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 2vwd_1_A DATA FIRST_RESID 187 DATA SEQUENCE NIcLQKTSNQ ILKPKLISXT LPVVGQSGTc ITDPLLAMDE GYFAYSHLER DATA SEQUENCE IGScXXGVSK QRIIGVGEVL DRGDEVPSLF MTNVWTPPNP NTVYHcSAVY DATA SEQUENCE NNEFYYVLcA VSTVGDPILN STYWSGSLMM TRLAVKPKSN GGGYNQHQLA DATA SEQUENCE LRSIEKGRYD KVMPYGPSGI KQGDTLYFPA VGFLVRTEFK YNDSNcPITK DATA SEQUENCE cQYSKPENcR LSMGIRPNSH YILRSGLLKY NLSDGENPKV VFIEISDQRL DATA SEQUENCE SIGSPSKIYD SLGQPVFYQA SFSWDTMIKF GDVLTVNPLV VNWRNNTVIS DATA SEQUENCE RPGQSQcPRF NTcPEIcWEG VYNDAFLIDR INWISAGVFL DSNQTAENPV DATA SEQUENCE FTVFKDNEIL YRAQLASEDT NAQKTITNcF LLKNKIWcIS LVEIYDTGDN DATA SEQUENCE VIRPKLFAVK IPEQcT 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 187 N HA 0.000 nan 4.740 nan 0.000 0.220 187 N C 0.000 175.504 175.510 -0.009 0.000 1.280 187 N CA 0.000 53.049 53.050 -0.002 0.000 0.885 187 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 188 I N -2.334 118.240 120.570 0.005 0.000 2.910 188 I HA 0.671 4.845 4.170 0.008 0.000 0.310 188 I C 0.258 176.398 176.117 0.038 0.000 1.043 188 I CA -1.082 60.228 61.300 0.016 0.000 1.053 188 I CB 1.906 39.935 38.000 0.047 0.000 1.242 188 I HN 0.548 nan 8.210 nan 0.000 0.452 189 c N 4.388 123.009 118.600 0.035 0.000 2.638 189 c HA 0.261 4.835 4.570 0.008 0.000 0.410 189 c C 1.347 175.554 174.090 0.195 0.000 1.404 189 c CA -0.084 56.268 56.329 0.038 0.000 1.651 189 c CB -1.350 41.059 42.510 -0.168 0.000 2.495 189 c HN 0.796 nan 8.230 nan 0.000 0.606 190 L N 4.403 125.704 121.223 0.130 0.000 2.640 190 L HA 0.207 4.552 4.340 0.008 0.000 0.230 190 L C 1.105 178.058 176.870 0.139 0.000 1.123 190 L CA 0.285 55.202 54.840 0.128 0.000 0.900 190 L CB -0.490 41.614 42.059 0.074 0.000 1.146 190 L HN 0.728 nan 8.230 nan 0.000 0.484 191 Q N 0.613 120.507 119.800 0.156 0.000 2.266 191 Q HA 0.300 4.645 4.340 0.008 0.000 0.261 191 Q C -0.372 175.743 176.000 0.192 0.000 0.985 191 Q CA -0.576 55.304 55.803 0.129 0.000 0.873 191 Q CB 2.360 31.143 28.738 0.076 0.000 1.306 191 Q HN -0.050 nan 8.270 nan 0.000 0.447 192 K N 1.255 121.744 120.400 0.147 0.000 2.368 192 K HA 0.194 4.519 4.320 0.008 0.000 0.282 192 K C -0.900 175.783 176.600 0.139 0.000 1.035 192 K CA 0.432 56.815 56.287 0.159 0.000 0.973 192 K CB 0.612 33.175 32.500 0.106 0.000 0.957 192 K HN 0.574 nan 8.250 nan 0.000 0.474 193 T N 1.298 115.955 114.554 0.171 0.000 2.982 193 T HA 0.142 4.497 4.350 0.008 0.000 0.321 193 T C 0.406 175.170 174.700 0.107 0.000 1.229 193 T CA -0.557 61.604 62.100 0.102 0.000 1.044 193 T CB 1.206 70.099 68.868 0.041 0.000 1.184 193 T HN 0.604 nan 8.240 nan 0.000 0.477 194 S N 2.917 118.657 115.700 0.067 0.000 2.593 194 S HA 0.163 4.637 4.470 0.008 0.000 0.217 194 S C 0.656 175.280 174.600 0.039 0.000 0.966 194 S CA -0.323 57.913 58.200 0.059 0.000 0.914 194 S CB -0.343 62.883 63.200 0.044 0.000 0.776 194 S HN 0.655 nan 8.310 nan 0.000 0.523 195 N N 3.175 121.886 118.700 0.018 0.000 2.458 195 N HA 0.078 4.822 4.740 0.008 0.000 0.258 195 N C -0.255 175.248 175.510 -0.011 0.000 1.219 195 N CA 0.316 53.361 53.050 -0.009 0.000 0.902 195 N CB 0.153 38.617 38.487 -0.038 0.000 1.076 195 N HN 0.503 nan 8.380 nan 0.000 0.455 196 Q N 1.825 121.617 119.800 -0.013 0.000 3.184 