0.000 1.147 351 D HN 0.447 nan 8.370 nan 0.000 0.187 352 N N 0.063 118.804 118.700 0.069 0.000 2.373 352 N HA 0.298 5.038 4.740 -0.000 0.000 0.181 352 N C 0.193 175.671 175.510 -0.052 0.000 1.082 352 N CA -0.045 53.011 53.050 0.010 0.000 0.885 352 N CB 0.645 39.151 38.487 0.033 0.000 0.977 352 N HN 0.391 nan 8.380 nan 0.000 0.462 353 A N 0.750 123.509 122.820 -0.100 0.000 2.479 353 A HA 0.636 4.956 4.320 -0.000 0.000 0.296 353 A C -0.993 176.347 177.584 -0.405 0.000 1.121 353 A CA -0.815 51.080 52.037 -0.238 0.000 0.743 353 A CB 1.255 20.099 19.000 -0.260 0.000 1.323 353 A HN 0.171 nan 8.150 nan 0.000 0.415 354 I N 2.744 123.106 120.570 -0.347 0.000 2.291 354 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 354 I C -0.491 175.409 176.117 -0.363 0.000 1.050 354 I CA -0.358 60.752 61.300 -0.318 0.000 1.245 354 I CB 0.345 38.231 38.000 -0.190 0.000 1.405 354 I HN 0.511 nan 8.210 nan 0.000 0.478 355 H N 6.508 125.515 119.070 -0.104 0.000 2.668 355 H HA 0.280 4.836 4.556 0.000 0.000 0.303 355 H C -0.766 174.358 175.328 -0.341 0.000 1.074 355 H CA -0.033 55.938 56.048 -0.129 0.000 1.406 355 H CB 0.638 30.412 29.762 0.021 0.000 1.442 355 H HN 0.398 nan 8.280 nan 0.000 0.482 356 Y N 1.849 122.002 120.300 -0.245 0.000 2.519 356 Y HA 0.378 4.928 4.550 0.000 0.000 0.324 356 Y C -0.198 175.346 175.900 -0.593 0.000 1.214 356 Y CA -0.672 57.300 58.100 -0.214 0.000 1.260 356 Y CB 1.239 39.669 38.460 -0.049 0.000 1.311 356 Y HN 0.388 nan 8.280 nan 0.000 0.505 357 F N 0.074 120.219 119.950 0.324 0.000 2.573 357 F HA 0.425 4.952 4.527 -0.000 0.000 0.316 357 F C -0.676 175.229 175.800 0.175 0.000 1.148 357 F CA -1.284 56.842 58.000 0.211 0.000 0.940 357 F CB 1.686 40.789 39.000 0.172 0.000 1.214 357 F HN 0.086 nan 8.300 nan 0.000 0.448 358 K N 4.334 124.901 120.400 0.278 0.000 2.253 358 K HA 0.608 4.928 4.320 -0.000 0.000 0.277 358 K C -0.877 175.828 176.600 0.176 0.000 1.053 358 K CA -0.308 56.091 56.287 0.186 0.000 0.892 358 K CB 1.338 33.908 32.500 0.117 0.000 1.102 358 K HN 0.546 nan 8.250 nan 0.000 0.469 359 I N 6.102 126.764 120.570 0.154 0.000 2.359 359 I HA 0.248 4.418 4.170 -0.000 0.000 0.284 359 I C -2.204 173.964 176.117 0.086 0.000 1.018 359 I CA -2.376 58.994 61.300 0.117 0.000 1.173 359 I CB 1.331 39.401 38.000 0.115 0.000 1.326 359 I HN 0.305 nan 8.210 nan 0.000 0.462 360 P HA 0.231 nan 4.420 nan 0.000 0.274 360 P C -0.484 176.843 177.300 0.045 0.000 1.256 360 P CA -0.488 62.644 63.100 0.053 0.000 0.795 360 P CB 0.622 32.349 31.700 0.046 0.000 1.038 361 L N 1.586 122.832 121.223 0.038 0.000 2.426 361 L HA 0.029 4.369 4.340 -0.000 0.000 0.271 361 L C 1.405 178.291 176.870 0.026 0.000 1.169 361 L CA -0.057 54.802 54.840 0.032 0.000 0.836 361 L CB 0.082 42.158 42.059 0.028 0.000 1.112 361 L HN 0.384 nan 8.230 nan 0.000 0.465 362 D N 0.604 121.017 120.400 0.022 0.000 2.116 362 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 362 D C 2.159 178.468 176.300 0.014 0.000 0.998 362 D CA 1.901 55.910 54.000 0.016 0.000 0.836 362 D CB -0.078 40.728 40.800 0.011 0.000 0.951 362 D HN 0.743 nan 8.370 nan 0.000 0.449 363 S N 0.961 116.670 115.700 0.014 0.000 2.392 363 S HA -0.255 4.215 4.470 -0.000 0.000 0.232 363 S C 1.394 176.002 174.600 0.013 0.000 1.041 363 S CA 1.439 59.646 58.200 0.013 0.000 1.026 363 S CB -0.683 62.525 63.200 0.013 0.000 0.845 363 S HN 0.582 nan 8.310 nan 0.000 0.465 364 E N 1.341 121.551 120.200 0.016 0.000 2.296 364 E HA 0.218 4.568 4.350 -0.000 0.000 0.196 364 E C -0.226 176.383 176.600 0.016 0.000 1.143 364 E CA -0.571 55.838 56.400 0.016 0.000 1.145 364 E CB -0.222 29.489 29.700 0.019 0.000 1.215 364 E HN 0.400 nan 8.360 nan 0.000 0.447 374 N N 6.749 125.541 118.700 0.153 0.000 2.707 374 N HA 0.383 5.123 4.740 -0.000 0.000 0.235 374 N C -0.838 174.747 175.510 0.125 0.000 1.028 374 N CA -0.357 52.764 53.050 0.118 0.000 0.906 374 N CB 1.890 40.435 38.487 0.097 0.000 1.131 374 N HN 0.547 nan 8.380 nan 0.000 0.509 375 M N 2.450 122.089 119.600 0.066 0.000 2.113 375 M HA 0.330 4.810 4.480 -0.000 0.000 0.352 375 M C -0.631 175.635 176.300 -0.056 0.000 1.170 375 M CA -0.354 54.883 55.300 -0.104 0.000 1.053 375 M CB 0.939 33.481 32.600 -0.096 0.000 1.601 375 M HN 0.304 nan 8.290 nan 0.000 0.459 376 M N 5.586 125.149 119.600 -0.061 0.000 2.103 376 M HA 0.304 4.784 4.480 -0.000 0.000 0.350 376 M C -1.329 175.018 176.300 0.078 0.000 1.100 376 M CA -0.550 54.760 55.300 0.015 0.000 1.042 376 M CB 0.307 32.908 32.600 0.002 0.000 1.368 376 M HN 0.580 nan 8.290 nan 0.000 0.404 377 D N 4.666 125.117 120.400 0.086 0.000 2.372 377 D HA 0.386 5.026 4.640 -0.000 0.000 0.243 377 D C -0.569 175.751 176.300 0.034 0.000 1.121 377 D CA 0.588 54.645 54.000 0.094 0.000 0.898 377 D CB 1.036 41.925 40.800 0.148 0.000 1.202 377 D HN 0.558 nan 8.370 nan 0.000 0.428 378 I N 1.362 121.919 120.570 -0.023 0.000 2.563 378 I HA 0.233 4.403 4.170 -0.000 0.000 0.281 378 I C 0.224 176.305 176.117 -0.060 0.000 1.110 378 I CA -0.469 60.827 61.300 -0.007 0.000 1.073 378 I CB 1.766 39.810 38.000 0.074 0.000 1.215 378 I HN 0.440 nan 8.210 nan 0.000 0.460 379 A N 3.149 125.941 122.820 -0.047 0.000 2.178 379 A HA 0.014 4.334 4.320 -0.000 0.000 0.211 379 A C 0.852 178.410 177.584 -0.045 0.000 1.157 379 A CA 0.389 52.395 52.037 -0.051 0.000 0.780 379 A CB -0.201 18.784 19.000 -0.025 0.000 0.828 379 A HN 0.687 nan 8.150 nan 0.000 0.476 380 D N 0.684 121.062 120.400 -0.036 0.000 2.416 380 D HA 0.238 4.878 4.640 -0.000 0.000 0.240 380 D C 0.733 177.006 176.300 -0.045 0.000 1.250 380 D CA -0.082 53.896 54.000 -0.037 0.000 0.967 380 D CB -0.111 40.670 40.800 -0.031 0.000 1.059 380 D HN 0.300 nan 8.370 nan 0.000 0.512 381 L N 2.506 123.694 121.223 -0.058 0.000 2.675 381 L HA 0.035 4.375 4.340 -0.000 0.000 0.238 381 L C 1.370 178.196 176.870 -0.073 0.000 1.155 381 L CA 0.374 55.169 54.840 -0.075 0.000 0.881 381 L CB -0.121 41.879 42.059 -0.098 0.000 1.008 381 L HN 0.325 nan 8.230 nan 0.000 0.443 382 E N -0.380 119.785 120.200 -0.058 0.000 2.460 382 E HA 0.043 4.393 4.350 -0.000 0.000 0.200 382 E C 0.636 177.207 176.600 -0.049 0.000 1.011 382 E CA 0.155 56.522 56.400 -0.054 0.000 0.912 382 E CB 0.456 30.128 29.700 -0.046 0.000 0.953 382 E HN 0.349 nan 8.360 nan 0.000 0.494 390 N N 1.160 119.892 118.700 0.055 0.000 2.412 390 N HA 0.327 5.067 4.740 -0.000 0.000 0.254 390 N C 0.365 175.914 175.510 0.066 0.000 1.232 390 N CA 1.404 54.488 53.050 0.056 0.000 0.880 390 N CB 0.218 38.730 38.487 0.041 0.000 1.076 390 N HN 0.199 nan 8.380 nan 0.000 0.458 391 S N -0.731 115.016 115.700 0.079 0.000 2.857 391 S HA -0.168 4.302 4.470 -0.000 0.000 0.268 391 S C 0.850 175.528 174.600 0.130 0.000 1.297 391 S CA 1.031 59.286 58.200 0.092 0.000 1.280 391 S CB -0.752 62.493 63.200 0.075 0.000 1.562 391 S HN 0.551 nan 8.310 nan 0.000 0.661 392 M N -0.521 119.165 119.600 0.144 0.000 2.858 392 M HA 0.297 4.777 4.480 -0.000 0.000 0.255 392 M C 0.609 177.035 176.300 0.210 0.000 1.336 392 M CA 1.017 56.443 55.300 0.209 0.000 1.220 392 M CB -0.222 32.509 32.600 0.218 0.000 1.252 392 M HN 0.127 nan 8.290 nan 0.000 0.538 393 V N 3.261 123.276 119.914 0.168 0.000 2.294 393 V HA 0.420 4.540 4.120 -0.000 0.000 0.272 393 V C 0.067 176.239 176.094 0.131 0.000 1.027 393 V CA -0.871 61.524 62.300 0.159 0.000 0.823 393 V CB 0.933 32.838 31.823 0.137 0.000 1.030 393 V HN 0.177 nan 8.190 nan 0.000 0.457 394 V N 2.058 122.053 119.914 0.135 0.000 3.204 394 V HA 0.743 4.862 4.120 -0.000 0.000 0.316 394 V C 0.304 176.458 176.094 0.099 0.000 1.160 394 V CA -0.777 61.588 62.300 0.107 0.000 1.044 394 V CB 2.118 34.002 31.823 0.101 0.000 1.136 394 V HN 0.664 nan 8.190 nan 0.000 0.455 395 S N 0.741 116.487 115.700 0.076 0.000 2.455 395 S HA 0.189 4.659 4.470 -0.000 0.000 0.278 395 S C 0.721 175.354 174.600 0.056 0.000 1.216 395 S CA -0.336 57.902 58.200 0.064 0.000 1.055 395 S CB 0.141 63.370 63.200 0.049 0.000 0.939 395 S HN 0.974 nan 8.310 nan 0.000 0.494 396 L N 5.910 127.166 121.223 0.056 0.000 2.127 396 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 396 L C 2.192 179.071 176.870 0.014 0.000 1.089 396 L CA 1.946 56.806 54.840 0.033 0.000 0.757 396 L CB -0.716 41.355 42.059 0.020 0.000 0.899 396 L HN 0.842 nan 8.230 nan 0.000 0.434 397 K N -1.012 119.398 120.400 0.016 0.000 2.021 397 K HA -0.010 4.310 4.320 -0.000 0.000 0.205 397 K C 1.962 178.569 176.600 0.012 0.000 1.047 397 K CA 0.987 57.279 56.287 0.008 0.000 0.943 397 K CB -0.206 32.299 32.500 0.008 0.000 0.725 397 K HN 0.317 nan 8.250 nan 0.000 0.439 398 A N 0.189 123.022 122.820 0.020 0.000 2.121 398 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 398 A C 1.646 179.243 177.584 0.022 0.000 1.154 398 A CA 1.247 53.297 52.037 0.021 0.000 0.679 398 A CB -0.378 18.639 19.000 0.027 0.000 0.795 398 A HN 0.531 nan 8.150 nan 0.000 0.458 399 C N -1.638 117.677 119.300 0.025 0.000 3.125 399 C HA 0.332 4.792 4.460 -0.000 0.000 0.284 399 C C 2.025 177.023 174.990 0.013 0.000 1.386 399 C CA -0.438 58.595 59.018 0.025 0.000 1.763 399 C CB -0.751 27.012 27.740 0.039 0.000 2.377 399 C HN 0.658 nan 8.230 nan 0.000 0.620 400 R N 2.731 123.234 120.500 0.005 0.000 2.162 400 R HA -0.251 4.089 4.340 -0.000 0.000 0.245 400 R C 2.087 178.378 176.300 -0.014 0.000 1.129 400 R CA 2.517 58.612 56.100 -0.008 0.000 0.940 400 R CB -0.726 29.567 30.300 -0.013 0.000 0.875 400 R HN 0.535 nan 8.270 nan 0.000 0.437 401 Q N -0.104 119.691 119.800 -0.009 0.000 2.119 401 Q HA -0.050 4.290 4.340 -0.000 0.000 0.201 401 Q C 1.519 177.512 176.000 -0.011 0.000 0.972 401 Q CA 2.028 57.824 55.803 -0.012 0.000 0.847 401 Q CB -0.278 28.456 28.738 -0.007 0.000 0.903 401 Q HN 0.436 nan 8.270 nan 0.000 0.433 402 N N -0.118 118.581 118.700 -0.001 0.000 2.188 402 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 402 N C 1.702 177.208 175.510 -0.007 0.000 1.018 402 N CA 1.341 54.393 53.050 0.004 0.000 0.858 402 N CB -0.177 38.323 38.487 0.021 0.000 0.989 402 N HN 0.354 nan 8.380 nan 0.000 0.426 403 I N 1.238 121.803 120.570 -0.009 0.000 2.226 403 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 403 I C 2.269 178.351 176.117 -0.058 0.000 1.100 403 I CA 1.111 62.395 61.300 -0.027 0.000 1.374 403 I CB -0.174 37.816 38.000 -0.017 0.000 1.057 403 I HN 0.169 nan 8.210 nan 0.000 0.413 404 E N 0.332 120.503 120.200 -0.049 0.000 2.077 404 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 404 E C 2.133 178.700 176.600 -0.055 0.000 0.989 404 E CA 1.834 58.200 56.400 -0.056 0.000 0.800 404 E CB 0.061 29.734 29.700 -0.045 0.000 0.746 404 E HN 0.422 nan 8.360 nan 0.000 0.452 405 T N 1.527 116.056 114.554 -0.041 0.000 2.720 405 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 405 T C 1.752 176.421 174.700 -0.052 0.000 1.037 405 T CA 1.060 63.139 62.100 -0.036 0.000 1.144 405 T CB -0.250 68.607 68.868 -0.018 0.000 0.864 405 T HN 0.076 nan 8.240 nan 0.000 0.444 406 L N 1.254 122.436 121.223 -0.069 0.000 1.976 406 L HA 0.045 4.385 4.340 -0.000 0.000 0.209 406 L C 2.168 178.936 176.870 -0.171 0.000 1.071 406 L CA 1.649 56.413 54.840 -0.126 0.000 0.746 406 L CB -0.994 40.965 42.059 -0.167 0.000 0.890 406 L HN 0.240 nan 8.230 nan 0.000 0.432 407 L N -0.808 120.320 121.223 -0.158 0.000 2.189 407 L HA -0.232 4.108 4.340 -0.000 0.000 0.214 407 L C 2.236 179.045 176.870 -0.102 0.000 1.097 407 L CA 1.638 56.389 54.840 -0.147 0.000 0.764 407 L CB -0.982 40.997 42.059 -0.134 0.000 0.900 407 L HN 0.354 nan 8.230 nan 0.000 0.436 408 T N -0.977 113.527 114.554 -0.083 0.000 2.904 408 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 408 T C 1.914 176.583 174.700 -0.053 0.000 1.059 408 T CA 0.942 63.007 62.100 -0.060 0.000 1.137 408 T CB 0.062 68.900 68.868 -0.049 0.000 0.879 408 T HN 0.311 nan 8.240 nan 0.000 0.467 409 K N 0.652 121.015 120.400 -0.061 0.000 2.076 409 K HA 0.169 4.489 4.320 -0.000 0.000 0.204 409 K C 2.175 178.741 176.600 -0.056 0.000 1.051 409 K CA 0.582 56.837 56.287 -0.054 0.000 0.949 409 K CB -0.263 32.211 32.500 -0.045 0.000 0.726 409 K HN 0.252 nan 8.250 nan 0.000 0.443 410 I N 1.593 122.129 120.570 -0.056 0.000 2.103 410 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 410 I C -0.954 175.210 176.117 0.079 0.000 1.036 410 I CA 1.834 63.151 61.300 0.029 0.000 1.300 410 I CB -1.230 36.795 38.000 0.043 0.000 1.010 410 I HN 0.090 nan 8.210 nan 0.000 0.406 411 P HA -0.215 nan 4.420 nan 0.000 0.217 411 P C 1.316 178.631 177.300 0.025 0.000 1.151 411 P CA 1.622 64.754 63.100 0.054 0.000 0.849 411 P CB -0.063 31.642 31.700 0.009 0.000 0.787 412 Q N -1.242 118.542 119.800 -0.027 0.000 2.137 412 Q HA -0.032 4.308 4.340 -0.000 0.000 0.198 412 Q C 2.200 178.130 176.000 -0.117 0.000 0.960 412 Q CA 0.907 56.678 55.803 -0.053 0.000 0.847 412 Q CB -0.534 28.171 28.738 -0.055 0.000 0.915 412 Q HN 0.276 nan 8.270 nan 0.000 0.448 413 I N 0.083 120.518 120.570 -0.226 0.000 2.163 413 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 413 I C 1.159 176.920 176.117 -0.594 0.000 1.085 413 I CA 1.492 62.493 61.300 -0.498 0.000 1.347 413 I CB -0.115 37.390 38.000 -0.825 0.000 1.044 413 I HN 0.151 nan 8.210 nan 0.000 0.408 414 F N 0.135 120.073 119.950 -0.021 0.000 2.639 414 F HA 0.141 4.668 4.527 -0.000 0.000 0.300 414 F C 2.150 177.941 175.800 -0.014 0.000 1.109 414 F CA -0.188 57.797 58.000 -0.025 0.000 1.335 414 F CB -0.413 38.573 39.000 -0.023 0.000 1.014 414 F HN 0.050 nan 8.300 nan 0.000 0.537 415 Q N 1.289 121.130 119.800 0.068 0.000 2.096 415 Q HA -0.243 4.097 4.340 -0.000 0.000 0.208 415 Q C 1.655 177.682 176.000 0.045 0.000 0.993 415 Q CA 2.207 58.037 55.803 0.045 0.000 0.862 415 Q CB -0.064 28.676 28.738 0.004 0.000 0.915 415 Q HN 0.389 nan 8.270 nan 0.000 0.416 416 S N 0.095 115.817 115.700 0.037 0.000 2.537 416 S HA 0.177 4.647 4.470 -0.000 0.000 0.246 416 S C -0.128 174.505 174.600 0.055 0.000 1.036 416 S CA -0.773 57.448 58.200 0.036 0.000 1.041 416 S CB 0.050 63.261 63.200 0.018 0.000 0.799 416 S HN 0.234 nan 8.310 nan 0.000 0.456 417 N N 1.715 120.470 118.700 0.090 0.000 2.492 417 N HA 0.187 4.927 4.740 -0.000 0.000 0.262 417 N C 0.390 175.945 175.510 0.076 0.000 1.202 417 N CA 0.023 53.139 53.050 0.111 0.000 0.926 417 N CB 0.588 39.176 38.487 0.168 0.000 1.078 417 N HN 0.482 nan 8.380 nan 0.000 0.454 418 L N 3.390 124.655 121.223 0.069 0.000 2.766 418 L HA 0.335 4.675 4.340 -0.000 0.000 0.242 418 L C 0.546 177.449 176.870 0.056 0.000 1.136 418 L CA -0.176 54.696 54.840 0.053 0.000 0.933 418 L CB 0.207 42.292 42.059 0.043 0.000 1.241 418 L HN 0.453 nan 8.230 nan 0.000 0.522 419 I N 0.865 121.478 120.570 0.071 0.000 2.648 419 I HA -0.046 4.124 4.170 -0.000 0.000 0.284 419 I C 1.265 177.421 176.117 0.066 0.000 1.153 419 I CA 0.446 61.790 61.300 0.073 0.000 1.426 419 I CB 1.143 39.201 38.000 0.096 0.000 1.381 419 I HN 0.148 nan 8.210 nan 0.000 0.571 420 T N 0.395 114.986 114.554 0.061 0.000 3.174 420 T HA 0.234 4.584 4.350 -0.000 0.000 0.269 420 T C 0.358 175.105 174.700 0.080 0.000 1.017 420 T CA -0.581 61.555 62.100 0.060 0.000 0.899 420 T CB -0.401 68.496 68.868 0.049 0.000 1.077 420 T HN 0.410 nan 8.240 nan 0.000 0.552 421 N N 1.825 120.579 118.700 0.089 0.000 2.479 421 N HA 0.482 5.222 4.740 -0.000 0.000 0.285 421 N C -1.755 173.861 175.510 0.176 0.000 1.075 421 N CA -0.429 52.682 53.050 0.100 0.000 0.967 421 N CB 1.360 39.881 38.487 0.057 0.000 1.137 421 N HN 0.294 nan 8.380 nan 0.000 0.472 422 F N 1.487 121.430 119.950 -0.011 0.000 2.716 422 F HA 0.462 4.989 4.527 0.000 0.000 0.354 422 F C -0.650 175.135 175.800 -0.026 0.000 1.168 422 F CA -1.320 56.669 58.000 -0.018 0.000 1.045 422 F CB 0.790 39.784 39.000 -0.011 0.000 1.311 422 F HN 0.485 nan 8.300 nan 0.000 0.477 423 A N 6.696 129.249 122.820 -0.445 0.000 3.078 423 A HA 0.319 4.639 4.320 -0.000 0.000 0.279 423 A C 1.145 178.353 177.584 -0.627 0.000 1.594 423 A CA -0.249 51.529 52.037 -0.431 0.000 1.301 423 A CB -0.629 18.212 19.000 -0.266 0.000 1.162 423 A HN 0.905 nan 8.150 nan 0.000 0.585 424 L N 2.245 122.978 121.223 -0.815 0.000 1.990 424 L HA -0.105 4.235 4.340 -0.000 0.000 0.213 424 L C 2.269 178.934 176.870 -0.341 0.000 1.072 424 L CA 2.775 57.247 54.840 -0.613 0.000 0.755 424 L CB -1.058 40.840 42.059 -0.267 0.000 0.889 424 L HN 0.528 nan 8.230 nan 0.000 0.432 425 G N -0.559 108.016 108.800 -0.376 0.000 2.628 425 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 425 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 425 G C -0.518 174.185 174.900 -0.329 0.000 1.240 425 G CA 1.147 45.932 45.100 -0.526 0.000 0.792 425 G HN 0.379 nan 8.290 nan 0.000 0.593 426 P HA -0.134 nan 4.420 nan 0.000 0.215 426 P C 2.312 179.551 177.300 -0.101 0.000 1.163 426 P CA 2.413 65.411 63.100 -0.169 0.000 0.894 426 P CB -0.284 31.312 31.700 -0.172 0.000 0.791 427 A N -1.014 121.713 122.820 -0.155 0.000 1.892 427 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 427 A C 2.154 179.729 177.584 -0.015 0.000 1.188 427 A CA 1.732 53.706 52.037 -0.104 0.000 0.631 427 A CB -1.745 17.155 19.000 -0.166 0.000 0.822 427 A HN 0.090 nan 8.150 nan 0.000 0.447 428 L N -0.110 121.073 121.223 -0.067 0.000 2.042 428 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 428 L C 2.410 179.367 176.870 0.146 0.000 1.076 428 L CA 2.137 56.945 54.840 -0.052 0.000 0.749 428 L CB -0.527 41.286 42.059 -0.408 0.000 0.893 428 L HN 0.375 nan 8.230 nan 0.000 0.432 429 K N -1.637 118.836 120.400 0.122 0.000 2.148 429 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 429 K C 2.229 179.096 176.600 0.447 0.000 1.050 429 K CA 1.180 57.665 56.287 0.329 0.000 0.942 429 K CB -0.116 32.514 32.500 0.217 0.000 0.724 429 K HN 0.214 nan 8.250 nan 0.000 0.446 430 S N 0.952 116.825 115.700 0.287 0.000 2.345 430 S HA -0.131 4.339 4.470 -0.000 0.000 0.220 430 S C 2.125 176.937 174.600 0.353 0.000 1.031 430 S CA 1.283 59.672 58.200 0.315 0.000 0.996 430 S CB -0.166 63.158 63.200 0.207 0.000 0.882 430 S HN 0.437 nan 8.310 nan 0.000 0.445 431 A N 0.278 123.264 122.820 0.277 0.000 1.902 431 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 431 A C 1.904 179.652 177.584 0.274 0.000 1.181 431 A CA 1.740 53.928 52.037 0.251 0.000 0.623 431 A CB -1.059 