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 2v8o_1_A DATA FIRST_RESID 176 DATA SEQUENCE GPAYNPEMLK KRQLTVLDLH PGAGKTRRIL PQIIKDAIQK RLRTAVLAPT DATA SEQUENCE RVVAAEMAEA LRGLPVRYLT PXXXREHSGN EIVDVMCHAT LTHRLMSPLR DATA SEQUENCE VPNYNLFVMD EAHFTDPASI AARGYIATRV EAGEAAAIFM TATPPGTSDP DATA SEQUENCE FPDTNSPVHD VSSEIPDRAW SSGFEWITDY AGKTVWFVAS VKMSNEIAQC DATA SEQUENCE LQRAGKRVIQ LNRKSYDTEY PKCKNGDWDF VITTDISEMG ANFGASRVID DATA SEQUENCE CRKSVKPTIL DEGEGRVILS VPSAITSASA AQRRGRVGRN PSQIGDEYHY DATA SEQUENCE GGGTSEDDTM LAHWTEAKIL LDNIHLPNGL VAQLYGPERD KTYTMDGEYR DATA SEQUENCE LRGEERKTFL ELIKTADLPV WLAYKVASNG IQYNDRKWCF DGPRSNIILE DATA SEQUENCE DNNEVEXXXX XXXXXXXKPR WLDARVYSDH QSLKWFKDFA AGK 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 176 G HA2 0.000 nan 3.960 nan 0.000 0.244 176 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 176 G C 0.000 174.917 174.900 0.029 0.000 0.946 176 G CA 0.000 45.119 45.100 0.031 0.000 0.502 177 P HA 0.557 nan 4.420 nan 0.000 0.271 177 P C 0.097 177.411 177.300 0.024 0.000 1.233 177 P CA 0.080 63.188 63.100 0.014 0.000 0.789 177 P CB 0.495 32.194 31.700 -0.001 0.000 0.951 178 A N 1.004 123.837 122.820 0.022 0.000 2.322 178 A HA 0.260 4.580 4.320 -0.000 0.000 0.269 178 A C -0.446 177.164 177.584 0.042 0.000 1.094 178 A CA -0.459 51.605 52.037 0.046 0.000 0.807 178 A CB -0.312 18.713 19.000 0.041 0.000 1.047 178 A HN 0.589 nan 8.150 nan 0.000 0.487 179 Y N 2.655 122.955 120.300 -0.000 0.000 2.904 179 Y HA 0.134 4.684 4.550 0.000 0.000 0.336 179 Y C 0.284 176.183 175.900 -0.002 0.000 1.263 179 Y CA 1.079 59.178 58.100 -0.002 0.000 1.547 179 Y CB 0.257 38.717 38.460 -0.000 0.000 1.272 179 Y HN 0.741 nan 8.280 nan 0.000 0.596 180 N N 6.533 124.572 118.700 -1.102 0.000 2.308 180 N HA 0.285 5.025 4.740 -0.000 0.000 0.283 180 N C -2.619 172.336 175.510 -0.924 0.000 1.105 180 N CA -1.970 50.589 53.050 -0.817 0.000 0.840 180 N CB 2.529 40.810 38.487 -0.344 0.000 1.633 180 N HN 0.266 nan 8.380 nan 0.000 0.476 181 P HA -0.105 nan 4.420 nan 0.000 0.221 181 P C 0.901 178.126 177.300 -0.125 0.000 1.145 181 P CA 1.030 63.997 63.100 -0.222 0.000 0.795 181 P CB 0.434 32.083 31.700 -0.085 0.000 0.775 182 E N 0.093 120.207 120.200 -0.143 0.000 2.171 182 E HA -0.201 4.148 4.350 -0.000 0.000 0.197 182 E C 1.782 178.346 176.600 -0.060 0.000 0.997 182 E CA 1.493 57.842 56.400 -0.085 0.000 0.810 182 E CB -1.005 28.645 29.700 -0.084 0.000 0.738 182 E HN 0.208 nan 8.360 nan 0.000 0.467 183 M N -0.358 119.196 119.600 -0.076 0.000 2.549 183 M HA -0.052 4.428 4.480 -0.000 0.000 0.260 183 M C 1.246 177.568 176.300 0.037 0.000 1.076 183 M CA 0.758 56.050 55.300 -0.012 0.000 1.090 183 M CB 0.018 32.630 32.600 0.021 0.000 1.418 183 M HN 0.135 nan 8.290 nan 0.000 0.486 184 L N -0.486 120.766 121.223 0.049 0.000 2.591 184 L HA 0.092 4.432 4.340 -0.000 0.000 0.228 184 L C 0.354 177.238 176.870 0.023 0.000 1.133 184 L CA 0.106 54.981 54.840 0.058 0.000 0.880 184 L CB -0.407 41.702 42.059 0.084 0.000 1.033 184 L HN 0.152 nan 8.230 nan 0.000 0.450 185 K N 1.122 121.526 120.400 0.007 0.000 2.144 185 K HA 0.267 4.587 4.320 -0.000 0.000 0.270 185 K C 0.019 176.619 176.600 -0.001 0.000 1.005 185 K CA -0.616 55.671 56.287 0.000 0.000 0.932 185 K CB 1.141 33.636 32.500 -0.009 0.000 1.021 185 K HN -0.045 nan 8.250 nan 0.000 0.462 186 K N 1.952 122.353 120.400 0.001 0.000 2.561 186 K HA -0.122 4.198 4.320 -0.000 0.000 0.280 186 K C 0.202 176.799 176.600 -0.005 0.000 0.975 186 K CA 0.861 57.150 56.287 0.003 0.000 1.024 186 K CB 0.200 32.702 32.500 0.004 0.000 0.883 186 K HN 0.608 nan 8.250 nan 0.000 0.496 187 R N -0.112 120.384 120.500 -0.007 0.000 3.653 187 R HA -0.204 4.136 4.340 -0.000 0.000 0.485 187 R C -0.320 175.963 176.300 -0.028 0.000 0.840 187 R CA 0.846 56.935 56.100 -0.018 0.000 1.409 187 R CB -1.155 29.135 30.300 -0.016 0.000 2.089 187 R HN 0.597 nan 8.270 nan 0.000 0.482 188 Q N 1.107 120.890 119.800 -0.029 0.000 2.279 188 Q HA 0.583 4.923 4.340 -0.000 0.000 0.256 188 Q C -1.037 174.918 176.000 -0.074 0.000 0.937 188 Q CA 0.067 55.846 55.803 -0.041 0.000 0.933 188 Q CB 1.210 29.930 28.738 -0.029 0.000 1.189 188 Q HN 0.280 nan 8.270 nan 0.000 0.417 189 L N 3.116 124.278 121.223 -0.101 0.000 2.372 189 L HA 0.626 4.966 4.340 -0.000 0.000 0.274 189 L C -1.312 175.465 176.870 -0.156 0.000 0.988 189 L CA -0.120 54.602 54.840 -0.197 0.000 0.833 189 L CB 1.985 43.904 42.059 -0.235 0.000 1.236 189 L HN 0.574 nan 8.230 nan 0.000 0.410 190 T N 3.645 118.096 114.554 -0.173 0.000 2.848 190 T HA 0.318 4.668 4.350 -0.000 0.000 0.285 190 T C -0.970 173.694 174.700 -0.060 0.000 0.995 190 T CA -0.338 61.718 62.100 -0.074 0.000 0.970 190 T CB 2.196 71.054 68.868 -0.018 0.000 0.976 190 T HN 0.296 nan 8.240 nan 0.000 0.441 191 V N 5.815 125.739 119.914 0.016 0.000 2.364 191 V HA 0.452 4.572 4.120 -0.000 0.000 0.272 191 V C -0.922 175.212 176.094 0.065 0.000 1.036 191 V CA -0.792 61.559 62.300 0.086 0.000 0.880 191 V CB 0.319 32.230 31.823 0.146 0.000 0.991 191 V HN 0.631 nan 8.190 nan 0.000 0.460 192 L N 6.012 127.274 121.223 0.066 0.000 2.264 192 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 192 L C 0.103 176.966 176.870 -0.011 0.000 1.044 192 L CA -0.013 54.849 54.840 0.036 0.000 0.807 192 L CB 1.177 43.265 42.059 0.049 0.000 1.192 192 L HN 0.638 nan 8.230 nan 0.000 0.425 193 D N 5.107 125.474 120.400 -0.054 0.000 2.500 193 D HA 0.297 4.937 4.640 -0.000 0.000 0.219 193 D C -0.612 175.450 176.300 -0.397 0.000 1.137 193 D CA -0.068 53.829 54.000 -0.171 0.000 0.946 193 D CB 0.169 40.930 40.800 -0.065 0.000 1.022 193 D HN 0.346 nan 8.370 nan 0.000 0.518 194 L N 4.019 125.004 121.223 -0.397 0.000 2.313 194 L HA 0.386 4.726 4.340 -0.000 0.000 0.283 194 L C 0.118 176.757 176.870 -0.385 0.000 1.013 194 L CA -0.833 53.811 54.840 -0.326 0.000 0.816 194 L CB 1.770 43.762 42.059 -0.112 0.000 1.236 194 L HN 0.288 nan 8.230 nan 0.000 0.419 195 H N 1.892 120.972 119.070 0.016 0.000 2.670 195 H HA 0.441 4.996 4.556 -0.001 0.000 0.361 195 H C -2.147 173.190 175.328 0.015 0.000 1.169 195 H CA -2.051 54.002 56.048 0.008 0.000 1.198 195 H CB 1.411 31.175 29.762 0.003 0.000 1.700 195 H HN 0.337 nan 8.280 nan 0.000 0.542 196 P HA 0.043 nan 4.420 nan 0.000 0.267 196 P C 0.919 178.269 177.300 0.084 0.000 1.195 196 P CA 1.380 64.536 63.100 0.093 0.000 0.773 196 P CB 0.367 32.119 31.700 0.086 0.000 0.837 197 G N 0.303 109.142 108.800 0.064 0.000 3.035 197 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.242 197 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.242 197 G C -0.333 174.596 174.900 0.048 0.000 1.524 197 G CA -0.080 45.052 45.100 0.054 0.000 1.038 197 G HN 0.810 nan 8.290 nan 0.000 0.561 198 A N 0.705 123.555 122.820 0.049 0.000 2.274 198 A HA 0.796 5.116 4.320 -0.000 0.000 0.309 198 A C 0.636 178.246 177.584 0.044 0.000 1.226 198 A CA 0.841 52.904 52.037 0.042 0.000 0.853 198 A CB 0.910 19.934 19.000 0.040 0.000 1.146 198 A HN 2.483 nan 8.150 nan 0.000 0.518 199 G N 2.319 111.138 108.800 0.032 0.000 5.114 199 G HA2 0.175 4.134 3.960 -0.000 0.000 0.209 199 G HA3 0.175 4.134 3.960 -0.000 0.000 0.209 199 G C 0.504 175.412 174.900 0.013 0.000 1.021 199 G CA 0.201 45.316 45.100 0.025 0.000 0.608 199 G HN 0.771 nan 8.290 nan 0.000 0.360 200 K N -0.123 120.282 120.400 0.009 0.000 1.985 200 K HA -0.093 4.226 4.320 -0.000 0.000 0.210 200 K C 2.223 178.817 176.600 -0.011 0.000 1.047 200 K CA 2.130 58.413 56.287 -0.006 0.000 0.932 200 K CB -0.025 32.471 32.500 -0.005 0.000 0.716 200 K HN 0.203 nan 8.250 nan 0.000 0.439 201 T N 0.453 115.006 114.554 -0.002 0.000 2.857 201 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 201 T C 1.776 176.476 174.700 0.000 0.000 1.048 201 T CA 1.056 63.156 62.100 -0.001 0.000 1.139 201 T CB -0.045 68.827 68.868 0.006 0.000 0.874 201 T HN 0.279 nan 8.240 nan 0.000 0.455 202 R N -0.129 120.374 120.500 0.004 0.000 2.290 202 R HA 0.304 4.644 4.340 -0.000 0.000 0.197 202 R C 2.212 178.514 176.300 0.004 0.000 0.913 202 R CA 0.380 56.484 56.100 0.007 0.000 1.040 202 R CB 0.366 30.673 30.300 0.012 0.000 0.992 202 R HN 0.231 nan 8.270 nan 0.000 0.500 203 R N -1.054 119.446 120.500 0.000 0.000 2.493 203 R HA 0.213 4.553 4.340 -0.000 0.000 0.177 203 R C 1.640 177.930 176.300 -0.017 0.000 0.861 203 R CA -0.151 55.949 56.100 0.000 0.000 1.083 203 R CB 0.189 30.497 30.300 0.013 0.000 1.328 203 R HN -0.045 nan 8.270 nan 0.000 0.615 204 I N 1.608 122.161 120.570 -0.028 0.000 2.133 204 I HA -0.177 3.993 4.170 -0.000 0.000 0.238 204 I C 2.380 178.409 176.117 -0.147 0.000 1.074 204 I CA 1.153 62.409 61.300 -0.073 0.000 1.342 204 I CB -1.020 36.946 38.000 -0.057 0.000 1.053 204 I HN 0.120 nan 8.210 nan 0.000 0.404 205 L N 2.059 123.219 121.223 -0.104 0.000 2.012 205 L HA -0.110 4.229 4.340 -0.000 0.000 0.210 205 L C -0.531 176.278 176.870 -0.102 0.000 1.073 205 L CA 2.404 57.177 54.840 -0.110 0.000 0.748 205 L CB -2.037 39.989 42.059 -0.055 0.000 0.891 205 L HN 0.083 nan 8.230 nan 0.000 0.431 206 P HA -0.200 nan 4.420 nan 0.000 0.216 206 P C 1.433 178.701 177.300 -0.053 0.000 1.150 206 P CA 1.270 64.347 63.100 -0.039 0.000 0.837 206 P CB 0.012 31.704 31.700 -0.013 0.000 0.786 207 Q N -0.290 119.465 119.800 -0.075 0.000 2.119 207 Q HA -0.091 4.249 4.340 -0.000 0.000 0.201 207 Q C 1.976 177.903 176.000 -0.122 0.000 0.972 207 Q CA 1.440 57.210 55.803 -0.055 0.000 0.847 207 Q CB -1.139 27.596 28.738 -0.005 0.000 0.903 207 Q HN 0.186 nan 8.270 nan 0.000 0.433 208 I N -0.104 120.262 120.570 -0.341 0.000 2.163 208 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 208 I C 1.672 177.708 176.117 -0.134 0.000 1.085 208 I CA 0.814 61.865 61.300 -0.415 0.000 1.347 208 I CB -0.404 37.289 38.000 -0.512 0.000 1.044 208 I HN 0.235 nan 8.210 nan 0.000 0.408 209 I N 0.916 121.423 120.570 -0.105 0.000 2.252 209 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 209 I C 2.410 178.513 176.117 -0.023 0.000 1.102 209 I CA 1.570 62.837 61.300 -0.054 0.000 1.385 209 I CB -1.253 36.719 38.000 -0.047 0.000 1.064 209 I HN 0.224 nan 8.210 nan 0.000 0.414 210 K N 0.738 121.130 120.400 -0.014 0.000 2.063 210 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 210 K C 1.709 178.324 176.600 0.025 0.000 1.048 210 K CA 1.681 57.973 56.287 0.008 0.000 0.928 210 K CB -0.137 32.373 32.500 0.015 0.000 0.713 210 K HN 0.253 nan 8.250 nan 0.000 0.442 211 D N 0.363 120.791 120.400 0.046 0.000 2.178 211 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 211 D C 1.772 178.104 176.300 0.054 0.000 0.974 211 D CA 1.229 55.276 54.000 0.078 0.000 0.841 211 D CB -0.179 40.726 40.800 0.176 0.000 0.953 211 D HN 0.233 nan 8.370 nan 0.000 0.478 212 A N 0.622 123.462 122.820 0.033 0.000 1.873 212 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 212 A C 2.343 179.931 177.584 0.007 0.000 1.186 212 A CA 0.768 52.815 52.037 0.016 0.000 0.616 212 A CB -0.687 18.309 19.000 -0.007 0.000 0.823 212 A HN 0.168 nan 8.150 nan 0.000 0.442 213 I N -0.568 120.003 120.570 0.003 0.000 2.226 213 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 213 I C 2.783 178.904 176.117 0.007 0.000 1.100 213 I CA 1.508 62.809 61.300 0.002 0.000 1.374 213 I CB -0.285 37.715 38.000 0.000 0.000 1.057 213 I HN 0.408 nan 8.210 nan 0.000 0.413 214 Q N 1.230 121.038 119.800 0.014 0.000 2.181 214 Q HA -0.209 4.130 4.340 -0.000 0.000 0.205 214 Q C 1.555 177.562 176.000 0.012 0.000 0.980 214 Q CA 1.474 57.285 55.803 0.015 0.000 0.862 214 Q CB 0.083 28.834 28.738 0.021 0.000 0.905 214 Q HN 0.343 nan 8.270 nan 0.000 0.429 215 K N 0.531 120.939 120.400 0.013 0.000 2.410 215 K HA 0.084 4.404 4.320 -0.000 0.000 0.200 215 K C -0.123 176.479 176.600 0.004 0.000 1.023 215 K CA -0.197 56.095 56.287 0.009 0.000 1.149 215 K CB 0.466 32.974 32.500 0.013 0.000 0.859 215 K HN 0.145 nan 8.250 nan 0.000 0.514 216 R N 0.106 120.607 120.500 0.002 0.000 3.525 216 R HA -0.179 4.161 4.340 -0.000 0.000 0.276 216 R C -0.324 175.971 176.300 -0.007 0.000 1.116 216 R CA 0.447 56.545 56.100 -0.003 0.000 0.745 216 R CB -2.973 27.325 30.300 -0.004 0.000 1.185 216 R HN 0.217 nan 8.270 nan 0.000 0.454 217 L N 0.915 122.134 121.223 -0.007 0.000 2.290 217 L HA 0.310 4.650 4.340 -0.000 0.000 0.284 217 L C 1.136 177.997 176.870 -0.015 0.000 1.078 217 L CA -0.724 54.109 54.840 -0.013 0.000 0.815 217 L CB 0.770 42.822 42.059 -0.012 0.000 1.162 217 L HN -0.118 nan 8.230 nan 0.000 0.435 218 R N 2.109 122.599 120.500 -0.017 0.000 2.288 218 R HA 0.221 4.561 4.340 -0.000 0.000 0.330 218 R C -0.875 175.466 176.300 0.069 0.000 1.069 218 R CA 0.216 56.318 56.100 0.004 0.000 0.941 218 R CB 0.245 30.512 30.300 -0.055 0.000 0.998 218 R HN 0.552 nan 8.270 nan 0.000 0.452 219 T N 3.232 117.835 114.554 0.082 0.000 2.824 219 T HA 0.664 5.013 4.350 -0.000 0.000 0.282 219 T C -0.939 173.637 174.700 -0.207 0.000 0.993 219 T CA -0.600 61.457 62.100 -0.071 0.000 0.967 219 T CB 1.764 70.582 68.868 -0.082 0.000 0.960 219 T HN 0.609 nan 8.240 nan 0.000 0.441 220 A N 3.039 125.491 122.820 -0.613 0.000 2.258 220 A HA 0.704 5.024 4.320 -0.000 0.000 0.316 220 A C -0.320 177.097 177.584 -0.277 0.000 1.279 220 A CA -0.599 51.014 52.037 -0.708 0.000 0.876 220 A CB 0.457 18.727 19.000 -1.217 0.000 1.170 220 A HN 0.689 nan 8.150 nan 0.000 0.520 221 V N 4.211 124.021 119.914 -0.173 0.000 2.394 221 V HA 0.402 4.522 4.120 -0.000 0.000 0.282 221 V C -0.274 175.804 176.094 -0.027 0.000 1.031 221 V CA -0.205 62.052 62.300 -0.071 0.000 0.881 221 V CB 0.986 32.774 31.823 -0.058 0.000 0.982 221 V HN 0.727 nan 8.190 nan 0.000 0.451 222 L N 4.785 126.023 121.223 0.024 0.000 2.319 222 L HA 0.820 5.160 4.340 -0.000 0.000 0.281 222 L C 0.227 177.216 176.870 0.199 0.000 1.005 222 L CA -0.498 54.401 54.840 0.099 0.000 0.828 222 L CB 1.629 43.723 42.059 0.059 0.000 1.227 222 L HN 0.694 nan 8.230 nan 0.000 0.415 223 A N 5.051 127.943 122.820 0.120 0.000 2.312 223 A HA 0.720 5.040 4.320 -0.000 0.000 0.328 223 A C -1.738 175.640 177.584 -0.343 0.000 1.158 223 A CA -1.543 50.481 52.037 -0.021 0.000 0.821 223 A CB 0.791 19.765 19.000 -0.043 0.000 1.170 223 A HN 0.561 nan 8.150 nan 0.000 0.490 224 P HA -0.046 nan 4.420 nan 0.000 0.218 224 P C 0.579 177.586 177.300 -0.488 0.000 1.149 224 P CA 1.838 64.384 63.100 -0.924 0.000 0.817 224 P CB -0.039 31.158 31.700 -0.838 0.000 0.785 225 T N -5.165 109.183 114.554 -0.343 0.000 2.883 225 T HA 0.434 4.784 4.350 -0.000 0.000 0.296 225 T C 0.945 175.582 174.700 -0.104 0.000 1.117 225 T CA -0.935 61.038 62.100 -0.211 0.000 1.006 225 T CB 2.074 70.797 68.868 -0.243 0.000 1.191 225 T HN -0.215 nan 8.240 nan 0.000 0.508 226 R N 0.155 120.629 120.500 -0.043 0.000 2.127 226 R HA -0.046 4.294 4.340 -0.000 0.000 0.238 226 R C 2.183 178.486 176.300 0.005 0.000 1.134 226 R CA 1.304 57.399 56.100 -0.008 0.000 0.975 226 R CB -0.773 29.534 30.300 0.012 0.000 0.865 226 R HN 0.539 nan 8.270 nan 0.000 0.447 227 V N 0.307 120.240 119.914 0.030 0.000 2.295 227 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 227 V C 2.289 178.392 176.094 0.015 0.000 1.049 227 V CA 1.715 64.046 62.300 0.052 0.000 1.024 227 V CB -0.282 31.613 31.823 0.120 0.000 0.648 227 V HN 