196 Q HA 0.124 4.469 4.340 0.008 0.000 0.288 196 Q C 1.212 177.184 176.000 -0.047 0.000 1.412 196 Q CA -0.093 55.703 55.803 -0.012 0.000 0.991 196 Q CB -0.343 28.391 28.738 -0.006 0.000 1.688 196 Q HN 0.656 nan 8.270 nan 0.000 0.554 197 I N -2.862 117.658 120.570 -0.084 0.000 3.251 197 I HA 0.057 4.232 4.170 0.008 0.000 0.277 197 I C 0.072 176.105 176.117 -0.139 0.000 1.268 197 I CA 0.191 61.403 61.300 -0.147 0.000 1.449 197 I CB 0.224 38.065 38.000 -0.266 0.000 1.083 197 I HN 0.198 nan 8.210 nan 0.000 0.464 198 L N 2.527 123.706 121.223 -0.073 0.000 2.276 198 L HA 0.373 4.718 4.340 0.008 0.000 0.286 198 L C -0.377 176.436 176.870 -0.095 0.000 1.061 198 L CA -0.231 54.562 54.840 -0.078 0.000 0.807 198 L CB 0.901 42.973 42.059 0.021 0.000 1.177 198 L HN -0.014 nan 8.230 nan 0.000 0.429 199 K N 4.236 124.555 120.400 -0.134 0.000 2.562 199 K HA 0.357 4.681 4.320 0.008 0.000 0.206 199 K C -2.468 174.080 176.600 -0.087 0.000 1.033 199 K CA -1.680 54.554 56.287 -0.089 0.000 1.029 199 K CB 0.761 33.221 32.500 -0.066 0.000 1.393 199 K HN 0.127 nan 8.250 nan 0.000 0.539 200 P HA 0.056 nan 4.420 nan 0.000 0.265 200 P C -0.728 176.629 177.300 0.096 0.000 1.193 200 P CA -0.307 62.766 63.100 -0.044 0.000 0.765 200 P CB 0.653 32.292 31.700 -0.102 0.000 0.823 201 K N 2.579 123.071 120.400 0.153 0.000 2.307 201 K HA 0.395 4.720 4.320 0.008 0.000 0.263 201 K C -0.796 175.872 176.600 0.114 0.000 0.973 201 K CA -0.821 55.546 56.287 0.133 0.000 0.846 201 K CB 0.704 33.279 32.500 0.125 0.000 1.100 201 K HN 0.284 nan 8.250 nan 0.000 0.438 202 L N 6.295 127.538 121.223 0.033 0.000 2.456 202 L HA 0.311 4.655 4.340 0.008 0.000 0.277 202 L C -0.212 176.542 176.870 -0.193 0.000 1.124 202 L CA 0.300 55.017 54.840 -0.204 0.000 0.880 202 L CB -0.454 41.485 42.059 -0.201 0.000 1.192 202 L HN 0.680 nan 8.230 nan 0.000 0.463 203 I N 1.203 121.625 120.570 -0.247 0.000 3.830 203 I HA 0.797 4.972 4.170 0.008 0.000 0.272 203 I C 0.187 176.143 176.117 -0.268 0.000 1.333 203 I CA -0.695 60.471 61.300 -0.225 0.000 1.006 203 I CB 1.599 39.472 38.000 -0.212 0.000 1.472 203 I HN 0.575 nan 8.210 nan 0.000 0.604 207 L N 2.814 123.922 121.223 -0.190 0.000 2.354 207 L HA 0.672 5.017 4.340 0.008 0.000 0.269 207 L C -1.756 175.089 176.870 -0.042 0.000 1.005 207 L CA -1.988 52.816 54.840 -0.058 0.000 0.819 207 L CB 1.735 43.820 42.059 0.043 0.000 1.311 207 L HN -0.055 nan 8.230 nan 0.000 0.423 208 P HA -0.036 nan 4.420 nan 0.000 0.220 208 P C 1.427 178.718 177.300 -0.015 0.000 1.152 208 P CA 0.629 63.711 63.100 -0.030 0.000 0.812 208 P CB 0.411 32.098 31.700 -0.022 0.000 0.792 209 V N 0.562 120.485 119.914 0.014 0.000 2.453 209 V HA -0.155 3.970 4.120 0.008 0.000 0.252 209 V C 1.603 177.688 176.094 -0.015 0.000 1.068 209 V CA 1.205 63.514 62.300 0.014 0.000 1.070 209 V CB -1.132 30.723 31.823 0.054 0.000 0.664 209 V HN -0.071 nan 8.190 nan 0.000 0.461 210 V N 1.579 121.488 119.914 -0.008 0.000 2.356 210 V HA 0.488 4.612 4.120 0.008 0.000 0.244 210 V C 1.266 177.327 176.094 -0.055 0.000 1.120 210 V CA 1.225 63.496 62.300 -0.047 0.000 1.181 210 V CB -0.785 31.025 31.823 -0.022 0.000 1.244 210 V HN 0.620 nan 8.190 nan 0.000 0.487 211 G N 2.945 111.713 108.800 -0.054 0.000 3.302 211 G HA2 -0.123 3.841 3.960 0.008 0.000 0.216 211 G HA3 -0.123 3.841 3.960 0.008 0.000 0.216 211 G C 0.313 175.189 174.900 -0.041 0.000 1.008 211 G CA -0.174 44.897 45.100 -0.050 0.000 0.852 211 G HN 0.533 nan 8.290 nan 0.000 0.485 212 Q N 1.867 121.645 119.800 -0.036 0.000 2.311 212 Q HA 0.460 4.805 4.340 0.008 0.000 0.272 212 Q C 0.186 176.167 176.000 -0.032 0.000 1.012 212 Q CA 0.392 56.177 55.803 -0.030 0.000 0.891 212 Q CB 0.704 29.428 28.738 -0.024 0.000 1.201 212 Q HN 0.274 nan 8.270 nan 0.000 0.391 213 S N 2.106 117.790 115.700 -0.027 0.000 2.580 213 S HA 0.487 4.961 4.470 0.008 0.000 0.274 213 S C 0.806 175.392 174.600 -0.023 0.000 1.329 213 S CA 0.777 58.961 58.200 -0.026 0.000 1.036 213 S CB 0.556 63.742 63.200 -0.024 0.000 0.919 213 S HN 0.952 nan 8.310 nan 0.000 0.515 214 G N 2.195 110.981 108.800 -0.022 0.000 2.213 214 G HA2 -0.194 3.771 3.960 0.008 0.000 0.226 214 G HA3 -0.194 3.771 3.960 0.008 0.000 0.226 214 G C 0.209 175.096 174.900 -0.021 0.000 0.992 214 G CA 0.346 45.435 45.100 -0.019 0.000 0.632 214 G HN 1.518 nan 8.290 nan 0.000 0.511 215 T N -2.063 112.474 114.554 -0.028 0.000 2.841 215 T HA 0.593 4.947 4.350 0.008 0.000 0.283 215 T C -0.146 174.526 174.700 -0.046 0.000 1.000 215 T CA -0.090 61.988 62.100 -0.037 0.000 0.977 215 T CB 2.206 71.049 68.868 -0.043 0.000 0.979 215 T HN 1.089 nan 8.240 nan 0.000 0.446 216 c N 5.392 123.964 118.600 -0.046 0.000 2.319 216 c HA 0.730 5.305 4.570 0.008 0.000 0.335 216 c C -0.417 173.621 174.090 -0.087 0.000 1.274 216 c CA -0.972 55.330 56.329 -0.046 0.000 1.806 216 c CB -0.914 41.586 42.510 -0.017 0.000 2.329 216 c HN 0.841 nan 8.230 nan 0.000 0.524 217 I N 6.826 127.330 120.570 -0.110 0.000 2.330 217 I HA 0.394 4.568 4.170 0.008 0.000 0.289 217 I C 0.724 176.784 176.117 -0.095 0.000 1.001 217 I CA 0.275 61.459 61.300 -0.193 0.000 1.193 217 I CB 0.870 38.692 38.000 -0.297 0.000 1.345 217 I HN 0.894 nan 8.210 nan 0.000 0.461 218 T N 0.750 115.260 114.554 -0.074 0.000 2.858 218 T HA 0.439 4.794 4.350 0.008 0.000 0.285 218 T C -0.072 174.612 174.700 -0.026 0.000 1.052 218 T CA -0.629 61.451 62.100 -0.033 0.000 1.009 218 T CB 1.853 70.703 68.868 -0.031 0.000 1.241 218 T HN 0.486 nan 8.240 nan 0.000 0.542 219 D N 1.834 122.220 120.400 -0.024 0.000 2.735 219 D HA -0.091 4.553 4.640 0.008 0.000 0.235 219 D C -2.312 173.953 176.300 -0.059 0.000 1.175 219 D CA 0.187 54.164 54.000 -0.038 0.000 0.683 219 D CB -0.600 40.160 40.800 -0.067 0.000 1.008 219 D HN 0.525 nan 8.370 nan 0.000 0.416 220 P HA 0.293 nan 4.420 nan 0.000 0.274 220 P C -0.256 176.969 177.300 -0.125 0.000 1.231 220 P CA -0.571 62.473 63.100 -0.093 0.000 0.790 220 P CB 1.122 32.822 31.700 -0.000 0.000 0.951 221 L N 2.620 123.716 121.223 -0.211 0.000 2.431 221 L HA 0.655 5.000 4.340 0.008 0.000 0.266 221 L C -1.810 175.025 176.870 -0.059 0.000 0.978 221 L CA -1.111 53.656 54.840 -0.122 0.000 0.822 221 L CB 1.972 43.966 42.059 -0.108 0.000 1.310 221 L HN 0.183 nan 8.230 nan 0.000 0.409 222 L N 4.750 126.010 121.223 0.062 0.000 2.436 222 L HA 0.929 5.274 4.340 0.008 0.000 0.268 222 L C -1.160 175.800 176.870 0.150 0.000 0.974 222 L CA -0.113 54.822 54.840 0.158 0.000 0.826 222 L CB 1.806 43.971 42.059 0.176 0.000 1.291 222 L HN 