18.069 19.000 0.213 0.000 0.818 431 A HN 0.637 nan 8.150 nan 0.000 0.443 432 Y N 0.243 120.681 120.300 0.230 0.000 2.081 432 Y HA -0.355 4.195 4.550 -0.000 0.000 0.280 432 Y C 2.406 178.309 175.900 0.005 0.000 1.163 432 Y CA 2.652 60.818 58.100 0.111 0.000 1.135 432 Y CB -0.473 38.076 38.460 0.149 0.000 0.970 432 Y HN 0.530 nan 8.280 nan 0.000 0.498 433 H N -1.169 118.122 119.070 0.368 0.000 2.495 433 H HA -0.078 4.478 4.556 -0.000 0.000 0.287 433 H C 1.824 177.224 175.328 0.120 0.000 1.033 433 H CA 1.175 57.357 56.048 0.224 0.000 1.307 433 H CB -0.123 29.774 29.762 0.225 0.000 1.401 433 H HN 0.314 nan 8.280 nan 0.000 0.555 434 L N 0.467 121.840 121.223 0.250 0.000 2.109 434 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 434 L C 1.728 178.659 176.870 0.102 0.000 1.086 434 L CA 1.449 56.408 54.840 0.198 0.000 0.760 434 L CB -0.035 42.175 42.059 0.251 0.000 0.910 434 L HN 0.459 nan 8.230 nan 0.000 0.437 435 I N -6.130 114.457 120.570 0.027 0.000 4.240 435 I HA 0.392 4.562 4.170 -0.000 0.000 0.331 435 I C 1.843 177.874 176.117 -0.144 0.000 1.381 435 I CA 0.486 61.765 61.300 -0.035 0.000 1.136 435 I CB -0.536 37.448 38.000 -0.027 0.000 1.137 435 I HN -0.007 nan 8.210 nan 0.000 0.411 436 G N 1.921 110.564 108.800 -0.262 0.000 2.462 436 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 436 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 436 G C 1.493 176.251 174.900 -0.236 0.000 1.121 436 G CA 0.902 45.745 45.100 -0.428 0.000 0.758 436 G HN 0.545 nan 8.290 nan 0.000 0.559 437 G N -0.631 108.095 108.800 -0.123 0.000 2.559 437 G HA2 0.100 4.060 3.960 -0.000 0.000 0.216 437 G HA3 0.100 4.060 3.960 -0.000 0.000 0.216 437 G C 1.189 176.053 174.900 -0.060 0.000 1.126 437 G CA 1.282 46.341 45.100 -0.068 0.000 0.778 437 G HN 0.398 nan 8.290 nan 0.000 0.543 438 V N -1.420 118.451 119.914 -0.072 0.000 3.368 438 V HA 0.521 4.641 4.120 -0.000 0.000 0.255 438 V C 1.081 177.134 176.094 -0.068 0.000 1.466 438 V CA 0.426 62.697 62.300 -0.050 0.000 1.095 438 V CB 0.027 31.840 31.823 -0.018 0.000 0.899 438 V HN 0.854 nan 8.190 nan 0.000 0.440 439 G N -0.357 108.377 108.800 -0.109 0.000 2.699 439 G HA2 0.463 4.423 3.960 -0.000 0.000 0.686 439 G HA3 0.463 4.423 3.960 -0.000 0.000 0.686 439 G C -0.042 174.796 174.900 -0.104 0.000 1.301 439 G CA -0.397 44.626 45.100 -0.128 0.000 0.816 439 G HN 1.541 nan 8.290 nan 0.000 0.595 440 G N -0.380 108.339 108.800 -0.135 0.000 2.368 440 G HA2 0.561 4.521 3.960 -0.000 0.000 0.269 440 G HA3 0.561 4.521 3.960 -0.000 0.000 0.269 440 G C -1.221 173.544 174.900 -0.225 0.000 1.291 440 G CA 0.006 45.011 45.100 -0.158 0.000 0.903 440 G HN 0.890 nan 8.290 nan 0.000 0.483 441 K N -0.026 120.213 120.400 -0.268 0.000 2.270 441 K HA 0.649 4.969 4.320 -0.000 0.000 0.255 441 K C -0.826 175.709 176.600 -0.109 0.000 0.936 441 K CA -0.646 55.499 56.287 -0.236 0.000 0.809 441 K CB 2.249 34.538 32.500 -0.353 0.000 1.131 441 K HN 0.347 nan 8.250 nan 0.000 0.427 442 I N 4.849 125.410 120.570 -0.015 0.000 2.354 442 I HA 0.306 4.476 4.170 -0.000 0.000 0.286 442 I C -0.350 175.833 176.117 0.109 0.000 1.007 442 I CA -0.604 60.733 61.300 0.061 0.000 1.167 442 I CB 0.980 39.071 38.000 0.151 0.000 1.320 442 I HN 0.397 nan 8.210 nan 0.000 0.458 443 I N 7.270 127.897 120.570 0.095 0.000 2.328 443 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 443 I C -0.248 176.083 176.117 0.355 0.000 1.012 443 I CA -0.635 60.823 61.300 0.263 0.000 1.195 443 I CB 1.498 39.660 38.000 0.271 0.000 1.350 443 I HN 0.200 nan 8.210 nan 0.000 0.464 444 V N 7.712 127.853 119.914 0.378 0.000 2.465 444 V HA 0.328 4.448 4.120 -0.000 0.000 0.279 444 V C 0.063 176.404 176.094 0.411 0.000 1.045 444 V CA -0.505 62.012 62.300 0.362 0.000 0.938 444 V CB 1.782 33.792 31.823 0.311 0.000 0.986 444 V HN 0.370 nan 8.190 nan 0.000 0.467 445 V N 4.283 124.378 119.914 0.301 0.000 2.444 445 V HA 0.741 4.861 4.120 -0.000 0.000 0.294 445 V C -0.139 175.948 176.094 -0.011 0.000 1.022 445 V CA -0.141 62.270 62.300 0.184 0.000 0.850 445 V CB 1.635 33.474 31.823 0.026 0.000 0.992 445 V HN 0.909 nan 8.190 nan 0.000 0.426 446 S N 2.945 118.598 115.700 -0.078 0.000 2.550 446 S HA 0.768 5.238 4.470 -0.000 0.000 0.270 446 S C 0.139 174.588 174.600 -0.252 0.000 1.145 446 S CA 0.262 58.266 58.200 -0.327 0.000 0.852 446 S CB 2.094 65.030 63.200 -0.439 0.000 1.119 446 S HN 1.071 nan 8.310 nan 0.000 0.465 447 G N 1.359 109.968 108.800 -0.319 0.000 4.424 447 G HA2 0.429 4.389 3.960 -0.000 0.000 0.287 447 G HA3 0.429 4.389 3.960 -0.000 0.000 0.287 447 G C -0.651 174.161 174.900 -0.147 0.000 1.023 447 G CA -0.216 44.782 45.100 -0.171 0.000 0.790 447 G HN 0.710 nan 8.290 nan 0.000 0.468 448 T N 1.130 115.547 114.554 -0.230 0.000 3.011 448 T HA 0.315 4.665 4.350 -0.000 0.000 0.303 448 T C -0.752 173.957 174.700 0.014 0.000 0.997 448 T CA -0.512 61.518 62.100 -0.117 0.000 1.007 448 T CB 2.399 71.178 68.868 -0.147 0.000 1.017 448 T HN 0.133 nan 8.240 nan 0.000 0.443 449 L N 5.535 126.793 121.223 0.057 0.000 2.559 449 L HA 0.265 4.605 4.340 -0.000 0.000 0.274 449 L C -2.296 174.685 176.870 0.186 0.000 1.205 449 L CA -1.023 53.867 54.840 0.084 0.000 0.907 449 L CB -0.082 42.014 42.059 0.062 0.000 1.153 449 L HN 0.340 nan 8.230 nan 0.000 0.490 450 P HA 0.071 nan 4.420 nan 0.000 0.261 450 P C -0.904 176.453 177.300 0.096 0.000 1.183 450 P CA 0.485 63.688 63.100 0.172 0.000 0.761 450 P CB 0.287 32.070 31.700 0.138 0.000 0.785 451 N N 2.551 121.290 118.700 0.065 0.000 2.301 451 N HA 0.296 5.036 4.740 -0.000 0.000 0.247 451 N C -1.006 174.502 175.510 -0.003 0.000 1.347 451 N CA -0.255 52.819 53.050 0.040 0.000 0.844 451 N CB -0.094 38.433 38.487 0.066 0.000 1.332 451 N HN 0.196 nan 8.380 nan 0.000 0.494 452 L N -0.514 120.677 121.223 -0.053 0.000 2.545 452 L HA 0.741 5.081 4.340 -0.000 0.000 0.258 452 L C 0.099 176.882 176.870 -0.145 0.000 0.942 452 L CA 0.889 55.681 54.840 -0.080 0.000 0.855 452 L CB 1.491 43.513 42.059 -0.062 0.000 1.374 452 L HN 0.483 nan 8.230 nan 0.000 0.411 453 G N 3.063 111.776 108.800 -0.145 0.000 2.782 453 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.228 453 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.228 453 G C -0.272 174.468 174.900 -0.268 0.000 1.372 453 G CA -0.266 44.717 45.100 -0.196 0.000 0.862 453 G HN 1.227 nan 8.290 nan 0.000 0.547 454 I N 0.976 121.329 120.570 -0.362 0.000 2.892 454 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 454 I C 1.695 177.336 176.117 -0.793 0.000 1.205 454 I CA 1.830 62.815 61.300 -0.524 0.000 1.409 454 I CB 0.425 38.058 38.000 -0.612 0.000 1.367 454 I HN 2.642 nan 8.210 nan 0.000 0.597 455 G N 5.099 113.438 108.800 -0.769 0.000 2.143 455 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.248 455 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.248 455 G C 0.125 174.939 174.900 -0.144 0.000 0.991 455 G CA 0.507 45.218 45.100 -0.649 0.000 0.689 455 G HN 0.918 nan 8.290 nan 0.000 0.522 456 K N -0.244 120.078 120.400 -0.130 0.000 2.219 456 K HA 0.718 5.038 4.320 -0.000 0.000 0.258 456 K C 0.262 176.900 176.600 0.062 0.000 1.008 456 K CA -0.447 55.828 56.287 -0.020 0.000 0.928 456 K CB 1.014 33.489 32.500 -0.042 0.000 0.983 456 K HN 0.283 nan 8.250 nan 0.000 0.484 457 L N 0.528 121.803 121.223 0.087 0.000 2.309 457 L HA 0.426 4.766 4.340 -0.000 0.000 0.261 457 L C -0.280 176.654 176.870 0.107 0.000 1.021 457 L CA -1.151 53.752 54.840 0.105 0.000 0.823 457 L CB 2.276 44.397 42.059 0.102 0.000 1.366 457 L HN 0.738 nan 8.230 nan 0.000 0.423 458 Q N -0.242 119.633 119.800 0.125 0.000 2.633 458 Q HA 0.568 4.908 4.340 -0.000 0.000 0.292 458 Q C -0.985 175.114 176.000 0.165 0.000 1.089 458 Q CA -1.044 54.830 55.803 0.119 0.000 0.811 458 Q CB 2.521 31.299 28.738 0.066 0.000 1.472 458 Q HN 0.425 nan 8.270 nan 0.000 0.464 481 S N 0.713 116.529 115.700 0.193 0.000 2.548 481 S HA -0.016 4.454 4.470 -0.000 0.000 0.215 481 S C 1.909 176.583 174.600 0.122 0.000 0.976 481 S CA 0.006 58.286 58.200 0.133 0.000 0.908 481 S CB -0.306 62.935 63.200 0.069 0.000 0.781 481 S HN 0.455 nan 8.310 nan 0.000 0.519 482 F N 2.525 122.478 119.950 0.005 0.000 2.120 482 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 482 F C 1.723 177.439 175.800 -0.140 0.000 1.095 482 F CA 1.316 59.233 58.000 -0.138 0.000 1.249 482 F CB -0.733 38.075 39.000 -0.321 0.000 0.995 482 F HN 0.182 nan 8.300 nan 0.000 0.480 483 Y N 0.910 121.073 120.300 -0.228 0.000 2.181 483 Y HA -0.163 4.386 4.550 -0.000 0.000 0.288 483 Y C 2.478 178.293 175.900 -0.142 0.000 1.146 483 Y CA 1.907 59.842 58.100 -0.276 0.000 1.164 483 Y CB -0.793 37.659 38.460 -0.013 0.000 0.982 483 Y HN 0.022 nan 8.280 nan 0.000 0.515 484 K N 0.044 120.484 120.400 0.067 0.000 2.057 484 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 484 K C 1.652 178.211 176.600 -0.068 0.000 1.049 484 K CA 1.467 57.748 56.287 -0.009 0.000 0.931 484 K CB -0.256 32.209 32.500 -0.059 0.000 0.714 484 K HN 0.363 nan 8.250 nan 0.000 0.440 485 N N 0.512 119.146 118.700 -0.110 0.000 2.244 485 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 485 N C 1.652 177.063 175.510 -0.165 0.000 1.016 485 N CA 0.932 53.907 53.050 -0.124 0.000 0.866 485 N CB -0.210 38.212 38.487 -0.108 0.000 0.980 485 N HN 0.107 nan 8.380 nan 0.000 0.430 486 F N 2.390 122.078 119.950 -0.437 0.000 2.146 486 F HA -0.154 4.373 4.527 0.000 0.000 0.298 486 F C 2.699 178.372 175.800 -0.212 0.000 1.096 486 F CA 1.627 59.365 58.000 -0.437 0.000 1.275 486 F CB -0.790 37.815 39.000 -0.658 0.000 1.008 486 F HN 0.058 nan 8.300 nan 0.000 0.480 487 T N -1.055 113.438 114.554 -0.103 0.000 2.833 487 T HA -0.198 4.151 4.350 -0.000 0.000 0.269 487 T C 2.172 176.736 174.700 -0.228 0.000 1.054 487 T CA 1.790 63.827 62.100 -0.105 0.000 1.135 487 T CB -0.999 67.939 68.868 0.118 0.000 0.869 487 T HN 0.396 nan 8.240 nan 0.000 0.466 488 I N 1.514 121.980 120.570 -0.172 0.000 2.252 488 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 488 I C 2.449 178.375 176.117 -0.318 0.000 1.102 488 I CA 1.547 62.721 61.300 -0.210 0.000 1.385 488 I CB -0.360 37.604 38.000 -0.061 0.000 1.064 488 I HN 0.243 nan 8.210 nan 0.000 0.414 489 D N 0.426 120.653 120.400 -0.288 0.000 2.144 489 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 489 D C 2.289 178.479 176.300 -0.184 0.000 0.978 489 D CA 1.191 55.048 54.000 -0.237 0.000 0.833 489 D CB -0.247 40.342 40.800 -0.353 0.000 0.961 489 D HN 0.381 nan 8.370 nan 0.000 0.470 490 C N 1.163 120.264 119.300 -0.330 0.000 2.413 490 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 490 C C 2.964 177.753 174.990 -0.335 0.000 1.265 490 C CA 1.378 60.203 59.018 -0.323 0.000 1.752 490 C CB -1.077 26.435 27.740 -0.380 0.000 1.998 490 C HN 0.413 nan 8.230 nan 0.000 0.489 491 S N 0.220 115.629 115.700 -0.486 0.000 2.507 491 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 491 S C 1.501 175.886 174.600 -0.359 0.000 0.988 491 S CA 1.155 59.004 58.200 -0.584 0.000 0.944 491 S CB -0.436 61.957 63.200 -1.345 0.000 0.762 491 S HN 0.716 nan 8.310 nan 0.000 0.526 492 K N 0.641 120.880 120.400 -0.270 0.000 2.284 492 K HA 0.155 4.475 4.320 -0.000 0.000 0.198 492 K C 1.163 177.674 176.600 -0.148 0.000 1.048 492 K CA 1.013 57.201 56.287 -0.166 0.000 0.987 492 K CB 0.421 32.854 32.500 -0.110 0.000 0.800 492 K HN 0.485 nan 8.250 nan 0.000 0.486 493 V N -1.339 118.456 119.914 -0.198 0.000 3.085 493 V HA 0.166 4.286 4.120 -0.000 0.000 0.345 493 V C -0.594 175.365 176.094 -0.226 0.000 1.397 493 V CA -0.715 61.445 62.300 -0.233 0.000 1.165 493 V CB 0.220 31.808 31.823 -0.392 0.000 1.153 493 V HN 0.137 nan 8.190 nan 0.000 0.495 494 Q N 0.517 120.205 119.800 -0.187 0.000 2.443 494 Q HA -0.180 4.160 4.340 -0.000 0.000 0.337 494 Q C -0.334 175.562 176.000 -0.173 0.000 1.401 494 Q CA 1.005 56.718 55.803 -0.150 0.000 0.943 494 Q CB -1.638 27.042 28.738 -0.096 0.000 1.177 494 Q HN 0.813 nan 8.270 nan 0.000 0.394 495 I N 0.366 120.810 120.570 -0.210 0.000 2.433 495 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 495 I C 0.502 176.526 176.117 -0.155 0.000 1.001 495 I CA -0.563 60.617 61.300 -0.200 0.000 1.119 495 I CB 2.126 39.974 38.000 -0.253 0.000 1.289 495 I HN -0.064 nan 8.210 nan 0.000 0.438 496 T N 5.157 119.630 114.554 -0.136 0.000 2.888 496 T HA 0.574 4.924 4.350 -0.000 0.000 0.284 496 T C -0.494 174.188 174.700 -0.029 0.000 1.017 496 T CA -0.478 61.566 62.100 -0.094 0.000 1.022 496 T CB 2.162 70.943 68.868 -0.145 0.000 1.013 496 T HN 0.185 nan 8.240 nan 0.000 0.465 497 V N 3.102 123.036 119.914 0.033 0.000 2.487 497 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 497 V C -0.710 175.442 176.094 0.096 0.000 1.028 497 V CA -0.894 61.468 62.300 0.103 0.000 0.860 497 V CB 1.942 33.874 31.823 0.183 0.000 0.991 497 V HN 0.837 nan 8.190 nan 0.000 0.427 498 D N 4.049 124.533 120.400 0.141 0.000 2.342 498 D HA 0.721 5.361 4.640 -0.000 0.000 0.243 498 D C -0.817 175.581 176.300 0.164 0.000 1.019 498 D CA -0.249 53.829 54.000 0.130 0.000 0.864 498 D CB 2.803 43.742 40.800 0.232 0.000 1.315 498 D HN 0.307 nan 8.370 nan 0.000 0.468 499 L N 1.364 122.605 121.223 0.030 0.000 2.410 499 L HA 0.459 4.799 4.340 -0.000 0.000 0.270 499 L C -1.039 175.829 176.870 -0.002 0.000 0.983 499 L CA -0.808 54.092 54.840 0.101 0.000 0.822 499 L CB 1.606 43.692 42.059 0.045 0.000 1.285 499 L HN 0.183 nan 8.230 nan 0.000 0.409 500 F N 4.061 124.186 119.950 0.292 0.000 2.382 500 F HA 0.472 4.999 4.527 -0.000 0.000 0.361 500 F C -0.235 175.761 175.800 0.327 0.000 1.109 500 F CA -0.387 57.873 58.000 0.432 0.000 1.031 500 F CB 1.237 40.526 39.000 0.482 0.000 1.234 500 F HN 0.170 nan 8.300 nan 0.000 0.445 501 L N 4.194 125.693 121.223 0.460 0.000 2.276 501 L HA 0.752 5.092 4.340 -0.000 0.000 0.286 501 L C -0.136 177.001 176.870 0.445 0.000 1.024 501 L CA -0.768 54.277 54.840 0.343 0.000 0.826 501 L CB 1.229 43.442 42.059 0.257 0.000 1.211 501 L HN 0.634 nan 8.230 nan 0.000 0.422 502 A N 2.913 125.833 122.820 0.166 0.000 2.410 502 A HA 0.740 5.060 4.320 -0.000 0.000 0.289 502 A C -0.417 177.192 177.584 0.041 0.000 1.200 502 A CA -0.361 51.703 52.037 0.045 0.000 0.751 502 A CB 1.584 20.232 19.000 -0.587 0.000 1.161 502 A HN 0.573 nan 8.150 nan 0.000 0.459 503 S N 1.171 116.963 115.700 0.153 0.000 2.595 503 S HA 0.395 4.864 4.470 -0.000 0.000 0.270 503 S C -0.082 174.601 174.600 0.138 0.000 1.145 503 S CA -0.294 57.989 58.200 0.139 0.000 0.825 503 S CB 1.128 64.382 63.200 0.090 0.000 1.107 503 S HN 0.607 nan 8.310 nan 0.000 0.461 504 E N 0.394 120.659 120.200 0.110 0.000 2.447 504 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 504 E C -0.486 176.187 176.600 0.120 0.000 1.028 504 E CA 0.210 56.668 56.400 0.097 0.000 0.876 504 E CB 0.177 29.915 29.700 0.063 0.000 0.885 504 E HN 0.513 nan 8.360 nan 0.000 0.500 505 D N -0.043 120.432 120.400 0.124 0.000 2.326 505 D HA 0.040 4.680 4.640 -0.000 0.000 0.251 505 D C -0.410 176.005 176.300 0.191 0.000 1.023 505 D CA -0.603 53.484 54.000 0.145 0.000 0.966 505 D CB 0.668 41.535 40.800 0.111 0.000 1.156 505 D HN -0.079 nan 8.370 nan 0.000 0.494 506 Y N 1.120 121.464 120.300 0.072 0.000 2.810 506 Y HA -0.118 4.432 4.550 -0.000 0.000 0.332 506 Y C 0.818 176.741 175.900 0.038 0.000 1.243 506 Y CA 0.592 58.724 58.100 0.054 0.000 1.537 506 Y CB 0.381 38.858 38.460 0.030 0.000 1.265 506 Y HN 0.207 nan 8.280 nan 0.000 0.572 507 M N 3.103 122.360 119.600 -0.572 0.000 2.292 507 M HA 0.077 4.557 4.480 -0.000 0.000 0.286 507 M C 0.110 175.955 176.300 -0.759 0.000 1.002 507 M CA 0.350 55.346 55.300 -0.507 0.000 1.029 507 M CB -0.540 31.924 32.600 -0.228 0.000 1.537 507 M HN 0.802 nan 8.290 nan 0.000 0.543 508 D N 1.549 121.165 120.400 -1.306 0.000 2.828 508 D HA -0.123 4.517 4.640 -0.000 0.000 0.241 508 D C 0.694 176.715 176.300 -0.465 0.000 1.142 508 D CA 0.103 53.623 54.000 -0.800 0.000 0.755 508 D CB -0.797 39.690 40.800 -0.522 0.000 1.014 508 D HN 0.123 nan 8.370 nan 0.000 0.420 509 V N 0.920 120.536 119.914 -0.496 0.000 2.490 509 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 509 V C 2.790 178.704 176.094 -0.300 0.000 1.061 509 V CA 2.299 64.329 62.300 -0.451 0.000 1.064 509 V CB -0.704 30.732 31.823 -0.645 0.000 0.670 509 V HN 0.619 nan 8.190 nan 0.000 0.461 510 A N -0.210 122.474 122.820 -0.227 0.000 1.908 510 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 510 A C 2.479 179.979 177.584 -0.139 0.000 1.181 510 A CA 2.545 54.496 52.037 -0.144 0.000 0.627 510 A CB -0.564 18.393 19.000 -0.072 0.000 0.818 510 A HN 0.539 nan 8.150 nan 0.000 0.445 511 S N -0.389 115.208 115.700 -0.171 0.000 2.356 511 S HA 0.071 4.541 4.470 -0.000 0.000 0.219 511 S C 1.809 176.217 174.600 -0.320 0.000 1.036 511 S CA 1.023 59.104 58.200 -0.200 0.000 0.965 511 S CB -0.456 62.618 63.200 -0.209 0.000 0.864 511 S HN 0.480 nan 8.310 nan 0.000 0.471 512 L N 2.376 123.365 121.223 -0.390 0.000 2.127 512 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 512 L C 2.580 179.312 176.870 -0.231 0.000 1.089 512 L CA 1.358 55.967 54.840 -0.386 0.000 0.757 512 L CB -0.878 41.008 42.059 -0.288 0.000 0.899 512 L HN 0.440 nan 8.230 nan 0.000 0.434 513 S N -0.944 114.625 115.700 -0.220 0.000 2.500 513 S HA -0.122 4.348 4.470 -0.000 0.000 0.239 513 S C 1.558 176.026 174.600 -0.219 0.000 0.989 513 S CA 0.765 58.840 58.200 -0.210 0.000 0.951 513 S CB -0.441 62.628 63.200 -0.219 0.000 0.759 513 S HN 0.465 nan 8.310 nan 0.000 0.523 514 N N 1.317 119.937 118.700 -0.133 0.000 2.409 514 N HA 0.142 4.882 4.740 -0.000 0.000 0.179 514 N C 1.563 177.117 175.510 0.072 0.000 1.032 514 N CA 0.719 53.765 53.050 -0.007 0.000 0.898 514 N CB -0.274 38.318 38.487 0.175 0.000 0.971 514 N HN 0.436 nan 8.380 nan 0.000 0.441 515 L N 0.933 122.182 121.223 0.044 0.000 1.994 515 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 515 L C 2.620 179.516 176.870 0.043 0.000 1.071 515 L CA 1.367 56.288 54.840 0.135 0.000 0.745 515 L CB -0.508 41.655 42.059 0.173 0.000 0.892 515 L HN 0.221 nan 8.230 nan 0.000 0.431 516 S N -0.358 115.303 115.700 -0.066 0.000 2.345 516 S HA -0.254 4.216 4.470 -0.000 0.000 0.220 516 S C 2.016 176.437 174.600 -0.298 0.000 1.031 516 S CA 