0.136 nan 8.190 nan 0.000 0.447 228 V N 0.217 120.113 119.914 -0.030 0.000 2.407 228 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 228 V C 2.674 178.758 176.094 -0.016 0.000 1.055 228 V CA 1.834 64.109 62.300 -0.042 0.000 1.049 228 V CB -1.116 30.649 31.823 -0.096 0.000 0.662 228 V HN 0.562 nan 8.190 nan 0.000 0.455 229 A N 0.075 122.887 122.820 -0.013 0.000 1.933 229 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 229 A C 2.413 180.006 177.584 0.015 0.000 1.175 229 A CA 2.071 54.124 52.037 0.027 0.000 0.628 229 A CB -0.672 18.349 19.000 0.035 0.000 0.814 229 A HN 0.570 nan 8.150 nan 0.000 0.444 230 A N -0.262 122.546 122.820 -0.020 0.000 1.930 230 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 230 A C 1.900 179.450 177.584 -0.058 0.000 1.175 230 A CA 1.541 53.539 52.037 -0.065 0.000 0.627 230 A CB -0.466 18.508 19.000 -0.043 0.000 0.815 230 A HN 0.632 nan 8.150 nan 0.000 0.443 231 E N -0.529 119.661 120.200 -0.018 0.000 2.077 231 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 231 E C 2.058 178.658 176.600 0.000 0.000 0.989 231 E CA 1.452 57.849 56.400 -0.006 0.000 0.800 231 E CB -0.291 29.414 29.700 0.008 0.000 0.746 231 E HN 0.660 nan 8.360 nan 0.000 0.452 232 M N 0.481 120.093 119.600 0.020 0.000 2.108 232 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 232 M C 2.520 178.872 176.300 0.087 0.000 1.066 232 M CA 1.482 56.819 55.300 0.061 0.000 1.107 232 M CB -0.292 32.368 32.600 0.100 0.000 1.356 232 M HN 0.137 nan 8.290 nan 0.000 0.406 233 A N 0.055 122.877 122.820 0.004 0.000 1.908 233 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 233 A C 1.984 179.506 177.584 -0.104 0.000 1.181 233 A CA 2.112 54.017 52.037 -0.220 0.000 0.627 233 A CB -0.842 17.708 19.000 -0.751 0.000 0.818 233 A HN 0.574 nan 8.150 nan 0.000 0.445 234 E N -0.343 119.810 120.200 -0.079 0.000 2.058 234 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 234 E C 2.098 178.697 176.600 -0.001 0.000 0.997 234 E CA 1.135 57.511 56.400 -0.039 0.000 0.801 234 E CB -0.250 29.431 29.700 -0.032 0.000 0.746 234 E HN 0.561 nan 8.360 nan 0.000 0.450 235 A N 0.318 123.147 122.820 0.014 0.000 2.014 235 A HA -0.040 4.279 4.320 -0.000 0.000 0.218 235 A C 1.869 179.475 177.584 0.038 0.000 1.163 235 A CA 0.759 52.810 52.037 0.023 0.000 0.652 235 A CB -0.136 18.876 19.000 0.021 0.000 0.808 235 A HN 0.289 nan 8.150 nan 0.000 0.449 236 L N -0.807 120.458 121.223 0.070 0.000 2.700 236 L HA 0.187 4.527 4.340 -0.000 0.000 0.234 236 L C 0.490 177.420 176.870 0.101 0.000 1.156 236 L CA -0.463 54.431 54.840 0.091 0.000 0.946 236 L CB -0.041 42.101 42.059 0.137 0.000 1.216 236 L HN 0.193 nan 8.230 nan 0.000 0.493 237 R N 0.616 121.160 120.500 0.074 0.000 2.523 237 R HA 0.134 4.474 4.340 -0.000 0.000 0.281 237 R C 1.258 177.589 176.300 0.051 0.000 0.969 237 R CA 1.257 57.393 56.100 0.060 0.000 1.093 237 R CB 0.131 30.448 30.300 0.029 0.000 0.917 237 R HN 0.355 nan 8.270 nan 0.000 0.408 238 G N 2.127 110.959 108.800 0.053 0.000 2.213 238 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.226 238 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.226 238 G C -0.042 174.882 174.900 0.040 0.000 0.992 238 G CA -0.471 44.654 45.100 0.040 0.000 0.632 238 G HN 0.420 nan 8.290 nan 0.000 0.511 239 L N 1.906 123.158 121.223 0.049 0.000 2.331 239 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 239 L C -1.842 175.053 176.870 0.042 0.000 1.022 239 L CA -2.279 52.583 54.840 0.037 0.000 0.812 239 L CB 1.688 43.764 42.059 0.027 0.000 1.257 239 L HN -0.069 nan 8.230 nan 0.000 0.435 240 P HA 0.116 nan 4.420 nan 0.000 0.268 240 P C -0.822 176.467 177.300 -0.019 0.000 1.541 240 P CA 0.061 63.173 63.100 0.020 0.000 1.093 240 P CB 1.043 32.753 31.700 0.017 0.000 1.551 241 V N 4.572 124.458 119.914 -0.047 0.000 2.656 241 V HA 0.512 4.632 4.120 -0.000 0.000 0.307 241 V C -0.303 175.591 176.094 -0.333 0.000 1.051 241 V CA -1.228 60.938 62.300 -0.223 0.000 0.893 241 V CB 2.359 33.997 31.823 -0.309 0.000 0.999 241 V HN 0.428 nan 8.190 nan 0.000 0.426 242 R N 5.149 125.430 120.500 -0.365 0.000 2.312 242 R HA 0.479 4.819 4.340 -0.000 0.000 0.311 242 R C -1.820 174.169 176.300 -0.518 0.000 1.004 242 R CA -0.368 55.547 56.100 -0.308 0.000 0.902 242 R CB 1.000 31.185 30.300 -0.193 0.000 1.073 242 R HN 0.734 nan 8.270 nan 0.000 0.457 243 Y N 5.279 125.552 120.300 -0.045 0.000 2.385 243 Y HA 0.264 4.815 4.550 0.002 0.000 0.341 243 Y C -0.304 175.565 175.900 -0.052 0.000 0.965 243 Y CA -0.830 57.249 58.100 -0.034 0.000 1.180 243 Y CB 1.377 39.828 38.460 -0.015 0.000 1.139 243 Y HN 0.478 nan 8.280 nan 0.000 0.502 244 L N 4.460 125.708 121.223 0.042 0.000 2.923 244 L HA 0.368 4.708 4.340 -0.000 0.000 0.231 244 L C -0.189 176.706 176.870 0.042 0.000 1.300 244 L CA -0.206 54.643 54.840 0.015 0.000 1.184 244 L CB -0.774 41.281 42.059 -0.006 0.000 1.511 244 L HN 0.599 nan 8.230 nan 0.000 0.448 245 T N -2.826 111.769 114.554 0.068 0.000 3.012 245 T HA 0.735 5.085 4.350 -0.000 0.000 0.330 245 T C -2.555 172.174 174.700 0.048 0.000 1.321 245 T CA -1.232 60.900 62.100 0.053 0.000 1.067 245 T CB 1.756 70.655 68.868 0.052 0.000 1.235 245 T HN -0.072 nan 8.240 nan 0.000 0.479 251 E N 2.290 122.580 120.200 0.149 0.000 2.243 251 E HA 0.467 4.817 4.350 -0.000 0.000 0.260 251 E C -0.340 176.410 176.600 0.251 0.000 0.985 251 E CA -0.513 55.997 56.400 0.183 0.000 0.858 251 E CB 1.448 31.190 29.700 0.071 0.000 1.210 251 E HN 0.531 nan 8.360 nan 0.000 0.411 252 H N -2.747 116.351 119.070 0.047 0.000 3.037 252 H HA 0.260 4.815 4.556 -0.001 0.000 0.355 252 H C 0.220 175.563 175.328 0.026 0.000 1.263 252 H CA -0.278 55.794 56.048 0.041 0.000 1.129 252 H CB 0.795 30.579 29.762 0.038 0.000 1.861 252 H HN 0.394 nan 8.280 nan 0.000 0.546 253 S N -0.117 115.596 115.700 0.023 0.000 2.436 253 S HA 0.128 4.598 4.470 -0.000 0.000 0.228 253 S C 1.689 176.266 174.600 -0.039 0.000 1.014 253 S CA 1.071 59.251 58.200 -0.035 0.000 0.950 253 S CB -0.489 62.720 63.200 0.014 0.000 0.784 253 S HN 1.535 nan 8.310 nan 0.000 0.504 254 G N 1.378 110.237 108.800 0.098 0.000 2.176 254 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.253 254 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.253 254 G C 0.488 175.437 174.900 0.081 0.000 0.979 254 G CA 0.375 45.563 45.100 0.147 0.000 0.641 254 G HN 0.620 nan 8.290 nan 0.000 0.530 255 N N 0.773 119.507 118.700 0.056 0.000 2.205 255 N HA 0.174 4.914 4.740 -0.000 0.000 0.201 255 N C 0.576 176.100 175.510 0.024 0.000 1.128 255 N CA 0.235 53.303 53.050 0.029 0.000 0.867 255 N CB 0.284 38.781 38.487 0.017 0.000 0.996 255 N HN 0.669 nan 8.380 nan 0.000 0.503 256 E N 1.600 121.821 120.200 0.035 0.000 2.398 256 E HA 0.003 4.352 4.350 -0.000 0.000 0.263 256 E C 0.733 177.332 176.600 -0.001 0.000 1.046 256 E CA 0.055 56.461 56.400 0.011 0.000 0.908 256 E CB 1.019 30.720 29.700 0.000 0.000 0.963 256 E HN 0.385 nan 8.360 nan 0.000 0.431 257 I N -1.730 118.835 120.570 -0.009 0.000 4.082 257 I HA 0.219 4.389 4.170 -0.000 0.000 0.337 257 I C -0.354 175.766 176.117 0.004 0.000 1.352 257 I CA -0.522 60.774 61.300 -0.006 0.000 1.097 257 I CB 0.731 38.724 38.000 -0.010 0.000 1.048 257 I HN 0.020 nan 8.210 nan 0.000 0.393 258 V N 2.625 122.523 119.914 -0.026 0.000 2.417 258 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 258 V C -1.077 174.955 176.094 -0.103 0.000 1.024 258 V CA -0.319 61.947 62.300 -0.056 0.000 0.861 258 V CB 1.416 33.190 31.823 -0.082 0.000 0.985 258 V HN 0.138 nan 8.190 nan 0.000 0.436 259 D N 3.248 123.597 120.400 -0.085 0.000 2.375 259 D HA 0.529 5.169 4.640 -0.000 0.000 0.247 259 D C -0.615 175.577 176.300 -0.179 0.000 1.061 259 D CA -0.183 53.741 54.000 -0.126 0.000 0.834 259 D CB 2.400 43.212 40.800 0.020 0.000 1.247 259 D HN 0.246 nan 8.370 nan 0.000 0.489 260 V N 4.072 123.844 119.914 -0.238 0.000 2.398 260 V HA 0.609 4.729 4.120 -0.000 0.000 0.286 260 V C 0.389 176.473 176.094 -0.017 0.000 1.026 260 V CA -0.374 61.859 62.300 -0.113 0.000 0.868 260 V CB 1.006 32.800 31.823 -0.049 0.000 0.982 260 V HN 0.542 nan 8.190 nan 0.000 0.443 261 M N 3.584 123.183 119.600 -0.001 0.000 2.843 261 M HA 0.639 5.119 4.480 -0.000 0.000 0.273 261 M C -1.241 175.068 176.300 0.015 0.000 1.286 261 M CA -0.566 54.742 55.300 0.013 0.000 0.807 261 M CB 1.811 34.408 32.600 -0.006 0.000 1.684 261 M HN 0.406 nan 8.290 nan 0.000 0.458 262 C N 1.065 120.361 119.300 -0.006 0.000 2.520 262 C HA 0.317 4.777 4.460 -0.000 0.000 0.376 262 C C 1.829 176.829 174.990 0.017 0.000 1.268 262 C CA -0.044 58.956 59.018 -0.030 0.000 2.414 262 C CB -0.221 27.474 27.740 -0.075 0.000 2.521 262 C HN 0.944 nan 8.230 nan 0.000 0.618 263 H N 0.949 119.958 119.070 -0.101 0.000 2.319 263 H HA -0.206 4.350 4.556 0.000 0.000 0.297 263 H C 2.112 177.306 175.328 -0.223 0.000 1.097 263 H CA 1.472 57.433 56.048 -0.145 0.000 1.285 263 H CB 0.034 29.711 29.762 -0.141 0.000 1.368 263 H HN 0.799 nan 8.280 nan 0.000 0.495 264 A N 0.567 123.294 122.820 -0.155 0.000 1.968 264 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 264 A C 2.403 179.649 177.584 -0.562 0.000 1.169 264 A CA 1.618 53.381 52.037 -0.457 0.000 0.638 264 A CB -0.677 18.015 19.000 -0.514 0.000 0.812 264 A HN 0.352 nan 8.150 nan 0.000 0.446 265 T N 0.324 114.721 114.554 -0.262 0.000 2.720 265 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 265 T C 1.816 176.464 174.700 -0.087 0.000 1.037 265 T CA 1.594 63.621 62.100 -0.122 0.000 1.144 265 T CB -0.370 68.473 68.868 -0.041 0.000 0.864 265 T HN 0.333 nan 8.240 nan 0.000 0.444 266 L N 1.100 122.268 121.223 -0.093 0.000 2.017 266 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 266 L C 2.528 179.319 176.870 -0.132 0.000 1.073 266 L CA 1.890 56.687 54.840 -0.072 0.000 0.745 266 L CB -1.269 40.759 42.059 -0.052 0.000 0.894 266 L HN 0.172 nan 8.230 nan 0.000 0.432 267 T N -1.354 113.091 114.554 -0.182 0.000 2.684 267 T HA -0.232 4.117 4.350 -0.000 0.000 0.267 267 T C 1.714 176.371 174.700 -0.071 0.000 1.036 267 T CA 1.968 63.962 62.100 -0.176 0.000 1.148 267 T CB -0.627 68.124 68.868 -0.195 0.000 0.863 267 T HN 0.579 nan 8.240 nan 0.000 0.436 268 H N 0.164 119.162 119.070 -0.121 0.000 2.387 268 H HA 0.004 4.560 4.556 -0.000 0.000 0.299 268 H C 2.716 177.986 175.328 -0.098 0.000 1.090 268 H CA 1.064 57.043 56.048 -0.115 0.000 1.332 268 H CB 0.079 29.781 29.762 -0.100 0.000 1.386 268 H HN 0.157 nan 8.280 nan 0.000 0.516 269 R N 1.057 121.579 120.500 0.036 0.000 2.092 269 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 269 R C 2.007 178.268 176.300 -0.066 0.000 1.119 269 R CA 0.803 56.899 56.100 -0.005 0.000 0.970 269 R CB -0.068 30.236 30.300 0.006 0.000 0.864 269 R HN 0.264 nan 8.270 nan 0.000 0.440 270 L N 0.077 121.217 121.223 -0.137 0.000 2.275 270 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 270 L C 2.101 178.849 176.870 -0.203 0.000 1.119 270 L CA 0.938 55.626 54.840 -0.254 0.000 0.790 270 L CB -0.094 41.708 42.059 -0.428 0.000 0.919 270 L HN 0.289 nan 8.230 nan 0.000 0.443 271 M N -1.098 118.445 119.600 -0.094 0.000 2.556 271 M HA 0.031 4.510 4.480 -0.000 0.000 0.245 271 M C 0.938 177.241 176.300 0.006 0.000 1.128 271 M CA 0.098 55.381 55.300 -0.027 0.000 1.069 271 M CB 0.152 32.750 32.600 -0.004 0.000 1.469 271 M HN 0.230 nan 8.290 nan 0.000 0.494 272 S N 0.052 115.747 115.700 -0.009 0.000 2.651 272 S HA 0.421 4.891 4.470 -0.000 0.000 0.291 272 S C -1.859 172.786 174.600 0.076 0.000 1.141 272 S CA -1.354 56.861 58.200 0.025 0.000 1.027 272 S CB 1.095 64.298 63.200 0.006 0.000 1.043 272 S HN -0.022 nan 8.310 nan 0.000 0.530 273 P HA 0.105 nan 4.420 nan 0.000 0.233 273 P C 0.256 177.634 177.300 0.131 0.000 1.167 273 P CA 0.251 63.440 63.100 0.150 0.000 0.770 273 P CB -0.078 31.672 31.700 0.083 0.000 0.837 274 L N 0.607 121.876 121.223 0.077 0.000 2.485 274 L HA 0.105 4.445 4.340 -0.000 0.000 0.275 274 L C 1.326 178.235 176.870 0.064 0.000 1.207 274 L CA -0.289 54.584 54.840 0.056 0.000 0.855 274 L CB 0.019 42.097 42.059 0.032 0.000 1.114 274 L HN -0.052 nan 8.230 nan 0.000 0.485 275 R N 1.734 122.266 120.500 0.054 0.000 2.489 275 R HA 0.282 4.621 4.340 -0.000 0.000 0.287 275 R C -1.055 175.258 176.300 0.020 0.000 1.053 275 R CA -0.380 55.751 56.100 0.052 0.000 1.036 275 R CB 0.662 30.982 30.300 0.034 0.000 0.966 275 R HN 0.409 nan 8.270 nan 0.000 0.432 276 V N 7.324 127.247 119.914 0.015 0.000 2.427 276 V HA 0.301 4.421 4.120 -0.000 0.000 0.286 276 V C -1.819 174.227 176.094 -0.081 0.000 1.034 276 V CA -1.897 60.401 62.300 -0.005 0.000 0.893 276 V CB 1.284 33.120 31.823 0.021 0.000 0.982 276 V HN 0.852 nan 8.190 nan 0.000 0.452 277 P HA 0.056 nan 4.420 nan 0.000 0.269 277 P C -0.176 176.865 177.300 -0.432 0.000 1.217 277 P CA -0.252 62.587 63.100 -0.436 0.000 0.783 277 P CB 0.320 31.554 31.700 -0.777 0.000 0.898 278 N N 1.693 120.228 118.700 -0.275 0.000 2.895 278 N HA 0.024 4.764 4.740 -0.000 0.000 0.277 278 N C -0.930 174.485 175.510 -0.159 0.000 1.185 278 N CA -0.123 52.855 53.050 -0.119 0.000 1.106 278 N CB -1.002 37.457 38.487 -0.047 0.000 1.422 278 N HN 0.214 nan 8.380 nan 0.000 0.521 279 Y N 0.963 121.235 120.300 -0.047 0.000 2.620 279 Y HA -0.023 4.527 4.550 -0.000 0.000 0.330 279 Y C 1.670 177.416 175.900 -0.255 0.000 1.186 279 Y CA 0.383 58.314 58.100 -0.281 0.000 1.467 279 Y CB 0.323 38.355 38.460 -0.714 0.000 1.262 279 Y HN 0.446 nan 8.280 nan 0.000 0.550 280 N N 1.574 120.234 118.700 -0.068 0.000 2.405 280 N HA 0.107 4.847 4.740 -0.000 0.000 0.175 280 N C -0.877 174.587 175.510 -0.077 0.000 1.051 280 N CA 0.106 53.130 53.050 -0.044 0.000 0.899 280 N CB 0.409 38.880 38.487 -0.028 0.000 1.000 280 N HN 0.326 nan 8.380 nan 0.000 0.451 281 L N 0.245 121.341 121.223 -0.212 0.000 2.464 281 L HA 0.484 4.824 4.340 -0.000 0.000 0.266 281 L C -1.964 174.654 176.870 -0.421 0.000 0.965 281 L CA -0.662 54.071 54.840 -0.179 0.000 0.833 281 L CB 1.172 43.182 42.059 -0.082 0.000 1.296 281 L HN -0.179 nan 8.230 nan 0.000 0.405 282 F N 4.363 124.302 119.950 -0.018 0.000 2.482 282 F HA 0.714 5.241 4.527 -0.001 0.000 0.331 282 F C -0.255 175.536 175.800 -0.015 0.000 1.115 282 F CA -0.836 57.138 58.000 -0.044 0.000 0.955 282 F CB 2.231 41.230 39.000 -0.002 0.000 1.136 282 F HN 0.102 nan 8.300 nan 0.000 0.452 283 V N 4.862 124.854 119.914 0.129 0.000 2.376 283 V HA 0.360 4.480 4.120 -0.000 0.000 0.287 283 V C -0.401 175.747 176.094 0.090 0.000 1.015 283 V CA -0.675 61.683 62.300 0.096 0.000 0.834 283 V CB 1.584 33.415 31.823 0.013 0.000 1.001 283 V HN 0.817 nan 8.190 nan 0.000 0.428 284 M N 4.157 123.831 119.600 0.123 0.000 2.101 284 M HA 0.511 4.991 4.480 -0.000 0.000 0.340 284 M C -0.761 175.541 176.300 0.004 0.000 1.057 284 M CA -0.434 54.846 55.300 -0.032 0.000 0.984 284 M CB 1.108 33.511 32.600 -0.328 0.000 1.560 284 M HN 0.689 nan 8.290 nan 0.000 0.435 285 D N 3.593 124.028 120.400 0.060 0.000 2.264 285 D HA 0.114 4.754 4.640 -0.000 0.000 0.249 285 D C -0.320 176.036 176.300 0.092 0.000 1.070 285 D CA 0.816 54.856 54.000 0.067 0.000 0.912 285 D CB 0.846 41.674 40.800 0.046 0.000 1.193 285 D HN 0.664 nan 8.370 nan 0.000 0.427 286 E N 1.343 121.573 120.200 0.049 0.000 2.228 