0.743 nan 8.230 nan 0.000 0.406 223 A N 5.680 128.604 122.820 0.173 0.000 2.475 223 A HA 0.970 5.295 4.320 0.008 0.000 0.301 223 A C -1.273 176.484 177.584 0.288 0.000 1.059 223 A CA -0.581 51.590 52.037 0.222 0.000 0.710 223 A CB 1.718 20.850 19.000 0.220 0.000 1.288 223 A HN 0.675 nan 8.150 nan 0.000 0.408 224 M N 1.482 121.280 119.600 0.330 0.000 2.371 224 M HA 0.490 4.974 4.480 0.008 0.000 0.287 224 M C -1.980 174.486 176.300 0.276 0.000 1.149 224 M CA -0.462 55.011 55.300 0.289 0.000 0.929 224 M CB 2.716 35.392 32.600 0.127 0.000 1.683 224 M HN 0.770 nan 8.290 nan 0.000 0.470 225 D N 1.697 122.205 120.400 0.181 0.000 2.836 225 D HA 0.194 4.839 4.640 0.008 0.000 0.215 225 D C -0.858 175.353 176.300 -0.148 0.000 1.255 225 D CA 0.242 54.290 54.000 0.079 0.000 0.822 225 D CB 1.510 42.408 40.800 0.164 0.000 1.656 225 D HN 0.765 nan 8.370 nan 0.000 0.511 226 E N 1.585 121.727 120.200 -0.097 0.000 2.440 226 E HA -0.239 4.115 4.350 0.008 0.000 0.246 226 E C 0.720 177.082 176.600 -0.397 0.000 1.165 226 E CA 0.872 57.175 56.400 -0.163 0.000 0.726 226 E CB -1.518 28.133 29.700 -0.081 0.000 1.271 226 E HN 0.975 nan 8.360 nan 0.000 0.397 227 G N -1.318 107.232 108.800 -0.416 0.000 2.176 227 G HA2 -0.341 3.624 3.960 0.008 0.000 0.253 227 G HA3 -0.341 3.624 3.960 0.008 0.000 0.253 227 G C -0.156 174.328 174.900 -0.694 0.000 0.979 227 G CA 0.650 45.397 45.100 -0.588 0.000 0.641 227 G HN 0.289 nan 8.290 nan 0.000 0.530 228 Y N -0.396 119.794 120.300 -0.182 0.000 2.587 228 Y HA 0.772 5.326 4.550 0.008 0.000 0.337 228 Y C 0.269 176.274 175.900 0.174 0.000 1.065 228 Y CA -1.501 56.562 58.100 -0.062 0.000 1.126 228 Y CB 1.338 39.667 38.460 -0.217 0.000 1.279 228 Y HN 0.424 nan 8.280 nan 0.000 0.489 229 F N -0.422 119.702 119.950 0.291 0.000 2.613 229 F HA 0.995 5.527 4.527 0.008 0.000 0.314 229 F C -1.280 174.454 175.800 -0.111 0.000 1.075 229 F CA -1.592 56.487 58.000 0.132 0.000 0.945 229 F CB 1.231 40.246 39.000 0.026 0.000 1.310 229 F HN 0.547 nan 8.300 nan 0.000 0.467 230 A N 2.075 124.701 122.820 -0.323 0.000 2.374 230 A HA 0.795 5.119 4.320 0.008 0.000 0.317 230 A C -2.344 175.320 177.584 0.133 0.000 1.094 230 A CA -0.774 50.993 52.037 -0.450 0.000 0.765 230 A CB 1.316 19.706 19.000 -1.017 0.000 1.268 230 A HN 1.143 nan 8.150 nan 0.000 0.438 231 Y N 0.709 121.024 120.300 0.025 0.000 2.513 231 Y HA 0.660 5.214 4.550 0.007 0.000 0.340 231 Y C -0.540 175.355 175.900 -0.008 0.000 1.055 231 Y CA -0.308 57.844 58.100 0.088 0.000 1.020 231 Y CB 2.024 40.617 38.460 0.221 0.000 1.301 231 Y HN 0.855 nan 8.280 nan 0.000 0.453 232 S N 4.702 119.886 115.700 -0.860 0.000 2.541 232 S HA 0.660 5.135 4.470 0.008 0.000 0.271 232 S C -1.849 172.269 174.600 -0.803 0.000 1.133 232 S CA -0.482 57.311 58.200 -0.678 0.000 0.876 232 S CB 0.943 63.967 63.200 -0.294 0.000 1.105 232 S HN 0.986 nan 8.310 nan 0.000 0.470 233 H N 1.365 120.175 119.070 -0.433 0.000 3.017 233 H HA 0.687 5.248 4.556 0.008 0.000 0.346 233 H C -1.988 173.245 175.328 -0.158 0.000 1.286 233 H CA -1.027 54.868 56.048 -0.255 0.000 1.120 233 H CB 1.069 30.749 29.762 -0.136 0.000 1.860 233 H HN 0.491 nan 8.280 nan 0.000 0.542 234 L N 1.733 123.025 121.223 0.115 0.000 2.296 234 L HA 0.329 4.673 4.340 0.008 