0.972 59.103 58.200 -0.115 0.000 0.996 516 S CB -0.582 62.547 63.200 -0.118 0.000 0.882 516 S HN 0.295 nan 8.310 nan 0.000 0.445 517 R N 0.995 121.119 120.500 -0.627 0.000 2.162 517 R HA -0.165 4.175 4.340 -0.000 0.000 0.245 517 R C 1.218 176.973 176.300 -0.908 0.000 1.129 517 R CA 2.244 57.631 56.100 -1.188 0.000 0.940 517 R CB -0.584 28.930 30.300 -1.310 0.000 0.875 517 R HN 0.555 nan 8.270 nan 0.000 0.437 518 F N -0.298 119.526 119.950 -0.210 0.000 2.664 518 F HA 0.130 4.657 4.527 0.000 0.000 0.301 518 F C 1.068 176.870 175.800 0.004 0.000 1.126 518 F CA 0.438 58.386 58.000 -0.086 0.000 1.373 518 F CB 0.776 39.776 39.000 0.001 0.000 1.042 518 F HN 0.150 nan 8.300 nan 0.000 0.535 519 T N -3.525 111.048 114.554 0.031 0.000 3.209 519 T HA 0.562 4.912 4.350 -0.000 0.000 0.295 519 T C 1.118 175.815 174.700 -0.005 0.000 0.977 519 T CA 0.212 62.318 62.100 0.011 0.000 0.922 519 T CB 0.406 69.270 68.868 -0.006 0.000 1.152 519 T HN 0.228 nan 8.240 nan 0.000 0.527 520 A N -0.233 122.583 122.820 -0.006 0.000 2.979 520 A HA 0.023 4.343 4.320 -0.000 0.000 0.260 520 A C 1.133 178.808 177.584 0.152 0.000 1.282 520 A CA 1.091 53.179 52.037 0.085 0.000 0.971 520 A CB -2.164 16.873 19.000 0.063 0.000 1.124 520 A HN 1.342 nan 8.150 nan 0.000 0.826 521 G N -2.044 106.809 108.800 0.089 0.000 2.543 521 G HA2 0.588 4.548 3.960 -0.000 0.000 0.267 521 G HA3 0.588 4.548 3.960 -0.000 0.000 0.267 521 G C -0.256 174.738 174.900 0.157 0.000 1.406 521 G CA 0.501 45.663 45.100 0.104 0.000 1.048 521 G HN 1.022 nan 8.290 nan 0.000 0.548 522 Q N -2.418 117.425 119.800 0.073 0.000 2.456 522 Q HA 0.611 4.951 4.340 -0.000 0.000 0.284 522 Q C -1.178 174.675 176.000 -0.245 0.000 1.061 522 Q CA -0.489 55.290 55.803 -0.041 0.000 0.799 522 Q CB 1.984 30.674 28.738 -0.079 0.000 1.445 522 Q HN 0.483 nan 8.270 nan 0.000 0.411 523 T N 2.395 116.719 114.554 -0.384 0.000 2.824 523 T HA 0.550 4.900 4.350 -0.000 0.000 0.282 523 T C -1.345 172.959 174.700 -0.659 0.000 0.993 523 T CA -0.569 61.291 62.100 -0.399 0.000 0.967 523 T CB 0.503 69.229 68.868 -0.237 0.000 0.960 523 T HN 0.400 nan 8.240 nan 0.000 0.441 524 H N 1.846 120.734 119.070 -0.304 0.000 2.529 524 H HA 0.445 5.000 4.556 -0.000 0.000 0.348 524 H C -1.281 173.982 175.328 -0.108 0.000 1.079 524 H CA -0.613 55.273 56.048 -0.270 0.000 1.198 524 H CB 1.684 31.221 29.762 -0.375 0.000 1.521 524 H HN 0.444 nan 8.280 nan 0.000 0.514 525 F N 3.471 123.208 119.950 -0.356 0.000 2.467 525 F HA 0.296 4.823 4.527 0.000 0.000 0.336 525 F C -1.348 174.156 175.800 -0.493 0.000 1.123 525 F CA -1.276 56.554 58.000 -0.284 0.000 0.964 525 F CB 0.655 39.528 39.000 -0.211 0.000 1.136 525 F HN 0.348 nan 8.300 nan 0.000 0.447 526 Y N 6.181 126.317 120.300 -0.272 0.000 2.915 526 Y HA 0.387 4.937 4.550 -0.000 0.000 0.350 526 Y C -2.351 173.249 175.900 -0.499 0.000 1.061 526 Y CA -2.936 55.014 58.100 -0.252 0.000 1.179 526 Y CB 0.035 38.555 38.460 0.099 0.000 1.180 526 Y HN 0.433 nan 8.280 nan 0.000 0.605 527 P HA -0.014 nan 4.420 nan 0.000 0.260 527 P C 1.019 178.242 177.300 -0.129 0.000 1.172 527 P CA 1.549 64.255 63.100 -0.657 0.000 0.760 527 P CB 0.612 31.922 31.700 -0.650 0.000 0.773 528 G N 2.887 111.677 108.800 -0.016 0.000 2.180 528 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.263 528 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.263 528 G C 0.192 175.123 174.900 0.051 0.000 0.989 528 G CA -0.330 44.796 45.100 0.043 0.000 0.692 528 G HN 0.567 nan 8.290 nan 0.000 0.526 529 F N 1.592 121.528 119.950 -0.024 0.000 2.635 529 F HA 0.395 4.923 4.527 0.001 0.000 0.379 529 F C 0.607 176.377 175.800 -0.050 0.000 1.094 529 F CA 1.040 59.023 58.000 -0.030 0.000 1.300 529 F CB 0.738 39.691 39.000 -0.078 0.000 1.035 529 F HN 0.384 nan 8.300 nan 0.000 0.581 530 S N 4.130 119.133 115.700 -1.161 0.000 2.605 530 S HA 0.402 4.872 4.470 -0.000 0.000 0.279 530 S C 0.593 174.725 174.600 -0.780 0.000 1.166 530 S CA -0.284 57.464 58.200 -0.754 0.000 0.975 530 S CB 0.675 63.688 63.200 -0.312 0.000 1.111 530 S HN 1.121 nan 8.310 nan 0.000 0.465 531 G N 3.627 112.080 108.800 -0.578 0.000 2.475 531 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 531 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 531 G C 1.141 175.913 174.900 -0.214 0.000 1.125 531 G CA 0.877 45.786 45.100 -0.318 0.000 0.755 531 G HN 0.777 nan 8.290 nan 0.000 0.565 532 K N 0.421 120.708 120.400 -0.187 0.000 2.362 532 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 532 K C -0.006 176.527 176.600 -0.112 0.000 1.045 532 K CA 0.571 56.786 56.287 -0.119 0.000 0.936 532 K CB -0.066 32.377 32.500 -0.094 0.000 0.747 532 K HN 0.262 nan 8.250 nan 0.000 0.467 533 N N 1.167 119.771 118.700 -0.159 0.000 2.609 533 N HA 0.115 4.855 4.740 -0.000 0.000 0.234 533 N C -2.313 173.134 175.510 -0.106 0.000 1.001 533 N CA -1.588 51.394 53.050 -0.113 0.000 0.926 533 N CB 1.492 39.913 38.487 -0.110 0.000 1.130 533 N HN -0.186 nan 8.380 nan 0.000 0.510 534 P HA -0.171 nan 4.420 nan 0.000 0.218 534 P C 0.966 178.247 177.300 -0.030 0.000 1.152 534 P CA 1.255 64.328 63.100 -0.045 0.000 0.857 534 P CB 0.419 32.102 31.700 -0.028 0.000 0.787 535 N N -0.932 117.756 118.700 -0.021 0.000 2.396 535 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 535 N C 1.072 176.607 175.510 0.041 0.000 1.028 535 N CA 1.019 54.075 53.050 0.011 0.000 0.893 535 N CB -0.504 37.988 38.487 0.008 0.000 0.967 535 N HN 0.192 nan 8.380 nan 0.000 0.440 536 D N 1.028 121.429 120.400 0.001 0.000 2.117 536 D HA -0.031 4.609 4.640 -0.000 0.000 0.198 536 D C 2.031 178.452 176.300 0.201 0.000 0.982 536 D CA 0.352 54.384 54.000 0.053 0.000 0.828 536 D CB -0.047 40.592 40.800 -0.269 0.000 0.967 536 D HN 0.128 nan 8.370 nan 0.000 0.464 537 I N 0.608 121.239 120.570 0.101 0.000 2.208 537 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 537 I C 2.408 178.575 176.117 0.084 0.000 1.097 537 I CA 0.742 62.140 61.300 0.163 0.000 1.363 537 I CB -1.125 36.910 38.000 0.059 0.000 1.051 537 I HN -0.044 nan 8.210 nan 0.000 0.413 538 V N 1.176 121.074 119.914 -0.027 0.000 2.287 538 V HA -0.299 3.820 4.120 -0.000 0.000 0.248 538 V C 2.654 178.523 176.094 -0.376 0.000 1.053 538 V CA 2.122 64.292 62.300 -0.216 0.000 1.027 538 V CB -0.805 30.863 31.823 -0.259 0.000 0.646 538 V HN 0.424 nan 8.190 nan 0.000 0.447 539 K N -0.453 119.859 120.400 -0.146 0.000 2.002 539 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 539 K C 2.192 178.879 176.600 0.144 0.000 1.048 539 K CA 1.945 58.274 56.287 0.070 0.000 0.930 539 K CB -0.372 32.384 32.500 0.426 0.000 0.714 539 K HN 0.317 nan 8.250 nan 0.000 0.438 540 F N 1.632 121.583 119.950 0.003 0.000 2.069 540 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 540 F C 2.306 178.011 175.800 -0.159 0.000 1.113 540 F CA 1.957 59.785 58.000 -0.286 0.000 1.214 540 F CB -0.619 38.084 39.000 -0.495 0.000 0.978 540 F HN 0.036 nan 8.300 nan 0.000 0.474 541 S N -0.455 115.194 115.700 -0.084 0.000 2.359 541 S HA -0.216 4.254 4.470 -0.000 0.000 0.224 541 S C 1.963 176.484 174.600 -0.132 0.000 1.035 541 S CA 1.951 60.081 58.200 -0.117 0.000 1.018 541 S CB -0.709 62.468 63.200 -0.037 0.000 0.876 541 S HN 0.530 nan 8.310 nan 0.000 0.448 542 T N 2.352 116.821 114.554 -0.143 0.000 2.720 542 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 542 T C 1.703 176.401 174.700 -0.002 0.000 1.037 542 T CA 1.350 63.398 62.100 -0.086 0.000 1.144 542 T CB -0.349 68.418 68.868 -0.168 0.000 0.864 542 T HN 0.533 nan 8.240 nan 0.000 0.444 543 E N 0.182 120.393 120.200 0.017 0.000 2.072 543 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 543 E C 1.959 178.576 176.600 0.030 0.000 0.982 543 E CA 0.731 57.176 56.400 0.075 0.000 0.803 543 E CB -0.294 29.521 29.700 0.192 0.000 0.755 543 E HN 0.426 nan 8.360 nan 0.000 0.453 544 F N 1.916 121.634 119.950 -0.386 0.000 2.171 544 F HA -0.164 4.363 4.527 0.000 0.000 0.300 544 F C 2.232 177.883 175.800 -0.248 0.000 1.090 544 F CA 1.283 58.903 58.000 -0.633 0.000 1.293 544 F CB -0.259 38.022 39.000 -1.198 0.000 1.013 544 F HN -0.065 nan 8.300 nan 0.000 0.486 545 A N 0.312 123.039 122.820 -0.154 0.000 1.855 545 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 545 A C 2.289 179.830 177.584 -0.072 0.000 1.191 545 A CA 1.705 53.667 52.037 -0.125 0.000 0.613 545 A CB -0.674 18.295 19.000 -0.052 0.000 0.829 545 A HN 0.381 nan 8.150 nan 0.000 0.442 546 K N -1.299 119.104 120.400 0.005 0.000 2.103 546 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 546 K C 2.062 178.692 176.600 0.050 0.000 1.048 546 K CA 1.775 58.102 56.287 0.068 0.000 0.930 546 K CB -0.388 32.170 32.500 0.096 0.000 0.716 546 K HN 0.756 nan 8.250 nan 0.000 0.444 547 H N 1.789 120.839 119.070 -0.033 0.000 2.321 547 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 547 H C 1.903 177.247 175.328 0.027 0.000 1.087 547 H CA 2.074 58.139 56.048 0.029 0.000 1.319 547 H CB -0.175 29.684 29.762 0.161 0.000 1.379 547 H HN 0.291 nan 8.280 nan 0.000 0.501 548 I N -0.736 119.729 120.570 -0.175 0.000 2.830 548 I HA -0.069 4.101 4.170 -0.000 0.000 0.263 548 I C 1.999 178.071 176.117 -0.074 0.000 1.230 548 I CA 1.323 62.538 61.300 -0.143 0.000 1.480 548 I CB -0.376 37.485 38.000 -0.232 0.000 1.095 548 I HN 0.334 nan 8.210 nan 0.000 0.455 549 S N 0.785 116.463 115.700 -0.037 0.000 2.528 549 S HA 0.103 4.573 4.470 -0.000 0.000 0.219 549 S C 1.107 175.791 174.600 0.140 0.000 0.985 549 S CA -0.443 57.792 58.200 0.058 0.000 0.914 549 S CB -0.341 62.942 63.200 0.139 0.000 0.776 549 S HN 0.552 nan 8.310 nan 0.000 0.526 550 M N 2.924 122.541 119.600 0.029 0.000 2.238 550 M HA 0.141 4.621 4.480 -0.000 0.000 0.350 550 M C -0.857 175.448 176.300 0.009 0.000 1.321 550 M CA 0.034 55.313 55.300 -0.035 0.000 1.097 550 M CB 0.330 32.879 32.600 -0.086 0.000 1.713 550 M HN 0.066 nan 8.290 nan 0.000 0.455 551 D N 4.612 125.013 120.400 0.001 0.000 2.361 551 D HA 0.451 5.091 4.640 -0.000 0.000 0.239 551 D C -0.794 175.479 176.300 -0.045 0.000 1.200 551 D CA 0.624 54.589 54.000 -0.058 0.000 0.915 551 D CB 0.637 41.468 40.800 0.053 0.000 1.170 551 D HN 0.504 nan 8.370 nan 0.000 0.444 552 F N -1.911 118.005 119.950 -0.058 0.000 2.770 552 F HA 0.448 4.975 4.527 -0.000 0.000 0.313 552 F C -1.268 174.471 175.800 -0.103 0.000 1.154 552 F CA -1.430 56.494 58.000 -0.127 0.000 0.923 552 F CB 0.125 39.072 39.000 -0.087 0.000 1.301 552 F HN 0.241 nan 8.300 nan 0.000 0.449 553 C N 1.380 120.845 119.300 0.276 0.000 2.380 553 C HA 0.915 5.375 4.460 -0.000 0.000 0.393 553 C C -0.134 175.009 174.990 0.255 0.000 1.284 553 C CA -0.617 58.514 59.018 0.187 0.000 2.033 553 C CB 1.416 29.190 27.740 0.057 0.000 2.165 553 C HN 0.848 nan 8.230 nan 0.000 0.540 554 M N -0.228 119.465 119.600 0.154 0.000 2.575 554 M HA 0.327 4.807 4.480 -0.000 0.000 0.284 554 M C -0.171 176.171 176.300 0.071 0.000 1.253 554 M CA -0.272 55.089 55.300 0.102 0.000 0.861 554 M CB 1.460 34.128 32.600 0.112 0.000 1.733 554 M HN 0.816 nan 8.290 nan 0.000 0.462 555 E N -0.488 119.740 120.200 0.048 0.000 2.403 555 E HA -0.169 4.181 4.350 -0.000 0.000 0.241 555 E C -0.828 175.812 176.600 0.067 0.000 1.201 555 E CA 0.565 56.992 56.400 0.045 0.000 0.721 555 E CB -1.401 28.321 29.700 0.036 0.000 1.245 555 E HN 0.662 nan 8.360 nan 0.000 0.392 556 T N 0.111 114.720 114.554 0.093 0.000 2.922 556 T HA 0.504 4.854 4.350 -0.000 0.000 0.285 556 T C 0.168 174.946 174.700 0.129 0.000 1.005 556 T CA -0.296 61.850 62.100 0.077 0.000 1.061 556 T CB 1.849 70.728 68.868 0.019 0.000 1.007 556 T HN 0.231 nan 8.240 nan 0.000 0.502 557 V N 0.722 120.678 119.914 0.071 0.000 2.841 557 V HA 0.837 4.957 4.120 -0.000 0.000 0.310 557 V C -0.927 175.178 176.094 0.018 0.000 1.090 557 V CA -1.133 61.231 62.300 0.107 0.000 0.930 557 V CB 1.990 33.862 31.823 0.083 0.000 1.014 557 V HN 0.943 nan 8.190 nan 0.000 0.425 558 M N 5.005 124.630 119.600 0.040 0.000 2.457 558 M HA 0.821 5.301 4.480 -0.000 0.000 0.300 558 M C -0.964 175.377 176.300 0.068 0.000 1.141 558 M CA -0.546 54.743 55.300 -0.017 0.000 0.901 558 M CB 2.220 34.725 32.600 -0.158 0.000 1.687 558 M HN 1.098 nan 8.290 nan 0.000 0.449 559 R N 3.020 123.580 120.500 0.101 0.000 2.764 559 R HA 0.926 5.266 4.340 -0.000 0.000 0.270 559 R C -2.248 174.195 176.300 0.237 0.000 1.014 559 R CA -0.990 55.223 56.100 0.189 0.000 0.904 559 R CB 1.785 32.138 30.300 0.088 0.000 1.236 559 R HN 0.677 nan 8.270 nan 0.000 0.466 560 A N 2.344 125.381 122.820 0.362 0.000 2.343 560 A HA 0.601 4.921 4.320 -0.000 0.000 0.308 560 A C -0.817 176.883 177.584 0.193 0.000 1.092 560 A CA -0.952 51.248 52.037 0.271 0.000 0.751 560 A CB 1.284 20.527 19.000 0.404 0.000 1.203 560 A HN 0.716 nan 8.150 nan 0.000 0.452 561 R N 1.186 121.735 120.500 0.081 0.000 2.474 561 R HA 0.616 4.956 4.340 -0.000 0.000 0.295 561 R C 0.302 176.663 176.300 0.101 0.000 0.980 561 R CA -0.265 55.847 56.100 0.021 0.000 0.934 561 R CB 2.118 32.318 30.300 -0.168 0.000 1.101 561 R HN 0.790 nan 8.270 nan 0.000 0.469 562 G N 0.339 109.246 108.800 0.178 0.000 2.473 562 G HA2 0.341 4.301 3.960 -0.000 0.000 0.321 562 G HA3 0.341 4.301 3.960 -0.000 0.000 0.321 562 G C -0.400 174.760 174.900 0.433 0.000 1.200 562 G CA -0.633 44.649 45.100 0.304 0.000 0.963 562 G HN 0.586 nan 8.290 nan 0.000 0.483 563 S N -0.178 115.821 115.700 0.498 0.000 2.600 563 S HA 0.348 4.817 4.470 -0.000 0.000 0.265 563 S C 0.607 175.358 174.600 0.251 0.000 1.325 563 S CA -0.240 58.207 58.200 0.411 0.000 1.002 563 S CB 0.575 63.958 63.200 0.306 0.000 0.921 563 S HN 0.674 nan 8.310 nan 0.000 0.554 564 T N 2.065 116.739 114.554 0.200 0.000 2.777 564 T HA 0.361 4.711 4.350 -0.000 0.000 0.273 564 T C 1.565 176.338 174.700 0.122 0.000 1.016 564 T CA 1.210 63.394 62.100 0.139 0.000 1.156 564 T CB -0.727 68.207 68.868 0.109 0.000 1.019 564 T HN 1.658 nan 8.240 nan 0.000 0.503 565 G N 2.532 111.394 108.800 0.104 0.000 2.279 565 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.223 565 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.223 565 G C 0.049 175.010 174.900 0.102 0.000 1.015 565 G CA -0.332 44.824 45.100 0.093 0.000 0.621 565 G HN 0.686 nan 8.290 nan 0.000 0.506 566 L N 0.662 121.956 121.223 0.118 0.000 2.325 566 L HA 0.794 5.133 4.340 -0.000 0.000 0.279 566 L C 0.585 177.498 176.870 0.071 0.000 1.054 566 L CA -0.852 54.048 54.840 0.099 0.000 0.804 566 L CB 1.761 43.891 42.059 0.118 0.000 1.200 566 L HN 0.294 nan 8.230 nan 0.000 0.436 567 R N 3.070 123.585 120.500 0.025 0.000 2.584 567 R HA 0.442 4.782 4.340 -0.000 0.000 0.276 567 R C -1.325 174.961 176.300 -0.024 0.000 1.046 567 R CA -0.869 55.246 56.100 0.026 0.000 0.906 567 R CB 1.681 32.001 30.300 0.034 0.000 1.215 567 R HN 0.447 nan 8.270 nan 0.000 0.449 568 M N 3.029 122.631 119.600 0.004 0.000 2.162 568 M HA 0.144 4.624 4.480 -0.000 0.000 0.356 568 M C 0.945 177.150 176.300 -0.160 0.000 1.303 568 M CA 0.176 55.424 55.300 -0.088 0.000 1.116 568 M CB 0.888 33.518 32.600 0.051 0.000 1.632 568 M HN 0.786 nan 8.290 nan 0.000 0.469 569 S N 2.368 117.895 115.700 -0.287 0.000 2.564 569 S HA 0.344 4.814 4.470 -0.000 0.000 0.231 569 S C 0.627 175.026 174.600 -0.335 0.000 1.067 569 S CA -0.260 57.818 58.200 -0.203 0.000 0.908 569 S CB 0.868 64.020 63.200 -0.079 0.000 0.809 569 S HN 0.630 nan 8.310 nan 0.000 0.491 570 R N 0.365 120.504 120.500 -0.602 0.000 2.771 570 R HA 0.620 4.960 4.340 -0.000 0.000 0.274 570 R C -2.091 173.611 176.300 -0.996 0.000 0.987 570 R CA -0.679 55.090 56.100 -0.553 0.000 0.908 570 R CB 1.129 31.351 30.300 -0.129 0.000 1.213 570 R HN 0.302 nan 8.270 nan 0.000 0.468 571 F N 1.557 121.329 119.950 -0.296 0.000 2.536 571 F HA 0.474 5.001 4.527 -0.000 0.000 0.322 571 F C -0.560 175.228 175.800 -0.020 0.000 1.144 571 F CA -0.762 57.162 58.000 -0.125 0.000 0.924 571 F CB 1.333 40.218 39.000 -0.192 0.000 1.181 571 F HN 0.283 nan 8.300 nan 0.000 0.438 572 Y N 0.941 121.582 120.300 0.568 0.000 2.468 572 Y HA 0.827 5.377 4.550 -0.000 0.000 0.342 572 Y C 0.574 176.839 175.900 0.608 0.000 1.021 572 Y CA -1.136 57.197 58.100 0.389 0.000 1.079 572 Y CB 2.238 40.807 38.460 0.181 0.000 1.226 572 Y HN 0.887 nan 8.280 nan 0.000 0.460 573 G N 0.523 109.559 108.800 0.393 0.000 2.354 573 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.582 573 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.582 573 G C -1.828 173.093 174.900 0.034 0.000 1.316 573 G CA -1.264 44.108 45.100 0.452 0.000 0.995 573 G HN 0.798 nan 8.290 nan 0.000 0.573 574 H N 0.091 119.221 119.070 0.101 0.000 2.782 574 H HA 0.574 5.130 4.556 -0.000 0.000 0.285 574 H C 0.355 175.635 175.328 -0.080 0.000 1.093 574 H CA 0.477 56.437 56.048 -0.147 0.000 1.410 574 H CB 0.188 29.931 29.762 -0.033 0.000 1.439 574 H HN 0.720 nan 8.280 nan 0.000 0.469 575 F N 0.918 120.774 119.950 -0.157 0.000 3.394 575 F HA 0.274 4.801 4.527 -0.000 0.000 0.329 575 F C -2.346 173.391 175.800 -0.104 0.000 1.063 575 F CA -1.541 56.192 58.000 -0.445 0.000 0.832 575 F CB 0.784 39.113 39.000 -1.118 0.000 1.530 575 F HN 0.219 nan 8.300 nan 0.000 0.459 576 F N 2.745 122.730 119.950 0.059 0.000 2.444 576 F HA 0.646 5.173 4.527 -0.000 0.000 0.342 576 F C -0.796 175.081 175.800 0.129 0.000 1.121 576 F CA -0.457 57.585 58.000 0.070 0.000 0.997 576 F CB 1.053 40.055 39.000 0.003 0.000 1.130 576 F HN 0.685 nan 8.300 nan 0.000 0.454 577 N N 6.257 124.706 118.700 -0.418 0.000 2.455 577 N HA 0.311 5.051 4.740 -0.000 0.000 0.285 577 N C -0.730 174.477 175.510 -0.503 0.000 1.080 577 N CA -0.314 52.543 53.050 -0.322 0.000 0.932 577 N CB 2.017 40.473 38.487 -0.052 0.000 1.610 577 N HN 0.847 nan 8.380 nan 0.000 0.493 578 R N 1.067 121.314 120.500 -0.421 0.000 2.207 578 R HA 0.325 4.665 4.340 -0.000 0.000 0.180 578 R C 0.368 176.560 176.300 -0.180 0.000 1.445 578 R CA 0.298 56.200 56.100 -0.331 0.000 1.217 578 R CB 0.106 30.234 30.300 -0.286 0.000 1.135 578 R HN 0.451 nan 8.270 nan 0.000 0.481 579 S N 0.329 115.952 115.700 -0.130 0.000 2.809 579 S HA 0.201 4.671 4.470 -0.000 0.000 0.248 579 S C -0.593 173.964 174.600 -0.071 0.000 1.071 579 S CA -0.543 57.609 58.200 -0.079 0.000 1.059 579 S CB 1.123 64.290 63.200 -0.054 0.000 0.923 579 S HN 0.370 nan 8.310 nan 