286 E HA -0.222 4.128 4.350 -0.000 0.000 0.213 286 E C 0.131 176.664 176.600 -0.112 0.000 1.282 286 E CA 0.757 57.154 56.400 -0.004 0.000 0.707 286 E CB -1.846 27.764 29.700 -0.151 0.000 1.150 286 E HN 0.493 nan 8.360 nan 0.000 0.362 287 A N 0.827 123.633 122.820 -0.023 0.000 2.239 287 A HA -0.121 4.199 4.320 -0.000 0.000 0.209 287 A C 1.635 179.158 177.584 -0.101 0.000 1.171 287 A CA 1.056 52.977 52.037 -0.194 0.000 0.768 287 A CB -0.569 18.240 19.000 -0.319 0.000 0.790 287 A HN 0.572 nan 8.150 nan 0.000 0.478 288 H N -2.934 116.156 119.070 0.034 0.000 2.551 288 H HA 0.076 4.631 4.556 -0.001 0.000 0.266 288 H C 0.241 175.657 175.328 0.148 0.000 0.977 288 H CA -0.399 55.699 56.048 0.083 0.000 1.163 288 H CB -0.614 29.188 29.762 0.067 0.000 1.381 288 H HN 0.285 nan 8.280 nan 0.000 0.581 289 F N 4.802 124.481 119.950 -0.452 0.000 2.593 289 F HA -0.004 4.524 4.527 0.001 0.000 0.393 289 F C 0.957 176.654 175.800 -0.173 0.000 1.037 289 F CA 0.345 58.163 58.000 -0.304 0.000 1.195 289 F CB 0.661 39.509 39.000 -0.253 0.000 1.034 289 F HN 0.151 nan 8.300 nan 0.000 0.552 290 T N 1.000 115.523 114.554 -0.051 0.000 3.186 290 T HA 0.097 4.447 4.350 -0.000 0.000 0.257 290 T C 0.184 174.571 174.700 -0.521 0.000 1.029 290 T CA -0.475 61.461 62.100 -0.273 0.000 0.916 290 T CB -0.749 68.001 68.868 -0.196 0.000 1.041 290 T HN 0.526 nan 8.240 nan 0.000 0.562 291 D N 2.494 122.319 120.400 -0.959 0.000 2.488 291 D HA 0.110 4.750 4.640 -0.000 0.000 0.238 291 D C -1.265 174.572 176.300 -0.772 0.000 1.138 291 D CA -1.536 51.812 54.000 -1.087 0.000 0.873 291 D CB 1.114 40.978 40.800 -1.560 0.000 1.183 291 D HN -0.022 nan 8.370 nan 0.000 0.458 292 P HA -0.214 nan 4.420 nan 0.000 0.216 292 P C 0.711 177.826 177.300 -0.309 0.000 1.154 292 P CA 1.744 64.591 63.100 -0.421 0.000 0.865 292 P CB 0.053 31.551 31.700 -0.336 0.000 0.789 293 A N -1.183 121.435 122.820 -0.336 0.000 2.014 293 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 293 A C 2.300 179.726 177.584 -0.264 0.000 1.163 293 A CA 1.710 53.586 52.037 -0.270 0.000 0.652 293 A CB -1.277 17.536 19.000 -0.312 0.000 0.808 293 A HN 0.118 nan 8.150 nan 0.000 0.449 294 S N -0.011 115.490 115.700 -0.331 0.000 2.368 294 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 294 S C 1.789 176.233 174.600 -0.260 0.000 1.029 294 S CA 1.335 59.376 58.200 -0.265 0.000 0.988 294 S CB -0.442 62.609 63.200 -0.249 0.000 0.838 294 S HN 0.566 nan 8.310 nan 0.000 0.462 295 I N 1.909 122.344 120.570 -0.226 0.000 2.163 295 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 295 I C 2.734 178.823 176.117 -0.046 0.000 1.085 295 I CA 1.195 62.443 61.300 -0.086 0.000 1.347 295 I CB -0.550 37.427 38.000 -0.039 0.000 1.044 295 I HN 0.259 nan 8.210 nan 0.000 0.408 296 A N 0.826 123.601 122.820 -0.076 0.000 1.877 296 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 296 A C 2.572 180.128 177.584 -0.046 0.000 1.186 296 A CA 1.991 54.006 52.037 -0.036 0.000 0.620 296 A CB -0.949 18.019 19.000 -0.054 0.000 0.822 296 A HN 0.440 nan 8.150 nan 0.000 0.443 297 A N -0.187 122.559 122.820 -0.123 0.000 1.883 297 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 297 A C 2.250 179.750 177.584 -0.141 0.000 1.186 297 A CA 1.677 53.628 52.037 -0.143 0.000 0.624 297 A CB -0.534 18.328 19.000 -0.229 0.000 0.822 297 A HN 0.560 nan 8.150 nan 0.000 0.444 298 R N -1.040 119.335 120.500 -0.208 0.000 2.096 298 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 298 R C 2.379 178.686 176.300 0.011 0.000 1.127 298 R CA 1.130 57.113 56.100 -0.194 0.000 0.968 298 R CB -0.610 29.493 30.300 -0.329 0.000 0.861 298 R HN 0.556 nan 8.270 nan 0.000 0.440 299 G N 0.159 108.992 108.800 0.055 0.000 2.404 299 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.215 299 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.215 299 G C 1.249 176.181 174.900 0.053 0.000 1.174 299 G CA 0.550 45.706 45.100 0.092 0.000 0.780 299 G HN 0.346 nan 8.290 nan 0.000 0.537 300 Y N 1.365 121.620 120.300 -0.074 0.000 2.097 300 Y HA -0.118 4.431 4.550 -0.000 0.000 0.282 300 Y C 2.582 178.374 175.900 -0.180 0.000 1.152 300 Y CA 1.564 59.600 58.100 -0.106 0.000 1.136 300 Y CB -0.279 38.103 38.460 -0.129 0.000 0.975 300 Y HN 0.183 nan 8.280 nan 0.000 0.498 301 I N 0.346 120.728 120.570 -0.312 0.000 2.127 301 I HA -0.369 3.801 4.170 -0.000 0.000 0.241 301 I C 2.715 178.649 176.117 -0.305 0.000 1.075 301 I CA 1.484 62.452 61.300 -0.552 0.000 1.334 301 I CB -0.875 36.850 38.000 -0.457 0.000 1.040 301 I HN 0.362 nan 8.210 nan 0.000 0.405 302 A N 0.170 122.918 122.820 -0.120 0.000 1.933 302 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 302 A C 2.370 179.911 177.584 -0.072 0.000 1.175 302 A CA 2.451 54.464 52.037 -0.039 0.000 0.628 302 A CB -1.082 18.014 19.000 0.160 0.000 0.814 302 A HN 0.423 nan 8.150 nan 0.000 0.444 303 T N -0.258 114.230 114.554 -0.111 0.000 2.708 303 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 303 T C 2.102 176.714 174.700 -0.148 0.000 1.037 303 T CA 1.302 63.336 62.100 -0.111 0.000 1.146 303 T CB -0.223 68.585 68.868 -0.100 0.000 0.865 303 T HN 0.387 nan 8.240 nan 0.000 0.435 304 R N 0.751 121.091 120.500 -0.268 0.000 2.096 304 R HA -0.004 4.335 4.340 -0.000 0.000 0.235 304 R C 2.507 178.759 176.300 -0.081 0.000 1.127 304 R CA 0.770 56.750 56.100 -0.201 0.000 0.968 304 R CB -1.272 28.852 30.300 -0.292 0.000 0.861 304 R HN 0.327 nan 8.270 nan 0.000 0.440 305 V N 1.237 121.103 119.914 -0.081 0.000 2.307 305 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 305 V C 2.476 178.547 176.094 -0.038 0.000 1.045 305 V CA 1.972 64.247 62.300 -0.042 0.000 1.024 305 V CB -0.518 31.265 31.823 -0.067 0.000 0.651 305 V HN 0.392 nan 8.190 nan 0.000 0.449 306 E N 0.495 120.669 120.200 -0.043 0.000 2.160 306 E HA -0.212 4.137 4.350 -0.000 0.000 0.195 306 E C 1.982 178.567 176.600 -0.025 0.000 0.991 306 E CA 1.312 57.694 56.400 -0.030 0.000 0.810 306 E CB -0.205 29.478 29.700 -0.027 0.000 0.742 306 E HN 0.579 nan 8.360 nan 0.000 0.466 307 A N -0.069 122.734 122.820 -0.028 0.000 2.235 307 A HA 0.198 4.518 4.320 -0.000 0.000 0.208 307 A C 1.706 179.284 177.584 -0.010 0.000 1.172 307 A CA 0.957 52.983 52.037 -0.018 0.000 0.786 307 A CB -0.484 18.504 19.000 -0.021 0.000 0.804 307 A HN 0.501 nan 8.150 nan 0.000 0.479 308 G N -0.844 107.950 108.800 -0.010 0.000 2.143 308 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.249 308 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.249 308 G C 0.486 175.389 174.900 0.006 0.000 0.981 308 G CA 0.512 45.610 45.100 -0.003 0.000 0.665 308 G HN 0.496 nan 8.290 nan 0.000 0.528 309 E N -0.423 119.783 120.200 0.011 0.000 2.447 309 E HA 0.492 4.842 4.350 -0.000 0.000 0.195 309 E C 1.138 177.769 176.600 0.052 0.000 1.028 309 E CA 1.061 57.477 56.400 0.027 0.000 0.876 309 E CB 0.718 30.436 29.700 0.029 0.000 0.885 309 E HN 1.288 nan 8.360 nan 0.000 0.500 310 A N 0.346 123.201 122.820 0.058 0.000 2.601 310 A HA 0.725 5.045 4.320 -0.000 0.000 0.291 310 A C -1.442 176.184 177.584 0.070 0.000 1.075 310 A CA -0.188 51.907 52.037 0.097 0.000 0.671 310 A CB 1.238 20.391 19.000 0.255 0.000 1.277 310 A HN 0.053 nan 8.150 nan 0.000 0.417 311 A N -0.325 122.538 122.820 0.073 0.000 2.330 311 A HA 0.979 5.299 4.320 -0.000 0.000 0.329 311 A C -0.045 177.588 177.584 0.082 0.000 1.135 311 A CA -0.049 52.013 52.037 0.042 0.000 0.817 311 A CB 1.277 20.291 19.000 0.023 0.000 1.269 311 A HN 2.565 nan 8.150 nan 0.000 0.469 312 A N 1.004 123.814 122.820 -0.017 0.000 2.455 312 A HA 0.716 5.036 4.320 -0.000 0.000 0.300 312 A C -1.081 176.405 177.584 -0.162 0.000 1.040 312 A CA -0.298 51.696 52.037 -0.071 0.000 0.697 312 A CB 0.856 19.690 19.000 -0.276 0.000 1.265 312 A HN 0.713 nan 8.150 nan 0.000 0.407 313 I N 2.523 123.065 120.570 -0.046 0.000 2.389 313 I HA 0.421 4.591 4.170 -0.000 0.000 0.288 313 I C -1.312 174.903 176.117 0.164 0.000 0.999 313 I CA -0.367 60.928 61.300 -0.009 0.000 1.129 313 I CB 1.453 39.485 38.000 0.054 0.000 1.288 313 I HN 0.459 nan 8.210 nan 0.000 0.444 314 F N 6.412 126.335 119.950 -0.046 0.000 2.411 314 F HA 0.525 5.052 4.527 -0.000 0.000 0.352 314 F C 0.125 175.911 175.800 -0.023 0.000 1.123 314 F CA -1.308 56.649 58.000 -0.071 0.000 1.044 314 F CB 1.419 40.342 39.000 -0.128 0.000 1.135 314 F HN 0.225 nan 8.300 nan 0.000 0.461 315 M N 3.215 122.912 119.600 0.162 0.000 2.149 315 M HA 0.500 4.980 4.480 -0.000 0.000 0.342 315 M C -0.106 176.251 176.300 0.094 0.000 1.068 315 M CA -0.223 55.131 55.300 0.090 0.000 0.991 315 M CB 2.079 34.708 32.600 0.048 0.000 1.596 315 M HN 0.605 nan 8.290 nan 0.000 0.439 316 T N 0.884 115.482 114.554 0.074 0.000 3.047 316 T HA 0.527 4.877 4.350 -0.000 0.000 0.340 316 T C 0.156 174.834 174.700 -0.037 0.000 1.421 316 T CA -0.210 61.946 62.100 0.093 0.000 1.090 316 T CB 1.449 70.451 68.868 0.223 0.000 1.292 316 T HN 0.698 nan 8.240 nan 0.000 0.480 317 A N 2.277 125.045 122.820 -0.087 0.000 2.168 317 A HA 0.265 4.585 4.320 -0.000 0.000 0.215 317 A C 1.201 178.768 177.584 -0.029 0.000 1.152 317 A CA 1.317 53.301 52.037 -0.089 0.000 0.716 317 A CB -0.427 18.596 19.000 0.038 0.000 0.794 317 A HN 1.155 nan 8.150 nan 0.000 0.465 318 T N -1.516 112.979 114.554 -0.099 0.000 3.327 318 T HA 0.528 4.878 4.350 -0.000 0.000 0.373 318 T C -3.025 171.686 174.700 0.018 0.000 1.589 318 T CA -2.009 60.050 62.100 -0.067 0.000 1.497 318 T CB 1.052 69.822 68.868 -0.163 0.000 1.032 318 T HN -0.041 nan 8.240 nan 0.000 0.640 319 P HA 0.266 nan 4.420 nan 0.000 0.271 319 P C -2.526 174.835 177.300 0.101 0.000 1.244 319 P CA -1.174 61.988 63.100 0.104 0.000 0.793 319 P CB -0.535 31.217 31.700 0.087 0.000 0.984 320 P HA 0.020 nan 4.420 nan 0.000 0.263 320 P C 0.902 178.224 177.300 0.037 0.000 1.175 320 P CA 1.614 64.764 63.100 0.083 0.000 0.761 320 P CB -0.152 31.589 31.700 0.069 0.000 0.794 321 G N 1.360 110.168 108.800 0.014 0.000 2.157 321 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 321 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 321 G C 0.324 175.224 174.900 -0.000 0.000 0.979 321 G CA 0.056 45.155 45.100 -0.002 0.000 0.650 321 G HN 0.604 nan 8.290 nan 0.000 0.529 322 T N 1.227 115.784 114.554 0.005 0.000 2.902 322 T HA 0.442 4.792 4.350 -0.000 0.000 0.301 322 T C 1.440 176.124 174.700 -0.026 0.000 1.012 322 T CA 1.000 63.094 62.100 -0.009 0.000 1.151 322 T CB 1.167 70.026 68.868 -0.015 0.000 0.946 322 T HN 1.094 nan 8.240 nan 0.000 0.542 323 S N 0.656 116.335 115.700 -0.035 0.000 2.687 323 S HA 0.159 4.629 4.470 -0.000 0.000 0.247 323 S C -0.088 174.470 174.600 -0.070 0.000 1.050 323 S CA -0.541 57.632 58.200 -0.045 0.000 1.063 323 S CB 0.327 63.509 63.200 -0.029 0.000 1.039 323 S HN 0.589 nan 8.310 nan 0.000 0.580 324 D N 3.139 123.491 120.400 -0.079 0.000 2.359 324 D HA 0.454 5.094 4.640 -0.000 0.000 0.230 324 D C -2.051 174.127 176.300 -0.204 0.000 1.118 324 D CA -2.184 51.758 54.000 -0.098 0.000 0.844 324 D CB 1.899 42.667 40.800 -0.053 0.000 1.059 324 D HN 0.035 nan 8.370 nan 0.000 0.493 325 P HA 0.103 nan 4.420 nan 0.000 0.236 325 P C -0.211 176.595 177.300 -0.824 0.000 1.177 325 P CA 0.384 63.080 63.100 -0.673 0.000 0.773 325 P CB 0.079 31.180 31.700 -0.998 0.000 0.878 326 F N 0.804 120.654 119.950 -0.167 0.000 2.597 326 F HA 0.346 4.873 4.527 -0.001 0.000 0.336 326 F C -2.055 173.660 175.800 -0.141 0.000 1.432 326 F CA -2.977 54.921 58.000 -0.171 0.000 1.120 326 F CB -0.092 38.824 39.000 -0.141 0.000 1.253 326 F HN -0.144 nan 8.300 nan 0.000 0.546 327 P HA 0.046 nan 4.420 nan 0.000 0.272 327 P C -0.140 177.115 177.300 -0.076 0.000 1.230 327 P CA -0.223 62.834 63.100 -0.072 0.000 0.788 327 P CB 1.061 32.681 31.700 -0.133 0.000 0.949 328 D N 0.503 120.848 120.400 -0.091 0.000 2.478 328 D HA 0.115 4.755 4.640 -0.000 0.000 0.234 328 D C 0.720 176.946 176.300 -0.124 0.000 1.154 328 D CA 0.938 54.883 54.000 -0.092 0.000 0.874 328 D CB 0.225 40.972 40.800 -0.089 0.000 1.198 328 D HN 0.407 nan 8.370 nan 0.000 0.455 329 T N -1.000 113.505 114.554 -0.083 0.000 2.888 329 T HA 0.319 4.669 4.350 -0.000 0.000 0.288 329 T C 0.989 175.666 174.700 -0.039 0.000 1.063 329 T CA -0.905 61.155 62.100 -0.067 0.000 1.010 329 T CB 1.023 69.870 68.868 -0.035 0.000 1.214 329 T HN 0.029 nan 8.240 nan 0.000 0.533 330 N N 0.415 119.107 118.700 -0.014 0.000 2.244 330 N HA 0.072 4.812 4.740 -0.000 0.000 0.183 330 N C 0.379 175.895 175.510 0.010 0.000 1.016 330 N CA 0.704 53.757 53.050 0.005 0.000 0.866 330 N CB -0.033 38.469 38.487 0.024 0.000 0.980 330 N HN 0.618 nan 8.380 nan 0.000 0.430 331 S N -0.212 115.497 115.700 0.014 0.000 2.541 331 S HA 0.502 4.972 4.470 -0.000 0.000 0.280 331 S C -2.821 171.785 174.600 0.011 0.000 1.112 331 S CA -1.585 56.627 58.200 0.020 0.000 0.925 331 S CB 1.559 64.784 63.200 0.042 0.000 1.067 331 S HN -0.228 nan 8.310 nan 0.000 0.479 332 P HA 0.151 nan 4.420 nan 0.000 0.266 332 P C -1.257 176.029 177.300 -0.023 0.000 1.195 332 P CA -0.212 62.861 63.100 -0.045 0.000 0.768 332 P CB 0.434 32.083 31.700 -0.086 0.000 0.838 333 V N 3.743 123.628 119.914 -0.047 0.000 2.495 333 V HA 0.202 4.322 4.120 -0.000 0.000 0.298 333 V C -0.160 175.902 176.094 -0.054 0.000 1.031 333 V CA -0.569 61.747 62.300 0.026 0.000 0.871 333 V CB 1.187 33.051 31.823 0.069 0.000 0.988 333 V HN 0.507 nan 8.190 nan 0.000 0.432 334 H N 2.751 121.842 119.070 0.034 0.000 3.004 334 H HA 0.275 4.831 4.556 -0.000 0.000 0.267 334 H C -0.437 174.881 175.328 -0.017 0.000 1.165 334 H CA -0.174 55.867 56.048 -0.012 0.000 1.450 334 H CB 0.052 29.797 29.762 -0.027 0.000 1.488 334 H HN 0.537 nan 8.280 nan 0.000 0.478 335 D N 3.838 124.272 120.400 0.057 0.000 2.295 335 D HA 0.173 4.812 4.640 -0.000 0.000 0.248 335 D C -0.342 175.994 176.300 0.060 0.000 1.154 335 D CA -0.148 53.936 54.000 0.139 0.000 0.857 335 D CB 1.624 42.407 40.800 -0.028 0.000 1.117 335 D HN 0.182 nan 8.370 nan 0.000 0.468 336 V N 1.681 121.563 119.914 -0.053 0.000 2.577 336 V HA 0.178 4.298 4.120 -0.000 0.000 0.303 336 V C 0.277 175.970 176.094 -0.669 0.000 1.042 336 V CA -0.894 61.203 62.300 -0.338 0.000 0.872 336 V CB 1.963 33.434 31.823 -0.587 0.000 0.998 336 V HN 0.472 nan 8.190 nan 0.000 0.423 337 S N 3.754 118.999 115.700 -0.759 0.000 2.481 337 S HA 0.564 5.034 4.470 -0.000 0.000 0.276 337 S C -0.030 174.247 174.600 -0.537 0.000 1.247 337 S CA -0.109 57.480 58.200 -1.018 0.000 1.053 337 S CB 0.211 63.055 63.200 -0.594 0.000 0.925 337 S HN 0.816 nan 8.310 nan 0.000 0.491 338 S N 3.589 119.019 115.700 -0.450 0.000 2.540 338 S HA 0.277 4.747 4.470 -0.000 0.000 0.275 338 S C -0.957 173.591 174.600 -0.087 0.000 1.123 338 S CA -0.862 57.179 58.200 -0.265 0.000 0.907 338 S CB 1.607 64.612 63.200 -0.326 0.000 1.081 338 S HN 0.867 nan 8.310 nan 0.000 0.476 339 E N 2.758 122.973 120.200 0.024 0.000 2.351 339 E HA 0.113 4.463 4.350 -0.000 0.000 0.266 339 E C -0.857 175.892 176.600 0.248 0.000 1.031 339 E CA -0.036 56.452 56.400 0.146 0.000 0.911 339 E CB 0.263 30.084 29.700 0.202 0.000 0.986 339 E HN 0.308 nan 8.360 nan 0.000 0.446 340 I N 6.885 127.507 120.570 0.087 0.000 2.378 340 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 340 I C -2.080 173.948 