0.000 0.286 234 L C -0.558 176.320 176.870 0.014 0.000 1.023 234 L CA -0.124 54.736 54.840 0.033 0.000 0.812 234 L CB 1.459 43.475 42.059 -0.072 0.000 1.223 234 L HN 0.681 nan 8.230 nan 0.000 0.421 235 E N 5.377 125.595 120.200 0.030 0.000 2.197 235 E HA 0.501 4.856 4.350 0.008 0.000 0.281 235 E C -0.939 175.637 176.600 -0.040 0.000 0.995 235 E CA -0.558 55.819 56.400 -0.038 0.000 0.808 235 E CB 1.218 30.918 29.700 -0.000 0.000 1.093 235 E HN 0.467 nan 8.360 nan 0.000 0.394 236 R N 2.872 123.344 120.500 -0.046 0.000 2.439 236 R HA 0.401 4.746 4.340 0.008 0.000 0.310 236 R C -0.327 175.956 176.300 -0.029 0.000 0.955 236 R CA -0.713 55.367 56.100 -0.035 0.000 0.853 236 R CB 1.472 31.753 30.300 -0.031 0.000 1.171 236 R HN 0.469 nan 8.270 nan 0.000 0.449 237 I N 3.798 124.354 120.570 -0.023 0.000 2.578 237 I HA -0.008 4.166 4.170 0.008 0.000 0.286 237 I C 1.291 177.399 176.117 -0.014 0.000 1.126 237 I CA 1.150 62.439 61.300 -0.018 0.000 1.380 237 I CB 0.083 38.074 38.000 -0.016 0.000 1.408 237 I HN 1.034 nan 8.210 nan 0.000 0.532 238 G N 4.964 113.756 108.800 -0.013 0.000 2.650 238 G HA2 -0.295 3.670 3.960 0.008 0.000 0.264 238 G HA3 -0.295 3.670 3.960 0.008 0.000 0.264 238 G C 0.216 175.115 174.900 -0.003 0.000 1.263 238 G CA 0.118 45.214 45.100 -0.007 0.000 0.960 238 G HN 0.709 nan 8.290 nan 0.000 0.548 239 S N -0.257 115.444 115.700 0.001 0.000 2.580 239 S HA 0.434 4.908 4.470 0.008 0.000 0.266 239 S C 0.945 175.547 174.600 0.004 0.000 1.354 239 S CA 0.555 58.759 58.200 0.007 0.000 1.008 239 S CB -0.048 63.156 63.200 0.007 0.000 0.898 239 S HN 1.176 nan 8.310 nan 0.000 0.555 244 V N 0.889 120.797 119.914 -0.011 0.000 2.841 244 V HA 0.528 4.652 4.120 0.008 0.000 0.258 244 V C -0.306 175.774 176.094 -0.024 0.000 0.973 244 V CA -0.236 62.056 62.300 -0.013 0.000 0.921 244 V CB 0.800 32.617 31.823 -0.010 0.000 1.053 244 V HN 1.143 nan 8.190 nan 0.000 0.498 245 S N 5.159 120.839 115.700 -0.033 0.000 2.575 245 S HA 0.072 4.546 4.470 0.008 0.000 0.295 245 S C 0.927 175.500 174.600 -0.046 0.000 1.267 245 S CA 0.802 58.971 58.200 -0.051 0.000 1.074 245 S CB 1.128 64.281 63.200 -0.078 0.000 0.829 245 S HN 0.933 nan 8.310 nan 0.000 0.497 246 K N 2.359 122.733 120.400 -0.044 0.000 2.262 246 K HA 0.194 4.519 4.320 0.008 0.000 0.200 246 K C 0.411 176.981 176.600 -0.049 0.000 1.058 246 K CA 0.317 56.581 56.287 -0.039 0.000 0.974 246 K CB 0.301 32.785 32.500 -0.027 0.000 0.910 246 K HN 0.660 nan 8.250 nan 0.000 0.484 247 Q N 0.551 120.321 119.800 -0.051 0.000 2.364 247 Q HA 0.198 4.542 4.340 0.008 0.000 0.257 247 Q C -1.955 174.005 176.000 -0.066 0.000 0.956 247 Q CA -0.824 54.940 55.803 -0.065 0.000 0.924 247 Q CB 1.789 30.507 28.738 -0.033 0.000 1.413 247 Q HN 0.089 nan 8.270 nan 0.000 0.418 248 R N 3.403 123.816 120.500 -0.145 0.000 2.265 248 R HA 0.560 4.904 4.340 0.008 0.000 0.319 248 R C -1.082 175.081 176.300 -0.228 0.000 1.006 248 R CA -0.270 55.722 56.100 -0.180 0.000 0.880 248 R CB 0.521 30.668 30.300 -0.256 0.000 1.077 248 R HN 0.593 nan 8.270 nan 0.000 0.454 249 I N 2.212 122.647 120.570 -0.225 0.000 2.474 249 I HA 0.580 4.755 4.170 0.008 0.000 0.294 249 I C -1.082 174.899 176.117 -0.227 0.000 1.005 249 I CA -0.527 60.625 61.300 -0.247 