0.000 0.516 580 S N 0.996 116.625 115.700 -0.119 0.000 2.811 580 S HA 0.525 4.995 4.470 -0.000 0.000 0.311 580 S C -0.520 173.936 174.600 -0.241 0.000 1.152 580 S CA -0.679 57.443 58.200 -0.129 0.000 0.864 580 S CB 1.143 64.271 63.200 -0.121 0.000 1.226 580 S HN 0.170 nan 8.310 nan 0.000 0.541 581 D N -0.529 119.734 120.400 -0.228 0.000 2.402 581 D HA 0.215 4.855 4.640 -0.000 0.000 0.216 581 D C -0.097 175.900 176.300 -0.505 0.000 1.128 581 D CA -0.165 53.629 54.000 -0.344 0.000 0.833 581 D CB -0.046 40.773 40.800 0.033 0.000 0.971 581 D HN 0.260 nan 8.370 nan 0.000 0.503 582 L N 1.227 122.215 121.223 -0.391 0.000 2.296 582 L HA 0.330 4.670 4.340 -0.000 0.000 0.286 582 L C -0.986 175.705 176.870 -0.299 0.000 1.023 582 L CA -0.606 54.083 54.840 -0.252 0.000 0.812 582 L CB 1.622 43.621 42.059 -0.099 0.000 1.223 582 L HN 0.027 nan 8.230 nan 0.000 0.421 583 C N 4.649 123.810 119.300 -0.233 0.000 2.255 583 C HA 0.790 5.250 4.460 -0.000 0.000 0.326 583 C C 0.608 175.653 174.990 0.092 0.000 1.258 583 C CA -1.081 57.820 59.018 -0.196 0.000 1.676 583 C CB -0.006 27.423 27.740 -0.518 0.000 2.314 583 C HN 0.900 nan 8.230 nan 0.000 0.509 584 A N 3.419 126.317 122.820 0.130 0.000 2.301 584 A HA 0.789 5.109 4.320 -0.000 0.000 0.298 584 A C -0.847 176.818 177.584 0.135 0.000 1.185 584 A CA -0.137 52.023 52.037 0.206 0.000 0.830 584 A CB 0.077 19.200 19.000 0.206 0.000 1.112 584 A HN 0.723 nan 8.150 nan 0.000 0.508 585 F N 2.138 122.126 119.950 0.063 0.000 2.430 585 F HA 0.286 4.813 4.527 -0.000 0.000 0.362 585 F C 1.407 177.211 175.800 0.008 0.000 1.103 585 F CA -0.362 57.673 58.000 0.058 0.000 1.045 585 F CB 1.760 40.772 39.000 0.020 0.000 1.276 585 F HN 0.574 nan 8.300 nan 0.000 0.444 586 S N 0.797 116.549 115.700 0.088 0.000 2.400 586 S HA -0.084 4.386 4.470 -0.000 0.000 0.232 586 S C 0.842 175.438 174.600 -0.006 0.000 1.025 586 S CA 1.625 59.824 58.200 -0.002 0.000 0.993 586 S CB -0.217 62.933 63.200 -0.084 0.000 0.808 586 S HN 0.757 nan 8.310 nan 0.000 0.478 587 T N -1.349 113.215 114.554 0.016 0.000 2.982 587 T HA 0.576 4.926 4.350 -0.000 0.000 0.321 587 T C -0.950 173.814 174.700 0.107 0.000 1.229 587 T CA -0.782 61.284 62.100 -0.056 0.000 1.044 587 T CB 1.556 70.156 68.868 -0.445 0.000 1.184 587 T HN 0.089 nan 8.240 nan 0.000 0.477 588 M N 4.840 124.515 119.600 0.125 0.000 2.114 588 M HA 0.459 4.939 4.480 -0.000 0.000 0.332 588 M C -2.516 173.844 176.300 0.101 0.000 1.014 588 M CA -2.176 53.231 55.300 0.179 0.000 0.956 588 M CB 1.887 34.442 32.600 -0.074 0.000 1.551 588 M HN 0.504 nan 8.290 nan 0.000 0.427 589 P HA 0.211 nan 4.420 nan 0.000 0.293 589 P C -0.532 176.804 177.300 0.061 0.000 1.298 589 P CA -0.012 63.169 63.100 0.135 0.000 0.757 589 P CB 0.865 32.678 31.700 0.188 0.000 1.262 590 R N -0.491 120.034 120.500 0.042 0.000 2.369 590 R HA 0.061 4.401 4.340 -0.000 0.000 0.210 590 R C 1.080 177.408 176.300 0.045 0.000 0.881 590 R CA 0.701 56.811 56.100 0.017 0.000 1.031 590 R CB -0.699 29.576 30.300 -0.042 0.000 1.184 590 R HN 0.553 nan 8.270 nan 0.000 0.581 591 D N 0.298 120.721 120.400 0.039 0.000 2.319 591 D HA 0.005 4.645 4.640 -0.000 0.000 0.230 591 D C 0.265 176.542 176.300 -0.038 0.000 1.094 591 D CA 0.080 54.078 54.000 -0.003 0.000 0.856 591 D CB 0.276 41.079 40.800 0.005 0.000 0.915 591 D HN 0.109 nan 8.370 nan 0.000 0.517 592 Q N -0.432 119.346 119.800 -0.037 0.000 2.418 592 Q HA 0.574 4.914 4.340 -0.000 0.000 0.276 592 Q C -0.841 174.924 176.000 -0.392 0.000 1.081 592 Q CA -0.918 54.759 55.803 -0.211 0.000 0.864 592 Q CB 2.187 30.789 28.738 -0.226 0.000 1.384 592 Q HN -0.015 nan 8.270 nan 0.000 0.467 593 S N -0.837 114.491 115.700 -0.621 0.000 2.671 593 S HA 0.767 5.237 4.470 -0.000 0.000 0.299 593 S C -1.867 172.173 174.600 -0.933 0.000 1.116 593 S CA -0.374 57.475 58.200 -0.586 0.000 0.912 593 S CB 0.740 63.814 63.200 -0.210 0.000 1.130 593 S HN 0.447 nan 8.310 nan 0.000 0.501 594 Y N 0.202 120.610 120.300 0.180 0.000 2.615 594 Y HA 0.714 5.264 4.550 0.000 0.000 0.341 594 Y C -0.797 175.257 175.900 0.256 0.000 1.089 594 Y CA -0.960 57.325 58.100 0.308 0.000 1.049 594 Y CB 1.635 40.322 38.460 0.378 0.000 1.296 594 Y HN 0.613 nan 8.280 nan 0.000 0.470 595 L N 1.847 123.421 121.223 0.585 0.000 2.464 595 L HA 0.668 5.008 4.340 -0.000 0.000 0.266 595 L C -2.117 175.227 176.870 0.788 0.000 0.965 595 L CA -0.497 54.627 54.840 0.473 0.000 0.833 595 L CB 1.315 43.526 42.059 0.254 0.000 1.296 595 L HN 0.489 nan 8.230 nan 0.000 0.405 596 F N 2.555 122.620 119.950 0.190 0.000 2.482 596 F HA 0.445 4.972 4.527 -0.000 0.000 0.331 596 F C 0.213 176.022 175.800 0.016 0.000 1.115 596 F CA -1.032 56.988 58.000 0.033 0.000 0.955 596 F CB 1.926 40.923 39.000 -0.004 0.000 1.136 596 F HN 0.431 nan 8.300 nan 0.000 0.452 597 E N 2.620 122.889 120.200 0.116 0.000 2.249 597 E HA 0.587 4.937 4.350 -0.000 0.000 0.280 597 E C -1.496 175.069 176.600 -0.058 0.000 1.016 597 E CA -0.413 56.085 56.400 0.163 0.000 0.830 597 E CB 1.299 31.133 29.700 0.224 0.000 1.081 597 E HN 0.406 nan 8.360 nan 0.000 0.395 598 V N 4.036 123.848 119.914 -0.170 0.000 2.667 598 V HA 0.390 4.510 4.120 -0.000 0.000 0.308 598 V C -0.491 175.487 176.094 -0.194 0.000 1.048 598 V CA -0.966 61.112 62.300 -0.370 0.000 0.928 598 V CB 1.818 33.015 31.823 -1.043 0.000 1.004 598 V HN 0.706 nan 8.190 nan 0.000 0.444 599 N N 1.256 119.900 118.700 -0.093 0.000 2.284 599 N HA 0.612 5.352 4.740 -0.000 0.000 0.300 599 N C -1.091 174.464 175.510 0.075 0.000 1.047 599 N CA -0.398 52.672 53.050 0.033 0.000 0.821 599 N CB 2.229 40.735 38.487 0.031 0.000 1.337 599 N HN 0.425 nan 8.380 nan 0.000 0.482 600 V N 2.685 122.683 119.914 0.139 0.000 2.318 600 V HA 0.230 4.350 4.120 -0.000 0.000 0.271 600 V C 0.066 176.212 176.094 0.087 0.000 1.030 600 V CA -0.342 62.040 62.300 0.137 0.000 0.844 600 V CB 0.972 32.892 31.823 0.162 0.000 1.015 600 V HN 0.670 nan 8.190 nan 0.000 0.460 601 D N 2.666 123.109 120.400 0.072 0.000 2.458 601 D HA 0.077 4.717 4.640 -0.000 0.000 0.252 601 D C 0.725 177.055 176.300 0.051 0.000 1.221 601 D CA 0.438 54.471 54.000 0.056 0.000 0.985 601 D CB 0.213 41.043 40.800 0.050 0.000 1.050 601 D HN 0.610 nan 8.370 nan 0.000 0.411 602 E N 1.103 121.333 120.200 0.051 0.000 2.390 602 E HA 0.248 4.598 4.350 -0.000 0.000 0.261 602 E C -0.259 176.368 176.600 0.045 0.000 1.076 602 E CA -0.046 56.381 56.400 0.044 0.000 0.905 602 E CB 0.715 30.442 29.700 0.045 0.000 0.984 602 E HN -0.063 nan 8.360 nan 0.000 0.427 603 S N 1.508 117.229 115.700 0.034 0.000 2.531 603 S HA 0.132 4.602 4.470 -0.000 0.000 0.279 603 S C 0.447 175.066 174.600 0.031 0.000 1.305 603 S CA -0.423 57.794 58.200 0.028 0.000 1.058 603 S CB 0.136 63.347 63.200 0.017 0.000 0.899 603 S HN 0.273 nan 8.310 nan 0.000 0.493 604 I N 3.737 124.324 120.570 0.029 0.000 2.575 604 I HA 0.066 4.236 4.170 -0.000 0.000 0.285 604 I C 1.052 177.179 176.117 0.017 0.000 1.085 604 I CA -0.173 61.146 61.300 0.032 0.000 1.403 604 I CB 0.579 38.593 38.000 0.024 0.000 1.409 604 I HN 0.598 nan 8.210 nan 0.000 0.557 605 M N 3.699 123.316 119.600 0.028 0.000 2.571 605 M HA 0.248 4.727 4.480 -0.000 0.000 0.259 605 M C 0.798 177.112 176.300 0.023 0.000 1.205 605 M CA 0.244 55.558 55.300 0.022 0.000 1.138 605 M CB -0.609 32.010 32.600 0.031 0.000 1.329 605 M HN 0.653 nan 8.290 nan 0.000 0.503 606 A N 0.926 123.773 122.820 0.043 0.000 2.296 606 A HA 0.219 4.539 4.320 -0.000 0.000 0.264 606 A C 0.616 178.192 177.584 -0.013 0.000 1.097 606 A CA -0.169 51.908 52.037 0.066 0.000 0.811 606 A CB 0.262 19.351 19.000 0.149 0.000 1.072 606 A HN 0.267 nan 8.150 nan 0.000 0.495 607 D N -1.144 119.236 120.400 -0.034 0.000 2.349 607 D HA 0.137 4.777 4.640 -0.000 0.000 0.224 607 D C -0.845 175.002 176.300 -0.756 0.000 1.029 607 D CA 1.374 55.158 54.000 -0.360 0.000 0.879 607 D CB -0.067 40.480 40.800 -0.422 0.000 0.906 607 D HN 0.469 nan 8.370 nan 0.000 0.528 608 Y N -0.678 119.546 120.300 -0.127 0.000 2.562 608 Y HA 0.360 4.910 4.550 -0.000 0.000 0.345 608 Y C 0.134 175.781 175.900 -0.422 0.000 1.045 608 Y CA -1.556 56.343 58.100 -0.336 0.000 1.028 608 Y CB 1.421 39.608 38.460 -0.455 0.000 1.297 608 Y HN -0.089 nan 8.280 nan 0.000 0.463 609 C N -0.325 118.699 119.300 -0.459 0.000 2.848 609 C HA 0.945 5.405 4.460 -0.000 0.000 0.317 609 C C -1.567 173.030 174.990 -0.655 0.000 1.260 609 C CA -1.162 57.672 59.018 -0.308 0.000 1.656 609 C CB 0.795 28.504 27.740 -0.051 0.000 2.174 609 C HN 0.719 nan 8.230 nan 0.000 0.479 610 Y N -0.344 119.898 120.300 -0.097 0.000 2.581 610 Y HA 0.786 5.336 4.550 -0.000 0.000 0.345 610 Y C -0.299 175.704 175.900 0.172 0.000 1.036 610 Y CA -1.257 56.756 58.100 -0.145 0.000 1.042 610 Y CB 1.800 39.908 38.460 -0.587 0.000 1.289 610 Y HN 0.633 nan 8.280 nan 0.000 0.471 611 V N 1.871 122.025 119.914 0.401 0.000 2.623 611 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 611 V C -1.097 175.236 176.094 0.398 0.000 1.054 611 V CA -0.818 61.717 62.300 0.392 0.000 0.882 611 V CB 1.876 33.817 31.823 0.198 0.000 1.002 611 V HN 0.780 nan 8.190 nan 0.000 0.424 612 Q N 3.324 123.312 119.800 0.314 0.000 2.310 612 Q HA 0.671 5.011 4.340 -0.000 0.000 0.270 612 Q C -1.748 174.280 176.000 0.046 0.000 1.025 612 Q CA -0.419 55.480 55.803 0.161 0.000 0.772 612 Q CB 2.285 31.031 28.738 0.012 0.000 1.253 612 Q HN 0.594 nan 8.270 nan 0.000 0.450 613 V N 2.574 122.500 119.914 0.019 0.000 2.439 613 V HA 0.765 4.885 4.120 -0.000 0.000 0.282 613 V C -0.291 175.754 176.094 -0.082 0.000 1.039 613 V CA -0.410 61.873 62.300 -0.027 0.000 0.913 613 V CB 1.258 33.037 31.823 -0.073 0.000 0.983 613 V HN 0.832 nan 8.190 nan 0.000 0.460 614 A N 4.666 127.438 122.820 -0.079 0.000 2.355 614 A HA 0.860 5.180 4.320 -0.000 0.000 0.317 614 A C -1.009 176.503 177.584 -0.121 0.000 1.094 614 A CA -0.543 51.399 52.037 -0.158 0.000 0.764 614 A CB 1.852 20.769 19.000 -0.139 0.000 1.230 614 A HN 0.649 nan 8.150 nan 0.000 0.448 615 V N 3.367 123.188 119.914 -0.154 0.000 2.380 615 V HA 0.300 4.419 4.120 -0.000 0.000 0.286 615 V C -0.773 175.268 176.094 -0.088 0.000 1.015 615 V CA -0.388 61.838 62.300 -0.123 0.000 0.834 615 V CB 1.068 32.813 31.823 -0.130 0.000 1.009 615 V HN 0.791 nan 8.190 nan 0.000 0.428 616 L N 8.055 129.253 121.223 -0.042 0.000 2.261 616 L HA 0.744 5.084 4.340 -0.000 0.000 0.289 616 L C -0.494 176.381 176.870 0.009 0.000 1.059 616 L CA 0.192 55.028 54.840 -0.006 0.000 0.816 616 L CB 0.681 42.777 42.059 0.061 0.000 1.191 616 L HN 0.658 nan 8.230 nan 0.000 0.431 617 L N 1.990 123.222 121.223 0.014 0.000 2.341 617 L HA 0.806 5.146 4.340 -0.000 0.000 0.254 617 L C -0.449 176.451 176.870 0.050 0.000 1.040 617 L CA -0.578 54.284 54.840 0.037 0.000 0.837 617 L CB 2.083 44.174 42.059 0.052 0.000 1.425 617 L HN 0.290 nan 8.230 nan 0.000 0.414 618 S N 1.713 117.450 115.700 0.061 0.000 2.622 618 S HA 0.561 5.031 4.470 -0.000 0.000 0.283 618 S C -0.496 174.145 174.600 0.070 0.000 1.197 618 S CA -0.378 57.859 58.200 0.061 0.000 1.146 618 S CB 0.598 63.834 63.200 0.060 0.000 1.007 618 S HN 0.609 nan 8.310 nan 0.000 0.478 619 L N 3.725 124.985 121.223 0.063 0.000 2.482 619 L HA 0.246 4.586 4.340 -0.000 0.000 0.273 619 L C 1.065 177.963 176.870 0.047 0.000 1.228 619 L CA 0.295 55.170 54.840 0.057 0.000 0.827 619 L CB 0.364 42.453 42.059 0.050 0.000 1.099 619 L HN 0.645 nan 8.230 nan 0.000 0.494 620 N N 1.529 120.243 118.700 0.024 0.000 2.542 620 N HA -0.039 4.701 4.740 -0.000 0.000 0.234 620 N C -0.402 175.159 175.510 0.084 0.000 1.257 620 N CA 0.165 53.214 53.050 -0.002 0.000 0.883 620 N CB -0.983 37.395 38.487 -0.181 0.000 1.197 620 N HN 0.684 nan 8.380 nan 0.000 0.488 621 N N -1.392 117.350 118.700 0.071 0.000 2.475 621 N HA 0.022 4.762 4.740 -0.000 0.000 0.272 621 N C -0.826 174.714 175.510 0.049 0.000 1.482 621 N CA -0.583 52.513 53.050 0.076 0.000 0.863 621 N CB -0.135 38.375 38.487 0.038 0.000 1.400 621 N HN 0.001 nan 8.380 nan 0.000 0.489 622 S N -0.442 115.287 115.700 0.048 0.000 3.473 622 S HA -0.239 4.231 4.470 -0.000 0.000 0.339 622 S C -0.289 174.334 174.600 0.038 0.000 1.148 622 S CA 0.872 59.097 58.200 0.042 0.000 0.969 622 S CB -1.514 61.709 63.200 0.040 0.000 0.936 622 S HN 0.738 nan 8.310 nan 0.000 0.530 623 Q N -0.321 119.502 119.800 0.038 0.000 2.306 623 Q HA 0.647 4.987 4.340 -0.000 0.000 0.265 623 Q C -0.099 175.924 176.000 0.040 0.000 1.022 623 Q CA -0.920 54.904 55.803 0.035 0.000 0.853 623 Q CB 1.291 30.044 28.738 0.026 0.000 1.327 623 Q HN 0.173 nan 8.270 nan 0.000 0.449 624 R N 1.709 122.233 120.500 0.040 0.000 2.255 624 R HA 0.402 4.742 4.340 -0.000 0.000 0.326 624 R C -1.005 175.308 176.300 0.022 0.000 0.986 624 R CA 0.059 56.184 56.100 0.041 0.000 0.847 624 R CB 0.666 31.001 30.300 0.059 0.000 1.111 624 R HN 0.556 nan 8.270 nan 0.000 0.452 625 R N 3.665 124.172 120.500 0.012 0.000 2.855 625 R HA 0.605 4.945 4.340 -0.000 0.000 0.266 625 R C -0.724 175.548 176.300 -0.047 0.000 1.034 625 R CA -1.014 55.081 56.100 -0.008 0.000 0.944 625 R CB 1.907 32.217 30.300 0.016 0.000 1.219 625 R HN 0.467 nan 8.270 nan 0.000 0.474 626 I N 1.320 121.852 120.570 -0.062 0.000 2.497 626 I HA 0.349 4.519 4.170 -0.000 0.000 0.284 626 I C -0.570 175.491 176.117 -0.093 0.000 1.060 626 I CA -0.560 60.665 61.300 -0.125 0.000 1.071 626 I CB 2.073 39.923 38.000 -0.249 0.000 1.216 626 I HN 0.341 nan 8.210 nan 0.000 0.442 627 R N 6.762 127.178 120.500 -0.140 0.000 2.312 627 R HA 0.650 4.990 4.340 -0.000 0.000 0.311 627 R C -1.106 175.055 176.300 -0.232 0.000 1.004 627 R CA -0.470 55.523 56.100 -0.178 0.000 0.902 627 R CB 1.011 31.194 30.300 -0.194 0.000 1.073 627 R HN 0.467 nan 8.270 nan 0.000 0.457 628 I N 6.135 126.561 120.570 -0.240 0.000 2.530 628 I HA 0.401 4.571 4.170 -0.000 0.000 0.297 628 I C -0.101 175.896 176.117 -0.200 0.000 1.011 628 I CA -0.940 60.217 61.300 -0.238 0.000 1.107 628 I CB 1.858 39.732 38.000 -0.210 0.000 1.285 628 I HN 0.670 nan 8.210 nan 0.000 0.436 629 I N 4.228 124.720 120.570 -0.129 0.000 2.503 629 I HA 0.225 4.395 4.170 -0.000 0.000 0.282 629 I C -0.554 175.583 176.117 0.033 0.000 1.059 629 I CA -0.240 61.006 61.300 -0.090 0.000 1.081 629 I CB 1.993 39.947 38.000 -0.076 0.000 1.210 629 I HN 0.446 nan 8.210 nan 0.000 0.450 630 T N 6.565 121.178 114.554 0.099 0.000 2.771 630 T HA 0.605 4.955 4.350 -0.000 0.000 0.281 630 T C -0.636 174.230 174.700 0.276 0.000 0.982 630 T CA -0.442 61.812 62.100 0.257 0.000 0.978 630 T CB 1.913 71.001 68.868 0.366 0.000 0.930 630 T HN 0.246 nan 8.240 nan 0.000 0.447 631 L N 3.111 124.470 121.223 0.226 0.000 2.362 631 L HA 0.845 5.185 4.340 -0.000 0.000 0.275 631 L C -0.829 175.994 176.870 -0.078 0.000 0.998 631 L CA -0.661 54.244 54.840 0.108 0.000 0.820 631 L CB 1.274 43.388 42.059 0.091 0.000 1.270 631 L HN 0.767 nan 8.230 nan 0.000 0.415 632 A N 6.180 128.806 122.820 -0.324 0.000 2.331 632 A HA 0.885 5.205 4.320 -0.000 0.000 0.320 632 A C -0.924 176.440 177.584 -0.367 0.000 1.138 632 A CA -0.536 51.091 52.037 -0.684 0.000 0.790 632 A CB 0.894 18.962 19.000 -1.552 0.000 1.206 632 A HN 0.746 nan 8.150 nan 0.000 0.470 633 M N 4.358 123.746 119.600 -0.353 0.000 2.395 633 M HA 0.420 4.900 4.480 -0.000 0.000 0.307 633 M C -2.626 173.568 176.300 -0.176 0.000 1.091 633 M CA -1.872 53.321 55.300 -0.178 0.000 0.919 633 M CB 2.981 35.511 32.600 -0.117 0.000 1.662 633 M HN 0.441 nan 8.290 nan 0.000 0.440 634 P HA 0.130 nan 4.420 nan 0.000 0.275 634 P C -0.725 176.399 177.300 -0.292 0.000 1.228 634 P CA -0.166 62.758 63.100 -0.293 0.000 0.786 634 P CB 0.642 32.215 31.700 -0.212 0.000 0.927 635 T N -0.891 113.445 114.554 -0.363 0.000 2.927 635 T HA 0.609 4.958 4.350 -0.000 0.000 0.281 635 T C -0.084 174.486 174.700 -0.217 0.000 0.998 635 T CA -0.524 61.428 62.100 -0.246 0.000 1.019 635 T CB 1.238 69.982 68.868 -0.206 0.000 1.061 635 T HN 0.536 nan 8.240 nan 0.000 0.518 636 T N -0.623 113.835 114.554 -0.160 0.000 2.840 636 T HA 0.376 4.726 4.350 -0.000 0.000 0.317 636 T C -0.555 174.087 174.700 -0.097 0.000 1.401 636 T CA -0.643 61.381 62.100 -0.127 0.000 1.028 636 T CB 1.912 70.712 68.868 -0.113 0.000 1.317 636 T HN 0.753 nan 8.240 nan 0.000 0.495 637 E N 0.757 120.911 120.200 -0.077 0.000 2.562 637 E HA 0.177 4.527 4.350 -0.000 0.000 0.214 637 E C -0.041 176.528 176.600 -0.051 0.000 0.979 637 E CA -0.142 56.223 56.400 -0.059 0.000 1.002 637 E CB 0.929 30.598 29.700 -0.051 0.000 1.048 637 E HN 0.384 nan 8.360 nan 0.000 0.488 638 S N 1.724 117.392 115.700 -0.053 0.000 2.400 638 S HA 0.079 4.549 4.470 -0.000 0.000 0.295 638 S C 0.975 175.558 174.600 -0.029 0.000 1.113 638 S CA -0.440 57.733 58.200 -0.044 0.000 1.064 638 S CB 0.491 63.665 63.200 -0.044 0.000 0.990 638 S HN 0.191 nan 8.310 nan 0.000 0.502 639 L N 6.637 127.844 121.223 -0.025 0.000 2.127 639 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 639 L C 2.336 179.232 176.870 0.044 0.000 1.089 639 L CA 2.510 57.358 54.840 0.013 0.000 0.757 639 L CB -1.242 40.803 42.059 -0.023 0.000 0.899 639 L HN 0.799 nan 8.230 nan 0.000 0.434 640 A N -0.956 121.848 122.820 -0.026 0.000 1.902 640 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 640 A C 2.227 179.844 177.584 0.056 0.000 1.181 640 A CA 1.725 53.750 52.037 -0.020 0.000 0.623 640 A CB -0.592 18.369 19.000 -0.065 0.000 0.818 640 A HN 0.578 nan 8.150 nan 0.000 0.443 641 E N -0.470 119.742 120.200 0.021 0.000 2.150 641 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 641 E C 1.919 178.529 176.600 0.017 0.000 0.985 641 E CA 1.059 57.468 56.400 0.015 0.000 0.814 641 E CB -0.144 29.543 29.700 -0.022 0.000 0.752 641 E HN 0.411 nan 8.360 nan 0.000 0.466 642 V N 0.255 120.183 119.914 0.023 0.000 2.343 642 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 642 V C 1.732 177.820 176.094 -0.010 0.000 1.051 642 V CA 1.645 63.928 62.300 -0.027 0.000 1.036 642 V CB -0.525 31.280 31.823 -0.031 0.000 0.654 642 V HN 0.298 nan 8.190 nan 0.000 0.451 643 Y N 0.546 120.828 120.300 -0.031 0.000 2.263 643 Y HA -0.024 4.526 4.550 -0.000 0.000 0.292 643 Y C 2.492 178.408 175.900 0.027 0.000 1.130 643 Y CA 1.109 59.218 58.100 0.015 0.000 1.179 643 Y CB -0.622 37.903 38.460 0.109 0.000 0.998 643 Y HN 0.184 nan 8.280 