176.117 -0.148 0.000 0.992 340 I CA -3.104 58.150 61.300 -0.077 0.000 1.154 340 I CB 0.686 38.648 38.000 -0.063 0.000 1.315 340 I HN 0.456 nan 8.210 nan 0.000 0.448 341 P HA 0.081 nan 4.420 nan 0.000 0.266 341 P C 0.118 177.434 177.300 0.027 0.000 1.195 341 P CA 0.136 63.003 63.100 -0.388 0.000 0.768 341 P CB 0.612 31.861 31.700 -0.753 0.000 0.838 342 D N 2.098 122.520 120.400 0.038 0.000 2.431 342 D HA 0.099 4.739 4.640 -0.000 0.000 0.213 342 D C 0.332 176.663 176.300 0.051 0.000 1.130 342 D CA 0.046 54.089 54.000 0.072 0.000 0.834 342 D CB 0.520 41.362 40.800 0.070 0.000 0.985 342 D HN 0.269 nan 8.370 nan 0.000 0.504 343 R N -0.801 119.743 120.500 0.073 0.000 2.747 343 R HA 0.655 4.995 4.340 -0.000 0.000 0.272 343 R C -1.051 175.353 176.300 0.173 0.000 1.032 343 R CA -0.875 55.271 56.100 0.077 0.000 0.896 343 R CB 1.178 31.523 30.300 0.076 0.000 1.253 343 R HN 0.016 nan 8.270 nan 0.000 0.461 344 A N 0.691 123.561 122.820 0.084 0.000 2.483 344 A HA 0.314 4.634 4.320 -0.000 0.000 0.238 344 A C -0.908 176.801 177.584 0.208 0.000 1.070 344 A CA 0.384 52.437 52.037 0.026 0.000 0.770 344 A CB -0.191 18.726 19.000 -0.138 0.000 1.008 344 A HN 0.628 nan 8.150 nan 0.000 0.497 345 W N -0.141 121.142 121.300 -0.029 0.000 2.950 345 W HA 0.607 5.267 4.660 -0.001 0.000 0.340 345 W C 0.256 176.802 176.519 0.045 0.000 1.139 345 W CA -0.142 57.233 57.345 0.051 0.000 1.188 345 W CB 1.160 30.707 29.460 0.144 0.000 1.426 345 W HN 0.664 nan 8.180 nan 0.000 0.531 346 S N -0.088 115.705 115.700 0.155 0.000 2.603 346 S HA 0.427 4.897 4.470 -0.000 0.000 0.232 346 S C 0.063 174.747 174.600 0.141 0.000 1.016 346 S CA 0.322 58.544 58.200 0.037 0.000 0.976 346 S CB -0.515 62.696 63.200 0.018 0.000 0.921 346 S HN 0.972 nan 8.310 nan 0.000 0.516 347 S N -0.638 115.240 115.700 0.298 0.000 2.588 347 S HA 0.788 5.258 4.470 -0.000 0.000 0.269 347 S C 0.234 175.013 174.600 0.300 0.000 1.157 347 S CA -0.265 58.084 58.200 0.249 0.000 0.824 347 S CB 0.887 64.165 63.200 0.130 0.000 1.126 347 S HN 1.754 nan 8.310 nan 0.000 0.464 348 G N 0.819 109.704 108.800 0.142 0.000 2.698 348 G HA2 0.142 4.102 3.960 -0.000 0.000 0.233 348 G HA3 0.142 4.102 3.960 -0.000 0.000 0.233 348 G C -0.116 174.789 174.900 0.008 0.000 1.352 348 G CA 0.015 45.080 45.100 -0.057 0.000 0.879 348 G HN 1.995 nan 8.290 nan 0.000 0.567 349 F N -1.173 118.720 119.950 -0.095 0.000 3.079 349 F HA -0.212 4.315 4.527 -0.000 0.000 0.274 349 F C 1.622 177.232 175.800 -0.317 0.000 0.940 349 F CA 1.641 59.409 58.000 -0.387 0.000 0.932 349 F CB -1.833 36.616 39.000 -0.918 0.000 0.891 349 F HN 0.649 nan 8.300 nan 0.000 0.722 350 E N 0.161 120.390 120.200 0.048 0.000 2.153 350 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 350 E C 2.024 178.683 176.600 0.098 0.000 0.988 350 E CA 1.634 58.096 56.400 0.102 0.000 0.811 350 E CB -0.357 29.415 29.700 0.119 0.000 0.746 350 E HN 0.806 nan 8.360 nan 0.000 0.466 351 W N 0.875 122.203 121.300 0.046 0.000 2.364 351 W HA -0.123 4.537 4.660 -0.000 0.000 0.281 351 W C 1.380 177.917 176.519 0.029 0.000 1.219 351 W CA 0.638 57.995 57.345 0.020 0.000 1.220 351 W CB -0.806 28.620 29.460 -0.058 0.000 1.127 351 W HN 0.040 nan 8.180 nan 0.000 0.556 352 I N 2.128 122.232 120.570 -0.778 0.000 2.163 352 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 352 I C 2.735 178.890 176.117 0.063 0.000 1.081 352 I CA 2.654 63.571 61.300 -0.638 0.000 1.353 352 I CB -0.896 36.593 38.000 -0.851 0.000 1.054 352 I HN -0.019 nan 8.210 nan 0.000 0.407 353 T N -3.180 111.451 114.554 0.128 0.000 3.054 353 T HA -0.000 4.350 4.350 -0.000 0.000 0.259 353 T C 1.355 176.192 174.700 0.228 0.000 1.092 353 T CA 0.436 62.690 62.100 0.257 0.000 1.121 353 T CB -0.213 68.790 68.868 0.226 0.000 0.912 353 T HN 0.126 nan 8.240 nan 0.000 0.489 354 D N 0.431 120.946 120.400 0.192 0.000 2.269 354 D HA 0.032 4.671 4.640 -0.000 0.000 0.208 354 D C 0.318 176.729 176.300 0.185 0.000 0.963 354 D CA 0.311 54.411 54.000 0.168 0.000 0.864 354 D CB -0.496 40.397 40.800 0.155 0.000 0.936 354 D HN 0.465 nan 8.370 nan 0.000 0.505 355 Y N 1.190 121.549 120.300 0.099 0.000 2.805 355 Y HA 0.047 4.597 4.550 0.000 0.000 0.331 355 Y C 1.265 177.185 175.900 0.034 0.000 1.241 355 Y CA -0.329 57.811 58.100 0.068 0.000 1.546 355 Y CB 0.785 39.278 38.460 0.054 0.000 1.248 355 Y HN -0.101 nan 8.280 nan 0.000 0.559 356 A N 4.679 127.217 122.820 -0.469 0.000 2.072 356 A HA 0.230 4.550 4.320 -0.000 0.000 0.216 356 A C 1.407 178.752 177.584 -0.399 0.000 1.156 356 A CA 0.874 52.709 52.037 -0.338 0.000 0.701 356 A CB -0.783 18.050 19.000 -0.278 0.000 0.816 356 A HN 0.880 nan 8.150 nan 0.000 0.458 357 G N -0.492 107.862 108.800 -0.744 0.000 2.641 357 G HA2 0.478 4.438 3.960 -0.000 0.000 0.239 357 G HA3 0.478 4.438 3.960 -0.000 0.000 0.239 357 G C -0.416 174.417 174.900 -0.112 0.000 1.402 357 G CA -0.698 44.178 45.100 -0.374 0.000 1.046 357 G HN 0.273 nan 8.290 nan 0.000 0.565 358 K N -0.122 120.233 120.400 -0.075 0.000 2.159 358 K HA 0.530 4.850 4.320 -0.000 0.000 0.266 358 K C -0.864 175.734 176.600 -0.002 0.000 0.975 358 K CA -0.140 56.026 56.287 -0.202 0.000 0.865 358 K CB 1.703 33.859 32.500 -0.573 0.000 1.087 358 K HN 0.322 nan 8.250 nan 0.000 0.446 359 T N 1.570 116.049 114.554 -0.125 0.000 2.807 359 T HA 0.310 4.660 4.350 -0.000 0.000 0.279 359 T C -0.713 174.020 174.700 0.054 0.000 0.993 359 T CA -0.684 61.326 62.100 -0.149 0.000 0.970 359 T CB 1.431 69.955 68.868 -0.574 0.000 0.950 359 T HN 0.130 nan 8.240 nan 0.000 0.441 360 V N 3.968 123.908 119.914 0.044 0.000 2.370 360 V HA 0.417 4.537 4.120 -0.000 0.000 0.283 360 V C -0.911 175.233 176.094 0.084 0.000 1.023 360 V CA -0.885 61.349 62.300 -0.110 0.000 0.857 360 V CB 1.173 32.791 31.823 -0.342 0.000 0.985 360 V HN 0.805 nan 8.190 nan 0.000 0.443 361 W N 7.236 128.464 121.300 -0.119 0.000 2.362 361 W HA 0.567 5.226 4.660 -0.002 0.000 0.316 361 W C -1.343 175.116 176.519 -0.099 0.000 1.024 361 W CA -2.280 55.075 57.345 0.017 0.000 1.270 361 W CB 1.301 30.834 29.460 0.121 0.000 1.273 361 W HN 0.412 nan 8.180 nan 0.000 0.424 362 F N 6.095 126.330 119.950 0.475 0.000 2.424 362 F HA 0.279 4.806 4.527 0.001 0.000 0.356 362 F C 0.949 176.967 175.800 0.365 0.000 1.110 362 F CA -0.182 58.012 58.000 0.324 0.000 1.161 362 F CB 0.627 39.774 39.000 0.246 0.000 1.115 362 F HN 0.113 nan 8.300 nan 0.000 0.507 363 V N 0.782 120.885 119.914 0.314 0.000 3.096 363 V HA 0.805 4.925 4.120 -0.000 0.000 0.319 363 V C 0.488 176.680 176.094 0.164 0.000 1.103 363 V CA -0.556 61.854 62.300 0.184 0.000 1.016 363 V CB 1.367 33.161 31.823 -0.048 0.000 1.090 363 V HN 0.755 nan 8.190 nan 0.000 0.449 364 A N 1.169 124.056 122.820 0.113 0.000 2.123 364 A HA 0.508 4.828 4.320 -0.000 0.000 0.214 364 A C 1.085 178.701 177.584 0.053 0.000 1.152 364 A CA 0.930 53.020 52.037 0.089 0.000 0.728 364 A CB -0.641 18.403 19.000 0.073 0.000 0.814 364 A HN 1.822 nan 8.150 nan 0.000 0.464 365 S N -3.506 112.213 115.700 0.032 0.000 2.587 365 S HA 0.361 4.830 4.470 -0.000 0.000 0.269 365 S C 0.402 174.997 174.600 -0.008 0.000 1.154 365 S CA 0.033 58.238 58.200 0.008 0.000 0.824 365 S CB 0.832 64.030 63.200 -0.004 0.000 1.118 365 S HN 0.216 nan 8.310 nan 0.000 0.462 366 V N 1.946 121.854 119.914 -0.011 0.000 2.407 366 V HA -0.112 4.007 4.120 -0.000 0.000 0.248 366 V C 2.746 178.827 176.094 -0.022 0.000 1.055 366 V CA 2.275 64.566 62.300 -0.016 0.000 1.049 366 V CB -0.927 30.893 31.823 -0.006 0.000 0.662 366 V HN 0.995 nan 8.190 nan 0.000 0.455 367 K N -0.001 120.390 120.400 -0.015 0.000 2.026 367 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 367 K C 2.276 178.853 176.600 -0.038 0.000 1.048 367 K CA 2.147 58.426 56.287 -0.013 0.000 0.929 367 K CB -0.212 32.286 32.500 -0.003 0.000 0.713 367 K HN 0.427 nan 8.250 nan 0.000 0.439 368 M N 0.383 119.958 119.600 -0.042 0.000 2.117 368 M HA -0.196 4.284 4.480 -0.000 0.000 0.262 368 M C 2.247 178.465 176.300 -0.137 0.000 1.065 368 M CA 1.862 57.119 55.300 -0.071 0.000 1.114 368 M CB -0.214 32.359 32.600 -0.045 0.000 1.361 368 M HN 0.213 nan 8.290 nan 0.000 0.408 369 S N 0.813 116.437 115.700 -0.127 0.000 2.359 369 S HA -0.207 4.263 4.470 -0.000 0.000 0.223 369 S C 1.535 176.034 174.600 -0.169 0.000 1.039 369 S CA 2.124 60.222 58.200 -0.170 0.000 1.042 369 S CB -0.476 62.658 63.200 -0.109 0.000 0.915 369 S HN 0.625 nan 8.310 nan 0.000 0.439 370 N N 1.158 119.791 118.700 -0.113 0.000 2.120 370 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 370 N C 1.758 177.186 175.510 -0.136 0.000 1.024 370 N CA 1.360 54.347 53.050 -0.105 0.000 0.852 370 N CB -0.548 37.901 38.487 -0.063 0.000 1.003 370 N HN 0.633 nan 8.380 nan 0.000 0.424 371 E N 0.299 120.421 120.200 -0.131 0.000 2.072 371 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 371 E C 1.764 178.246 176.600 -0.197 0.000 0.985 371 E CA 0.535 56.853 56.400 -0.137 0.000 0.801 371 E CB 0.066 29.709 29.700 -0.094 0.000 0.750 371 E HN 0.226 nan 8.360 nan 0.000 0.452 372 I N 1.153 121.571 120.570 -0.253 0.000 2.202 372 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 372 I C 2.528 178.410 176.117 -0.391 0.000 1.091 372 I CA 1.019 62.097 61.300 -0.369 0.000 1.368 372 I CB -1.351 36.238 38.000 -0.685 0.000 1.058 372 I HN 0.016 nan 8.210 nan 0.000 0.410 373 A N 0.383 123.006 122.820 -0.328 0.000 1.883 373 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 373 A C 2.254 179.699 177.584 -0.230 0.000 1.186 373 A CA 1.608 53.488 52.037 -0.261 0.000 0.624 373 A CB -0.700 18.189 19.000 -0.185 0.000 0.822 373 A HN 0.512 nan 8.150 nan 0.000 0.444 374 Q N -1.387 118.286 119.800 -0.211 0.000 2.119 374 Q HA -0.168 4.172 4.340 -0.000 0.000 0.201 374 Q C 2.313 178.165 176.000 -0.246 0.000 0.972 374 Q CA 1.364 57.052 55.803 -0.191 0.000 0.847 374 Q CB -0.549 28.093 28.738 -0.161 0.000 0.903 374 Q HN 0.793 nan 8.270 nan 0.000 0.433 375 C N 0.574 119.676 119.300 -0.330 0.000 2.413 375 C HA -0.128 4.332 4.460 -0.000 0.000 0.276 375 C C 2.444 177.133 174.990 -0.501 0.000 1.236 375 C CA 0.737 59.464 59.018 -0.485 0.000 1.735 375 C CB -0.954 26.355 27.740 -0.719 0.000 2.031 375 C HN 0.490 nan 8.230 nan 0.000 0.474 376 L N 0.269 121.222 121.223 -0.451 0.000 2.093 376 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 376 L C 2.872 179.607 176.870 -0.224 0.000 1.085 376 L CA 1.708 56.328 54.840 -0.366 0.000 0.755 376 L CB -0.747 41.036 42.059 -0.460 0.000 0.904 376 L HN 0.462 nan 8.230 nan 0.000 0.435 377 Q N -0.338 119.350 119.800 -0.188 0.000 2.050 377 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 377 Q C 2.363 178.295 176.000 -0.112 0.000 0.980 377 Q CA 1.376 57.111 55.803 -0.114 0.000 0.840 377 Q CB -0.101 28.577 28.738 -0.100 0.000 0.898 377 Q HN 0.410 nan 8.270 nan 0.000 0.424 378 R N 0.093 120.502 120.500 -0.152 0.000 2.159 378 R HA -0.081 4.259 4.340 -0.000 0.000 0.237 378 R C 1.800 178.022 176.300 -0.129 0.000 1.131 378 R CA 1.053 57.069 56.100 -0.139 0.000 0.982 378 R CB -0.211 29.987 30.300 -0.170 0.000 0.868 378 R HN 0.143 nan 8.270 nan 0.000 0.453 379 A N 0.100 122.826 122.820 -0.157 0.000 2.252 379 A HA 0.211 4.531 4.320 -0.000 0.000 0.207 379 A C 1.322 178.878 177.584 -0.046 0.000 1.194 379 A CA 0.733 52.705 52.037 -0.109 0.000 0.809 379 A CB -0.198 18.720 19.000 -0.137 0.000 0.814 379 A HN 0.460 nan 8.150 nan 0.000 0.482 380 G N -0.781 107.994 108.800 -0.041 0.000 2.159 380 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.256 380 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.256 380 G C 0.120 175.037 174.900 0.028 0.000 0.977 380 G CA 0.367 45.464 45.100 -0.005 0.000 0.652 380 G HN 0.409 nan 8.290 nan 0.000 0.531 381 K N 0.509 120.927 120.400 0.030 0.000 2.185 381 K HA 0.448 4.768 4.320 -0.000 0.000 0.271 381 K C 0.756 177.420 176.600 0.106 0.000 1.013 381 K CA -0.515 55.836 56.287 0.108 0.000 0.943 381 K CB 0.810 33.387 32.500 0.127 0.000 0.998 381 K HN 0.395 nan 8.250 nan 0.000 0.468 382 R N 0.979 121.580 120.500 0.168 0.000 2.234 382 R HA 0.353 4.693 4.340 -0.000 0.000 0.324 382 R C -0.397 176.046 176.300 0.237 0.000 1.054 382 R CA -0.508 55.691 56.100 0.165 0.000 0.912 382 R CB 0.731 31.133 30.300 0.171 0.000 1.030 382 R HN 0.179 nan 8.270 nan 0.000 0.455 383 V N 5.427 125.431 119.914 0.150 0.000 2.709 383 V HA 0.469 4.589 4.120 -0.000 0.000 0.308 383 V C -0.214 175.905 176.094 0.041 0.000 1.062 383 V CA -0.764 61.612 62.300 0.127 0.000 0.901 383 V CB 2.199 34.042 31.823 0.033 0.000 1.003 383 V HN 0.630 nan 8.190 nan 0.000 0.425 384 I N 3.591 124.148 120.570 -0.023 0.000 2.433 384 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 384 I C -0.312 175.733 176.117 -0.121 0.000 1.001 384 I CA -0.446 60.788 61.300 -0.111 0.000 1.119 384 I CB 2.000 39.849 38.000 -0.251 0.000 1.289 384 I HN 0.568 nan 8.210 nan 0.000 0.438 385 Q N 6.634 126.382 119.800 -0.087 0.000 2.325 385 Q HA 0.604 4.944 4.340 -0.000 0.000 0.262 385 Q C -1.292 174.684 176.000 -0.040 0.000 0.968 385 Q CA -0.612 55.146 55.803 -0.075 0.000 0.877 385 Q CB 2.566 31.267 28.738 -0.062 0.000 1.253 385 Q HN 0.509 nan 8.270 nan 0.000 0.448 386 L N 3.462 124.674 121.223 -0.018 0.000 2.313 386 L HA 0.530 4.869 4.340 -0.000 0.000 0.283 386 L C -0.519 176.405 176.870 0.090 0.000 1.013 386 L CA -0.688 54.201 54.840 0.081 0.000 0.816 386 L CB 1.096 43.259 42.059 0.174 0.000 1.236 386 L HN 0.758 nan 8.230 nan 0.000 0.419 387 N N 0.607 119.374 118.700 0.111 0.000 3.039 387 N HA 0.347 5.087 4.740 -0.000 0.000 0.257 387 N C 0.243 175.791 175.510 0.064 0.000 1.497 387 N CA -1.147 51.943 53.050 0.067 0.000 0.861 387 N CB 0.959 39.461 38.487 0.024 0.000 1.479 387 N HN 0.339 nan 8.380 nan 0.000 0.547 388 R N -0.162 120.340 120.500 0.004 0.000 2.113 388 R HA -0.166 4.173 4.340 -0.000 0.000 0.244 388 R C 0.798 177.088 176.300 -0.018 0.000 1.142 388 R CA 1.754 57.837 56.100 -0.028 0.000 0.953 388 R CB -0.099 30.173 30.300 -0.048 0.000 0.860 388 R HN 0.496 nan 8.270 nan 0.000 0.438 389 K N 0.004 120.382 120.400 -0.037 0.000 2.062 389 K HA -0.037 4.282 4.320 -0.000 0.000 0.205 389 K C 2.105 178.705 176.600 -0.001 0.000 1.051 389 K CA 1.671 57.920 56.287 -0.063 0.000 0.941 389 K CB -0.263 32.176 32.500 -0.102 0.000 0.719 389 K HN 0.353 nan 8.250 nan 0.000 0.440 390 S N -0.293 115.429 115.700 0.037 0.000 2.496 390 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 390 S C 2.024 176.672 174.600 0.081 0.000 0.996 390 S CA -0.119 58.109 58.200 0.047 0.000 0.927 390 S CB -0.408 62.812 63.200 0.034 0.000 0.774 390 S HN 0.249 nan 8.310 nan 0.000 0.524 391 Y N 2.734 123.026 120.300 -0.013 0.000 2.128 391 Y HA -0.169 4.383 4.550 0.003 0.000 0.284 391 Y C 2.118 178.040 175.900 0.037 0.000 1.154 391 Y CA 2.036 60.139 58.100 0.005 0.000 1.149 391 Y CB -0.719 37.710 38.460 -0.052 0.000 0.976 391 Y HN 0.347 nan 8.280 nan 0.000 0.505 392 D N -1.331 119.153 120.400 0.141 0.000 2.149 392 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 392 D C 2.093 178.398 176.300 0.009 0.000 0.990 392 D CA 2.184 56.229 54.000 0.074 0.000 0.839 392 D CB -0.118 40.724 40.800 0.070 0.000 0.948 392 D HN 0.540 nan 8.370 nan 0.000 0.460 393 T N -2.934 111.621 114.554 0.002 0.000 3.010 393 T