0.000 1.113 249 I CB 1.652 39.503 38.000 -0.247 0.000 1.289 249 I HN 0.596 nan 8.210 nan 0.000 0.436 250 I N 6.020 126.521 120.570 -0.115 0.000 2.439 250 I HA 0.757 4.931 4.170 0.008 0.000 0.285 250 I C 0.164 176.327 176.117 0.077 0.000 1.021 250 I CA -0.410 60.889 61.300 -0.001 0.000 1.091 250 I CB 1.698 39.782 38.000 0.138 0.000 1.242 250 I HN 0.920 nan 8.210 nan 0.000 0.439 251 G N 4.915 113.756 108.800 0.068 0.000 2.619 251 G HA2 0.786 4.750 3.960 0.008 0.000 0.296 251 G HA3 0.786 4.750 3.960 0.008 0.000 0.296 251 G C -1.118 173.743 174.900 -0.065 0.000 1.334 251 G CA -0.623 44.509 45.100 0.052 0.000 0.934 251 G HN 0.484 nan 8.290 nan 0.000 0.476 252 V N -1.870 117.927 119.914 -0.195 0.000 3.141 252 V HA 1.094 5.218 4.120 0.008 0.000 0.312 252 V C 0.346 176.042 176.094 -0.663 0.000 1.157 252 V CA -0.002 62.014 62.300 -0.473 0.000 1.041 252 V CB 1.432 33.134 31.823 -0.202 0.000 1.071 252 V HN 2.013 nan 8.190 nan 0.000 0.441 253 G N 0.614 108.818 108.800 -0.993 0.000 2.348 253 G HA2 0.508 4.472 3.960 0.008 0.000 0.296 253 G HA3 0.508 4.472 3.960 0.008 0.000 0.296 253 G C -1.787 173.042 174.900 -0.119 0.000 1.258 253 G CA -0.638 44.140 45.100 -0.537 0.000 0.868 253 G HN 0.859 nan 8.290 nan 0.000 0.488 254 E N -0.873 119.500 120.200 0.290 0.000 2.207 254 E HA 0.549 4.904 4.350 0.008 0.000 0.270 254 E C -0.893 175.941 176.600 0.390 0.000 0.927 254 E CA -0.761 55.819 56.400 0.300 0.000 0.799 254 E CB 2.878 32.678 29.700 0.167 0.000 1.172 254 E HN 0.217 nan 8.360 nan 0.000 0.404 255 V N 4.620 124.611 119.914 0.128 0.000 2.364 255 V HA 0.354 4.478 4.120 0.008 0.000 0.272 255 V C -0.241 175.813 176.094 -0.066 0.000 1.036 255 V CA -0.263 62.024 62.300 -0.022 0.000 0.880 255 V CB 0.152 31.786 31.823 -0.315 0.000 0.991 255 V HN 0.460 nan 8.190 nan 0.000 0.460 256 L N 2.894 124.160 121.223 0.071 0.000 2.393 256 L HA 0.556 4.901 4.340 0.008 0.000 0.260 256 L C -0.360 176.525 176.870 0.025 0.000 1.002 256 L CA -0.900 53.933 54.840 -0.011 0.000 0.818 256 L CB 2.242 44.209 42.059 -0.153 0.000 1.369 256 L HN 0.424 nan 8.230 nan 0.000 0.412 257 D N 1.619 121.979 120.400 -0.066 0.000 2.434 257 D HA -0.012 4.633 4.640 0.008 0.000 0.252 257 D C 1.121 177.413 176.300 -0.013 0.000 1.185 257 D CA 0.091 54.045 54.000 -0.076 0.000 0.886 257 D CB 1.022 41.769 40.800 -0.087 0.000 1.148 257 D HN 0.549 nan 8.370 nan 0.000 0.483 258 R N 3.026 123.555 120.500 0.048 0.000 2.276 258 R HA 0.077 4.421 4.340 0.008 0.000 0.203 258 R C 1.165 177.499 176.300 0.055 0.000 1.017 258 R CA 0.792 56.988 56.100 0.161 0.000 1.010 258 R CB 0.236 30.620 30.300 0.141 0.000 0.900 258 R HN 0.503 nan 8.270 nan 0.000 0.469 259 G N 1.358 110.157 108.800 -0.002 0.000 3.110 259 G HA2 -0.208 3.756 3.960 0.008 0.000 0.205 259 G HA3 -0.208 3.756 3.960 0.008 0.000 0.205 259 G C -0.152 174.742 174.900 -0.010 0.000 1.019 259 G CA 0.104 45.198 45.100 -0.010 0.000 0.826 259 G HN 0.469 nan 8.290 nan 0.000 0.481 260 D N 0.739 121.132 120.400 -0.011 0.000 2.696 260 D HA 0.328 4.972 4.640 0.008 0.000 0.269 260 D C 0.642 176.947 176.300 0.008 0.000 1.319 260 D CA 0.190 54.190 54.000 0.001 0.000 0.826 260 D CB -0.399 40.405 40.800 0.006 0.000 1.086 260 D HN 0.574 nan 8.370 nan 0.000 0.481 261 E N -1.405 