nan 0.000 0.532 644 A N -1.602 121.328 122.820 0.183 0.000 2.067 644 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 644 A C 2.043 179.662 177.584 0.059 0.000 1.158 644 A CA 1.747 53.867 52.037 0.138 0.000 0.661 644 A CB -0.491 18.593 19.000 0.140 0.000 0.801 644 A HN 0.290 nan 8.150 nan 0.000 0.452 645 S N -0.569 115.134 115.700 0.006 0.000 2.554 645 S HA 0.484 4.954 4.470 -0.000 0.000 0.226 645 S C 0.728 175.278 174.600 -0.082 0.000 0.980 645 S CA 0.120 58.298 58.200 -0.036 0.000 0.939 645 S CB 0.058 63.227 63.200 -0.052 0.000 0.832 645 S HN 0.690 nan 8.310 nan 0.000 0.486 646 A N 2.155 124.908 122.820 -0.112 0.000 2.477 646 A HA 0.252 4.572 4.320 -0.000 0.000 0.246 646 A C 0.048 177.556 177.584 -0.127 0.000 1.078 646 A CA -0.145 51.785 52.037 -0.178 0.000 0.770 646 A CB 0.093 18.924 19.000 -0.282 0.000 1.011 646 A HN 0.184 nan 8.150 nan 0.000 0.494 647 D N 2.571 122.897 120.400 -0.123 0.000 2.468 647 D HA 0.096 4.736 4.640 -0.000 0.000 0.218 647 D C 1.550 177.802 176.300 -0.080 0.000 1.155 647 D CA -0.158 53.796 54.000 -0.076 0.000 0.924 647 D CB 0.638 41.409 40.800 -0.048 0.000 1.029 647 D HN 0.676 nan 8.370 nan 0.000 0.515 648 Q N 3.130 122.892 119.800 -0.063 0.000 2.112 648 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 648 Q C 1.417 177.458 176.000 0.067 0.000 0.987 648 Q CA 1.203 56.995 55.803 -0.019 0.000 0.858 648 Q CB -0.234 28.528 28.738 0.041 0.000 0.905 648 Q HN 0.504 nan 8.270 nan 0.000 0.420 649 L N 0.519 121.769 121.223 0.046 0.000 2.093 649 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 649 L C 2.749 179.658 176.870 0.065 0.000 1.085 649 L CA 0.836 55.713 54.840 0.061 0.000 0.755 649 L CB -0.681 41.393 42.059 0.026 0.000 0.904 649 L HN 0.376 nan 8.230 nan 0.000 0.435 650 A N 0.438 123.279 122.820 0.035 0.000 1.898 650 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 650 A C 2.223 179.843 177.584 0.059 0.000 1.181 650 A CA 1.255 53.316 52.037 0.041 0.000 0.620 650 A CB -0.519 18.492 19.000 0.018 0.000 0.819 650 A HN 0.313 nan 8.150 nan 0.000 0.442 651 I N -0.198 120.377 120.570 0.008 0.000 2.179 651 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 651 I C 3.005 179.271 176.117 0.248 0.000 1.088 651 I CA 1.014 62.300 61.300 -0.022 0.000 1.357 651 I CB -0.391 37.459 38.000 -0.251 0.000 1.051 651 I HN 0.357 nan 8.210 nan 0.000 0.409 652 A N -0.113 122.920 122.820 0.356 0.000 1.917 652 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 652 A C 2.499 180.231 177.584 0.248 0.000 1.182 652 A CA 2.504 54.792 52.037 0.419 0.000 0.633 652 A CB -0.935 18.229 19.000 0.274 0.000 0.819 652 A HN 0.424 nan 8.150 nan 0.000 0.448 653 S N -1.827 113.968 115.700 0.159 0.000 2.368 653 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 653 S C 1.735 176.368 174.600 0.055 0.000 1.030 653 S CA 1.476 59.729 58.200 0.089 0.000 0.999 653 S CB -0.539 62.702 63.200 0.068 0.000 0.844 653 S HN 0.567 nan 8.310 nan 0.000 0.459 654 F N 1.122 121.010 119.950 -0.103 0.000 2.046 654 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 654 F C 1.875 177.508 175.800 -0.278 0.000 1.123 654 F CA 1.940 59.786 58.000 -0.257 0.000 1.199 654 F CB -0.684 38.071 39.000 -0.408 0.000 0.972 654 F HN 0.304 nan 8.300 nan 0.000 0.474 655 Y N -0.169 120.278 120.300 0.244 0.000 2.421 655 Y HA -0.222 4.328 4.550 -0.000 0.000 0.292 655 Y C 2.293 178.147 175.900 -0.077 0.000 1.136 655 Y CA 1.058 59.218 58.100 0.101 0.000 1.255 655 Y CB -0.646 37.952 38.460 0.229 0.000 0.991 655 Y HN 0.272 nan 8.280 nan 0.000 0.552 656 N N -0.283 118.455 118.700 0.063 0.000 2.142 656 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 656 N C 1.758 177.243 175.510 -0.042 0.000 1.023 656 N CA 1.739 54.787 53.050 -0.003 0.000 0.852 656 N CB -0.231 38.271 38.487 0.025 0.000 0.998 656 N HN -0.009 nan 8.380 nan 0.000 0.424 657 S N -0.116 115.474 115.700 -0.182 0.000 2.371 657 S HA 0.014 4.484 4.470 -0.000 0.000 0.224 657 S C 1.663 176.051 174.600 -0.354 0.000 1.029 657 S CA 0.593 58.610 58.200 -0.305 0.000 0.978 657 S CB -0.136 62.700 63.200 -0.607 0.000 0.833 657 S HN 0.300 nan 8.310 nan 0.000 0.466 658 K N 1.920 122.058 120.400 -0.437 0.000 2.097 658 K HA 0.065 4.385 4.320 -0.000 0.000 0.206 658 K C 2.247 178.828 176.600 -0.031 0.000 1.049 658 K CA 1.224 57.368 56.287 -0.238 0.000 0.933 658 K CB -0.780 31.632 32.500 -0.146 0.000 0.717 658 K HN 0.358 nan 8.250 nan 0.000 0.442 659 A N 0.992 123.791 122.820 -0.036 0.000 1.902 659 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 659 A C 2.504 180.233 177.584 0.242 0.000 1.181 659 A CA 1.550 53.562 52.037 -0.042 0.000 0.623 659 A CB -0.619 18.098 19.000 -0.470 0.000 0.818 659 A HN 0.066 nan 8.150 nan 0.000 0.443 660 V N 0.062 120.143 119.914 0.278 0.000 2.427 660 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 660 V C 2.508 178.711 176.094 0.182 0.000 1.051 660 V CA 2.283 64.748 62.300 0.277 0.000 1.048 660 V CB -0.645 31.282 31.823 0.172 0.000 0.666 660 V HN 0.798 nan 8.190 nan 0.000 0.456 661 E N 0.364 120.663 120.200 0.165 0.000 2.031 661 E HA -0.305 4.044 4.350 -0.000 0.000 0.193 661 E C 2.243 178.925 176.600 0.137 0.000 0.994 661 E CA 1.599 58.103 56.400 0.173 0.000 0.800 661 E CB -0.079 29.770 29.700 0.249 0.000 0.752 661 E HN 0.389 nan 8.360 nan 0.000 0.447 662 K N 0.681 121.160 120.400 0.131 0.000 2.044 662 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 662 K C 1.776 178.451 176.600 0.125 0.000 1.049 662 K CA 1.710 58.066 56.287 0.115 0.000 0.927 662 K CB -0.633 31.927 32.500 0.099 0.000 0.713 662 K HN 0.261 nan 8.250 nan 0.000 0.443 663 A N 0.521 123.446 122.820 0.176 0.000 1.828 663 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 663 A C 2.167 179.804 177.584 0.090 0.000 1.203 663 A CA 1.736 53.866 52.037 0.154 0.000 0.614 663 A CB -1.016 18.102 19.000 0.196 0.000 0.844 663 A HN 0.312 nan 8.150 nan 0.000 0.445 664 L N 0.198 121.468 121.223 0.079 0.000 2.357 664 L HA -0.228 4.112 4.340 -0.000 0.000 0.220 664 L C 1.972 178.876 176.870 0.056 0.000 1.123 664 L CA 1.615 56.487 54.840 0.053 0.000 0.782 664 L CB -0.603 41.487 42.059 0.051 0.000 0.910 664 L HN 0.833 nan 8.230 nan 0.000 0.442 665 N N -3.305 115.435 118.700 0.066 0.000 2.239 665 N HA -0.045 4.695 4.740 -0.000 0.000 0.208 665 N C 1.050 176.590 175.510 0.050 0.000 1.200 665 N CA 0.654 53.737 53.050 0.055 0.000 0.895 665 N CB 0.450 38.971 38.487 0.057 0.000 1.085 665 N HN 0.064 nan 8.380 nan 0.000 0.500 666 S N -0.327 115.408 115.700 0.059 0.000 3.248 666 S HA 0.556 5.026 4.470 -0.000 0.000 0.173 666 S C -0.334 174.298 174.600 0.053 0.000 0.749 666 S CA 0.590 58.822 58.200 0.053 0.000 0.898 666 S CB -0.466 62.770 63.200 0.059 0.000 1.027 666 S HN 0.541 nan 8.310 nan 0.000 0.781 667 S N -0.303 115.436 115.700 0.065 0.000 2.570 667 S HA 0.527 4.997 4.470 -0.000 0.000 0.270 667 S C 0.462 175.116 174.600 0.090 0.000 1.149 667 S CA -0.716 57.523 58.200 0.064 0.000 0.837 667 S CB 0.613 63.843 63.200 0.051 0.000 1.124 667 S HN 0.407 nan 8.310 nan 0.000 0.465 668 L N 0.721 121.997 121.223 0.089 0.000 2.017 668 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 668 L C 2.471 179.419 176.870 0.129 0.000 1.073 668 L CA 2.165 57.083 54.840 0.131 0.000 0.745 668 L CB -0.684 41.432 42.059 0.095 0.000 0.894 668 L HN 0.945 nan 8.230 nan 0.000 0.432 669 D N 0.072 120.523 120.400 0.084 0.000 2.104 669 D HA -0.250 4.390 4.640 -0.000 0.000 0.194 669 D C 1.850 178.187 176.300 0.061 0.000 0.994 669 D CA 1.429 55.470 54.000 0.067 0.000 0.830 669 D CB 0.066 40.896 40.800 0.049 0.000 0.959 669 D HN 0.216 nan 8.370 nan 0.000 0.452 670 D N -0.488 119.949 120.400 0.061 0.000 2.149 670 D HA -0.192 4.448 4.640 -0.000 0.000 0.198 670 D C 1.939 178.269 176.300 0.049 0.000 0.990 670 D CA 1.241 55.273 54.000 0.053 0.000 0.839 670 D CB -0.094 40.740 40.800 0.057 0.000 0.948 670 D HN 0.354 nan 8.370 nan 0.000 0.460 671 A N 1.115 123.979 122.820 0.074 0.000 1.930 671 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 671 A C 2.180 179.731 177.584 -0.057 0.000 1.175 671 A CA 0.850 52.911 52.037 0.041 0.000 0.627 671 A CB -0.283 18.833 19.000 0.194 0.000 0.815 671 A HN 0.117 nan 8.150 nan 0.000 0.443 672 R N -0.630 119.871 120.500 0.003 0.000 2.073 672 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 672 R C 2.061 178.345 176.300 -0.027 0.000 1.134 672 R CA 1.480 57.562 56.100 -0.029 0.000 0.952 672 R CB -0.662 29.655 30.300 0.029 0.000 0.850 672 R HN 0.377 nan 8.270 nan 0.000 0.433 673 V N 1.897 121.814 119.914 0.004 0.000 2.324 673 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 673 V C 2.324 178.413 176.094 -0.008 0.000 1.060 673 V CA 1.824 64.130 62.300 0.011 0.000 1.042 673 V CB -0.469 31.368 31.823 0.023 0.000 0.650 673 V HN 0.339 nan 8.190 nan 0.000 0.450 674 L N -0.750 120.461 121.223 -0.020 0.000 2.093 674 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 674 L C 2.253 179.066 176.870 -0.095 0.000 1.085 674 L CA 1.623 56.445 54.840 -0.029 0.000 0.755 674 L CB -0.157 41.903 42.059 0.000 0.000 0.904 674 L HN 0.225 nan 8.230 nan 0.000 0.435 675 I N 0.020 120.510 120.570 -0.133 0.000 2.142 675 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 675 I C 2.163 178.203 176.117 -0.129 0.000 1.078 675 I CA 1.335 62.525 61.300 -0.184 0.000 1.343 675 I CB -0.592 37.256 38.000 -0.253 0.000 1.046 675 I HN 0.356 nan 8.210 nan 0.000 0.405 676 N N 0.947 119.622 118.700 -0.042 0.000 2.166 676 N HA -0.216 4.524 4.740 -0.000 0.000 0.186 676 N C 1.833 177.364 175.510 0.034 0.000 1.019 676 N CA 1.152 54.242 53.050 0.067 0.000 0.856 676 N CB -0.241 38.321 38.487 0.125 0.000 0.993 676 N HN 0.395 nan 8.380 nan 0.000 0.426 677 K N 1.415 121.807 120.400 -0.013 0.000 2.057 677 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 677 K C 2.214 178.784 176.600 -0.049 0.000 1.049 677 K CA 1.540 57.817 56.287 -0.016 0.000 0.931 677 K CB -0.060 32.432 32.500 -0.012 0.000 0.714 677 K HN 0.171 nan 8.250 nan 0.000 0.440 678 S N 0.087 115.681 115.700 -0.176 0.000 2.387 678 S HA -0.143 4.327 4.470 -0.000 0.000 0.230 678 S C 1.977 176.601 174.600 0.039 0.000 1.035 678 S CA 1.648 59.655 58.200 -0.321 0.000 1.014 678 S CB -0.630 61.975 63.200 -0.992 0.000 0.836 678 S HN 0.148 nan 8.310 nan 0.000 0.466 679 V N 1.793 121.744 119.914 0.062 0.000 2.407 679 V HA -0.103 4.016 4.120 -0.000 0.000 0.245 679 V C 2.914 179.092 176.094 0.141 0.000 1.041 679 V CA 1.887 64.296 62.300 0.181 0.000 1.040 679 V CB -0.911 31.004 31.823 0.153 0.000 0.671 679 V HN 0.596 nan 8.190 nan 0.000 0.455 680 Q N -0.093 119.748 119.800 0.068 0.000 2.050 680 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 680 Q C 1.965 178.001 176.000 0.061 0.000 0.980 680 Q CA 2.041 57.864 55.803 0.033 0.000 0.840 680 Q CB -0.111 28.630 28.738 0.005 0.000 0.898 680 Q HN 0.602 nan 8.270 nan 0.000 0.424 681 D N 0.423 120.865 120.400 0.070 0.000 2.123 681 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 681 D C 1.919 178.299 176.300 0.132 0.000 0.992 681 D CA 1.193 55.243 54.000 0.085 0.000 0.833 681 D CB -0.179 40.667 40.800 0.077 0.000 0.954 681 D HN 0.373 nan 8.370 nan 0.000 0.455 682 I N 0.454 121.128 120.570 0.173 0.000 2.202 682 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 682 I C 2.443 178.712 176.117 0.254 0.000 1.091 682 I CA 0.612 62.061 61.300 0.249 0.000 1.368 682 I CB -0.108 38.034 38.000 0.236 0.000 1.058 682 I HN -0.038 nan 8.210 nan 0.000 0.410 683 L N 0.385 121.718 121.223 0.182 0.000 2.083 683 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 683 L C 2.788 179.725 176.870 0.112 0.000 1.083 683 L CA 1.253 56.170 54.840 0.128 0.000 0.752 683 L CB -0.646 41.448 42.059 0.059 0.000 0.899 683 L HN 0.246 nan 8.230 nan 0.000 0.433 684 A N -0.579 122.293 122.820 0.087 0.000 1.897 684 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 684 A C 2.358 179.977 177.584 0.059 0.000 1.181 684 A CA 2.079 54.150 52.037 0.056 0.000 0.620 684 A CB -0.804 18.220 19.000 0.039 0.000 0.821 684 A HN 0.336 nan 8.150 nan 0.000 0.443 685 T N -1.483 113.125 114.554 0.090 0.000 2.708 685 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 685 T C 1.796 176.477 174.700 -0.033 0.000 1.037 685 T CA 1.721 63.856 62.100 0.060 0.000 1.146 685 T CB -0.474 68.485 68.868 0.151 0.000 0.865 685 T HN 0.533 nan 8.240 nan 0.000 0.435 686 Y N 2.072 122.287 120.300 -0.142 0.000 2.128 686 Y HA -0.191 4.359 4.550 0.000 0.000 0.284 686 Y C 2.563 178.356 175.900 -0.179 0.000 1.154 686 Y CA 1.860 59.780 58.100 -0.299 0.000 1.149 686 Y CB -0.144 38.202 38.460 -0.191 0.000 0.976 686 Y HN 0.034 nan 8.280 nan 0.000 0.505 687 K N 0.436 120.884 120.400 0.081 0.000 2.063 687 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 687 K C 2.294 178.850 176.600 -0.073 0.000 1.048 687 K CA 1.908 58.209 56.287 0.024 0.000 0.928 687 K CB -0.233 32.295 32.500 0.048 0.000 0.713 687 K HN 0.276 nan 8.250 nan 0.000 0.442 688 K N -0.051 120.304 120.400 -0.075 0.000 2.262 688 K HA -0.041 4.279 4.320 -0.000 0.000 0.200 688 K C 0.982 177.506 176.600 -0.126 0.000 1.049 688 K CA 0.741 56.978 56.287 -0.082 0.000 0.979 688 K CB 0.385 32.855 32.500 -0.049 0.000 0.773 688 K HN 0.067 nan 8.250 nan 0.000 0.474 689 E N 0.458 120.548 120.200 -0.184 0.000 2.479 689 E HA 0.170 4.520 4.350 -0.000 0.000 0.193 689 E C 0.042 176.458 176.600 -0.306 0.000 1.049 689 E CA 0.220 56.490 56.400 -0.217 0.000 0.870 689 E CB 0.496 30.071 29.700 -0.209 0.000 0.944 689 E HN 0.336 nan 8.360 nan 0.000 0.492 690 I N 0.531 120.875 120.570 -0.378 0.000 2.686 690 I HA 0.176 4.346 4.170 -0.000 0.000 0.295 690 I C 0.213 176.162 176.117 -0.281 0.000 1.114 690 I CA -1.258 59.791 61.300 -0.418 0.000 1.038 690 I CB 2.301 39.832 38.000 -0.782 0.000 1.238 690 I HN -0.276 nan 8.210 nan 0.000 0.420 698 G N -0.501 108.294 108.800 -0.007 0.000 2.992 698 G HA2 0.594 4.554 3.960 -0.000 0.000 0.195 698 G HA3 0.594 4.554 3.960 -0.000 0.000 0.195 698 G C 0.384 175.278 174.900 -0.011 0.000 2.032 698 G CA 1.008 46.102 45.100 -0.009 0.000 0.831 698 G HN 1.791 nan 8.290 nan 0.000 0.647 699 A N 1.053 123.864 122.820 -0.014 0.000 2.893 699 A HA 0.742 5.062 4.320 -0.000 0.000 0.333 699 A C -2.695 174.877 177.584 -0.019 0.000 1.152 699 A CA -0.900 51.127 52.037 -0.017 0.000 0.782 699 A CB 0.997 19.984 19.000 -0.022 0.000 1.108 699 A HN 0.308 nan 8.150 nan 0.000 0.469 700 P HA 0.534 nan 4.420 nan 0.000 0.281 700 P C -0.789 176.502 177.300 -0.016 0.000 1.281 700 P CA -0.684 62.409 63.100 -0.013 0.000 0.811 700 P CB 0.950 32.650 31.700 0.000 0.000 1.154 701 L N 1.293 122.501 121.223 -0.025 0.000 2.313 701 L HA 0.374 4.714 4.340 -0.000 0.000 0.273 701 L C -0.097 176.760 176.870 -0.022 0.000 1.028 701 L CA -0.412 54.409 54.840 -0.032 0.000 0.871 701 L CB -0.234 41.787 42.059 -0.062 0.000 1.242 701 L HN 0.226 nan 8.230 nan 0.000 0.434 702 R N 3.777 124.284 120.500 0.012 0.000 2.539 702 R HA 0.694 5.034 4.340 -0.000 0.000 0.275 702 R C -0.929 175.247 176.300 -0.207 0.000 1.077 702 R CA -0.429 55.682 56.100 0.018 0.000 1.097 702 R CB 0.952 31.374 30.300 0.203 0.000 1.018 702 R HN 0.546 nan 8.270 nan 0.000 0.483 703 L N 0.580 121.508 121.223 -0.493 0.000 3.119 703 L HA 0.343 4.683 4.340 -0.000 0.000 0.283 703 L C -1.518 174.955 176.870 -0.661 0.000 1.028 703 L CA -0.667 53.571 54.840 -1.002 0.000 0.975 703 L CB 1.421 43.249 42.059 -0.385 0.000 1.543 703 L HN 0.968 nan 8.230 nan 0.000 0.390 704 C N -0.437 118.604 119.300 -0.432 0.000 2.401 704 C HA 0.862 5.322 4.460 -0.000 0.000 0.356 704 C C 1.799 176.795 174.990 0.009 0.000 1.192 704 C CA -0.211 58.784 59.018 -0.038 0.000 2.028 704 C CB 0.439 28.274 27.740 0.160 0.000 2.344 704 C HN 1.026 nan 8.230 nan 0.000 0.525 705 A N 1.939 124.802 122.820 0.073 0.000 1.917 705 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 705 A C 2.039 179.628 177.584 0.008 0.000 1.182 705 A CA 2.281 54.339 52.037 0.035 0.000 0.633 705 A CB -0.833 18.183 19.000 0.026 0.000 0.819 705 A HN 1.007 nan 8.150 nan 0.000 0.448 706 N N 0.045 118.754 118.700 0.015 0.000 2.550 706 N HA -0.038 4.702 4.740 -0.000 0.000 0.186 706 N C 0.987 176.497 175.510 0.000 0.000 1.110 706 N CA 0.944 53.992 53.050 -0.004 0.000 0.912 706 N CB -0.248 38.236 38.487 -0.005 0.000 0.968 706 N HN 0.530 nan 8.380 nan 0.000 0.448 707 L N -0.126 121.106 121.223 0.015 0.000 2.808 707 L HA 0.280 4.620 4.340 -0.000 0.000 0.246 707 L C 2.246 179.169 176.870 0.089 0.000 1.153 707 L CA -0.252 54.611 54.840 0.037 0.000 0.956 707 L CB 0.135 42.202 42.059 0.013 0.000 1.270 707 L HN 0.041 nan 8.230 nan 0.000 0.528 708 R N 0.802 121.330 120.500 0.046 0.000 2.127 708 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 708 R C 1.782 178.115 176.300 0.055 0.000 1.134 708 R CA 1.403 57.529 56.100 0.044 0.000 0.975 708 R CB 0.148 30.457 30.300 0.015 0.000 0.865 708 R HN 0.270 nan 8.270 nan 0.000 0.447 709 M N -0.760 118.866 119.600 0.043 0.000 2.509 709 M HA 0.002 4.482 4.480 -0.000 0.000 0.250 709 M C 1.492 177.823 176.300 0.051 0.000 1.132 709 M CA 0.281 55.574 55.300 -0.013 0.000 1.080 709 M CB -0.607 31.954 32.600 -0.065 0.000 1.408 709 M HN 0.058 nan 8.290 nan 0.000 0.484 710 F N 2.769 122.716 119.950 -0.005 0.000 2.043 710 F HA -0.129 4.398 4.527 0.000 0.000 0.297 710 F C -0.766 175.077 175.800 0.072 0.000 1.121 710 F CA 1.919 59.938 58.000 0.031 0.000 1.199 710 F CB -1.789 37.239 39.000 0.048 0.000 0.968 710 F HN 0.103 nan 8.300 nan 0.000 0.478 711 P HA -0.213 nan 4.420 nan 0.000 0.215 711 P C 1.991 179.326 177.300 0.058 0.000 1.157 711 P CA 1.624 64.792 63.100 0.114 0.000 0.874 711 P CB -0.205 31.711 31.700 0.360 0.000 0.790 712 L N -1.328 119.864 121.223 -0.051 0.000 2.131 712 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 712 L C 2.100 178.813 176.870 -0.262 0.000 1.092 712 L CA 1.721 56.321 54.840 -0.399 0.000 0.759 712 L CB -1.157 40.504 42.059 -0.664 0.000 0.903 712 L HN -0.106 nan 8.230 nan 0.000 0.435 713 L N -1.738 119.355 121.223 -0.217 0.000 2.072 713 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 713 L C 2.441 179.187 176.870 -0.207 0.000 1.079 713 L CA 0.744 55.490 54.840 -0.156 0.000 0.752 713 L CB -0.469 41.540 42.059 -0.083 0.000 0.906 713 L HN 0.280 nan 8.230 nan 