HA 0.067 4.417 4.350 -0.000 0.000 0.252 393 T C 1.689 176.360 174.700 -0.048 0.000 1.047 393 T CA 0.236 62.327 62.100 -0.015 0.000 1.140 393 T CB -0.011 68.859 68.868 0.003 0.000 0.885 393 T HN -0.053 nan 8.240 nan 0.000 0.464 394 E N 0.387 120.550 120.200 -0.061 0.000 2.140 394 E HA 0.078 4.428 4.350 -0.000 0.000 0.191 394 E C 1.781 178.286 176.600 -0.159 0.000 0.973 394 E CA 0.532 56.877 56.400 -0.090 0.000 0.829 394 E CB -0.418 29.244 29.700 -0.064 0.000 0.781 394 E HN 0.637 nan 8.360 nan 0.000 0.466 395 Y N 2.275 122.346 120.300 -0.381 0.000 2.181 395 Y HA -0.108 4.445 4.550 0.005 0.000 0.288 395 Y C -0.884 174.834 175.900 -0.303 0.000 1.146 395 Y CA 1.520 59.320 58.100 -0.501 0.000 1.164 395 Y CB -1.140 36.643 38.460 -1.128 0.000 0.982 395 Y HN 0.051 nan 8.280 nan 0.000 0.515 396 P HA -0.165 nan 4.420 nan 0.000 0.219 396 P C 0.946 178.085 177.300 -0.269 0.000 1.146 396 P CA 2.107 65.010 63.100 -0.328 0.000 0.808 396 P CB -0.082 31.535 31.700 -0.139 0.000 0.779 397 K N -1.266 119.007 120.400 -0.212 0.000 2.283 397 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 397 K C 1.863 178.400 176.600 -0.106 0.000 1.048 397 K CA 1.000 57.212 56.287 -0.125 0.000 0.948 397 K CB -0.659 31.788 32.500 -0.089 0.000 0.742 397 K HN 0.212 nan 8.250 nan 0.000 0.458 398 C N 1.256 120.409 119.300 -0.245 0.000 2.425 398 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 398 C C 2.490 177.590 174.990 0.183 0.000 1.280 398 C CA 0.544 59.492 59.018 -0.116 0.000 1.744 398 C CB -0.561 27.028 27.740 -0.252 0.000 1.989 398 C HN 0.491 nan 8.230 nan 0.000 0.491 399 K N 1.328 121.698 120.400 -0.050 0.000 2.074 399 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 399 K C 1.647 178.291 176.600 0.074 0.000 1.048 399 K CA 1.758 58.043 56.287 -0.003 0.000 0.926 399 K CB -0.202 32.247 32.500 -0.085 0.000 0.713 399 K HN 0.476 nan 8.250 nan 0.000 0.444 400 N N -0.252 118.495 118.700 0.078 0.000 2.364 400 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 400 N C 1.229 176.789 175.510 0.083 0.000 1.022 400 N CA 1.449 54.542 53.050 0.073 0.000 0.883 400 N CB -0.110 38.416 38.487 0.066 0.000 0.965 400 N HN 0.531 nan 8.380 nan 0.000 0.438 401 G N 0.846 109.741 108.800 0.158 0.000 2.159 401 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.256 401 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.256 401 G C -0.016 174.801 174.900 -0.139 0.000 0.977 401 G CA 0.365 45.431 45.100 -0.056 0.000 0.652 401 G HN 0.458 nan 8.290 nan 0.000 0.531 402 D N 1.214 121.685 120.400 0.118 0.000 2.994 402 D HA 0.429 5.069 4.640 -0.000 0.000 0.240 402 D C 0.686 177.133 176.300 0.245 0.000 1.195 402 D CA -0.187 53.877 54.000 0.107 0.000 0.957 402 D CB -0.576 40.289 40.800 0.108 0.000 1.105 402 D HN 0.576 nan 8.370 nan 0.000 0.477 403 W N 0.493 121.807 121.300 0.023 0.000 3.275 403 W HA 0.307 4.965 4.660 -0.003 0.000 0.306 403 W C -0.828 175.719 176.519 0.046 0.000 1.259 403 W CA -0.672 56.697 57.345 0.041 0.000 1.194 403 W CB 0.304 29.787 29.460 0.038 0.000 1.375 403 W HN -0.260 nan 8.180 nan 0.000 0.564 404 D N 0.750 121.357 120.400 0.345 0.000 2.490 404 D HA 0.176 4.816 4.640 -0.000 0.000 0.244 404 D C -0.233 176.243 176.300 0.293 0.000 0.979 404 D CA 1.101 55.228 54.000 0.212 0.000 0.924 404 D CB 0.736 41.739 40.800 0.338 0.000 1.075 404 D HN 0.050 nan 8.370 nan 0.000 0.488 405 F N 0.706 120.931 119.950 0.459 0.000 2.520 405 F HA 0.373 4.900 4.527 -0.001 0.000 0.322 405 F C -0.101 175.807 175.800 0.179 0.000 1.103 405 F CA -1.020 57.205 58.000 0.375 0.000 0.926 405 F CB 2.493 41.627 39.000 0.224 0.000 1.154 405 F HN -0.415 nan 8.300 nan 0.000 0.453 406 V N 5.213 125.151 119.914 0.041 0.000 2.370 406 V HA 0.351 4.471 4.120 -0.000 0.000 0.279 406 V C -0.221 175.794 176.094 -0.132 0.000 1.029 406 V CA -0.598 61.503 62.300 -0.333 0.000 0.870 406 V CB 1.226 32.536 31.823 -0.854 0.000 0.984 406 V HN 0.397 nan 8.190 nan 0.000 0.451 407 I N 4.598 125.099 120.570 -0.115 0.000 2.339 407 I HA 0.471 4.641 4.170 -0.000 0.000 0.290 407 I C 0.195 176.211 176.117 -0.169 0.000 0.994 407 I CA 0.167 61.383 61.300 -0.139 0.000 1.191 407 I CB 1.291 39.165 38.000 -0.210 0.000 1.343 407 I HN 0.610 nan 8.210 nan 0.000 0.458 408 T N 4.330 118.764 114.554 -0.199 0.000 2.909 408 T HA 0.561 4.911 4.350 -0.000 0.000 0.299 408 T C 0.158 174.828 174.700 -0.051 0.000 1.073 408 T CA -0.326 61.673 62.100 -0.168 0.000 0.999 408 T CB 1.401 70.090 68.868 -0.298 0.000 1.098 408 T HN 0.785 nan 8.240 nan 0.000 0.477 409 T N 0.961 115.545 114.554 0.049 0.000 2.771 409 T HA 0.237 4.586 4.350 -0.000 0.000 0.290 409 T C 1.296 176.172 174.700 0.292 0.000 1.005 409 T CA 0.278 62.467 62.100 0.148 0.000 0.944 409 T CB 0.196 69.117 68.868 0.089 0.000 1.147 409 T HN 0.701 nan 8.240 nan 0.000 0.534 410 D N -0.387 120.179 120.400 0.277 0.000 2.354 410 D HA -0.146 4.494 4.640 -0.000 0.000 0.216 410 D C 1.635 178.038 176.300 0.171 0.000 0.970 410 D CA 0.372 54.530 54.000 0.263 0.000 0.905 410 D CB -0.639 40.254 40.800 0.155 0.000 0.903 410 D HN 0.419 nan 8.370 nan 0.000 0.508 411 I N 0.668 121.284 120.570 0.077 0.000 2.423 411 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 411 I C 1.644 177.626 176.117 -0.225 0.000 1.151 411 I CA 0.919 62.130 61.300 -0.148 0.000 1.421 411 I CB -0.301 37.566 38.000 -0.221 0.000 1.079 411 I HN -0.127 nan 8.210 nan 0.000 0.431 412 S N 0.070 115.837 115.700 0.111 0.000 2.607 412 S HA -0.016 4.454 4.470 -0.000 0.000 0.224 412 S C 1.468 176.238 174.600 0.284 0.000 0.969 412 S CA 0.273 58.623 58.200 0.249 0.000 0.927 412 S CB -0.416 63.069 63.200 0.474 0.000 0.772 412 S HN 0.552 nan 8.310 nan 0.000 0.533 413 E N 0.333 120.654 120.200 0.201 0.000 2.511 413 E HA 0.091 4.441 4.350 -0.000 0.000 0.196 413 E C 0.185 176.833 176.600 0.080 0.000 1.066 413 E CA 0.408 56.886 56.400 0.129 0.000 0.871 413 E CB -0.030 29.725 29.700 0.092 0.000 0.863 413 E HN 0.323 nan 8.360 nan 0.000 0.520 414 M N -0.369 119.133 119.600 -0.162 0.000 2.866 414 M HA 0.239 4.719 4.480 -0.000 0.000 0.319 414 M C 0.509 176.648 176.300 -0.268 0.000 1.244 414 M CA -0.049 55.047 55.300 -0.340 0.000 0.974 414 M CB 1.178 33.274 32.600 -0.840 0.000 1.291 414 M HN 0.117 nan 8.290 nan 0.000 0.513 415 G N -0.971 107.753 108.800 -0.127 0.000 2.175 415 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.182 415 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.182 415 G C 0.219 175.028 174.900 -0.150 0.000 1.003 415 G CA -0.238 44.798 45.100 -0.107 0.000 0.666 415 G HN 0.779 nan 8.290 nan 0.000 0.506 416 A N -0.021 122.678 122.820 -0.202 0.000 2.511 416 A HA 0.569 4.889 4.320 -0.000 0.000 0.242 416 A C 0.338 177.726 177.584 -0.326 0.000 1.069 416 A CA 0.705 52.498 52.037 -0.407 0.000 0.763 416 A CB 0.009 18.753 19.000 -0.428 0.000 1.001 416 A HN 0.624 nan 8.150 nan 0.000 0.498 417 N N 1.378 119.920 118.700 -0.263 0.000 2.524 417 N HA 0.539 5.279 4.740 -0.000 0.000 0.261 417 N C -1.530 173.893 175.510 -0.146 0.000 0.998 417 N CA -0.200 52.784 53.050 -0.109 0.000 0.915 417 N CB 1.233 39.737 38.487 0.029 0.000 1.187 417 N HN 0.510 nan 8.380 nan 0.000 0.507 418 F N -0.104 120.007 119.950 0.268 0.000 2.470 418 F HA 0.496 5.022 4.527 -0.002 0.000 0.329 418 F C 1.481 177.440 175.800 0.265 0.000 1.072 418 F CA -1.077 57.107 58.000 0.306 0.000 0.989 418 F CB 1.362 40.576 39.000 0.357 0.000 1.193 418 F HN 0.430 nan 8.300 nan 0.000 0.481 419 G N 1.055 110.138 108.800 0.471 0.000 3.741 419 G HA2 0.501 4.461 3.960 -0.000 0.000 0.263 419 G HA3 0.501 4.461 3.960 -0.000 0.000 0.263 419 G C -0.247 174.771 174.900 0.196 0.000 1.175 419 G CA -0.094 45.156 45.100 0.250 0.000 1.642 419 G HN 0.771 nan 8.290 nan 0.000 0.644 420 A N 0.075 123.072 122.820 0.295 0.000 2.281 420 A HA 0.743 5.062 4.320 -0.000 0.000 0.329 420 A C 1.174 178.873 177.584 0.192 0.000 1.122 420 A CA 0.105 52.275 52.037 0.223 0.000 0.850 420 A CB 1.301 20.502 19.000 0.334 0.000 1.207 420 A HN 0.715 nan 8.150 nan 0.000 0.495 421 S N -0.482 115.329 115.700 0.184 0.000 2.526 421 S HA 0.286 4.756 4.470 -0.000 0.000 0.220 421 S C 0.499 175.241 174.600 0.237 0.000 1.017 421 S CA -0.106 58.223 58.200 0.215 0.000 0.930 421 S CB 0.022 63.354 63.200 0.221 0.000 0.856 421 S HN 0.761 nan 8.310 nan 0.000 0.497 422 R N 0.661 121.271 120.500 0.183 0.000 2.621 422 R HA 0.668 5.008 4.340 -0.000 0.000 0.284 422 R C -2.115 174.265 176.300 0.134 0.000 0.998 422 R CA -0.447 55.703 56.100 0.084 0.000 0.895 422 R CB 2.086 32.210 30.300 -0.292 0.000 1.195 422 R HN 0.134 nan 8.270 nan 0.000 0.450 423 V N 6.036 126.092 119.914 0.237 0.000 2.459 423 V HA 0.465 4.585 4.120 -0.000 0.000 0.295 423 V C 0.024 176.248 176.094 0.216 0.000 1.029 423 V CA -0.660 61.823 62.300 0.304 0.000 0.874 423 V CB 1.772 33.911 31.823 0.527 0.000 0.985 423 V HN 0.668 nan 8.190 nan 0.000 0.438 424 I N 3.970 124.603 120.570 0.105 0.000 2.377 424 I HA 0.451 4.620 4.170 -0.000 0.000 0.293 424 I C -0.825 175.321 176.117 0.048 0.000 0.987 424 I CA -0.183 61.052 61.300 -0.109 0.000 1.185 424 I CB 1.725 39.341 38.000 -0.641 0.000 1.341 424 I HN 0.559 nan 8.210 nan 0.000 0.455 425 D N 5.266 125.678 120.400 0.020 0.000 2.542 425 D HA 0.178 4.818 4.640 -0.000 0.000 0.252 425 D C 0.694 177.074 176.300 0.134 0.000 1.222 425 D CA -0.680 53.438 54.000 0.197 0.000 0.895 425 D CB 1.462 42.401 40.800 0.232 0.000 1.207 425 D HN 0.678 nan 8.370 nan 0.000 0.558 426 C N 3.385 122.819 119.300 0.224 0.000 2.430 426 C HA 0.159 4.618 4.460 -0.000 0.000 0.288 426 C C 1.267 176.349 174.990 0.154 0.000 1.448 426 C CA -0.211 58.920 59.018 0.189 0.000 1.784 426 C CB -0.790 27.101 27.740 0.251 0.000 1.776 426 C HN 0.767 nan 8.230 nan 0.000 0.547 427 R N 0.295 120.890 120.500 0.158 0.000 3.878 427 R HA -0.133 4.207 4.340 -0.000 0.000 0.330 427 R C -0.478 175.880 176.300 0.098 0.000 1.186 427 R CA 1.168 57.342 56.100 0.124 0.000 0.885 427 R CB -2.025 28.358 30.300 0.139 0.000 1.377 427 R HN 0.773 nan 8.270 nan 0.000 0.523 428 K N -0.187 120.279 120.400 0.110 0.000 2.480 428 K HA 0.594 4.913 4.320 -0.000 0.000 0.258 428 K C -0.432 176.221 176.600 0.087 0.000 0.990 428 K CA -0.357 55.983 56.287 0.087 0.000 0.857 428 K CB 2.370 34.921 32.500 0.085 0.000 1.384 428 K HN 0.142 nan 8.250 nan 0.000 0.446 429 S N -0.899 114.836 115.700 0.059 0.000 2.537 429 S HA 0.410 4.880 4.470 -0.000 0.000 0.270 429 S C -0.818 173.794 174.600 0.019 0.000 1.142 429 S CA -0.908 57.320 58.200 0.048 0.000 0.870 429 S CB 1.340 64.565 63.200 0.041 0.000 1.112 429 S HN 0.193 nan 8.310 nan 0.000 0.466 430 V N 2.354 122.272 119.914 0.007 0.000 2.555 430 V HA 0.385 4.505 4.120 -0.000 0.000 0.286 430 V C -0.091 175.972 176.094 -0.052 0.000 1.044 430 V CA -0.069 62.219 62.300 -0.020 0.000 1.026 430 V CB 0.704 32.513 31.823 -0.023 0.000 0.981 430 V HN 0.858 nan 8.190 nan 0.000 0.480 431 K N 7.019 127.376 120.400 -0.072 0.000 2.274 431 K HA 0.464 4.784 4.320 -0.000 0.000 0.262 431 K C -2.599 173.913 176.600 -0.147 0.000 0.961 431 K CA -1.760 54.452 56.287 -0.125 0.000 0.833 431 K CB 1.636 34.074 32.500 -0.104 0.000 1.102 431 K HN 0.379 nan 8.250 nan 0.000 0.436 432 P HA 0.107 nan 4.420 nan 0.000 0.275 432 P C -0.888 176.292 177.300 -0.201 0.000 1.227 432 P CA -0.370 62.612 63.100 -0.196 0.000 0.781 432 P CB 1.066 32.647 31.700 -0.198 0.000 0.906 433 T N 2.849 117.292 114.554 -0.184 0.000 2.912 433 T HA 0.478 4.828 4.350 -0.000 0.000 0.299 433 T C 0.117 174.680 174.700 -0.229 0.000 1.052 433 T CA -0.435 61.565 62.100 -0.166 0.000 0.996 433 T CB 0.950 69.754 68.868 -0.107 0.000 1.070 433 T HN 0.201 nan 8.240 nan 0.000 0.465 434 I N 3.139 123.568 120.570 -0.235 0.000 2.325 434 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 434 I C -0.292 175.724 176.117 -0.167 0.000 1.019 434 I CA -0.604 60.499 61.300 -0.328 0.000 1.302 434 I CB 0.607 38.419 38.000 -0.313 0.000 1.401 434 I HN 0.314 nan 8.210 nan 0.000 0.485 435 L N 6.353 127.483 121.223 -0.155 0.000 2.309 435 L HA 0.444 4.784 4.340 -0.000 0.000 0.282 435 L C -0.559 176.317 176.870 0.010 0.000 1.036 435 L CA -0.445 54.365 54.840 -0.050 0.000 0.806 435 L CB 1.257 43.294 42.059 -0.035 0.000 1.220 435 L HN 0.697 nan 8.230 nan 0.000 0.429 436 D N 0.522 120.951 120.400 0.048 0.000 3.256 436 D HA 0.146 4.786 4.640 -0.000 0.000 0.332 436 D C -0.223 176.132 176.300 0.091 0.000 1.327 436 D CA -0.570 53.489 54.000 0.099 0.000 0.735 436 D CB 0.394 41.266 40.800 0.121 0.000 1.280 436 D HN 0.630 nan 8.370 nan 0.000 0.572 437 E N 0.583 120.830 120.200 0.078 0.000 2.266 437 E HA -0.162 4.188 4.350 -0.000 0.000 0.209 437 E C 1.168 177.837 176.600 0.114 0.000 1.286 437 E CA 0.413 56.863 56.400 0.083 0.000 0.677 437 E CB -1.249 28.493 29.700 0.071 0.000 1.173 437 E HN 0.916 nan 8.360 nan 0.000 0.384 438 G N 2.028 110.891 108.800 0.104 0.000 2.704 438 G HA2 -0.545 3.415 3.960 -0.000 0.000 0.344 438 G HA3 -0.545 3.415 3.960 -0.000 0.000 0.344 438 G C 0.807 175.806 174.900 0.165 0.000 1.200 438 G CA 1.566 46.736 45.100 0.115 0.000 0.962 438 G HN 0.798 nan 8.290 nan 0.000 0.552 439 E N 0.875 121.195 120.200 0.200 0.000 2.110 439 E HA 0.314 4.664 4.350 -0.000 0.000 0.193 439 E C 1.373 178.220 176.600 0.412 0.000 0.988 439 E CA 1.035 57.619 56.400 0.307 0.000 0.804 439 E CB -0.373 29.513 29.700 0.310 0.000 0.745 439 E HN 2.346 nan 8.360 nan 0.000 0.458 440 G N 1.196 110.214 108.800 0.364 0.000 2.788 440 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 440 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 440 G C -0.817 174.356 174.900 0.456 0.000 1.147 440 G CA -0.367 44.990 45.100 0.429 0.000 0.755 440 G HN 0.511 nan 8.290 nan 0.000 0.634 441 R N -0.723 119.840 120.500 0.106 0.000 2.781 441 R HA 0.817 5.157 4.340 -0.000 0.000 0.269 441 R C -1.448 174.521 176.300 -0.552 0.000 1.025 441 R CA -1.070 54.979 56.100 -0.084 0.000 0.914 441 R CB 1.722 32.070 30.300 0.080 0.000 1.236 441 R HN 0.790 nan 8.270 nan 0.000 0.465 442 V N 2.728 122.288 119.914 -0.590 0.000 2.384 442 V HA 0.406 4.526 4.120 -0.000 0.000 0.287 442 V C 0.245 176.199 176.094 -0.233 0.000 1.020 442 V CA -0.698 61.298 62.300 -0.507 0.000 0.850 442 V CB 1.198 32.673 31.823 -0.580 0.000 0.987 442 V HN 0.673 nan 8.190 nan 0.000 0.436 443 I N 2.895 123.355 120.570 -0.183 0.000 2.676 443 I HA 0.671 4.841 4.170 -0.000 0.000 0.309 443 I C -0.700 175.340 176.117 -0.128 0.000 0.990 443 I CA -0.849 60.382 61.300 -0.115 0.000 1.168 443 I CB 1.547 39.508 38.000 -0.065 0.000 1.343 443 I HN 0.330 nan 8.210 nan 0.000 0.482 444 L N 3.770 124.928 121.223 -0.108 0.000 2.272 444 L HA 0.383 4.723 4.340 -0.000 0.000 0.289 444 L C 0.647 177.478 176.870 -0.064 0.000 1.032 444 L CA -0.474 54.307 54.840 -0.100 0.000 0.810 444 L CB 1.664 43.660 42.059 -0.106 0.000 1.205 444 L HN 0.931 nan 8.230 nan 0.000 0.422 445 S N 2.637 118.301 115.700 -0.060 0.000 2.589 445 S HA 0.295 4.764 4.470 -0.000 0.000 0.265 445 S C 0.299 174.887 174.600 -0.020 0.000 1.342 445 S CA -0.952 57.226 58.200 -0.036 0.000 1.005 445 S CB 1.217 64.397 63.200 -0.034 0.000 0.909 445 S HN 0.449 nan 8.310 nan 0.000 0.555 446 V N -1.727 118.184 119.914 -0.006 0.000 2.999 446 V HA 0.394 4.514 4.120 -0.000 0.000 0.307 446 V C -2.587 173.512 