0.000 0.436 714 M N -0.945 118.438 119.600 -0.362 0.000 2.132 714 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 714 M C 2.324 178.429 176.300 -0.325 0.000 1.065 714 M CA 1.666 56.746 55.300 -0.366 0.000 1.122 714 M CB -1.360 30.923 32.600 -0.528 0.000 1.365 714 M HN 0.253 nan 8.290 nan 0.000 0.411 715 H N 0.699 119.437 119.070 -0.553 0.000 2.267 715 H HA -0.082 4.473 4.556 -0.000 0.000 0.297 715 H C 2.025 177.139 175.328 -0.357 0.000 1.080 715 H CA 2.581 58.184 56.048 -0.742 0.000 1.278 715 H CB -0.221 28.909 29.762 -1.054 0.000 1.365 715 H HN 0.248 nan 8.280 nan 0.000 0.489 716 S N 0.153 115.660 115.700 -0.323 0.000 2.387 716 S HA -0.156 4.314 4.470 -0.000 0.000 0.230 716 S C 2.158 176.672 174.600 -0.143 0.000 1.035 716 S CA 1.151 59.210 58.200 -0.235 0.000 1.014 716 S CB -0.509 62.666 63.200 -0.040 0.000 0.836 716 S HN 0.374 nan 8.310 nan 0.000 0.466 717 L N 2.367 123.519 121.223 -0.119 0.000 2.046 717 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 717 L C 2.590 179.465 176.870 0.009 0.000 1.077 717 L CA 2.393 57.218 54.840 -0.024 0.000 0.747 717 L CB -1.619 40.370 42.059 -0.117 0.000 0.896 717 L HN 0.504 nan 8.230 nan 0.000 0.432 718 T N -3.590 110.881 114.554 -0.137 0.000 2.946 718 T HA -0.211 4.139 4.350 -0.000 0.000 0.271 718 T C 1.618 176.303 174.700 -0.026 0.000 1.104 718 T CA 1.518 63.567 62.100 -0.085 0.000 1.114 718 T CB -0.463 68.315 68.868 -0.149 0.000 0.867 718 T HN 0.450 nan 8.240 nan 0.000 0.513 719 K N -0.066 120.283 120.400 -0.086 0.000 2.374 719 K HA 0.129 4.449 4.320 -0.000 0.000 0.196 719 K C 0.743 177.352 176.600 0.015 0.000 1.023 719 K CA -0.352 55.891 56.287 -0.074 0.000 1.103 719 K CB 0.107 32.498 32.500 -0.182 0.000 0.848 719 K HN 0.513 nan 8.250 nan 0.000 0.528 720 H N 1.574 120.663 119.070 0.033 0.000 2.790 720 H HA -0.000 4.556 4.556 0.000 0.000 0.358 720 H C 1.061 176.416 175.328 0.045 0.000 1.103 720 H CA 0.478 56.564 56.048 0.064 0.000 1.426 720 H CB 1.043 30.892 29.762 0.144 0.000 1.424 720 H HN 0.013 nan 8.280 nan 0.000 0.599 721 M N 3.797 123.291 119.600 -0.177 0.000 2.337 721 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 721 M C 1.552 177.892 176.300 0.066 0.000 1.067 721 M CA 1.973 57.252 55.300 -0.035 0.000 1.074 721 M CB -0.083 32.473 32.600 -0.074 0.000 1.395 721 M HN 0.653 nan 8.290 nan 0.000 0.431 722 A N -0.688 122.267 122.820 0.225 0.000 2.016 722 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 722 A C 1.261 178.499 177.584 -0.578 0.000 1.162 722 A CA 0.988 52.870 52.037 -0.258 0.000 0.662 722 A CB -0.451 18.224 19.000 -0.543 0.000 0.812 722 A HN 0.649 nan 8.150 nan 0.000 0.450 723 F N -1.105 118.906 119.950 0.103 0.000 2.784 723 F HA 0.301 4.828 4.527 0.000 0.000 0.323 723 F C 0.988 176.803 175.800 0.024 0.000 1.085 723 F CA -0.705 57.322 58.000 0.044 0.000 1.196 723 F CB 0.177 39.190 39.000 0.022 0.000 1.053 723 F HN -0.107 nan 8.300 nan 0.000 0.578 724 R N 1.599 122.190 120.500 0.150 0.000 2.651 724 R HA -0.005 4.335 4.340 -0.000 0.000 0.269 724 R C 0.648 176.982 176.300 0.057 0.000 0.979 724 R CA 0.791 56.934 56.100 0.071 0.000 1.096 724 R CB 0.150 30.461 30.300 0.019 0.000 0.927 724 R HN 0.249 nan 8.270 nan 0.000 0.430 725 S N 0.102 115.822 115.700 0.034 0.000 2.687 725 S HA 0.770 5.240 4.470 -0.000 0.000 0.283 725 S C 0.581 175.186 174.600 0.008 0.000 1.170 725 S CA -0.163 58.053 58.200 0.028 0.000 1.008 725 S CB 2.035 65.251 63.200 0.027 0.000 1.026 725 S HN 1.006 nan 8.310 nan 0.000 0.541 726 G N 0.729 109.532 108.800 0.005 0.000 2.466 726 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 726 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 726 G C -0.867 174.024 174.900 -0.015 0.000 1.237 726 G CA -0.314 44.781 45.100 -0.007 0.000 0.954 726 G HN 0.991 nan 8.290 nan 0.000 0.580 727 I N 0.643 121.196 120.570 -0.028 0.000 2.378 727 I HA 0.594 4.764 4.170 -0.000 0.000 0.291 727 I C -0.238 175.844 176.117 -0.058 0.000 0.992 727 I CA -0.905 60.372 61.300 -0.038 0.000 1.154 727 I CB 1.745 39.720 38.000 -0.041 0.000 1.315 727 I HN 0.402 nan 8.210 nan 0.000 0.448 728 V N 7.236 127.119 119.914 -0.052 0.000 2.655 728 V HA 0.281 4.401 4.120 -0.000 0.000 0.301 728 V C -2.286 173.788 176.094 -0.033 0.000 1.082 728 V CA -1.471 60.787 62.300 -0.070 0.000 0.899 728 V CB 2.071 33.866 31.823 -0.047 0.000 1.014 728 V HN 0.612 nan 8.190 nan 0.000 0.429 729 P HA 0.006 nan 4.420 nan 0.000 0.264 729 P C 1.102 178.473 177.300 0.118 0.000 1.173 729 P CA 0.588 63.723 63.100 0.058 0.000 0.761 729 P CB 0.641 32.414 31.700 0.122 0.000 0.794 730 S N 1.887 117.648 115.700 0.100 0.000 2.368 730 S HA -0.232 4.237 4.470 -0.000 0.000 0.226 730 S C 1.470 176.117 174.600 0.079 0.000 1.044 730 S CA 2.008 60.263 58.200 0.092 0.000 1.062 730 S CB -0.626 62.646 63.200 0.119 0.000 0.931 730 S HN 0.474 nan 8.310 nan 0.000 0.440 731 D N -0.124 120.335 120.400 0.098 0.000 2.097 731 D HA -0.081 4.559 4.640 -0.000 0.000 0.195 731 D C 1.817 178.049 176.300 -0.113 0.000 0.989 731 D CA 1.441 55.342 54.000 -0.165 0.000 0.827 731 D CB -0.715 39.915 40.800 -0.284 0.000 0.966 731 D HN 0.580 nan 8.370 nan 0.000 0.456 732 H N 0.209 119.346 119.070 0.112 0.000 2.319 732 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 732 H C 2.171 177.522 175.328 0.038 0.000 1.092 732 H CA 1.786 57.922 56.048 0.147 0.000 1.302 732 H CB -0.015 29.791 29.762 0.074 0.000 1.373 732 H HN -0.012 nan 8.280 nan 0.000 0.497 733 R N 0.480 121.055 120.500 0.124 0.000 2.082 733 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 733 R C 2.447 178.720 176.300 -0.044 0.000 1.136 733 R CA 1.580 57.691 56.100 0.019 0.000 0.935 733 R CB -0.525 29.771 30.300 -0.007 0.000 0.842 733 R HN 0.345 nan 8.270 nan 0.000 0.430 734 A N -0.215 122.562 122.820 -0.072 0.000 1.917 734 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 734 A C 2.262 179.770 177.584 -0.126 0.000 1.182 734 A CA 2.193 54.159 52.037 -0.119 0.000 0.633 734 A CB -1.096 17.808 19.000 -0.160 0.000 0.819 734 A HN 0.528 nan 8.150 nan 0.000 0.448 735 S N -0.644 114.983 115.700 -0.122 0.000 2.353 735 S HA -0.074 4.396 4.470 -0.000 0.000 0.222 735 S C 2.228 176.822 174.600 -0.009 0.000 1.035 735 S CA 1.728 59.888 58.200 -0.067 0.000 1.025 735 S CB -0.547 62.692 63.200 0.066 0.000 0.902 735 S HN 0.896 nan 8.310 nan 0.000 0.440 736 A N 1.269 124.110 122.820 0.035 0.000 1.908 736 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 736 A C 2.238 179.800 177.584 -0.037 0.000 1.181 736 A CA 1.542 53.627 52.037 0.080 0.000 0.627 736 A CB -0.826 18.269 19.000 0.158 0.000 0.818 736 A HN 0.580 nan 8.150 nan 0.000 0.445 737 L N -0.649 120.504 121.223 -0.117 0.000 2.056 737 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 737 L C 2.533 179.350 176.870 -0.088 0.000 1.078 737 L CA 1.666 56.405 54.840 -0.168 0.000 0.749 737 L CB -0.550 41.400 42.059 -0.183 0.000 0.901 737 L HN 0.558 nan 8.230 nan 0.000 0.433 738 N N 0.271 118.926 118.700 -0.074 0.000 2.166 738 N HA -0.232 4.508 4.740 -0.000 0.000 0.186 738 N C 1.628 177.112 175.510 -0.043 0.000 1.019 738 N CA 1.530 54.556 53.050 -0.040 0.000 0.856 738 N CB -0.064 38.377 38.487 -0.077 0.000 0.993 738 N HN 0.167 nan 8.380 nan 0.000 0.426 739 N N -0.018 118.649 118.700 -0.055 0.000 2.109 739 N HA 0.022 4.762 4.740 -0.000 0.000 0.188 739 N C 1.598 177.073 175.510 -0.058 0.000 1.034 739 N CA 0.967 53.983 53.050 -0.055 0.000 0.846 739 N CB -0.288 38.197 38.487 -0.002 0.000 1.010 739 N HN 0.245 nan 8.380 nan 0.000 0.425 740 L N 0.629 121.816 121.223 -0.061 0.000 2.127 740 L HA -0.175 4.164 4.340 -0.000 0.000 0.211 740 L C 2.109 178.954 176.870 -0.042 0.000 1.089 740 L CA 1.577 56.375 54.840 -0.070 0.000 0.757 740 L CB -0.599 41.387 42.059 -0.123 0.000 0.899 740 L HN 0.518 nan 8.230 nan 0.000 0.434 741 E N -0.373 119.805 120.200 -0.037 0.000 2.435 741 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 741 E C 1.589 178.139 176.600 -0.082 0.000 1.029 741 E CA 1.116 57.508 56.400 -0.014 0.000 0.865 741 E CB 0.125 29.851 29.700 0.043 0.000 0.833 741 E HN 0.448 nan 8.360 nan 0.000 0.510 742 S N -0.385 115.205 115.700 -0.182 0.000 2.632 742 S HA 0.204 4.674 4.470 -0.000 0.000 0.237 742 S C 0.359 174.820 174.600 -0.232 0.000 1.037 742 S CA -0.652 57.356 58.200 -0.320 0.000 1.009 742 S CB 0.126 62.928 63.200 -0.664 0.000 0.974 742 S HN 0.073 nan 8.310 nan 0.000 0.544 743 L N 3.522 124.666 121.223 -0.131 0.000 2.485 743 L HA 0.405 4.745 4.340 -0.000 0.000 0.275 743 L C -2.548 174.300 176.870 -0.037 0.000 1.207 743 L CA -1.541 53.261 54.840 -0.065 0.000 0.855 743 L CB -0.281 41.777 42.059 -0.001 0.000 1.114 743 L HN 0.021 nan 8.230 nan 0.000 0.485 744 P HA 0.036 nan 4.420 nan 0.000 0.271 744 P C 0.593 177.938 177.300 0.075 0.000 1.216 744 P CA -0.419 62.710 63.100 0.049 0.000 0.776 744 P CB 0.648 32.436 31.700 0.146 0.000 0.881 745 L N 5.021 126.256 121.223 0.021 0.000 2.030 745 L HA -0.291 4.048 4.340 -0.000 0.000 0.222 745 L C 2.215 179.080 176.870 -0.008 0.000 1.082 745 L CA 2.143 56.990 54.840 0.011 0.000 0.785 745 L CB -0.900 41.159 42.059 -0.001 0.000 0.895 745 L HN 0.385 nan 8.230 nan 0.000 0.439 746 K N -1.712 118.653 120.400 -0.058 0.000 2.044 746 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 746 K C 2.111 178.552 176.600 -0.266 0.000 1.049 746 K CA 2.450 58.616 56.287 -0.201 0.000 0.927 746 K CB -0.501 31.790 32.500 -0.347 0.000 0.713 746 K HN 0.502 nan 8.250 nan 0.000 0.443 747 Y N 0.298 120.582 120.300 -0.026 0.000 2.457 747 Y HA -0.094 4.455 4.550 -0.000 0.000 0.292 747 Y C 1.943 177.842 175.900 -0.001 0.000 1.125 747 Y CA 0.263 58.348 58.100 -0.026 0.000 1.254 747 Y CB -0.053 38.372 38.460 -0.059 0.000 1.012 747 Y HN 0.137 nan 8.280 nan 0.000 0.555 748 L N 0.110 121.401 121.223 0.113 0.000 2.005 748 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 748 L C 1.995 178.906 176.870 0.068 0.000 1.072 748 L CA 1.651 56.535 54.840 0.074 0.000 0.744 748 L CB -0.887 41.198 42.059 0.043 0.000 0.895 748 L HN 0.097 nan 8.230 nan 0.000 0.433 749 I N 0.138 120.735 120.570 0.045 0.000 2.264 749 I HA -0.310 3.860 4.170 -0.000 0.000 0.248 749 I C 2.516 178.683 176.117 0.084 0.000 1.111 749 I CA 1.511 62.842 61.300 0.052 0.000 1.382 749 I CB -1.302 36.710 38.000 0.020 0.000 1.060 749 I HN 0.458 nan 8.210 nan 0.000 0.418 750 K N 0.636 121.074 120.400 0.064 0.000 2.217 750 K HA -0.132 4.188 4.320 -0.000 0.000 0.202 750 K C 1.943 178.612 176.600 0.114 0.000 1.051 750 K CA 0.694 57.032 56.287 0.085 0.000 0.952 750 K CB 0.024 32.554 32.500 0.050 0.000 0.736 750 K HN 0.229 nan 8.250 nan 0.000 0.453 751 N N 0.793 119.576 118.700 0.139 0.000 2.270 751 N HA -0.079 4.661 4.740 -0.000 0.000 0.181 751 N C 1.672 177.327 175.510 0.242 0.000 1.016 751 N CA 0.889 54.054 53.050 0.192 0.000 0.870 751 N CB 0.136 38.748 38.487 0.209 0.000 0.979 751 N HN 0.226 nan 8.380 nan 0.000 0.431 752 I N -1.091 119.595 120.570 0.193 0.000 2.296 752 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 752 I C 0.317 176.517 176.117 0.139 0.000 1.087 752 I CA 0.591 62.012 61.300 0.202 0.000 1.393 752 I CB 0.013 38.087 38.000 0.124 0.000 1.093 752 I HN -0.000 nan 8.210 nan 0.000 0.421 753 Y N 3.665 123.970 120.300 0.009 0.000 2.328 753 Y HA 0.408 4.958 4.550 0.000 0.000 0.336 753 Y C -2.572 173.314 175.900 -0.023 0.000 0.960 753 Y CA -2.819 55.259 58.100 -0.036 0.000 1.134 753 Y CB 1.459 39.877 38.460 -0.069 0.000 1.166 753 Y HN -0.168 nan 8.280 nan 0.000 0.464 754 P HA 0.136 nan 4.420 nan 0.000 0.281 754 P C -1.164 176.061 177.300 -0.125 0.000 1.249 754 P CA -0.324 62.685 63.100 -0.151 0.000 0.810 754 P CB 1.646 33.238 31.700 -0.180 0.000 1.008 755 D N 0.985 121.343 120.400 -0.070 0.000 2.277 755 D HA 0.278 4.918 4.640 -0.000 0.000 0.249 755 D C -0.221 175.882 176.300 -0.327 0.000 1.134 755 D CA -0.017 53.860 54.000 -0.205 0.000 0.863 755 D CB 1.122 41.804 40.800 -0.196 0.000 1.143 755 D HN 0.033 nan 8.370 nan 0.000 0.458 756 V N 3.520 123.205 119.914 -0.382 0.000 2.495 756 V HA 0.351 4.471 4.120 -0.000 0.000 0.298 756 V C -0.806 175.087 176.094 -0.336 0.000 1.031 756 V CA -0.790 61.384 62.300 -0.211 0.000 0.871 756 V CB 1.064 32.875 31.823 -0.020 0.000 0.988 756 V HN 0.367 nan 8.190 nan 0.000 0.432 757 Y N 1.545 121.913 120.300 0.114 0.000 2.376 757 Y HA 0.467 5.017 4.550 -0.000 0.000 0.340 757 Y C 0.566 176.495 175.900 0.048 0.000 0.965 757 Y CA -0.520 57.623 58.100 0.072 0.000 1.078 757 Y CB 2.188 40.672 38.460 0.040 0.000 1.193 757 Y HN 0.522 nan 8.280 nan 0.000 0.452 758 S N 4.373 120.159 115.700 0.142 0.000 2.473 758 S HA 0.303 4.773 4.470 -0.000 0.000 0.312 758 S C 0.865 175.393 174.600 -0.120 0.000 1.087 758 S CA -0.471 57.672 58.200 -0.094 0.000 1.077 758 S CB -0.179 62.993 63.200 -0.047 0.000 1.065 758 S HN 0.765 nan 8.310 nan 0.000 0.510 759 L N 4.390 125.555 121.223 -0.097 0.000 2.209 759 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 759 L C 2.553 179.500 176.870 0.128 0.000 1.094 759 L CA 0.630 55.484 54.840 0.023 0.000 0.790 759 L CB -0.748 41.342 42.059 0.052 0.000 0.932 759 L HN 0.761 nan 8.230 nan 0.000 0.447 760 H N 0.314 119.364 119.070 -0.033 0.000 2.423 760 H HA -0.115 4.441 4.556 0.000 0.000 0.297 760 H C 0.510 175.833 175.328 -0.008 0.000 1.075 760 H CA 1.377 57.422 56.048 -0.005 0.000 1.342 760 H CB -0.478 29.250 29.762 -0.056 0.000 1.395 760 H HN 0.477 nan 8.280 nan 0.000 0.530 761 D N -0.067 119.984 120.400 -0.582 0.000 2.643 761 D HA 0.129 4.769 4.640 -0.000 0.000 0.244 761 D C 0.432 176.634 176.300 -0.164 0.000 1.257 761 D CA -0.551 53.247 54.000 -0.337 0.000 0.831 761 D CB -0.577 39.969 40.800 -0.422 0.000 1.043 761 D HN 0.235 nan 8.370 nan 0.000 0.488 762 M N 1.194 120.749 119.600 -0.075 0.000 2.249 762 M HA 0.308 4.788 4.480 -0.000 0.000 0.340 762 M C 0.229 176.534 176.300 0.008 0.000 1.166 762 M CA -0.218 55.077 55.300 -0.007 0.000 1.115 762 M CB 0.876 33.512 32.600 0.060 0.000 1.606 762 M HN 0.206 nan 8.290 nan 0.000 0.448 763 A N 3.825 126.648 122.820 0.005 0.000 2.406 763 A HA 0.074 4.394 4.320 -0.000 0.000 0.243 763 A C 0.319 177.912 177.584 0.015 0.000 1.082 763 A CA -0.170 51.872 52.037 0.008 0.000 0.786 763 A CB 0.023 19.028 19.000 0.008 0.000 1.029 763 A HN 0.954 nan 8.150 nan 0.000 0.495 764 D N 0.365 120.774 120.400 0.015 0.000 2.219 764 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 764 D C 1.354 177.659 176.300 0.008 0.000 0.970 764 D CA 1.651 55.662 54.000 0.018 0.000 0.851 764 D CB 0.056 40.865 40.800 0.015 0.000 0.943 764 D HN 0.689 nan 8.370 nan 0.000 0.488 765 E N 1.110 121.311 120.200 0.001 0.000 2.028 765 E HA 0.057 4.407 4.350 -0.000 0.000 0.191 765 E C 0.866 177.455 176.600 -0.019 0.000 0.988 765 E CA 0.736 57.132 56.400 -0.007 0.000 0.799 765 E CB -0.448 29.249 29.700 -0.005 0.000 0.755 765 E HN 0.251 nan 8.360 nan 0.000 0.447 766 A N 0.106 122.913 122.820 -0.020 0.000 2.587 766 A HA 0.317 4.637 4.320 -0.000 0.000 0.235 766 A C 1.433 178.978 177.584 -0.066 0.000 1.044 766 A CA 1.063 53.074 52.037 -0.044 0.000 0.754 766 A CB -0.661 18.317 19.000 -0.037 0.000 0.968 766 A HN 0.566 nan 8.150 nan 0.000 0.509 767 G N 0.622 109.361 108.800 -0.100 0.000 2.176 767 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.253 767 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.253 767 G C -0.040 174.802 174.900 -0.097 0.000 0.979 767 G CA 0.452 45.476 45.100 -0.126 0.000 0.641 767 G HN 0.985 nan 8.290 nan 0.000 0.530 768 L N 0.048 121.230 121.223 -0.069 0.000 2.333 768 L HA 0.582 4.922 4.340 -0.000 0.000 0.263 768 L C -2.227 174.615 176.870 -0.046 0.000 1.014 768 L CA -2.681 52.127 54.840 -0.053 0.000 0.820 768 L CB 2.067 44.104 42.059 -0.036 0.000 1.352 768 L HN -0.185 nan 8.230 nan 0.000 0.421 769 P HA 0.038 nan 4.420 nan 0.000 0.269 769 P C -0.465 176.820 177.300 -0.025 0.000 1.217 769 P CA -0.239 62.841 63.100 -0.033 0.000 0.783 769 P CB 0.533 32.215 31.700 -0.029 0.000 0.898 780 T N 0.349 114.888 114.554 -0.025 0.000 2.832 780 T HA 0.693 5.043 4.350 -0.000 0.000 0.296 780 T C 0.244 174.922 174.700 -0.036 0.000 0.968 780 T CA -0.399 61.684 62.100 -0.029 0.000 1.107 780 T CB 1.898 70.755 68.868 -0.018 0.000 0.916 780 T HN 0.010 nan 8.240 nan 0.000 0.517 781 I N 2.973 123.512 120.570 -0.051 0.000 2.662 781 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 781 I C 0.361 176.442 176.117 -0.060 0.000 1.046 781 I CA -0.589 60.674 61.300 -0.062 0.000 1.361 781 I CB 1.267 39.215 38.000 -0.087 0.000 1.429 781 I HN 0.474 nan 8.210 nan 0.000 0.558 782 V N 6.120 125.998 119.914 -0.059 0.000 2.509 782 V HA 0.355 4.475 4.120 -0.000 0.000 0.284 782 V C 0.132 176.177 176.094 -0.080 0.000 1.047 782 V CA -0.599 61.671 62.300 -0.050 0.000 0.952 782 V CB 1.073 32.876 31.823 -0.034 0.000 0.988 782 V HN 0.399 nan 8.190 nan 0.000 0.469 783 L N 5.977 127.156 121.223 -0.073 0.000 2.331 783 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 783 L C -2.226 174.624 176.870 -0.034 0.000 1.022 783 L CA -1.832 52.924 54.840 -0.139 0.000 0.812 783 L CB 1.596 43.550 42.059 -0.175 0.000 1.257 783 L HN 0.445 nan 8.230 nan 0.000 0.435 784 P HA 0.044 nan 4.420 nan 0.000 0.271 784 P C -1.133 176.302 177.300 0.226 0.000 1.244 784 P CA -0.523 62.636 63.100 0.098 0.000 0.793 784 P CB 0.414 32.185 31.700 0.118 0.000 0.984 785 Q N 1.095 120.990 119.800 0.158 0.000 2.288 785 Q HA 0.232 4.572 4.340 -0.000 0.000 0.254 785 Q C -2.185 173.893 176.000 0.130 0.000 0.932 785 Q CA -1.771 54.114 55.803 0.136 0.000 0.902 785 Q CB 0.031 28.814 28.738 0.074 0.000 1.203 785 Q HN 0.252 nan 8.270 nan 0.000 0.415 786 P HA 0.045 nan 4.420 nan 0.000 0.268 786 P C -0.803 176.484 177.300 -0.022 0.000 1.205 786 P CA 0.146 63.176 63.100 -0.117 0.000 0.771 786 P CB 0.378 31.968 31.700 -0.183 0.000 0.858 787 I N -1.093 119.468 120.570 -0.014 0.000 2.793 787 I HA 0.480 4.650 4.170 -0.000 0.000 0.313 787 I C -0.080 176.078 176.117 0.067 0.000 0.998 787 I CA -1.188 60.141 61.300 0.048 0.000 1.140 787 I CB 1.210 39.263 38.000 0.089 0.000 1.327 787 I HN 0.090 nan 8.210 nan 0.000 0.491 788 N N 1.845 120.601 118.700 0.093 0.000 2.441 788 N HA 0.284 5.024 4.740 -0.000 0.000 0.251 788 N C -0.044 175.519 175.510 0.087 0.000 1.242 788 N CA 0.079 