176.094 0.009 0.000 1.084 446 V CA -1.875 60.428 62.300 0.006 0.000 1.155 446 V CB -1.000 30.831 31.823 0.014 0.000 0.975 446 V HN 0.785 nan 8.190 nan 0.000 0.490 447 P HA 0.214 nan 4.420 nan 0.000 0.264 447 P C -0.378 176.940 177.300 0.031 0.000 1.193 447 P CA 0.522 63.639 63.100 0.028 0.000 0.763 447 P CB 0.440 32.166 31.700 0.043 0.000 0.810 448 S N 1.693 117.410 115.700 0.029 0.000 2.627 448 S HA 0.782 5.252 4.470 -0.000 0.000 0.283 448 S C -0.531 174.090 174.600 0.036 0.000 1.127 448 S CA -1.078 57.140 58.200 0.030 0.000 0.863 448 S CB 1.421 64.633 63.200 0.020 0.000 1.121 448 S HN 0.457 nan 8.310 nan 0.000 0.479 449 A N 1.647 124.489 122.820 0.038 0.000 2.565 449 A HA 0.421 4.741 4.320 -0.000 0.000 0.237 449 A C 0.650 178.253 177.584 0.032 0.000 1.053 449 A CA -0.274 51.787 52.037 0.040 0.000 0.755 449 A CB -0.936 18.086 19.000 0.037 0.000 0.980 449 A HN 1.171 nan 8.150 nan 0.000 0.506 450 I N 0.278 120.867 120.570 0.031 0.000 2.970 450 I HA 0.610 4.780 4.170 -0.000 0.000 0.310 450 I C 0.794 176.915 176.117 0.006 0.000 1.010 450 I CA -0.346 60.966 61.300 0.020 0.000 1.228 450 I CB 0.986 38.995 38.000 0.014 0.000 1.433 450 I HN 0.706 nan 8.210 nan 0.000 0.573 451 T N 0.145 114.702 114.554 0.005 0.000 2.828 451 T HA 0.128 4.478 4.350 -0.000 0.000 0.290 451 T C 1.279 175.949 174.700 -0.050 0.000 1.019 451 T CA -0.105 61.991 62.100 -0.006 0.000 1.031 451 T CB 1.192 70.073 68.868 0.021 0.000 1.001 451 T HN 0.874 nan 8.240 nan 0.000 0.531 452 S N 1.218 116.878 115.700 -0.067 0.000 2.382 452 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 452 S C 2.398 176.914 174.600 -0.140 0.000 1.027 452 S CA 0.750 58.875 58.200 -0.125 0.000 0.991 452 S CB -1.236 61.895 63.200 -0.116 0.000 0.823 452 S HN 1.055 nan 8.310 nan 0.000 0.469 453 A N 1.603 124.370 122.820 -0.088 0.000 1.877 453 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 453 A C 2.488 180.001 177.584 -0.119 0.000 1.186 453 A CA 2.005 53.987 52.037 -0.092 0.000 0.620 453 A CB -1.460 17.520 19.000 -0.032 0.000 0.822 453 A HN 0.608 nan 8.150 nan 0.000 0.443 454 S N -0.442 115.210 115.700 -0.080 0.000 2.368 454 S HA -0.038 4.432 4.470 -0.000 0.000 0.225 454 S C 2.203 176.703 174.600 -0.168 0.000 1.030 454 S CA 1.581 59.726 58.200 -0.092 0.000 0.999 454 S CB -0.529 62.647 63.200 -0.039 0.000 0.844 454 S HN 0.850 nan 8.310 nan 0.000 0.459 455 A N 1.418 124.141 122.820 -0.162 0.000 1.908 455 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 455 A C 2.466 179.864 177.584 -0.310 0.000 1.181 455 A CA 2.042 53.962 52.037 -0.195 0.000 0.627 455 A CB -1.406 17.474 19.000 -0.200 0.000 0.818 455 A HN 0.795 nan 8.150 nan 0.000 0.445 456 A N -1.298 121.336 122.820 -0.309 0.000 1.933 456 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 456 A C 2.129 179.557 177.584 -0.259 0.000 1.175 456 A CA 1.579 53.428 52.037 -0.315 0.000 0.628 456 A CB -0.431 18.425 19.000 -0.241 0.000 0.814 456 A HN 0.528 nan 8.150 nan 0.000 0.444 457 Q N -0.281 119.378 119.800 -0.235 0.000 2.119 457 Q HA -0.127 4.213 4.340 -0.000 0.000 0.201 457 Q C 2.260 178.143 176.000 -0.195 0.000 0.972 457 Q CA 1.386 57.071 55.803 -0.197 0.000 0.847 457 Q CB -0.304 28.312 28.738 -0.203 0.000 0.903 457 Q HN 0.703 nan 8.270 nan 0.000 0.433 458 R N 0.287 120.576 120.500 -0.353 0.000 2.066 458 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 458 R C 2.398 178.632 176.300 -0.109 0.000 1.131 458 R CA 1.123 56.887 56.100 -0.559 0.000 0.955 458 R CB -0.319 29.474 30.300 -0.844 0.000 0.851 458 R HN 0.131 nan 8.270 nan 0.000 0.432 459 R N 0.661 120.984 120.500 -0.295 0.000 2.127 459 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 459 R C 1.980 178.193 176.300 -0.145 0.000 1.134 459 R CA 1.630 57.434 56.100 -0.494 0.000 0.975 459 R CB -0.400 29.212 30.300 -1.146 0.000 0.865 459 R HN 0.312 nan 8.270 nan 0.000 0.447 460 G N 0.096 108.837 108.800 -0.100 0.000 2.776 460 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.209 460 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.209 460 G C 1.012 175.977 174.900 0.108 0.000 1.145 460 G CA -0.211 44.883 45.100 -0.009 0.000 0.791 460 G HN 0.174 nan 8.290 nan 0.000 0.530 461 R N -0.017 120.611 120.500 0.213 0.000 2.189 461 R HA 0.033 4.373 4.340 -0.000 0.000 0.223 461 R C 1.293 177.773 176.300 0.300 0.000 1.092 461 R CA 0.637 56.948 56.100 0.351 0.000 0.989 461 R CB -1.029 29.619 30.300 0.580 0.000 0.876 461 R HN 0.477 nan 8.270 nan 0.000 0.457 462 V N -5.575 114.473 119.914 0.224 0.000 3.181 462 V HA 0.851 4.971 4.120 -0.000 0.000 0.314 462 V C 1.000 177.169 176.094 0.124 0.000 1.173 462 V CA -0.473 61.942 62.300 0.192 0.000 1.052 462 V CB 1.350 33.305 31.823 0.218 0.000 1.123 462 V HN 0.283 nan 8.190 nan 0.000 0.454 463 G N 0.646 109.514 108.800 0.114 0.000 2.143 463 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 463 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 463 G C 0.724 175.661 174.900 0.062 0.000 0.991 463 G CA 0.774 45.919 45.100 0.074 0.000 0.689 463 G HN 0.874 nan 8.290 nan 0.000 0.522 464 R N -0.614 119.936 120.500 0.082 0.000 2.223 464 R HA 0.092 4.432 4.340 -0.000 0.000 0.198 464 R C 0.663 177.002 176.300 0.065 0.000 0.984 464 R CA 0.562 56.706 56.100 0.074 0.000 1.018 464 R CB 0.145 30.500 30.300 0.093 0.000 0.945 464 R HN 0.266 nan 8.270 nan 0.000 0.479 465 N N 0.933 119.674 118.700 0.068 0.000 2.511 465 N HA 0.158 4.898 4.740 -0.000 0.000 0.249 465 N C -2.248 173.292 175.510 0.050 0.000 0.971 465 N CA -2.476 50.609 53.050 0.059 0.000 0.938 465 N CB 1.754 40.280 38.487 0.066 0.000 1.131 465 N HN -0.245 nan 8.380 nan 0.000 0.505 466 P HA -0.124 nan 4.420 nan 0.000 0.218 466 P C 0.949 178.269 177.300 0.033 0.000 1.146 466 P CA 1.178 64.297 63.100 0.033 0.000 0.813 466 P CB 0.245 31.962 31.700 0.027 0.000 0.778 467 S N -2.378 113.342 115.700 0.034 0.000 2.603 467 S HA -0.030 4.439 4.470 -0.000 0.000 0.220 467 S C 0.920 175.542 174.600 0.036 0.000 0.967 467 S CA -0.100 58.118 58.200 0.031 0.000 0.920 467 S CB -0.636 62.580 63.200 0.027 0.000 0.773 467 S HN 0.155 nan 8.310 nan 0.000 0.529 468 Q N 1.641 121.469 119.800 0.046 0.000 2.381 468 Q HA 0.548 4.888 4.340 -0.000 0.000 0.263 468 Q C -0.554 175.487 176.000 0.068 0.000 1.030 468 Q CA -0.803 55.033 55.803 0.055 0.000 0.772 468 Q CB 0.919 29.695 28.738 0.064 0.000 1.232 468 Q HN 0.718 nan 8.270 nan 0.000 0.476 469 I N -0.132 120.479 120.570 0.068 0.000 2.664 469 I HA 0.831 5.001 4.170 -0.000 0.000 0.308 469 I C 0.766 176.954 176.117 0.118 0.000 0.984 469 I CA 0.063 61.417 61.300 0.090 0.000 1.213 469 I CB 1.578 39.624 38.000 0.078 0.000 1.379 469 I HN 0.740 nan 8.210 nan 0.000 0.501 470 G N 2.463 111.373 108.800 0.184 0.000 2.141 470 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.231 470 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.231 470 G C -0.298 174.735 174.900 0.221 0.000 0.984 470 G CA 0.004 45.224 45.100 0.201 0.000 0.660 470 G HN 0.803 nan 8.290 nan 0.000 0.525 471 D N 1.115 121.650 120.400 0.225 0.000 2.472 471 D HA 0.432 5.072 4.640 -0.000 0.000 0.237 471 D C 0.745 177.196 176.300 0.252 0.000 1.141 471 D CA 0.735 54.866 54.000 0.219 0.000 0.875 471 D CB 0.634 41.544 40.800 0.183 0.000 1.192 471 D HN 0.576 nan 8.370 nan 0.000 0.450 472 E N 0.443 120.775 120.200 0.220 0.000 2.238 472 E HA 0.351 4.701 4.350 -0.000 0.000 0.267 472 E C -1.173 175.561 176.600 0.222 0.000 0.887 472 E CA -0.944 55.560 56.400 0.173 0.000 0.769 472 E CB 2.179 31.958 29.700 0.132 0.000 1.187 472 E HN 0.347 nan 8.360 nan 0.000 0.416 473 Y N 1.875 122.181 120.300 0.010 0.000 2.327 473 Y HA 0.337 4.886 4.550 -0.001 0.000 0.325 473 Y C -1.526 174.374 175.900 -0.001 0.000 0.999 473 Y CA -0.725 57.433 58.100 0.096 0.000 1.195 473 Y CB 0.750 39.310 38.460 0.167 0.000 1.132 473 Y HN 0.569 nan 8.280 nan 0.000 0.455 474 H N 5.940 124.812 119.070 -0.331 0.000 2.519 474 H HA 0.382 4.937 4.556 -0.000 0.000 0.316 474 H C -1.321 173.714 175.328 -0.489 0.000 1.065 474 H CA -0.338 55.494 56.048 -0.360 0.000 1.264 474 H CB 0.599 30.235 29.762 -0.211 0.000 1.413 474 H HN 0.629 nan 8.280 nan 0.000 0.465 475 Y N -0.434 119.638 120.300 -0.379 0.000 2.376 475 Y HA 0.561 5.111 4.550 -0.001 0.000 0.340 475 Y C 0.714 176.569 175.900 -0.074 0.000 0.965 475 Y CA -1.357 56.580 58.100 -0.272 0.000 1.078 475 Y CB 1.418 39.786 38.460 -0.154 0.000 1.193 475 Y HN 0.647 nan 8.280 nan 0.000 0.452 476 G N 1.060 109.896 108.800 0.061 0.000 3.233 476 G HA2 0.501 4.461 3.960 -0.000 0.000 0.234 476 G HA3 0.501 4.461 3.960 -0.000 0.000 0.234 476 G C 0.142 175.092 174.900 0.084 0.000 1.137 476 G CA 0.080 45.200 45.100 0.033 0.000 0.763 476 G HN 1.247 nan 8.290 nan 0.000 0.549 477 G N -1.751 107.148 108.800 0.165 0.000 2.349 477 G HA2 0.542 4.501 3.960 -0.000 0.000 0.294 477 G HA3 0.542 4.501 3.960 -0.000 0.000 0.294 477 G C -0.118 174.899 174.900 0.196 0.000 1.380 477 G CA 0.055 45.247 45.100 0.155 0.000 0.811 477 G HN 0.516 nan 8.290 nan 0.000 0.519 478 G N -1.183 107.698 108.800 0.135 0.000 2.563 478 G HA2 0.679 4.639 3.960 -0.000 0.000 0.283 478 G HA3 0.679 4.639 3.960 -0.000 0.000 0.283 478 G C 0.390 175.326 174.900 0.059 0.000 1.309 478 G CA 0.689 45.852 45.100 0.104 0.000 1.022 478 G HN 1.495 nan 8.290 nan 0.000 0.501 479 T N -3.219 111.349 114.554 0.023 0.000 2.942 479 T HA 0.668 5.018 4.350 -0.000 0.000 0.289 479 T C -0.373 174.330 174.700 0.006 0.000 1.044 479 T CA -0.579 61.520 62.100 -0.002 0.000 1.023 479 T CB 1.845 70.683 68.868 -0.049 0.000 1.123 479 T HN 0.964 nan 8.240 nan 0.000 0.512 480 S N -0.320 115.383 115.700 0.006 0.000 2.546 480 S HA 0.372 4.842 4.470 -0.000 0.000 0.272 480 S C 0.023 174.630 174.600 0.010 0.000 1.140 480 S CA -0.662 57.544 58.200 0.010 0.000 0.920 480 S CB 1.724 64.935 63.200 0.017 0.000 1.083 480 S HN 0.692 nan 8.310 nan 0.000 0.476 481 E N 1.697 121.901 120.200 0.006 0.000 2.478 481 E HA 0.079 4.429 4.350 -0.000 0.000 0.194 481 E C -0.285 176.325 176.600 0.017 0.000 1.045 481 E CA 0.239 56.644 56.400 0.009 0.000 0.868 481 E CB -0.018 29.679 29.700 -0.005 0.000 0.885 481 E HN 0.654 nan 8.360 nan 0.000 0.505 482 D N 2.238 122.648 120.400 0.016 0.000 2.422 482 D HA 0.002 4.642 4.640 -0.000 0.000 0.227 482 D C -0.196 176.132 176.300 0.047 0.000 1.190 482 D CA -0.151 53.859 54.000 0.017 0.000 0.905 482 D CB 0.333 41.138 40.800 0.008 0.000 1.034 482 D HN -0.089 nan 8.370 nan 0.000 0.507 483 D N 0.830 121.282 120.400 0.086 0.000 2.538 483 D HA -0.059 4.581 4.640 -0.000 0.000 0.231 483 D C 1.282 177.739 176.300 0.262 0.000 1.229 483 D CA -0.124 53.980 54.000 0.172 0.000 0.828 483 D CB -0.403 40.545 40.800 0.248 0.000 1.035 483 D HN 0.292 nan 8.370 nan 0.000 0.495 484 T N -1.323 113.292 114.554 0.101 0.000 2.977 484 T HA -0.204 4.146 4.350 -0.000 0.000 0.271 484 T C 1.748 176.535 174.700 0.146 0.000 1.105 484 T CA 1.023 63.143 62.100 0.034 0.000 1.116 484 T CB -0.651 68.186 68.868 -0.051 0.000 0.878 484 T HN 0.402 nan 8.240 nan 0.000 0.509 485 M N -0.382 119.294 119.600 0.126 0.000 2.561 485 M HA 0.452 4.932 4.480 -0.000 0.000 0.238 485 M C 0.482 176.820 176.300 0.063 0.000 1.131 485 M CA -0.255 55.093 55.300 0.080 0.000 1.046 485 M CB -0.417 32.201 32.600 0.029 0.000 1.532 485 M HN 0.062 nan 8.290 nan 0.000 0.497 486 L N 2.125 123.421 121.223 0.121 0.000 2.455 486 L HA 0.299 4.639 4.340 -0.000 0.000 0.272 486 L C 1.383 178.183 176.870 -0.118 0.000 1.174 486 L CA 0.253 55.033 54.840 -0.100 0.000 0.869 486 L CB 0.966 42.874 42.059 -0.252 0.000 1.130 486 L HN 0.356 nan 8.230 nan 0.000 0.474 487 A N 3.714 126.400 122.820 -0.224 0.000 2.019 487 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 487 A C 1.952 179.495 177.584 -0.069 0.000 1.164 487 A CA 1.720 53.678 52.037 -0.132 0.000 0.644 487 A CB -1.074 17.832 19.000 -0.155 0.000 0.805 487 A HN 1.015 nan 8.150 nan 0.000 0.449 488 H N -2.321 116.571 119.070 -0.296 0.000 2.422 488 H HA -0.239 4.317 4.556 -0.000 0.000 0.298 488 H C 1.887 177.019 175.328 -0.327 0.000 1.098 488 H CA 1.378 57.191 56.048 -0.392 0.000 1.315 488 H CB -0.126 29.278 29.762 -0.597 0.000 1.382 488 H HN 0.797 nan 8.280 nan 0.000 0.523 489 W N 0.553 121.887 121.300 0.057 0.000 2.379 489 W HA -0.145 4.516 4.660 0.000 0.000 0.307 489 W C 2.644 179.168 176.519 0.007 0.000 1.200 489 W CA 1.005 58.364 57.345 0.024 0.000 1.297 489 W CB -0.500 28.970 29.460 0.016 0.000 1.140 489 W HN -0.028 nan 8.180 nan 0.000 0.507 490 T N 0.353 115.029 114.554 0.203 0.000 2.746 490 T HA -0.188 4.161 4.350 -0.000 0.000 0.267 490 T C 1.361 176.002 174.700 -0.100 0.000 1.039 490 T CA 1.669 63.803 62.100 0.057 0.000 1.142 490 T CB -0.316 68.575 68.868 0.038 0.000 0.866 490 T HN 0.223 nan 8.240 nan 0.000 0.444 491 E N 1.018 121.184 120.200 -0.057 0.000 2.110 491 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 491 E C 2.575 179.125 176.600 -0.084 0.000 0.988 491 E CA 0.888 57.236 56.400 -0.086 0.000 0.804 491 E CB -0.219 29.469 29.700 -0.020 0.000 0.745 491 E HN 0.468 nan 8.360 nan 0.000 0.458 492 A N 2.452 125.245 122.820 -0.044 0.000 1.908 492 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 492 A C 2.079 179.672 177.584 0.015 0.000 1.181 492 A CA 2.126 54.152 52.037 -0.018 0.000 0.627 492 A CB -0.514 18.510 19.000 0.040 0.000 0.818 492 A HN 0.268 nan 8.150 nan 0.000 0.445 493 K N -0.588 119.830 120.400 0.030 0.000 2.365 493 K HA 0.167 4.487 4.320 -0.000 0.000 0.197 493 K C 1.623 178.229 176.600 0.010 0.000 1.042 493 K CA 1.009 57.344 56.287 0.080 0.000 0.987 493 K CB -0.340 32.278 32.500 0.197 0.000 0.779 493 K HN 0.447 nan 8.250 nan 0.000 0.484 494 I N 1.440 121.849 120.570 -0.268 0.000 2.179 494 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 494 I C 2.043 178.167 176.117 0.012 0.000 1.088 494 I CA 0.848 61.924 61.300 -0.373 0.000 1.357 494 I CB -0.261 37.355 38.000 -0.641 0.000 1.051 494 I HN 0.120 nan 8.210 nan 0.000 0.409 495 L N -0.185 121.078 121.223 0.066 0.000 2.017 495 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 495 L C 2.555 179.486 176.870 0.101 0.000 1.073 495 L CA 1.717 56.633 54.840 0.126 0.000 0.745 495 L CB -1.463 40.618 42.059 0.036 0.000 0.894 495 L HN 0.284 nan 8.230 nan 0.000 0.432 496 L N 0.238 121.508 121.223 0.079 0.000 2.083 496 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 496 L C 1.950 178.893 176.870 0.122 0.000 1.083 496 L CA 1.572 56.468 54.840 0.094 0.000 0.752 496 L CB -0.761 41.359 42.059 0.102 0.000 0.899 496 L HN 0.202 nan 8.230 nan 0.000 0.433 497 D N -0.556 119.932 120.400 0.146 0.000 2.350 497 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 497 D C 0.829 177.216 176.300 0.146 0.000 0.968 497 D CA 0.662 54.756 54.000 0.157 0.000 0.894 497 D CB -0.081 40.839 40.800 0.201 0.000 0.909 497 D HN 0.375 nan 8.370 nan 0.000 0.520 498 N N 0.137 118.928 118.700 0.152 0.000 2.338 498 N HA 0.167 4.907 4.740 -0.000 0.000 0.251 498 N C -0.403 175.174 175.510 0.112 0.000 1.199 498 N CA -0.062 53.085 53.050 0.161 0.000 0.879 498 N CB 1.448 40.085 38.487 0.249 0.000 1.159 498 N HN 0.168 nan 8.380 nan 0.000 0.514 499 I N 1.687 122.305 120.570 0.079 0.000 2.382 499 I HA 0.099 4.269 4.170 -0.000 0.000 0.286 499 I C -0.188 175.958 176.117 0.048 