53.214 53.050 0.142 0.000 0.898 788 N CB 0.742 39.304 38.487 0.125 0.000 1.100 788 N HN 0.789 nan 8.380 nan 0.000 0.443 789 A N 1.458 124.301 122.820 0.040 0.000 3.048 789 A HA 0.239 4.559 4.320 -0.000 0.000 0.264 789 A C 0.266 177.750 177.584 -0.165 0.000 1.796 789 A CA 0.092 52.013 52.037 -0.193 0.000 1.445 789 A CB -0.725 17.899 19.000 -0.626 0.000 1.074 789 A HN 0.497 nan 8.150 nan 0.000 0.621 790 T N -0.795 113.687 114.554 -0.120 0.000 2.933 790 T HA 0.357 4.707 4.350 -0.000 0.000 0.305 790 T C 1.195 175.711 174.700 -0.306 0.000 1.092 790 T CA 0.182 62.175 62.100 -0.178 0.000 1.008 790 T CB 1.252 70.085 68.868 -0.058 0.000 1.102 790 T HN 0.756 nan 8.240 nan 0.000 0.469 791 S N 2.367 117.786 115.700 -0.468 0.000 2.507 791 S HA -0.048 4.422 4.470 -0.000 0.000 0.235 791 S C 1.891 176.325 174.600 -0.277 0.000 0.988 791 S CA 1.197 59.012 58.200 -0.642 0.000 0.944 791 S CB -0.451 62.400 63.200 -0.581 0.000 0.762 791 S HN 0.646 nan 8.310 nan 0.000 0.526 792 S N 2.198 117.812 115.700 -0.143 0.000 2.419 792 S HA 0.095 4.565 4.470 -0.000 0.000 0.233 792 S C 1.499 176.096 174.600 -0.005 0.000 1.016 792 S CA 1.160 59.329 58.200 -0.052 0.000 0.974 792 S CB -0.485 62.705 63.200 -0.017 0.000 0.786 792 S HN 0.571 nan 8.310 nan 0.000 0.492 793 L N -0.570 120.665 121.223 0.020 0.000 2.585 793 L HA 0.288 4.628 4.340 -0.000 0.000 0.226 793 L C -0.291 176.556 176.870 -0.038 0.000 1.113 793 L CA -0.082 54.788 54.840 0.050 0.000 0.876 793 L CB -0.176 41.931 42.059 0.080 0.000 1.072 793 L HN 0.159 nan 8.230 nan 0.000 0.468 794 F N 2.213 121.834 119.950 -0.548 0.000 2.541 794 F HA 0.106 4.633 4.527 -0.000 0.000 0.347 794 F C 1.148 176.783 175.800 -0.274 0.000 1.242 794 F CA -0.685 56.795 58.000 -0.865 0.000 1.123 794 F CB -0.452 37.811 39.000 -1.228 0.000 1.354 794 F HN -0.026 nan 8.300 nan 0.000 0.621 795 E N 2.846 123.061 120.200 0.025 0.000 2.415 795 E HA 0.036 4.385 4.350 -0.000 0.000 0.262 795 E C 1.211 177.768 176.600 -0.072 0.000 1.038 795 E CA -0.063 56.210 56.400 -0.211 0.000 0.921 795 E CB 0.582 29.750 29.700 -0.885 0.000 0.950 795 E HN 0.571 nan 8.360 nan 0.000 0.438 796 R N 1.322 121.820 120.500 -0.005 0.000 2.280 796 R HA -0.133 4.207 4.340 -0.000 0.000 0.207 796 R C 1.141 177.509 176.300 0.113 0.000 1.043 796 R CA 0.936 57.146 56.100 0.183 0.000 1.006 796 R CB -0.144 30.278 30.300 0.203 0.000 0.885 796 R HN 0.540 nan 8.270 nan 0.000 0.467 797 Y N -2.484 117.868 120.300 0.088 0.000 2.555 797 Y HA 0.489 5.039 4.550 -0.000 0.000 0.259 797 Y C 0.692 176.475 175.900 -0.195 0.000 1.179 797 Y CA -0.927 57.158 58.100 -0.025 0.000 1.230 797 Y CB -0.105 38.347 38.460 -0.014 0.000 1.146 797 Y HN -0.186 nan 8.280 nan 0.000 0.526 798 G N 1.012 109.503 108.800 -0.514 0.000 2.511 798 G HA2 0.515 4.475 3.960 -0.000 0.000 0.316 798 G HA3 0.515 4.475 3.960 -0.000 0.000 0.316 798 G C -1.827 172.853 174.900 -0.367 0.000 1.210 798 G CA -0.795 43.691 45.100 -1.023 0.000 0.969 798 G HN 0.186 nan 8.290 nan 0.000 0.492 799 L N -0.013 120.940 121.223 -0.451 0.000 2.349 799 L HA 0.705 5.045 4.340 -0.000 0.000 0.278 799 L C -1.682 174.971 176.870 -0.360 0.000 0.996 799 L CA -1.074 53.709 54.840 -0.095 0.000 0.825 799 L CB 1.215 43.327 42.059 0.089 0.000 1.243 799 L HN 0.484 nan 8.230 nan 0.000 0.412 800 Y N 4.728 125.131 120.300 0.173 0.000 2.499 800 Y HA 0.711 5.260 4.550 -0.000 0.000 0.347 800 Y C -0.863 175.147 175.900 0.184 0.000 0.987 800 Y CA -0.916 57.201 58.100 0.028 0.000 1.044 800 Y CB 2.123 40.272 38.460 -0.518 0.000 1.245 800 Y HN 0.520 nan 8.280 nan 0.000 0.461 801 L N 4.084 125.499 121.223 0.319 0.000 2.376 801 L HA 0.677 5.017 4.340 -0.000 0.000 0.275 801 L C -1.496 175.585 176.870 0.352 0.000 0.987 801 L CA -0.532 54.501 54.840 0.322 0.000 0.828 801 L CB 0.909 43.116 42.059 0.247 0.000 1.249 801 L HN 0.541 nan 8.230 nan 0.000 0.409 802 I N 3.822 124.593 120.570 0.337 0.000 2.404 802 I HA 0.406 4.576 4.170 -0.000 0.000 0.293 802 I C -1.016 175.256 176.117 0.259 0.000 0.992 802 I CA -0.533 60.927 61.300 0.267 0.000 1.149 802 I CB 1.834 39.980 38.000 0.244 0.000 1.315 802 I HN 0.563 nan 8.210 nan 0.000 0.446 803 D N 5.062 125.576 120.400 0.189 0.000 2.469 803 D HA 0.187 4.827 4.640 -0.000 0.000 0.251 803 D C 0.017 176.389 176.300 0.121 0.000 1.173 803 D CA -0.587 53.518 54.000 0.174 0.000 0.882 803 D CB 0.815 41.760 40.800 0.242 0.000 1.129 803 D HN 0.514 nan 8.370 nan 0.000 0.549 804 N N 3.071 121.844 118.700 0.121 0.000 2.214 804 N HA 0.204 4.944 4.740 -0.000 0.000 0.214 804 N C 1.373 176.958 175.510 0.126 0.000 1.132 804 N CA 0.226 53.337 53.050 0.100 0.000 0.856 804 N CB 0.606 39.152 38.487 0.097 0.000 1.020 804 N HN 0.591 nan 8.380 nan 0.000 0.509 805 G N 0.301 109.180 108.800 0.131 0.000 2.253 805 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.251 805 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.251 805 G C 0.910 175.877 174.900 0.112 0.000 0.998 805 G CA 0.476 45.661 45.100 0.142 0.000 0.621 805 G HN 0.468 nan 8.290 nan 0.000 0.524 806 N N 0.364 119.135 118.700 0.118 0.000 2.564 806 N HA 0.227 4.967 4.740 -0.000 0.000 0.202 806 N C 0.691 176.260 175.510 0.098 0.000 1.052 806 N CA 1.358 54.483 53.050 0.125 0.000 0.872 806 N CB 0.466 39.058 38.487 0.176 0.000 1.303 806 N HN 0.575 nan 8.380 nan 0.000 0.440 807 E N -0.294 119.927 120.200 0.035 0.000 2.446 807 E HA 0.589 4.939 4.350 -0.000 0.000 0.267 807 E C -1.085 175.425 176.600 -0.151 0.000 0.955 807 E CA -0.570 55.776 56.400 -0.091 0.000 0.842 807 E CB 1.939 31.449 29.700 -0.316 0.000 1.504 807 E HN -0.098 nan 8.360 nan 0.000 0.438 808 L N 1.230 122.296 121.223 -0.262 0.000 2.409 808 L HA 0.558 4.898 4.340 -0.000 0.000 0.272 808 L C -1.334 175.398 176.870 -0.230 0.000 0.980 808 L CA -0.574 54.191 54.840 -0.127 0.000 0.826 808 L CB 1.033 43.053 42.059 -0.065 0.000 1.268 808 L HN 0.391 nan 8.230 nan 0.000 0.407 809 F N 3.663 123.663 119.950 0.083 0.000 2.449 809 F HA 0.424 4.951 4.527 -0.000 0.000 0.342 809 F C -0.183 175.736 175.800 0.198 0.000 1.127 809 F CA -0.613 57.462 58.000 0.125 0.000 0.975 809 F CB 1.850 40.878 39.000 0.046 0.000 1.146 809 F HN 0.202 nan 8.300 nan 0.000 0.444 810 L N 4.950 126.392 121.223 0.365 0.000 2.264 810 L HA 0.357 4.697 4.340 -0.000 0.000 0.287 810 L C -1.389 175.725 176.870 0.406 0.000 1.039 810 L CA -0.535 54.503 54.840 0.329 0.000 0.829 810 L CB 0.261 42.457 42.059 0.229 0.000 1.211 810 L HN 0.678 nan 8.230 nan 0.000 0.427 811 W N 7.504 128.971 121.300 0.278 0.000 2.291 811 W HA 0.513 5.173 4.660 0.001 0.000 0.312 811 W C -0.605 176.061 176.519 0.244 0.000 1.061 811 W CA -0.804 56.710 57.345 0.283 0.000 1.296 811 W CB 1.177 30.877 29.460 0.401 0.000 1.223 811 W HN 0.504 nan 8.180 nan 0.000 0.421 812 M N 6.600 126.037 119.600 -0.272 0.000 2.149 812 M HA 0.488 4.968 4.480 -0.000 0.000 0.342 812 M C 0.643 176.475 176.300 -0.780 0.000 1.068 812 M CA -0.344 54.788 55.300 -0.280 0.000 0.991 812 M CB 0.815 33.365 32.600 -0.083 0.000 1.596 812 M HN 0.563 nan 8.290 nan 0.000 0.439 813 G N 2.856 111.308 108.800 -0.580 0.000 2.305 813 G HA2 0.224 4.184 3.960 -0.000 0.000 0.243 813 G HA3 0.224 4.184 3.960 -0.000 0.000 0.243 813 G C 0.857 175.562 174.900 -0.325 0.000 1.288 813 G CA -0.011 44.782 45.100 -0.511 0.000 0.901 813 G HN 1.121 nan 8.290 nan 0.000 0.516 814 G N 1.144 109.768 108.800 -0.293 0.000 2.537 814 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.220 814 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.220 814 G C 0.750 175.580 174.900 -0.116 0.000 1.111 814 G CA 0.755 45.718 45.100 -0.228 0.000 0.748 814 G HN 0.570 nan 8.290 nan 0.000 0.564 815 D N 0.271 120.662 120.400 -0.016 0.000 2.559 815 D HA 0.374 5.013 4.640 -0.000 0.000 0.234 815 D C 0.905 177.259 176.300 0.090 0.000 1.226 815 D CA -0.174 53.865 54.000 0.064 0.000 0.830 815 D CB 0.584 41.471 40.800 0.144 0.000 1.028 815 D HN 0.253 nan 8.370 nan 0.000 0.492 816 A N 0.602 123.438 122.820 0.027 0.000 2.488 816 A HA 0.254 4.573 4.320 -0.000 0.000 0.249 816 A C 0.764 178.381 177.584 0.055 0.000 1.083 816 A CA -0.251 51.818 52.037 0.053 0.000 0.768 816 A CB 0.479 19.487 19.000 0.013 0.000 1.017 816 A HN 0.053 nan 8.150 nan 0.000 0.496 817 V N 5.388 125.340 119.914 0.063 0.000 2.694 817 V HA 0.004 4.124 4.120 -0.000 0.000 0.306 817 V C -1.153 174.973 176.094 0.054 0.000 1.054 817 V CA -0.268 62.057 62.300 0.041 0.000 1.161 817 V CB 0.783 32.617 31.823 0.019 0.000 0.916 817 V HN 0.859 nan 8.190 nan 0.000 0.490 818 P HA -0.234 nan 4.420 nan 0.000 0.217 818 P C 1.458 178.827 177.300 0.115 0.000 1.148 818 P CA 1.883 65.026 63.100 0.072 0.000 0.834 818 P CB 0.151 31.871 31.700 0.033 0.000 0.783 819 A N -0.986 121.884 122.820 0.083 0.000 1.902 819 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 819 A C 2.110 179.775 177.584 0.135 0.000 1.181 819 A CA 1.530 53.640 52.037 0.122 0.000 0.623 819 A CB -1.541 17.487 19.000 0.047 0.000 0.818 819 A HN 0.181 nan 8.150 nan 0.000 0.443 820 L N -0.016 121.246 121.223 0.064 0.000 2.044 820 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 820 L C 2.323 179.277 176.870 0.140 0.000 1.075 820 L CA 1.869 56.726 54.840 0.029 0.000 0.747 820 L CB -0.537 41.531 42.059 0.015 0.000 0.903 820 L HN 0.143 nan 8.230 nan 0.000 0.435 821 V N -0.322 119.697 119.914 0.176 0.000 2.469 821 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 821 V C 2.299 178.586 176.094 0.322 0.000 1.064 821 V CA 1.936 64.389 62.300 0.254 0.000 1.066 821 V CB -1.108 30.821 31.823 0.177 0.000 0.667 821 V HN 0.503 nan 8.190 nan 0.000 0.461 822 F N 1.658 121.675 119.950 0.110 0.000 2.074 822 F HA -0.086 4.441 4.527 -0.000 0.000 0.293 822 F C 2.269 178.123 175.800 0.090 0.000 1.116 822 F CA 1.731 59.788 58.000 0.095 0.000 1.212 822 F CB -0.634 38.399 39.000 0.055 0.000 0.998 822 F HN 0.173 nan 8.300 nan 0.000 0.471 823 D N 0.181 120.547 120.400 -0.056 0.000 2.172 823 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 823 D C 2.417 178.676 176.300 -0.068 0.000 0.999 823 D CA 1.830 55.767 54.000 -0.104 0.000 0.856 823 D CB -0.306 40.553 40.800 0.098 0.000 0.934 823 D HN 0.279 nan 8.370 nan 0.000 0.453 824 V N -0.551 119.340 119.914 -0.038 0.000 2.426 824 V HA -0.088 4.032 4.120 -0.000 0.000 0.242 824 V C 1.624 177.364 176.094 -0.589 0.000 1.036 824 V CA 1.143 63.246 62.300 -0.327 0.000 1.044 824 V CB -0.295 31.280 31.823 -0.414 0.000 0.688 824 V HN 0.052 nan 8.190 nan 0.000 0.462 825 F N -0.243 119.699 119.950 -0.014 0.000 2.682 825 F HA 0.576 5.103 4.527 -0.000 0.000 0.308 825 F C 1.773 177.564 175.800 -0.014 0.000 1.093 825 F CA 0.689 58.682 58.000 -0.012 0.000 1.244 825 F CB 0.683 39.692 39.000 0.014 0.000 1.052 825 F HN 0.230 nan 8.300 nan 0.000 0.573 826 G N 0.038 108.876 108.800 0.063 0.000 2.358 826 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.224 826 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.224 826 G C 0.603 175.741 174.900 0.398 0.000 1.073 826 G CA 0.245 45.382 45.100 0.063 0.000 0.635 826 G HN 0.246 nan 8.290 nan 0.000 0.509 827 T N 0.434 115.192 114.554 0.340 0.000 2.862 827 T HA 0.578 4.928 4.350 -0.000 0.000 0.276 827 T C 1.066 175.958 174.700 0.319 0.000 0.974 827 T CA 0.286 62.564 62.100 0.296 0.000 0.966 827 T CB 1.624 70.597 68.868 0.174 0.000 1.072 827 T HN 0.252 nan 8.240 nan 0.000 0.538 828 Q N -0.218 119.692 119.800 0.183 0.000 2.246 828 Q HA 0.109 4.449 4.340 -0.000 0.000 0.222 828 Q C -0.169 175.896 176.000 0.107 0.000 0.851 828 Q CA -0.013 55.867 55.803 0.128 0.000 0.945 828 Q CB 0.667 29.417 28.738 0.020 0.000 1.122 828 Q HN 0.536 nan 8.270 nan 0.000 0.508 829 D N 1.105 121.571 120.400 0.111 0.000 2.313 829 D HA 0.064 4.704 4.640 -0.000 0.000 0.239 829 D C 0.456 176.806 176.300 0.084 0.000 1.142 829 D CA -0.094 53.984 54.000 0.130 0.000 0.847 829 D CB 1.132 42.012 40.800 0.133 0.000 1.082 829 D HN 0.177 nan 8.370 nan 0.000 0.480 830 I N 3.290 123.876 120.570 0.027 0.000 2.830 830 I HA -0.142 4.028 4.170 -0.000 0.000 0.263 830 I C 0.729 176.637 176.117 -0.349 0.000 1.230 830 I CA 0.508 61.684 61.300 -0.207 0.000 1.480 830 I CB 0.064 37.856 38.000 -0.346 0.000 1.095 830 I HN 0.279 nan 8.210 nan 0.000 0.455 831 F N -0.322 119.593 119.950 -0.059 0.000 2.765 831 F HA 0.060 4.587 4.527 0.000 0.000 0.302 831 F C 1.802 177.562 175.800 -0.068 0.000 1.111 831 F CA 0.202 58.164 58.000 -0.062 0.000 1.359 831 F CB -0.222 38.756 39.000 -0.037 0.000 1.097 831 F HN 0.061 nan 8.300 nan 0.000 0.577 832 D N 0.898 121.338 120.400 0.066 0.000 2.369 832 D HA 0.085 4.725 4.640 -0.000 0.000 0.211 832 D C 0.867 177.118 176.300 -0.081 0.000 1.077 832 D CA 0.137 54.149 54.000 0.020 0.000 0.842 832 D CB 0.372 41.202 40.800 0.049 0.000 0.947 832 D HN 0.268 nan 8.370 nan 0.000 0.509 833 I N -0.640 119.803 120.570 -0.212 0.000 2.993 833 I HA 0.225 4.395 4.170 -0.000 0.000 0.286 833 I C -2.344 173.567 176.117 -0.343 0.000 1.215 833 I CA -1.356 59.659 61.300 -0.475 0.000 1.393 833 I CB -0.190 37.315 38.000 -0.825 0.000 1.371 833 I HN -0.306 nan 8.210 nan 0.000 0.602 834 P HA 0.337 nan 4.420 nan 0.000 0.275 834 P C -0.865 176.360 177.300 -0.124 0.000 1.227 834 P CA -0.068 62.947 63.100 -0.141 0.000 0.781 834 P CB 0.681 32.370 31.700 -0.020 0.000 0.906 835 I N 1.793 122.341 120.570 -0.038 0.000 2.545 835 I HA 0.575 4.745 4.170 -0.000 0.000 0.292 835 I C 0.958 177.117 176.117 0.072 0.000 1.040 835 I CA 0.187 61.491 61.300 0.008 0.000 1.068 835 I CB 0.956 38.959 38.000 0.005 0.000 1.251 835 I HN 0.714 nan 8.210 nan 0.000 0.424 836 G N 6.313 115.196 108.800 0.138 0.000 2.484 836 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.225 836 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.225 836 G C -0.126 174.878 174.900 0.173 0.000 1.250 836 G CA -0.493 44.740 45.100 0.222 0.000 0.926 836 G HN 0.649 nan 8.290 nan 0.000 0.581 837 K N 1.437 121.907 120.400 0.116 0.000 2.171 837 K HA 0.391 4.711 4.320 -0.000 0.000 0.274 837 K C -0.409 176.138 176.600 -0.088 0.000 1.110 837 K CA 0.187 56.374 56.287 -0.167 0.000 0.952 837 K CB -0.154 32.277 32.500 -0.116 0.000 1.309 837 K HN 0.431 nan 8.250 nan 0.000 0.414 838 Q N 2.016 121.768 119.800 -0.080 0.000 2.418 838 Q HA 0.251 4.591 4.340 -0.000 0.000 0.282 838 Q C -0.871 175.126 176.000 -0.005 0.000 1.044 838 Q CA -0.820 54.973 55.803 -0.015 0.000 0.813 838 Q CB 1.988 30.744 28.738 0.030 0.000 1.428 838 Q HN 0.523 nan 8.270 nan 0.000 0.402 839 E N 1.013 121.221 120.200 0.014 0.000 2.312 839 E HA 0.431 4.781 4.350 -0.000 0.000 0.259 839 E C 0.032 176.656 176.600 0.040 0.000 1.122 839 E CA -0.583 55.825 56.400 0.014 0.000 0.922 839 E CB 1.086 30.794 29.700 0.015 0.000 1.109 839 E HN 0.452 nan 8.360 nan 0.000 0.442 840 I N 3.542 124.109 120.570 -0.004 0.000 2.395 840 I HA 0.117 4.287 4.170 -0.000 0.000 0.289 840 I C -1.666 174.421 176.117 -0.051 0.000 1.023 840 I CA -1.677 59.594 61.300 -0.048 0.000 1.350 840 I CB 0.827 38.724 38.000 -0.171 0.000 1.409 840 I HN 0.130 nan 8.210 nan 0.000 0.507 841 P HA 0.058 nan 4.420 nan 0.000 0.272 841 P C -0.548 176.711 177.300 -0.069 0.000 1.223 841 P CA -0.253 62.836 63.100 -0.018 0.000 0.784 841 P CB 1.127 32.847 31.700 0.035 0.000 0.923 842 V N 3.236 123.120 119.914 -0.051 0.000 2.370 842 V HA 0.017 4.137 4.120 -0.000 0.000 0.257 842 V C 0.568 176.621 176.094 -0.068 0.000 1.064 842 V CA -0.166 62.094 62.300 -0.065 0.000 0.975 842 V CB 0.652 32.448 31.823 -0.046 0.000 1.067 842 V HN 0.246 nan 8.190 nan 0.000 0.485 843 V N 5.999 125.851 119.914 -0.104 0.000 2.339 843 V HA 0.246 4.366 4.120 -0.000 0.000 0.261 843 V C 0.542 176.571 176.094 -0.109 0.000 1.058 843 V CA -0.778 61.449 62.300 -0.122 0.000 0.897 843 V CB 0.737 32.437 31.823 -0.204 0.000 1.052 843 V HN 0.757 nan 8.190 nan 0.000 0.480 844 E N 4.748 124.907 120.200 -0.068 0.000 2.452 844 E HA 0.008 4.358 4.350 -0.000 0.000 0.261 844 E C 0.804 177.377 176.600 -0.044 0.000 0.987 844 E CA 0.287 56.661 56.400 -0.045 0.000 0.926 844 E CB 0.053 29.742 29.700 -0.018 0.000 0.934 844 E HN 0.697 nan 8.360 nan 0.000 0.452 845 N N 0.409 119.091 118.700 -0.030 0.000 2.782 845 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 845 N C -0.596 174.900 175.510 -0.024 0.000 1.101 845 N CA 1.081 54.123 53.050 -0.013 0.000 0.764 845 N CB -1.253 37.242 38.487 0.013 0.000 1.122 845 N HN 0.314 nan 8.380 nan 0.000 0.561 846 S N 0.254 115.921 115.700 -0.056 0.000 2.622 846 S HA 0.328 4.798 4.470 -0.000 0.000 0.283 846 S C 1.141 175.729 174.600 -0.021 0.000 1.197 846 S CA -0.440 57.728 58.200 -0.054 0.000 1.146 846 S CB 0.960 64.077 63.200 -0.139 0.000 1.007 846 S HN 0.279 nan 8.310 nan 0.000 0.478 847 E N 3.880 124.090 120.200 0.017 0.000 2.204 847 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 847 E C 1.257 177.873 176.600 0.027 0.000 0.990 847 E CA 1.175 57.582 56.400 0.013 0.000 0.821 847 E CB -0.350 29.367 29.700 0.027 0.000 0.750 847 E HN 0.654 nan 8.360 nan 0.000 0.477 848 F N 2.279 122.182 119.950 -0.080 0.000 2.146 848 F HA -0.136 4.391 4.527 -0.001 0.000 0.298 848 F C 2.088 177.818 175.800 -0.118 0.000 1.096 848 F CA 1.765 59.713 58.000 -0.087 0.000 1.275 848 F CB -0.379 38.574 39.000 -0.077 0.000 1.008 848 F HN 0.122 nan 8.300 nan 0.000 0.480 849 N N 0.521 119.141 118.700 -0.133 0.000 2.166 849 N HA -0.267 4.473 4.740 -0.000 0.000 0.186 849 N C 1.897 177.252 175.510 -0.258 0.000 1.019 849 N CA 1.624 54.525 53.050 -0.249 0.000 0.856 849 N CB -0.323 38.053 38.487 -0.186 0.000 0.993 849 N HN 0.465 nan 8.380 nan 0.000 0.426 850 Q N 0.984 120.673 119.800 -0.184 0.000 2.079 850 Q HA -0.007 4.333 4.340 -0.000 0.000 0.200 850 Q C 2.110 177.994 176.000 -0.193 0.000 0.974 850 Q CA 1.409 57.119 55.803 -0.155 0.000 0.840 850 Q CB -0.076 28.602 28.738 -0.101 0.000 0.898 850 Q HN 0.327 nan 8.270 nan 0.000 0.430 851 R N -0.793 119.565 120.500 -0.236 0.000 2.081 851 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 851 R C 2.304 178.404 176.300 -0.333 0.000 1.131 851 R CA 1.427 57.372 56.100 -0.258 0.000 0.960 851 R CB -0.434 29.713 30.300 -0.254 0.000 0.856 851 R HN 0.140 nan 8.270 nan 0.000 0.436 852 V N 1.020 120.647 119.914 -0.479 0.000 2.343 852 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 852 V C 2.273 