0.000 1.002 499 I CA -0.959 60.340 61.300 -0.003 0.000 1.135 499 I CB 0.847 38.816 38.000 -0.052 0.000 1.288 499 I HN 0.137 nan 8.210 nan 0.000 0.448 500 H N 6.410 125.518 119.070 0.063 0.000 2.819 500 H HA 0.473 5.029 4.556 -0.000 0.000 0.303 500 H C -1.326 174.065 175.328 0.105 0.000 1.058 500 H CA -0.571 55.523 56.048 0.076 0.000 1.471 500 H CB 0.623 30.420 29.762 0.058 0.000 1.480 500 H HN 0.311 nan 8.280 nan 0.000 0.517 501 L N 6.855 128.234 121.223 0.261 0.000 2.289 501 L HA 0.288 4.628 4.340 -0.000 0.000 0.285 501 L C -1.147 175.859 176.870 0.227 0.000 1.049 501 L CA -1.931 53.054 54.840 0.241 0.000 0.804 501 L CB 1.164 43.337 42.059 0.189 0.000 1.195 501 L HN 0.646 nan 8.230 nan 0.000 0.428 502 P HA -0.192 nan 4.420 nan 0.000 0.205 502 P C -0.523 176.839 177.300 0.103 0.000 1.046 502 P CA 1.472 64.666 63.100 0.157 0.000 0.968 502 P CB 0.022 31.800 31.700 0.129 0.000 0.753 503 N N -1.299 117.448 118.700 0.079 0.000 3.044 503 N HA 0.461 5.201 4.740 -0.000 0.000 0.254 503 N C 0.652 176.191 175.510 0.050 0.000 1.253 503 N CA 0.096 53.178 53.050 0.055 0.000 0.944 503 N CB 0.223 38.735 38.487 0.041 0.000 1.217 503 N HN 0.415 nan 8.380 nan 0.000 0.498 504 G N -0.052 108.781 108.800 0.056 0.000 2.212 504 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.266 504 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.266 504 G C -0.134 174.797 174.900 0.052 0.000 0.978 504 G CA -0.218 44.911 45.100 0.049 0.000 0.632 504 G HN 0.447 nan 8.290 nan 0.000 0.537 505 L N 0.923 122.180 121.223 0.058 0.000 2.513 505 L HA 0.368 4.708 4.340 -0.000 0.000 0.272 505 L C 0.855 177.764 176.870 0.066 0.000 1.187 505 L CA 0.460 55.331 54.840 0.051 0.000 0.895 505 L CB 1.068 43.153 42.059 0.044 0.000 1.147 505 L HN 0.135 nan 8.230 nan 0.000 0.483 506 V N 5.375 125.322 119.914 0.056 0.000 2.347 506 V HA 0.602 4.722 4.120 -0.000 0.000 0.280 506 V C 0.532 176.665 176.094 0.065 0.000 1.021 506 V CA -0.776 61.565 62.300 0.069 0.000 0.847 506 V CB 1.536 33.399 31.823 0.067 0.000 0.990 506 V HN 0.927 nan 8.190 nan 0.000 0.444 507 A N 6.393 129.264 122.820 0.085 0.000 2.440 507 A HA 0.586 4.906 4.320 -0.000 0.000 0.251 507 A C -0.015 177.608 177.584 0.065 0.000 1.089 507 A CA -0.089 51.995 52.037 0.079 0.000 0.779 507 A CB 0.328 19.400 19.000 0.121 0.000 1.022 507 A HN 0.898 nan 8.150 nan 0.000 0.492 508 Q N 0.995 120.811 119.800 0.027 0.000 2.399 508 Q HA 0.529 4.869 4.340 -0.000 0.000 0.276 508 Q C -0.679 175.323 176.000 0.004 0.000 1.098 508 Q CA -0.878 54.913 55.803 -0.020 0.000 0.827 508 Q CB 1.919 30.608 28.738 -0.082 0.000 1.386 508 Q HN 0.745 nan 8.270 nan 0.000 0.443 509 L N 1.206 122.419 121.223 -0.017 0.000 2.479 509 L HA 0.034 4.374 4.340 -0.000 0.000 0.270 509 L C 0.148 177.068 176.870 0.085 0.000 1.236 509 L CA -0.133 54.737 54.840 0.049 0.000 0.823 509 L CB -0.154 41.926 42.059 0.035 0.000 1.098 509 L HN 0.652 nan 8.230 nan 0.000 0.500 510 Y N 0.913 121.222 120.300 0.015 0.000 2.620 510 Y HA 0.044 4.594 4.550 0.000 0.000 0.330 510 Y C 1.235 177.135 175.900 -0.001 0.000 1.186 510 Y CA 0.015 58.138 58.100 0.038 0.000 1.467 510 Y CB 0.967 39.502 38.460 0.124 0.000 1.262 510 Y HN 0.705 nan 8.280 nan 0.000 0.550 511 G N 5.929 114.559 108.800 -0.285 0.000 2.732 511 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.222 511 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.222 511 G C -0.683 173.975 174.900 -0.404 0.000 1.203 511 G CA 1.069 45.969 45.100 -0.333 0.000 0.780 511 G HN 0.675 nan 8.290 nan 0.000 0.621 512 P HA 0.029 nan 4.420 nan 0.000 0.226 512 P C 1.166 178.282 177.300 -0.307 0.000 1.146 512 P CA 1.125 63.984 63.100 -0.402 0.000 0.773 512 P CB 0.088 31.542 31.700 -0.410 0.000 0.772 513 E N -1.632 118.397 120.200 -0.284 0.000 2.498 513 E HA 0.136 4.486 4.350 -0.000 0.000 0.203 513 E C 1.695 178.120 176.600 -0.292 0.000 1.013 513 E CA -0.172 56.071 56.400 -0.263 0.000 0.927 513 E CB 0.108 29.836 29.700 0.047 0.000 1.012 513 E HN 0.211 nan 8.360 nan 0.000 0.482 514 R N 0.834 121.185 120.500 -0.247 0.000 2.148 514 R HA -0.059 4.281 4.340 -0.000 0.000 0.223 514 R C 0.856 177.008 176.300 -0.248 0.000 1.088 514 R CA 0.948 56.903 56.100 -0.242 0.000 0.985 514 R CB 0.126 30.281 30.300 -0.242 0.000 0.880 514 R HN 0.064 nan 8.270 nan 0.000 0.451 515 D N 0.082 120.332 120.400 -0.251 0.000 2.339 515 D HA -0.005 4.635 4.640 -0.000 0.000 0.217 515 D C 1.356 177.513 176.300 -0.237 0.000 1.050 515 D CA 0.331 54.214 54.000 -0.197 0.000 0.856 515 D CB 0.292 40.992 40.800 -0.167 0.000 0.922 515 D HN -0.008 nan 8.370 nan 0.000 0.518 516 K N 0.437 120.591 120.400 -0.410 0.000 2.063 516 K HA -0.059 4.261 4.320 -0.000 0.000 0.208 516 K C 1.518 177.947 176.600 -0.285 0.000 1.048 516 K CA 1.032 56.967 56.287 -0.586 0.000 0.928 516 K CB -0.166 31.455 32.500 -1.465 0.000 0.713 516 K HN 0.371 nan 8.250 nan 0.000 0.442 517 T N -3.977 110.502 114.554 -0.126 0.000 2.618 517 T HA 0.512 4.861 4.350 -0.000 0.000 0.293 517 T C -1.695 173.103 174.700 0.163 0.000 1.093 517 T CA -0.803 61.323 62.100 0.042 0.000 1.061 517 T CB 1.720 70.660 68.868 0.120 0.000 1.498 517 T HN 0.080 nan 8.240 nan 0.000 0.494 518 Y N -0.209 120.101 120.300 0.018 0.000 2.469 518 Y HA 0.441 4.991 4.550 -0.000 0.000 0.335 518 Y C -0.732 175.190 175.900 0.037 0.000 1.313 518 Y CA -0.184 57.935 58.100 0.032 0.000 1.324 518 Y CB 0.646 39.108 38.460 0.003 0.000 1.321 518 Y HN 1.351 nan 8.280 nan 0.000 0.477 519 T N 1.629 115.989 114.554 -0.323 0.000 2.724 519 T HA 0.595 4.945 4.350 -0.000 0.000 0.274 519 T C -0.061 174.228 174.700 -0.686 0.000 0.984 519 T CA -1.278 60.592 62.100 -0.385 0.000 1.024 519 T CB 1.184 69.956 68.868 -0.160 0.000 1.320 519 T HN 0.589 nan 8.240 nan 0.000 0.555 520 M N 2.449 121.807 119.600 -0.404 0.000 2.284 520 M HA 0.091 4.571 4.480 -0.000 0.000 0.351 520 M C 0.266 176.424 176.300 -0.237 0.000 1.443 520 M CA 0.241 55.353 55.300 -0.314 0.000 1.031 520 M CB -0.269 32.207 32.600 -0.207 0.000 1.893 520 M HN 0.697 nan 8.290 nan 0.000 0.456 521 D N 1.853 122.177 120.400 -0.127 0.000 2.425 521 D HA 0.205 4.845 4.640 -0.000 0.000 0.247 521 D C 1.081 177.389 176.300 0.014 0.000 1.147 521 D CA 1.358 55.388 54.000 0.050 0.000 0.879 521 D CB 0.858 41.758 40.800 0.166 0.000 1.179 521 D HN 0.922 nan 8.370 nan 0.000 0.456 522 G N 3.705 112.529 108.800 0.040 0.000 2.175 522 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.244 522 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.244 522 G C 0.939 175.809 174.900 -0.050 0.000 0.982 522 G CA 0.620 45.733 45.100 0.022 0.000 0.641 522 G HN 0.621 nan 8.290 nan 0.000 0.527 523 E N -0.567 119.531 120.200 -0.170 0.000 2.118 523 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 523 E C 1.637 177.996 176.600 -0.402 0.000 0.992 523 E CA 1.282 57.465 56.400 -0.363 0.000 0.804 523 E CB -0.130 29.200 29.700 -0.618 0.000 0.741 523 E HN 0.763 nan 8.360 nan 0.000 0.458 524 Y N -0.104 120.162 120.300 -0.058 0.000 2.457 524 Y HA 0.195 4.745 4.550 0.000 0.000 0.263 524 Y C 0.684 176.592 175.900 0.013 0.000 1.164 524 Y CA -0.446 57.590 58.100 -0.106 0.000 1.274 524 Y CB 0.204 38.451 38.460 -0.355 0.000 1.097 524 Y HN -0.141 nan 8.280 nan 0.000 0.523 525 R N 1.859 122.430 120.500 0.118 0.000 2.522 525 R HA 0.207 4.547 4.340 -0.000 0.000 0.284 525 R C -0.939 175.413 176.300 0.086 0.000 1.032 525 R CA 0.186 56.349 56.100 0.105 0.000 1.049 525 R CB 0.154 30.500 30.300 0.076 0.000 0.956 525 R HN 0.256 nan 8.270 nan 0.000 0.422 526 L N 3.696 124.968 121.223 0.081 0.000 2.334 526 L HA 0.530 4.870 4.340 -0.000 0.000 0.270 526 L C 0.763 177.658 176.870 0.042 0.000 1.018 526 L CA -1.155 53.707 54.840 0.037 0.000 0.811 526 L CB 1.699 43.761 42.059 0.006 0.000 1.271 526 L HN 0.668 nan 8.230 nan 0.000 0.443 527 R N -0.306 120.205 120.500 0.019 0.000 2.738 527 R HA 0.162 4.502 4.340 -0.000 0.000 0.275 527 R C 1.195 177.516 176.300 0.036 0.000 1.121 527 R CA 0.743 56.857 56.100 0.023 0.000 1.207 527 R CB 0.659 30.964 30.300 0.008 0.000 1.141 527 R HN 0.800 nan 8.270 nan 0.000 0.571 528 G N 0.577 109.397 108.800 0.034 0.000 2.545 528 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 528 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 528 G C 0.847 175.773 174.900 0.042 0.000 1.218 528 G CA 0.634 45.759 45.100 0.041 0.000 0.787 528 G HN 0.618 nan 8.290 nan 0.000 0.571 529 E N 0.717 120.935 120.200 0.031 0.000 2.110 529 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 529 E C 2.399 179.022 176.600 0.039 0.000 0.988 529 E CA 0.914 57.334 56.400 0.032 0.000 0.804 529 E CB -0.272 29.443 29.700 0.025 0.000 0.745 529 E HN 0.643 nan 8.360 nan 0.000 0.458 530 E N 0.441 120.657 120.200 0.027 0.000 2.072 530 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 530 E C 2.232 178.874 176.600 0.070 0.000 0.985 530 E CA 0.509 56.917 56.400 0.014 0.000 0.801 530 E CB -0.065 29.609 29.700 -0.043 0.000 0.750 530 E HN 0.056 nan 8.360 nan 0.000 0.452 531 R N 1.421 121.977 120.500 0.095 0.000 2.096 531 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 531 R C 2.275 178.674 176.300 0.164 0.000 1.127 531 R CA 1.480 57.691 56.100 0.185 0.000 0.968 531 R CB 0.016 30.409 30.300 0.155 0.000 0.861 531 R HN -0.052 nan 8.270 nan 0.000 0.440 532 K N -0.611 119.844 120.400 0.093 0.000 2.057 532 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 532 K C 1.573 178.202 176.600 0.050 0.000 1.050 532 K CA 1.837 58.154 56.287 0.049 0.000 0.935 532 K CB 0.036 32.554 32.500 0.030 0.000 0.715 532 K HN 0.142 nan 8.250 nan 0.000 0.439 533 T N 1.038 115.647 114.554 0.093 0.000 2.777 533 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 533 T C 1.357 176.171 174.700 0.190 0.000 1.040 533 T CA 1.149 63.334 62.100 0.140 0.000 1.141 533 T CB -0.347 68.604 68.868 0.138 0.000 0.868 533 T HN 0.240 nan 8.240 nan 0.000 0.444 534 F N 2.172 122.121 119.950 -0.002 0.000 2.075 534 F HA -0.037 4.490 4.527 0.000 0.000 0.297 534 F C 2.000 177.788 175.800 -0.019 0.000 1.113 534 F CA 0.646 58.634 58.000 -0.020 0.000 1.218 534 F CB -0.977 38.013 39.000 -0.017 0.000 0.984 534 F HN 0.043 nan 8.300 nan 0.000 0.472 535 L N 0.763 121.879 121.223 -0.178 0.000 2.042 535 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 535 L C 2.230 178.936 176.870 -0.274 0.000 1.076 535 L CA 2.216 56.852 54.840 -0.341 0.000 0.749 535 L CB -1.171 40.772 42.059 -0.193 0.000 0.893 535 L HN 0.244 nan 8.230 nan 0.000 0.432 536 E N -0.780 119.335 120.200 -0.141 0.000 2.107 536 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 536 E C 2.167 178.815 176.600 0.080 0.000 0.982 536 E CA 1.155 57.464 56.400 -0.152 0.000 0.809 536 E CB -0.252 29.238 29.700 -0.350 0.000 0.756 536 E HN 0.555 nan 8.360 nan 0.000 0.459 537 L N 0.567 121.918 121.223 0.214 0.000 2.017 537 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 537 L C 2.537 179.448 176.870 0.068 0.000 1.073 537 L CA 1.542 56.542 54.840 0.267 0.000 0.745 537 L CB -0.716 41.456 42.059 0.188 0.000 0.894 537 L HN 0.323 nan 8.230 nan 0.000 0.432 538 I N -2.076 118.414 120.570 -0.133 0.000 2.233 538 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 538 I C 2.598 178.601 176.117 -0.190 0.000 1.093 538 I CA 1.577 62.755 61.300 -0.204 0.000 1.380 538 I CB -0.438 37.322 38.000 -0.399 0.000 1.067 538 I HN 0.117 nan 8.210 nan 0.000 0.413 539 K N 0.791 121.005 120.400 -0.311 0.000 2.116 539 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 539 K C 1.777 178.334 176.600 -0.071 0.000 1.052 539 K CA 1.887 57.977 56.287 -0.329 0.000 0.952 539 K CB 0.065 32.271 32.500 -0.491 0.000 0.729 539 K HN 0.410 nan 8.250 nan 0.000 0.446 540 T N -0.531 114.031 114.554 0.014 0.000 3.046 540 T HA 0.192 4.541 4.350 -0.000 0.000 0.242 540 T C 1.662 176.553 174.700 0.318 0.000 1.018 540 T CA 0.505 62.685 62.100 0.134 0.000 1.131 540 T CB 0.281 69.185 68.868 0.060 0.000 0.904 540 T HN 0.259 nan 8.240 nan 0.000 0.459 541 A N 1.133 124.185 122.820 0.386 0.000 2.169 541 A HA 0.208 4.527 4.320 -0.000 0.000 0.212 541 A C 1.047 178.924 177.584 0.488 0.000 1.153 541 A CA 0.851 53.157 52.037 0.449 0.000 0.756 541 A CB -0.432 18.769 19.000 0.336 0.000 0.813 541 A HN 0.418 nan 8.150 nan 0.000 0.471 542 D N -1.484 119.078 120.400 0.271 0.000 2.837 542 D HA -0.128 4.512 4.640 -0.000 0.000 0.230 542 D C -0.409 175.940 176.300 0.080 0.000 1.152 542 D CA 0.376 54.439 54.000 0.106 0.000 0.736 542 D CB -1.433 39.321 40.800 -0.078 0.000 1.084 542 D HN 0.192 nan 8.370 nan 0.000 0.429 543 L N -0.188 121.077 121.223 0.070 0.000 2.439 543 L HA 0.388 4.727 4.340 -0.000 0.000 0.269 543 L C -1.298 175.576 176.870 0.008 0.000 1.179 543 L CA -1.076 53.779 54.840 0.024 0.000 0.828 543 L CB -0.402 41.643 42.059 -0.024 0.000 1.106 543 L HN -0.031 nan 8.230 nan 0.000 0.467 544 P HA 0.002 nan 4.420 nan 0.000 0.267 544 P C 1.163 178.515 177.300 0.086 0.000 1.200 544 P CA -0.190 62.935 63.100 0.043 0.000 0.772 544 P CB 0.700 32.450 31.700 0.084 0.000 0.855 545 V N 1.494 121.457 119.914 0.083 0.000 2.332 545 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 545 V C 1.842 178.091 176.094 0.259 0.000 1.055 545 V CA 1.795 64.186 62.300 0.152 0.000 1.038 545 V CB -1.280 30.596 31.823 0.088 0.000 0.651 545 V HN 0.728 nan 8.190 nan 0.000 0.450 546 W N 0.361 121.677 121.300 0.026 0.000 2.335 546 W HA -0.230 4.430 4.660 -0.001 0.000 0.311 546 W C 2.183 178.697 176.519 -0.008 0.000 1.213 546 W CA 1.963 59.303 57.345 -0.007 0.000 1.274 546 W CB -0.373 29.064 29.460 -0.039 0.000 1.148 546 W HN 0.222 nan 8.180 nan 0.000 0.498 547 L N 1.522 122.801 121.223 0.093 0.000 2.056 547 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 547 L C 2.463 179.115 176.870 -0.363 0.000 1.078 547 L CA 2.639 57.346 54.840 -0.222 0.000 0.749 547 L CB -1.484 40.651 42.059 0.126 0.000 0.901 547 L HN 0.082 nan 8.230 nan 0.000 0.433 548 A N -1.324 121.441 122.820 -0.090 0.000 1.940 548 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 548 A C 2.324 179.906 177.584 -0.004 0.000 1.176 548 A CA 1.923 53.973 52.037 0.022 0.000 0.631 548 A CB -1.205 17.908 19.000 0.187 0.000 0.814 548 A HN 0.657 nan 8.150 nan 0.000 0.446 549 Y N 0.373 120.540 120.300 -0.222 0.000 2.200 549 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 549 Y C 2.226 177.662 175.900 -0.773 0.000 1.137 549 Y CA 2.092 59.775 58.100 -0.695 0.000 1.163 549 Y CB -0.002 38.029 38.460 -0.715 0.000 0.988 549 Y HN 0.087 nan 8.280 nan 0.000 0.518 550 K N 0.019 119.783 120.400 -1.059 0.000 2.063 550 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 550 K C 2.115 177.792 176.600 -1.538 0.000 1.048 550 K CA 1.454 56.826 56.287 -1.525 0.000 0.928 550 K CB -0.856 30.364 32.500 -2.133 0.000 0.713 550 K HN 0.329 nan 8.250 nan 0.000 0.442 551 V N 1.145 120.327 119.914 -1.219 0.000 2.307 551 V HA -0.186 3.933 4.120 -0.000 0.000 0.245 551 V C 2.436 178.209 176.094 -0.534 0.000 1.045 551 V CA 1.909 63.666 62.300 -0.905 0.000 1.024 551 V CB -0.741 30.573 31.823 -0.850 0.000 0.651 551 V HN 0.272 nan 8.190 nan 0.000 0.449 552 A N -0.904 121.638 122.820 -0.463 0.000 1.930 552 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 552 A C 2.472 179.805 177.584 -0.417 0.000 1.175 552 A CA 1.946 53.797 52.037 -0.311 0.000 0.627 552 A CB -0.692 18.202 19.000 -0.177 0.000 0.815 552 A HN 0.448 nan 8.150 nan 0.000 0.443 553 S N -0.507 114.765 115.700 -0.713 0.000 2.507 553 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 553 S C 1.222 175.586 174.600 -0.393 0.000 0.988 553 S CA 0.852 58.638 58.200 -0.689 0.000 0.944 553 S CB -0.605 61.899 63.200 -1.160 0.000 0.762 553 S HN 0.678 nan 8.310 nan 0.000 0.526 554 N N -0.155 118.351 118.700 -0.323 0.000 2.321 554 N HA 0.195 4.935 4.740 -0.000 0.000 0.242 554 N C 0.751 176.232 175.510 -0.050 0.000 1.141 554 N CA 0.389 53.369 53.050 -0.117 0.000 0.864 554 N CB 0.373 38.881 38.487 0.035 0.000 1.100 554 N HN 0.466 nan 8.380 nan 0.000 0.510 555 G N 1.380 110.130 108.800 -0.082 0.000 2.166 555 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 555 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 555 G C 0.214 175.119 174.900 0.009 0.000 0.986 555 G CA 0.098 45.181 45.100 -0.029 0.000 0.683 555 G HN 0.346 nan 8.290 nan 0.000 0.527 556 I N 0.980 121.554 120.570 0.006 0.000 2.588 556 I HA 0.175 4.345 4.170 -0.000 0.000 0.283 556 I C 0.744 176.907 176.117 0.076 0.000 1.119 556 I CA -0.460 60.878 61.300 0.064 0.000 1.419 556 I CB 0.756 38.799 38.000 0.072 0.000 1.394 556 I HN 0.049 nan 8.210 nan 0.000 0.562 557 Q N 4.501 124.370 119.800 0.114 0.000 2.299 557 Q HA 0.035 4.375 4.340 -0.000 0.000 0.246 557 Q C 0.573 176.692 176.000 0.198 0.000 0.935 557 Q CA -0.242 55.645 55.803 0.140 0.000 0.887 557 Q CB 0.776 29.587 28.738 0.121 0.000 1.223 557 Q HN 0.615 nan 8.270 nan 0.000 0.439 558 Y N 3.285 123.649 120.300 0.108 0.000 2.102 558 Y HA -0.326 4.224 4.550 -0.000 0.000 0.280 558 Y C 1.234 177.234 175.900 0.167 0.000 1.178 558 Y CA 2.265 60.455 58.100 0.149 0.000 1.146 558 Y CB 0.250 38.779 38.460 0.115 0.000 0.968 558 Y HN 0.604 nan 8.280 nan 0.000 0.504 559 N N 0.360 119.167 118.700 0.178 0.000 2.515 559 N HA -0.086 4.654 4.740 -0.000 0.000 0.185 559 N C -0.336 175.175 175.510 0.001 0.000 1.109 559 N CA 0.759 53.836 53.050 0.045 0.000 0.903 559 N CB -0.320 38.237 38.487 0.117 0.000 0.969 559 N HN 0.373 nan 8.380 nan 0.000 0.450 560 D N 1.317 121.762 120.400 0.075 0.000 2.422 560 D HA 0.084 4.724 4.640 -0.000 0.000 0.227 560 D C 0.641 177.027 176.300 0.143 0.000 1.190 560 D CA -0.209 53.851 54.000 0.100 0.000 0.905 560 D CB 0.403 41.290 40.800 0.144 0.000 1.034 560 D HN -0.125 nan 8.370 nan 0.000 0.507 561 R N 3.273 123.750 120.500 -0.038 0.000 2.320 561 R HA 0.020 4.360 4.340 -0.000 0.000 0.211 561 R C 1.535 177.655 176.300 -0.300 0.000 0.931 561 R CA -0.084 55.846 56.100 -0.284 0.000 1.071 561 R CB 0.050 30.113 30.300 -0.395 0.000 1.025 561 R HN 0.427 nan 8.270 nan 0.000 0.495 562 K N 1.171 121.564 120.400 -0.012 0.000 2.147 562 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 562 K C 1.853 178.461 176.600 0.013 0.000 1.049 562 K CA 1.312 57.636 56.287 0.062 0.000 0.936 562 K CB -0.058 32.501 32.500 0.099 0.000 0.722 562 K HN 0.344 nan 8.250 nan 0.000 0.446 563 W N -0.435 120.871 121.300 0.010 0.000 2.421 563 W HA -0.164 4.496 4.660 -0.001 0.000 0.270 563 W C 1.013 177.473 176.519 -0.099 0.000 1.233 563 W CA 0.285 57.611 57.345 -0.033 0.000 1.226 563 W CB -1.231 28.300 29.460 0.119 0.000 1.121 563 W HN 0.017 nan 8.180 nan 0.000 0.579 564 C N 0.233 118.836 119.300 -1.161 0.000 2.491 564 C HA 0.017 4.477 4.460 -0.000 0.000 0.277 564 C C 1.899 176.227 174.990 -1.103 0.000 1.455 564 C CA 0.651 58.840 59.018 -1.382 0.000 1.758 564 C CB -1.985 24.613 27.740 -1.904 0.000 1.745 564 C HN 0.323 nan 8.230 nan 0.000 0.558 565 F N -0.117 119.685 119.950 -0.247 0.000 2.880 565 F HA 0.146 4.673 4.527 -0.000 0.000 0.346 565 F C 1.162 176.899 175.800 -0.105 0.000 1.054 565 F CA -0.009 57.893 58.000 -0.163 0.000 1.151 565 F CB 0.092 38.988 39.000 -0.174 0.000 1.066 565 F HN 0.133 nan 8.300 nan 0.000 0.566 566 D N 0.103 120.533 120.400 0.049 0.000 2.559 566 D HA 0.216 4.856 4.640 -0.000 0.000 0.234 566 D C 0.841 177.121 176.300 -0.033 0.000 1.226 566 D CA -0.023 53.988 54.000 0.019 0.000 0.830 566 D CB -0.364 40.451 40.800 0.024 0.000 1.028 566 D HN 0.109 nan 8.370 nan 0.000 0.492 567 G N 0.765 109.534 108.800 -0.051 0.000 2.588 567 G HA2 0.427 4.386 3.960 -0.000 0.000 0.278 567 G HA3 0.427 4.386 3.960 -0.000 0.000 0.278 567 G C -2.247 172.621 174.900 -0.053 0.000 1.307 567 G CA -1.006 44.040 45.100 -0.089 0.000 1.016 567 G HN 0.069 nan 8.290 nan 0.000 0.503 568 P HA 0.158 nan 4.420 nan 0.000 0.271 568 P C 0.958 178.252 177.300 -0.010 0.000 1.244 568 P CA -0.356 62.730 63.100 -0.024 0.000 0.793 568 P CB 0.730 32.422 31.700 -0.014 0.000 0.984 569 R N 0.474 120.973 120.500 -0.003 0.000 2.081 569 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 569 R C 2.166 178.468 176.300 0.003 0.000 1.131 569 R CA 2.052 58.152 56.100 0.000 0.000 0.960 569 R CB -0.895 29.406 30.300 0.002 0.000 0.856 569 R HN 0.639 nan 8.270 nan 0.000 0.436 570 S N 0.996 116.702 115.700 0.009 0.000 2.440 570 S HA -0.084 4.385 4.470 -0.000 0.000 0.238 570 S C 1.170 175.777 174.600 0.012 0.000 1.010 570 S CA 1.155 59.364 58.200 0.015 0.000 0.972 570 S CB -0.216 63.000 63.200 0.026 0.000 0.774 570 S HN 0.256 nan 8.310 nan 0.000 0.501 571 N N 1.111 119.817 118.700 0.009 0.000 2.383 571 N HA 0.335 5.075 4.740 -0.000 0.000 0.192 571 N C -0.119 175.372 175.510 -0.031 0.000 1.141 571 N CA -0.038 53.015 53.050 0.005 0.000 0.851 571 N CB -0.360 38.144 38.487 0.029 0.000 0.976 571 N HN 0.526 nan 8.380 nan 0.000 0.465 572 I N 1.394 121.946 120.570 -0.030 0.000 2.683 572 I HA -0.036 4.134 4.170 -0.000 0.000 0.286 572 I C 0.421 176.483 176.117 -0.090 0.000 1.175 572 I CA 0.308 61.585 61.300 -0.039 0.000 1.429 572 I CB 0.493 38.482 38.000 -0.018 0.000 1.371 572 I HN -0.109 nan 8.210 nan 0.000 0.569 573 I N 7.465 127.970 120.570 -0.108 0.000 2.353 573 I HA 0.249 4.419 4.170 -0.000 0.000 0.293 573 I C -0.599 175.473 176.117 -0.075 0.000 0.992 573 I CA -0.809 60.375 61.300 -0.193 0.000 1.268 573 I CB 1.355 39.223 38.000 -0.221 0.000 1.387 573 I HN 0.346 nan 8.210 nan 0.000 0.478 574 L N 3.946 125.136 121.223 -0.055 0.000 2.362 574 L HA 0.647 4.987 4.340 -0.000 0.000 0.275 574 L C -0.520 176.382 176.870 0.053 0.000 0.998 574 L CA -0.551 54.295 54.840 0.009 0.000 0.820 574 L CB 1.509 43.575 42.059 0.011 0.000 1.270 574 L HN 0.500 nan 8.230 nan 0.000 0.415 575 E N 2.181 122.419 120.200 0.063 0.000 2.114 575 E HA 0.316 4.666 4.350 -0.000 0.000 0.266 575 E C -0.959 175.682 176.600 0.068 0.000 0.896 575 E CA -0.385 56.067 56.400 0.086 0.000 0.750 575 E CB 0.622 30.380 29.700 0.098 0.000 1.121 575 E HN 0.796 nan 8.360 nan 0.000 0.413 576 D N 3.900 124.341 120.400 0.067 0.000 2.800 576 D HA -0.279 4.361 4.640 -0.000 0.000 0.232 576 D C -0.338 175.985 176.300 0.039 0.000 1.137 576 D CA 1.128 55.157 54.000 0.049 0.000 0.718 576 D CB -1.572 39.254 40.800 0.043 0.000 1.084 576 D HN 0.874 nan 8.370 nan 0.000 0.432 577 N N -0.944 117.780 118.700 0.041 0.000 2.746 577 N HA -0.247 4.493 4.740 -0.000 0.000 0.250 577 N C 0.347 175.871 175.510 0.025 0.000 1.055 577 N CA 1.010 54.079 53.050 0.031 0.000 0.699 577 N CB -1.025 37.479 38.487 0.028 0.000 0.919 577 N HN 0.537 nan 8.380 nan 0.000 0.548 578 N N -0.203 118.512 118.700 0.025 0.000 2.308 578 N HA 0.048 4.788 4.740 -0.000 0.000 0.224 578 N C 0.318 175.836 175.510 0.014 0.000 1.024 578 N CA 0.957 54.020 53.050 0.021 0.000 1.118 578 N CB 0.254 38.757 38.487 0.027 0.000 1.399 578 N HN 0.367 nan 8.380 nan 0.000 0.594 579 E N -0.521 119.686 120.200 0.012 0.000 2.672 579 E HA 0.574 4.924 4.350 -0.000 0.000 0.235 579 E C -1.320 175.291 176.600 0.019 0.000 0.906 579 E CA -0.832 55.576 56.400 0.015 0.000 0.973 579 E CB 1.093 30.798 29.700 0.008 0.000 1.478 579 E HN -0.022 nan 8.360 nan 0.000 0.430 580 V N -1.019 118.909 119.914 0.024 0.000 3.007 580 V HA 0.629 4.749 4.120 -0.000 0.000 0.311 580 V C -1.346 174.766 176.094 0.031 0.000 1.120 580 V CA -0.220 62.097 62.300 0.028 0.000 0.980 580 V CB 1.855 33.704 31.823 0.042 0.000 1.033 580 V HN 0.743 nan 8.190 nan 0.000 0.429 594 P HA 0.358 nan 4.420 nan 0.000 0.280 594 P C 0.017 177.352 177.300 0.060 0.000 1.272 594 P CA -0.727 62.411 63.100 0.064 0.000 0.819 594 P CB 0.861 32.744 31.700 0.305 0.000 1.122 595 R N -0.207 120.283 120.500 -0.018 0.000 2.103 595 R HA -0.069 4.271 4.340 -0.000 0.000 0.242 595 R C 0.196 176.149 176.300 -0.579 0.000 1.142 595 R CA 1.624 57.388 56.100 -0.559 0.000 0.960 595 R CB -0.061 29.407 30.300 -1.387 0.000 0.858 595 R HN 0.589 nan 8.270 nan 0.000 0.439 596 W N 0.178 121.667 121.300 0.316 0.000 2.819 596 W HA 0.427 5.087 4.660 -0.000 0.000 0.337 596 W C -0.895 175.867 176.519 0.405 0.000 1.077 596 W CA -0.904 56.634 57.345 0.322 0.000 1.226 596 W CB 0.853 30.439 29.460 0.212 0.000 1.419 596 W HN -0.104 nan 8.180 nan 0.000 0.502 597 L N 2.781 124.366 121.223 0.603 0.000 2.287 597 L HA 0.271 4.611 4.340 -0.000 0.000 0.287 597 L C -0.078 177.057 176.870 0.442 0.000 1.022 597 L CA -0.090 55.035 54.840 0.474 0.000 0.814 597 L CB 1.143 43.401 42.059 0.333 0.000 1.217 597 L HN 0.277 nan 8.230 nan 0.000 0.420 598 D N 2.913 123.552 120.400 0.398 0.000 2.453 598 D HA 0.272 4.912 4.640 -0.000 0.000 0.238 598 D C 0.731 176.984 176.300 -0.078 0.000 1.088 598 D CA -0.302 53.793 54.000 0.159 0.000 0.854 598 D CB 2.186 43.140 40.800 0.256 0.000 1.076 598 D HN 0.605 nan 8.370 nan 0.000 0.533 599 A N 4.442 127.115 122.820 -0.244 0.000 2.084 599 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 599 A C 1.923 179.097 177.584 -0.683 0.000 1.161 599 A CA 1.136 52.740 52.037 -0.722 0.000 0.653 599 A CB -0.215 18.566 19.000 -0.366 0.000 0.802 599 A HN 0.631 nan 8.150 nan 0.000 0.457 600 R N -0.579 119.706 120.500 -0.358 0.000 2.285 600 R HA -0.059 4.281 4.340 -0.000 0.000 0.213 600 R C 1.694 177.858 176.300 -0.227 0.000 1.068 600 R CA 1.275 57.230 56.100 -0.241 0.000 1.004 600 R CB -0.362 29.860 30.300 -0.131 0.000 0.873 600 R HN 0.629 nan 8.270 nan 0.000 0.467 601 V N -2.373 117.361 119.914 -0.300 0.000 3.590 601 V HA 0.060 4.180 4.120 -0.000 0.000 0.265 601 V C 0.743 176.814 176.094 -0.038 0.000 1.239 601 V CA 0.359 62.524 62.300 -0.224 0.000 1.117 601 V CB -0.345 31.102 31.823 -0.628 0.000 0.818 601 V HN 0.381 nan 8.190 nan 0.000 0.451 602 Y N -2.621 117.649 120.300 -0.051 0.000 2.779 602 Y HA 0.633 5.183 4.550 -0.000 0.000 0.251 602 Y C 1.397 177.322 175.900 0.042 0.000 1.145 602 Y CA 0.032 58.155 58.100 0.039 0.000 1.201 602 Y CB -0.193 38.303 38.460 0.061 0.000 1.281 602 Y HN -0.034 nan 8.280 nan 0.000 0.563 603 S N 0.842 116.442 115.700 -0.165 0.000 2.575 603 S HA 0.145 4.614 4.470 -0.000 0.000 0.215 603 S C -0.405 174.199 174.600 0.006 0.000 0.966 603 S CA 0.412 58.558 58.200 -0.090 0.000 0.911 603 S CB -0.373 62.708 63.200 -0.199 0.000 0.780 603 S HN 0.814 nan 8.310 nan 0.000 0.514 604 D N -2.642 117.784 120.400 0.044 0.000 2.639 604 D HA 0.273 4.913 4.640 -0.000 0.000 0.271 604 D C 0.329 176.706 176.300 0.128 0.000 1.254 604 D CA -0.781 53.268 54.000 0.081 0.000 0.810 604 D CB 0.338 41.167 40.800 0.049 0.000 1.351 604 D HN -0.062 nan 8.370 nan 0.000 0.427 605 H N -0.380 118.723 119.070 0.056 0.000 2.319 605 H HA -0.188 4.367 4.556 -0.001 0.000 0.299 605 H C 2.026 177.409 175.328 0.093 0.000 1.092 605 H CA 2.835 58.925 56.048 0.070 0.000 1.302 605 H CB 0.257 30.046 29.762 0.045 0.000 1.373 605 H HN 0.571 nan 8.280 nan 0.000 0.497 606 Q N -0.545 119.299 119.800 0.073 0.000 2.084 606 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 606 Q C 2.096 178.138 176.000 0.070 0.000 0.978 606 Q CA 1.913 57.740 55.803 0.039 0.000 0.844 606 Q CB -0.150 28.627 28.738 0.066 0.000 0.898 606 Q HN 0.348 nan 8.270 nan 0.000 0.426 607 S N 0.840 116.588 115.700 0.079 0.000 2.377 607 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 607 S C 1.737 176.485 174.600 0.246 0.000 1.030 607 S CA 0.763 59.039 58.200 0.127 0.000 0.970 607 S CB -0.203 63.025 63.200 0.047 0.000 0.830 607 S HN 0.345 nan 8.310 nan 0.000 0.473 608 L N 2.587 123.924 121.223 0.190 0.000 2.056 608 L HA 0.072 4.412 4.340 -0.000 0.000 0.207 608 L C 2.107 179.103 176.870 0.211 0.000 1.078 608 L CA 1.815 56.806 54.840 0.253 0.000 0.749 608 L CB -0.746 41.436 42.059 0.205 0.000 0.901 608 L HN 0.165 nan 8.230 nan 0.000 0.433 609 K N -1.227 119.218 120.400 0.076 0.000 2.113 609 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 609 K C 2.157 178.855 176.600 0.162 0.000 1.047 609 K CA 1.986 58.293 56.287 0.034 0.000 0.928 609 K CB -0.579 31.849 32.500 -0.120 0.000 0.716 609 K HN 0.634 nan 8.250 nan 0.000 0.446 610 W N 0.458 121.803 121.300 0.075 0.000 2.443 610 W HA -0.169 4.491 4.660 -0.000 0.000 0.296 610 W C 1.485 178.139 176.519 0.225 0.000 1.202 610 W CA 0.769 58.189 57.345 0.126 0.000 1.312 610 W CB -0.454 29.074 29.460 0.113 0.000 1.120 610 W HN 0.108 nan 8.180 nan 0.000 0.536 611 F N 2.043 122.155 119.950 0.270 0.000 2.186 611 F HA -0.150 4.377 4.527 -0.001 0.000 0.299 611 F C 2.363 178.239 175.800 0.127 0.000 1.090 611 F CA 1.991 60.122 58.000 0.218 0.000 1.307 611 F CB -0.135 39.022 39.000 0.262 0.000 1.019 611 F HN -0.270 nan 8.300 nan 0.000 0.489 612 K N 0.201 120.620 120.400 0.031 0.000 2.026 612 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 612 K C 1.589 178.093 176.600 -0.159 0.000 1.048 612 K CA 1.859 58.084 56.287 -0.102 0.000 0.929 612 K CB -0.322 32.178 32.500 -0.001 0.000 0.713 612 K HN 0.203 nan 8.250 nan 0.000 0.439 613 D N 0.460 120.781 120.400 -0.132 0.000 2.104 613 D HA -0.181 4.458 4.640 -0.000 0.000 0.194 613 D C 1.599 177.736 176.300 -0.271 0.000 0.994 613 D CA 0.904 54.788 54.000 -0.193 0.000 0.830 613 D CB -0.342 40.334 40.800 -0.208 0.000 0.959 613 D HN 0.100 nan 8.370 nan 0.000 0.452 614 F N 1.652 121.315 119.950 -0.478 0.000 2.154 614 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 614 F C 2.086 177.647 175.800 -0.400 0.000 1.087 614 F CA 1.654 59.388 58.000 -0.444 0.000 1.274 614 F CB -0.326 38.456 39.000 -0.362 0.000 1.009 614 F HN -0.046 nan 8.300 nan 0.000 0.485 615 A N 0.391 122.835 122.820 -0.626 0.000 2.076 615 A HA 0.029 4.349 4.320 -0.000 0.000 0.220 615 A C 2.232 179.573 177.584 -0.405 0.000 1.160 615 A CA 1.507 53.136 52.037 -0.679 0.000 0.653 615 A CB -1.458 17.227 19.000 -0.525 0.000 0.801 615 A HN 0.598 nan 8.150 nan 0.000 0.455 616 A N -0.883 121.740 122.820 -0.329 0.000 2.773 616 A HA 0.469 4.789 4.320 -0.000 0.000 0.185 616 A C 1.760 179.187 177.584 -0.262 0.000 1.559 616 A CA 1.271 53.170 52.037 -0.229 0.000 0.663 616 A CB -1.310 17.585 19.000 -0.174 0.000 1.098 616 A HN 2.233 nan 8.150 nan 0.000 0.495 617 G N -1.928 106.739 108.800 -0.222 0.000 2.760 617 G HA2 0.026 3.986 3.960 -0.000 0.000 0.246 617 G HA3 0.026 3.986 3.960 -0.000 0.000 0.246 617 G C -0.043 174.706 174.900 -0.252 0.000 1.359 617 G CA 0.069 45.055 45.100 -0.190 0.000 0.861 617 G HN 1.331 nan 8.290 nan 0.000 0.541 618 K N 0.000 120.264 120.400 -0.227 0.000 2.780 618 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 618 K CA 0.000 56.188 56.287 -0.166 0.000 0.838 618 K CB 0.000 32.438 32.500 -0.103 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543