178.198 176.094 -0.282 0.000 1.051 852 V CA 1.729 63.769 62.300 -0.434 0.000 1.036 852 V CB -0.448 31.051 31.823 -0.540 0.000 0.654 852 V HN 0.292 nan 8.190 nan 0.000 0.451 853 R N 0.103 120.454 120.500 -0.247 0.000 2.096 853 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 853 R C 2.237 178.448 176.300 -0.149 0.000 1.127 853 R CA 1.472 57.468 56.100 -0.174 0.000 0.968 853 R CB -0.399 29.812 30.300 -0.148 0.000 0.861 853 R HN 0.553 nan 8.270 nan 0.000 0.440 854 N N 1.000 119.606 118.700 -0.157 0.000 2.058 854 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 854 N C 1.910 177.334 175.510 -0.144 0.000 1.037 854 N CA 1.281 54.251 53.050 -0.133 0.000 0.848 854 N CB -0.253 38.158 38.487 -0.127 0.000 1.021 854 N HN 0.198 nan 8.380 nan 0.000 0.422 855 I N 1.281 121.742 120.570 -0.181 0.000 2.163 855 I HA -0.260 3.909 4.170 -0.000 0.000 0.243 855 I C 2.140 178.151 176.117 -0.178 0.000 1.085 855 I CA 1.062 62.237 61.300 -0.209 0.000 1.347 855 I CB -0.316 37.524 38.000 -0.268 0.000 1.044 855 I HN 0.057 nan 8.210 nan 0.000 0.408 856 I N 0.928 121.405 120.570 -0.155 0.000 2.163 856 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 856 I C 2.209 178.263 176.117 -0.106 0.000 1.085 856 I CA 1.448 62.676 61.300 -0.119 0.000 1.347 856 I CB -0.593 37.341 38.000 -0.111 0.000 1.044 856 I HN 0.340 nan 8.210 nan 0.000 0.408 857 N N 0.460 119.100 118.700 -0.100 0.000 2.223 857 N HA -0.229 4.511 4.740 -0.000 0.000 0.185 857 N C 1.819 177.274 175.510 -0.091 0.000 1.016 857 N CA 1.071 54.073 53.050 -0.080 0.000 0.863 857 N CB -0.377 38.072 38.487 -0.064 0.000 0.983 857 N HN 0.365 nan 8.380 nan 0.000 0.429 858 Q N 1.208 120.946 119.800 -0.104 0.000 2.046 858 Q HA 0.069 4.409 4.340 -0.000 0.000 0.200 858 Q C 1.921 177.848 176.000 -0.122 0.000 0.975 858 Q CA 1.136 56.874 55.803 -0.109 0.000 0.836 858 Q CB -0.431 28.241 28.738 -0.110 0.000 0.896 858 Q HN 0.363 nan 8.270 nan 0.000 0.428 859 L N -0.211 120.958 121.223 -0.089 0.000 2.456 859 L HA -0.059 4.281 4.340 -0.000 0.000 0.224 859 L C 2.144 179.018 176.870 0.008 0.000 1.148 859 L CA 0.836 55.674 54.840 -0.003 0.000 0.825 859 L CB -0.179 41.901 42.059 0.036 0.000 0.937 859 L HN 0.125 nan 8.230 nan 0.000 0.450 860 R N 0.192 120.636 120.500 -0.093 0.000 2.300 860 R HA 0.048 4.388 4.340 -0.000 0.000 0.199 860 R C 0.364 176.566 176.300 -0.162 0.000 0.920 860 R CA -0.003 56.045 56.100 -0.087 0.000 1.046 860 R CB -0.023 30.204 30.300 -0.121 0.000 0.984 860 R HN 0.542 nan 8.270 nan 0.000 0.493 861 N N 0.152 118.638 118.700 -0.357 0.000 2.408 861 N HA 0.140 4.880 4.740 -0.000 0.000 0.280 861 N C -1.150 174.011 175.510 -0.581 0.000 1.002 861 N CA -0.656 52.217 53.050 -0.295 0.000 0.907 861 N CB 1.011 39.429 38.487 -0.116 0.000 1.161 861 N HN -0.053 nan 8.380 nan 0.000 0.488 862 H N 1.248 120.389 119.070 0.118 0.000 2.865 862 H HA 0.125 4.681 4.556 -0.000 0.000 0.362 862 H C -0.670 174.741 175.328 0.138 0.000 1.114 862 H CA -0.658 55.478 56.048 0.148 0.000 1.208 862 H CB 2.169 32.020 29.762 0.149 0.000 1.727 862 H HN 0.838 nan 8.280 nan 0.000 0.534 863 D N -0.081 120.481 120.400 0.269 0.000 2.363 863 D HA -0.058 4.582 4.640 -0.000 0.000 0.214 863 D C 0.529 176.945 176.300 0.194 0.000 1.093 863 D CA -0.057 54.089 54.000 0.244 0.000 0.837 863 D CB 0.243 41.202 40.800 0.265 0.000 0.948 863 D HN 0.505 nan 8.370 nan 0.000 0.507 864 D N -0.123 120.385 120.400 0.180 0.000 2.454 864 D HA 0.054 4.694 4.640 -0.000 0.000 0.214 864 D C 0.884 177.156 176.300 -0.048 0.000 1.088 864 D CA 0.013 54.052 54.000 0.066 0.000 0.855 864 D CB 0.222 41.079 40.800 0.095 0.000 1.025 864 D HN 0.197 nan 8.370 nan 0.000 0.502 865 V N -1.290 118.575 119.914 -0.082 0.000 3.130 865 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 865 V C 1.102 177.168 176.094 -0.048 0.000 1.158 865 V CA -1.105 61.090 62.300 -0.174 0.000 1.029 865 V CB 1.995 33.514 31.823 -0.507 0.000 1.057 865 V HN 0.051 nan 8.190 nan 0.000 0.436 866 I N -1.972 118.586 120.570 -0.020 0.000 3.783 866 I HA 0.250 4.420 4.170 -0.000 0.000 0.310 866 I C 0.862 177.028 176.117 0.082 0.000 1.274 866 I CA 0.173 61.501 61.300 0.046 0.000 1.294 866 I CB -0.029 37.999 38.000 0.046 0.000 1.051 866 I HN 0.680 nan 8.210 nan 0.000 0.435 867 T N 2.403 116.979 114.554 0.036 0.000 2.849 867 T HA -0.112 4.238 4.350 -0.000 0.000 0.289 867 T C -0.766 174.044 174.700 0.183 0.000 1.010 867 T CA 0.617 62.769 62.100 0.086 0.000 1.161 867 T CB -0.125 68.737 68.868 -0.011 0.000 0.989 867 T HN 0.371 nan 8.240 nan 0.000 0.523 868 Y N 3.010 123.380 120.300 0.117 0.000 2.345 868 Y HA 0.327 4.877 4.550 -0.000 0.000 0.331 868 Y C -0.062 175.910 175.900 0.121 0.000 0.959 868 Y CA -1.019 57.154 58.100 0.122 0.000 1.204 868 Y CB 0.962 39.493 38.460 0.118 0.000 1.135 868 Y HN 0.582 nan 8.280 nan 0.000 0.477 869 Q N 4.469 124.038 119.800 -0.385 0.000 2.361 869 Q HA 0.296 4.636 4.340 -0.000 0.000 0.250 869 Q C 0.006 175.806 176.000 -0.334 0.000 1.023 869 Q CA -0.421 55.246 55.803 -0.226 0.000 0.915 869 Q CB 0.958 29.627 28.738 -0.115 0.000 1.238 869 Q HN 0.680 nan 8.270 nan 0.000 0.451 870 S N 1.925 117.573 115.700 -0.087 0.000 2.566 870 S HA 0.100 4.570 4.470 -0.000 0.000 0.280 870 S C -0.270 174.143 174.600 -0.311 0.000 1.343 870 S CA -0.348 57.786 58.200 -0.112 0.000 1.036 870 S CB 0.344 63.512 63.200 -0.053 0.000 0.866 870 S HN 0.422 nan 8.310 nan 0.000 0.526 871 L N 3.072 124.061 121.223 -0.389 0.000 2.317 871 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 871 L C -1.743 174.779 176.870 -0.579 0.000 1.024 871 L CA -0.309 54.316 54.840 -0.359 0.000 0.810 871 L CB 0.670 42.629 42.059 -0.166 0.000 1.240 871 L HN 0.570 nan 8.230 nan 0.000 0.427 872 Y N 5.459 125.663 120.300 -0.160 0.000 2.326 872 Y HA 0.527 5.077 4.550 -0.000 0.000 0.331 872 Y C -0.193 175.767 175.900 0.101 0.000 0.962 872 Y CA -0.588 57.489 58.100 -0.039 0.000 1.167 872 Y CB 1.414 39.794 38.460 -0.134 0.000 1.148 872 Y HN 0.401 nan 8.280 nan 0.000 0.463 873 I N 4.778 125.477 120.570 0.216 0.000 2.315 873 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 873 I C -0.713 175.511 176.117 0.178 0.000 1.006 873 I CA -0.693 60.728 61.300 0.202 0.000 1.265 873 I CB 0.765 38.860 38.000 0.157 0.000 1.387 873 I HN 0.268 nan 8.210 nan 0.000 0.475 874 V N 6.984 127.001 119.914 0.170 0.000 2.604 874 V HA 0.452 4.572 4.120 -0.000 0.000 0.305 874 V C -0.033 175.961 176.094 -0.166 0.000 1.043 874 V CA -0.791 61.561 62.300 0.086 0.000 0.888 874 V CB 2.237 34.207 31.823 0.244 0.000 0.995 874 V HN 0.676 nan 8.190 nan 0.000 0.429 875 R N 2.099 122.470 120.500 -0.216 0.000 2.407 875 R HA 0.644 4.984 4.340 -0.000 0.000 0.303 875 R C 0.362 176.411 176.300 -0.420 0.000 0.981 875 R CA -0.206 55.665 56.100 -0.381 0.000 0.905 875 R CB 1.514 31.630 30.300 -0.306 0.000 1.099 875 R HN 0.939 nan 8.270 nan 0.000 0.459 876 G N 1.645 110.046 108.800 -0.665 0.000 2.599 876 G HA2 0.442 4.402 3.960 -0.000 0.000 0.264 876 G HA3 0.442 4.402 3.960 -0.000 0.000 0.264 876 G C -0.581 174.237 174.900 -0.136 0.000 1.200 876 G CA -0.320 44.554 45.100 -0.377 0.000 0.896 876 G HN 0.758 nan 8.290 nan 0.000 0.536 889 R N 0.633 121.155 120.500 0.037 0.000 2.080 889 R HA 0.032 4.372 4.340 -0.000 0.000 0.222 889 R C 2.067 178.393 176.300 0.044 0.000 1.107 889 R CA 1.246 57.367 56.100 0.035 0.000 0.980 889 R CB -0.165 30.151 30.300 0.026 0.000 0.879 889 R HN 0.742 nan 8.270 nan 0.000 0.439 890 E N 1.216 121.446 120.200 0.050 0.000 2.085 890 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 890 E C 1.776 178.427 176.600 0.085 0.000 0.994 890 E CA 1.488 57.928 56.400 0.068 0.000 0.801 890 E CB 0.079 29.822 29.700 0.072 0.000 0.743 890 E HN 0.074 nan 8.360 nan 0.000 0.453 891 V N 1.324 121.281 119.914 0.072 0.000 2.332 891 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 891 V C 2.533 178.675 176.094 0.080 0.000 1.055 891 V CA 1.853 64.197 62.300 0.073 0.000 1.038 891 V CB -0.868 30.987 31.823 0.052 0.000 0.651 891 V HN 0.490 nan 8.190 nan 0.000 0.450 892 A N -0.136 122.724 122.820 0.066 0.000 1.898 892 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 892 A C 2.398 180.022 177.584 0.067 0.000 1.181 892 A CA 2.278 54.351 52.037 0.061 0.000 0.620 892 A CB -0.943 18.083 19.000 0.044 0.000 0.819 892 A HN 0.494 nan 8.150 nan 0.000 0.442 893 T N 0.515 115.109 114.554 0.068 0.000 2.788 893 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 893 T C 1.767 176.547 174.700 0.133 0.000 1.044 893 T CA 1.464 63.605 62.100 0.068 0.000 1.139 893 T CB -0.329 68.567 68.868 0.047 0.000 0.867 893 T HN 0.355 nan 8.240 nan 0.000 0.454 894 L N 0.090 121.418 121.223 0.175 0.000 2.072 894 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 894 L C 2.883 179.875 176.870 0.203 0.000 1.079 894 L CA 1.151 56.150 54.840 0.264 0.000 0.752 894 L CB -0.381 41.838 42.059 0.268 0.000 0.906 894 L HN 0.087 nan 8.230 nan 0.000 0.436 895 R N -0.344 120.249 120.500 0.155 0.000 2.091 895 R HA -0.211 4.129 4.340 -0.000 0.000 0.238 895 R C 2.211 178.547 176.300 0.061 0.000 1.136 895 R CA 1.332 57.517 56.100 0.141 0.000 0.959 895 R CB -0.507 29.875 30.300 0.136 0.000 0.856 895 R HN 0.154 nan 8.270 nan 0.000 0.437 896 L N -0.243 121.020 121.223 0.066 0.000 2.017 896 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 896 L C 2.028 178.929 176.870 0.052 0.000 1.073 896 L CA 1.675 56.534 54.840 0.032 0.000 0.745 896 L CB -0.559 41.518 42.059 0.031 0.000 0.894 896 L HN 0.286 nan 8.230 nan 0.000 0.432 897 W N 0.125 121.342 121.300 -0.139 0.000 2.355 897 W HA -0.164 4.495 4.660 -0.001 0.000 0.309 897 W C 2.433 178.687 176.519 -0.441 0.000 1.206 897 W CA 2.014 59.236 57.345 -0.205 0.000 1.284 897 W CB -0.941 28.457 29.460 -0.103 0.000 1.145 897 W HN 0.252 nan 8.180 nan 0.000 0.502 898 A N -0.099 122.415 122.820 -0.511 0.000 1.877 898 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 898 A C 2.177 179.399 177.584 -0.604 0.000 1.186 898 A CA 2.461 53.899 52.037 -0.997 0.000 0.620 898 A CB -1.254 17.438 19.000 -0.514 0.000 0.822 898 A HN 0.230 nan 8.150 nan 0.000 0.443 899 S N 0.430 115.913 115.700 -0.363 0.000 2.370 899 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 899 S C 2.292 176.702 174.600 -0.317 0.000 1.033 899 S CA 1.805 59.791 58.200 -0.357 0.000 1.011 899 S CB -0.505 62.557 63.200 -0.231 0.000 0.852 899 S HN 0.936 nan 8.310 nan 0.000 0.457 900 S N 1.630 117.195 115.700 -0.223 0.000 2.465 900 S HA -0.149 4.321 4.470 -0.000 0.000 0.241 900 S C 1.859 176.325 174.600 -0.222 0.000 1.000 900 S CA 1.563 59.662 58.200 -0.167 0.000 0.964 900 S CB -1.081 62.088 63.200 -0.052 0.000 0.763 900 S HN 0.732 nan 8.310 nan 0.000 0.512 901 T N 0.244 114.602 114.554 -0.328 0.000 3.023 901 T HA 0.197 4.547 4.350 -0.000 0.000 0.266 901 T C 0.994 175.497 174.700 -0.329 0.000 1.093 901 T CA 0.207 62.114 62.100 -0.321 0.000 1.129 901 T CB -0.745 67.889 68.868 -0.390 0.000 0.899 901 T HN 0.452 nan 8.240 nan 0.000 0.491 902 L N 3.802 124.807 121.223 -0.362 0.000 2.533 902 L HA 0.231 4.571 4.340 -0.000 0.000 0.239 902 L C 1.805 178.512 176.870 -0.272 0.000 1.376 902 L CA -0.556 54.068 54.840 -0.361 0.000 1.240 902 L CB -0.263 41.519 42.059 -0.461 0.000 1.487 902 L HN 0.197 nan 8.230 nan 0.000 0.419 903 V N -2.475 117.277 119.914 -0.271 0.000 3.207 903 V HA -0.252 3.868 4.120 -0.000 0.000 0.273 903 V C 1.651 177.695 176.094 -0.083 0.000 1.182 903 V CA 1.577 63.760 62.300 -0.195 0.000 1.186 903 V CB -0.691 31.009 31.823 -0.205 0.000 0.801 903 V HN 0.717 nan 8.190 nan 0.000 0.548 904 E N -0.068 120.102 120.200 -0.050 0.000 2.385 904 E HA 0.043 4.393 4.350 -0.000 0.000 0.194 904 E C 0.358 177.018 176.600 0.099 0.000 1.013 904 E CA 0.173 56.635 56.400 0.102 0.000 0.866 904 E CB 0.179 29.944 29.700 0.109 0.000 0.832 904 E HN 0.729 nan 8.360 nan 0.000 0.500 905 D N 1.274 121.666 120.400 -0.013 0.000 2.348 905 D HA 0.043 4.683 4.640 -0.000 0.000 0.249 905 D C 0.037 176.340 176.300 0.005 0.000 1.110 905 D CA -0.131 53.852 54.000 -0.027 0.000 0.967 905 D CB 0.830 41.558 40.800 -0.119 0.000 1.139 905 D HN -0.091 nan 8.370 nan 0.000 0.466 906 K N 0.981 121.382 120.400 0.002 0.000 2.298 906 K HA 0.323 4.643 4.320 -0.000 0.000 0.280 906 K C -0.833 175.753 176.600 -0.022 0.000 1.032 906 K CA -0.155 56.140 56.287 0.014 0.000 0.958 906 K CB 0.395 32.902 32.500 0.012 0.000 0.978 906 K HN 0.382 nan 8.250 nan 0.000 0.472 907 I N 7.397 127.957 120.570 -0.017 0.000 2.476 907 I HA 0.108 4.278 4.170 -0.000 0.000 0.281 907 I C 0.476 176.580 176.117 -0.021 0.000 1.040 907 I CA -0.665 60.614 61.300 -0.035 0.000 1.094 907 I CB 0.986 38.953 38.000 -0.055 0.000 1.219 907 I HN 0.922 nan 8.210 nan 0.000 0.450 908 L N 3.421 124.632 121.223 -0.020 0.000 4.352 908 L HA -0.380 3.960 4.340 -0.000 0.000 0.053 908 L C 0.754 177.623 176.870 -0.002 0.000 3.852 908 L CA 1.769 56.601 54.840 -0.013 0.000 1.088 908 L CB -1.130 40.920 42.059 -0.016 0.000 3.278 908 L HN 0.918 nan 8.230 nan 0.000 0.920 909 N N -0.033 118.669 118.700 0.004 0.000 2.416 909 N HA 0.185 4.925 4.740 -0.000 0.000 0.267 909 N C -0.791 174.736 175.510 0.028 0.000 1.294 909 N CA -0.254 52.805 53.050 0.015 0.000 0.891 909 N CB 0.001 38.496 38.487 0.013 0.000 1.238 909 N HN 0.383 nan 8.380 nan 0.000 0.508 910 N N 1.528 120.246 118.700 0.030 0.000 2.407 910 N HA 0.111 4.851 4.740 -0.000 0.000 0.277 910 N C -0.020 175.543 175.510 0.089 0.000 0.995 910 N CA -0.409 52.674 53.050 0.055 0.000 0.903 910 N CB 1.940 40.435 38.487 0.013 0.000 1.218 910 N HN 0.352 nan 8.380 nan 0.000 0.487 911 E N 0.801 121.087 120.200 0.145 0.000 2.397 911 E HA 0.139 4.489 4.350 -0.000 0.000 0.254 911 E C -0.056 176.667 176.600 0.205 0.000 1.231 911 E CA -0.380 56.104 56.400 0.139 0.000 0.954 911 E CB 0.286 30.056 29.700 0.117 0.000 1.024 911 E HN 0.455 nan 8.360 nan 0.000 0.481 912 S N -0.382 115.400 115.700 0.137 0.000 2.634 912 S HA 0.029 4.499 4.470 -0.000 0.000 0.261 912 S C 0.955 175.654 174.600 0.165 0.000 1.271 912 S CA -0.398 57.903 58.200 0.167 0.000 0.985 912 S CB 0.218 63.466 63.200 0.079 0.000 0.968 912 S HN 0.598 nan 8.310 nan 0.000 0.568 913 Y N 1.499 121.848 120.300 0.082 0.000 2.181 913 Y HA -0.049 4.500 4.550 -0.000 0.000 0.288 913 Y C 2.480 178.365 175.900 -0.026 0.000 1.146 913 Y CA 1.597 59.659 58.100 -0.063 0.000 1.164 913 Y CB -0.532 37.979 38.460 0.085 0.000 0.982 913 Y HN 0.707 nan 8.280 nan 0.000 0.515 914 R N 0.312 120.703 120.500 -0.182 0.000 2.094 914 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 914 R C 2.206 178.371 176.300 -0.225 0.000 1.137 914 R CA 2.187 58.139 56.100 -0.247 0.000 0.943 914 R CB -0.378 29.868 30.300 -0.090 0.000 0.850 914 R HN 0.511 nan 8.270 nan 0.000 0.433 915 E N -0.138 119.988 120.200 -0.123 0.000 2.077 915 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 915 E C 1.791 178.309 176.600 -0.136 0.000 0.989 915 E CA 1.072 57.413 56.400 -0.098 0.000 0.800 915 E CB -0.270 29.411 29.700 -0.031 0.000 0.746 915 E HN 0.238 nan 8.360 nan 0.000 0.452 916 F N 1.990 121.749 119.950 -0.319 0.000 2.087 916 F HA -0.258 4.269 4.527 0.000 0.000 0.299 916 F C 1.926 177.543 175.800 -0.305 0.000 1.100 916 F CA 1.527 59.307 58.000 -0.366 0.000 1.226 916 F CB -0.305 38.237 39.000 -0.764 0.000 0.983 916 F HN -0.088 nan 8.300 nan 0.000 0.479 917 L N -0.205 120.718 121.223 -0.500 0.000 2.042 917 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 917 L C 2.680 179.328 176.870 -0.370 0.000 1.076 917 L CA 1.192 55.737 54.840 -0.491 0.000 0.749 917 L CB -0.878 40.922 42.059 -0.431 0.000 0.893 917 L HN 0.211 nan 8.230 nan 0.000 0.432 918 Q N -0.039 119.592 119.800 -0.282 0.000 2.084 918 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 918 Q C 2.317 178.198 176.000 -0.198 0.000 0.978 918 Q CA 1.608 57.294 55.803 -0.196 0.000 0.844 918 Q CB -0.280 28.373 28.738 -0.143 0.000 0.898 918 Q HN 0.562 nan 8.270 nan 0.000 0.426 919 I N 0.212 120.642 120.570 -0.233 0.000 2.127 919 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 919 I C 2.323 178.294 176.117 -0.244 0.000 1.075 919 I CA 0.936 62.114 61.300 -0.204 0.000 1.334 919 I CB -0.276 37.613 38.000 -0.186 0.000 1.040 919 I HN 0.217 nan 8.210 nan 0.000 0.405 920 M N 0.438 119.801 119.600 -0.396 0.000 2.080 920 M HA -0.270 4.210 4.480 -0.000 0.000 0.260 920 M C 2.329 178.506 176.300 -0.205 0.000 1.068 920 M CA 1.778 56.870 55.300 -0.348 0.000 1.109 920 M CB -1.198 31.099 32.600 -0.506 0.000 1.342 920 M HN 0.198 nan 8.290 nan 0.000 0.405 921 K N 0.011 120.296 120.400 -0.192 0.000 2.063 921 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 921 K C 1.882 178.426 176.600 -0.094 0.000 1.048 921 K CA 1.687 57.901 56.287 -0.122 0.000 0.928 921 K CB -0.054 32.377 32.500 -0.114 0.000 0.713 921 K HN 0.264 nan 8.250 nan 0.000 0.442 922 A N 1.346 124.106 122.820 -0.101 0.000 1.930 922 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 922 A C 2.056 179.602 177.584 -0.063 0.000 1.175 922 A CA 1.222 53.214 52.037 -0.074 0.000 0.627 922 A CB -0.369 18.588 19.000 -0.072 0.000 0.815 922 A HN 0.332 nan 8.150 nan 0.000 0.443 923 R N -0.075 120.379 120.500 -0.076 0.000 2.075 923 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 923 R C 1.757 178.031 176.300 -0.043 0.000 1.126 923 R CA 1.558 57.623 56.100 -0.058 0.000 0.963 923 R CB -0.577 29.682 30.300 -0.068 0.000 0.858 923 R HN 0.786 nan 8.270 nan 0.000 0.435 924 I N -0.955 119.587 120.570 -0.046 0.000 3.686 924 I HA 0.132 4.302 4.170 -0.000 0.000 0.308 924 I C -0.303 175.799 176.117 -0.024 0.000 1.254 924 I CA 0.035 61.319 61.300 -0.027 0.000 1.175 924 I CB 0.149 38.137 38.000 -0.020 0.000 1.009 924 I HN -0.176 nan 8.210 nan 0.000 0.459 925 S N 0.926 116.608 115.700 -0.029 0.000 2.651 925 S HA 0.503 4.973 4.470 -0.000 0.000 0.291 925 S C 0.012 174.599 174.600 -0.021 0.000 1.141 925 S CA -0.763 57.422 58.200 -0.026 0.000 1.027 925 S CB 2.021 65.203 63.200 -0.031 0.000 1.043 925 S HN 0.254 nan 8.310 nan 0.000 0.530 926 K N 0.000 120.389 120.400 -0.019 0.000 2.780 926 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 926 K CA 0.000 56.277 56.287 -0.016 0.000 0.838 926 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 926 K HN 0.000 nan 8.250 nan 0.000 0.543