118.787 120.200 -0.012 0.000 3.413 261 E HA -0.133 4.221 4.350 0.008 0.000 0.300 261 E C -0.730 175.808 176.600 -0.103 0.000 0.891 261 E CA 0.458 56.856 56.400 -0.002 0.000 1.050 261 E CB -1.469 28.285 29.700 0.091 0.000 1.534 261 E HN 0.235 nan 8.360 nan 0.000 0.436 262 V N 1.423 121.206 119.914 -0.217 0.000 2.448 262 V HA 0.370 4.495 4.120 0.008 0.000 0.295 262 V C -1.903 173.904 176.094 -0.478 0.000 1.025 262 V CA -1.679 60.317 62.300 -0.507 0.000 0.859 262 V CB 1.592 33.282 31.823 -0.222 0.000 0.988 262 V HN -0.046 nan 8.190 nan 0.000 0.431 263 P HA 0.412 nan 4.420 nan 0.000 0.275 263 P C -0.504 176.668 177.300 -0.215 0.000 1.228 263 P CA -0.022 62.877 63.100 -0.335 0.000 0.786 263 P CB 1.469 33.022 31.700 -0.244 0.000 0.927 264 S N 0.505 116.131 115.700 -0.123 0.000 2.705 264 S HA 0.551 5.026 4.470 0.008 0.000 0.280 264 S C -0.806 173.609 174.600 -0.307 0.000 1.174 264 S CA -0.695 57.351 58.200 -0.257 0.000 0.823 264 S CB 0.855 63.842 63.200 -0.355 0.000 1.162 264 S HN 0.269 nan 8.310 nan 0.000 0.487 265 L N 1.827 122.709 121.223 -0.567 0.000 2.296 265 L HA 0.574 4.919 4.340 0.008 0.000 0.286 265 L C -1.575 174.972 176.870 -0.539 0.000 1.023 265 L CA -0.271 54.228 54.840 -0.567 0.000 0.812 265 L CB 0.559 41.976 42.059 -1.069 0.000 1.223 265 L HN 0.516 nan 8.230 nan 0.000 0.421 266 F N 3.161 123.207 119.950 0.160 0.000 2.382 266 F HA 0.401 4.933 4.527 0.008 0.000 0.361 266 F C 0.393 176.362 175.800 0.281 0.000 1.109 266 F CA -0.650 57.444 58.000 0.157 0.000 1.031 266 F CB 1.765 40.809 39.000 0.073 0.000 1.234 266 F HN 0.397 nan 8.300 nan 0.000 0.445 267 M N 2.397 122.196 119.600 0.333 0.000 2.238 267 M HA 0.169 4.654 4.480 0.008 0.000 0.347 267 M C 0.822 177.200 176.300 0.131 0.000 1.173 267 M CA 0.976 56.414 55.300 0.231 0.000 1.147 267 M CB 0.842 33.538 32.600 0.161 0.000 1.547 267 M HN 0.673 nan 8.290 nan 0.000 0.455 268 T N 1.850 116.430 114.554 0.042 0.000 2.966 268 T HA 0.282 4.637 4.350 0.008 0.000 0.254 268 T C -0.784 173.924 174.700 0.015 0.000 0.961 268 T CA -0.067 62.054 62.100 0.034 0.000 0.915 268 T CB 0.098 68.976 68.868 0.017 0.000 1.186 268 T HN 0.678 nan 8.240 nan 0.000 0.505 269 N N 0.709 119.407 118.700 -0.003 0.000 2.648 269 N HA 0.342 5.087 4.740 0.008 0.000 0.272 269 N C -1.945 173.585 175.510 0.033 0.000 1.118 269 N CA -0.177 52.880 53.050 0.012 0.000 0.973 269 N CB 1.550 40.028 38.487 -0.014 0.000 1.565 269 N HN -0.082 nan 8.380 nan 0.000 0.542 270 V N 3.010 122.966 119.914 0.070 0.000 2.540 270 V HA 0.606 4.730 4.120 0.008 0.000 0.302 270 V C -0.897 175.303 176.094 0.177 0.000 1.035 270 V CA -0.700 61.657 62.300 0.096 0.000 0.873 270 V CB 1.691 33.550 31.823 0.060 0.000 0.992 270 V HN 0.687 nan 8.190 nan 0.000 0.428 271 W N 3.493 124.777 121.300 -0.027 0.000 2.702 271 W HA 0.719 5.383 4.660 0.007 0.000 0.331 271 W C -0.457 176.042 176.519 -0.033 0.000 1.049 271 W CA -0.500 56.829 57.345 -0.026 0.000 1.230 271 W CB 2.043 31.484 29.460 -0.030 0.000 1.408 271 W HN 0.496 nan 8.180 nan 0.000 0.492 272 T N 7.844 122.023 114.554 -0.625 0.000 2.842 272 T HA 0.319 4.674 4.350 0.008 0.000 0.308 272 T C -2.485 171.585 174.700 -1.050 0.000 1.041 272 T CA -1.137 60.555 62.100 -0.680 0.000 0.964 272 T CB 1.111 69.804 68.868 -0.291 0.000 0.972 272 T HN 0.099 nan 8.240 nan 0.000 0.460 273 P HA 0.101 nan 4.420 nan 0.000 0.267 273 P C -1.504 175.580 177.300 -0.360 0.000 1.200 273 P CA -1.154 61.424 63.100 -0.871 0.000 0.772 273 P CB 0.330 31.600 31.700 -0.717 0.000 0.855 274 P HA -0.137 nan 4.420 nan 0.000 0.217 274 P C 0.153 177.406 177.300 -0.077 0.000 1.150 274 P CA 1.600 64.655 63.100 -0.074 0.000 0.832 274 P CB 0.277 31.978 31.700 0.001 0.000 0.787 275 N N -0.125 118.528 118.700 -0.079 0.000 2.569 275 N HA 0.162 4.907 4.740 0.008 0.000 0.254 275 N C -1.954 173.490 175.510 -0.109 0.000 1.004 275 N CA -2.287 50.722 53.050 -0.068 0.000 0.904 275 N CB 1.502 39.974 38.487 -0.025 0.000 1.165 275 N HN -0.119 nan 8.380 nan 0.000 0.513 276 P HA -0.015 nan 4.420 nan 0.000 0.226 276 P C 0.310 177.487 177.300 -0.204 0.000 1.153 276 P CA 0.742 63.734 63.100 -0.180 0.000 0.777 276 P CB 0.530 32.137 31.700 -0.155 0.000 0.794 277 N N -0.194 118.430 118.700 -0.126 0.000 2.515 277 N HA -0.027 4.717 4.740 0.008 0.000 0.185 277 N C 1.298 176.791 175.510 -0.028 0.000 1.109 277 N CA 1.376 54.372 53.050 -0.089 0.000 0.903 277 N CB -0.195 38.288 38.487 -0.006 0.000 0.969 277 N HN 0.354 nan 8.380 nan 0.000 0.450 278 T N -3.314 111.213 114.554 -0.045 0.000 3.023 278 T HA 0.220 4.575 4.350 0.008 0.000 0.253 278 T C 0.541 175.299 174.700 0.098 0.000 1.038 278 T CA -0.160 62.007 62.100 0.111 0.000 0.962 278 T CB 0.249 69.174 68.868 0.094 0.000 1.018 278 T HN -0.254 nan 8.240 nan 0.000 0.521 279 V N 2.096 121.889 119.914 -0.202 0.000 2.398 279 V HA 0.599 4.724 4.120 0.008 0.000 0.286 279 V C -1.262 174.560 176.094 -0.452 0.000 1.026 279 V CA -0.934 61.267 62.300 -0.164 0.000 0.868 279 V CB 0.606 32.336 31.823 -0.154 0.000 0.982 279 V HN 0.434 nan 8.190 nan 0.000 0.443 280 Y N 2.090 122.341 120.300 -0.082 0.000 2.581 280 Y HA 0.524 5.078 4.550 0.007 0.000 0.345 280 Y C 0.538 176.376 175.900 -0.102 0.000 1.036 280 Y CA -1.068 56.908 58.100 -0.207 0.000 1.042 280 Y CB 1.465 39.752 38.460 -0.290 0.000 1.289 280 Y HN 0.702 nan 8.280 nan 0.000 0.471 281 H N -0.831 118.341 119.070 0.170 0.000 2.604 281 H HA -0.197 4.364 4.556 0.007 0.000 0.321 281 H C -0.408 174.989 175.328 0.115 0.000 1.132 281 H CA 0.156 56.296 56.048 0.154 0.000 1.129 281 H CB -1.667 28.199 29.762 0.173 0.000 1.526 281 H HN 0.564 nan 8.280 nan 0.000 0.415 282 c N 0.708 119.386 118.600 0.131 0.000 2.676 282 c HA 0.420 4.995 4.570 0.008 0.000 0.416 282 c C 1.344 175.524 174.090 0.151 0.000 1.299 282 c CA 0.169 56.565 56.329 0.112 0.000 2.048 282 c CB 1.234 43.778 42.510 0.057 0.000 2.713 282 c HN 0.697 nan 8.230 nan 0.000 0.624 283 S N 0.678 116.493 115.700 0.191 0.000 2.546 283 S HA 0.747 5.222 4.470 0.008 0.000 0.272 283 S C -0.904 173.982 174.600 0.476 0.000 1.140 283 S CA -0.291 58.098 58.200 0.314 0.000 0.920 283 S CB 1.245 64.682 63.200 0.395 0.000 1.083 283 S HN 1.109 nan 8.310 nan 0.000 0.476 284 A N 3.265 126.361 122.820 0.459 0.000 2.342 284 A HA 0.852 5.177 4.320 0.008 0.000 0.323 284 A C -1.188 176.704 177.584 0.513 0.000 1.125 284 A CA -0.556 51.787 52.037 0.511 0.000 0.785 284 A CB 1.346 20.502 19.000 0.259 0.000 1.221 284 A HN 0.805 nan 8.150 nan 0.000 0.463 285 V N 2.337 122.547 119.914 0.494 0.000 2.638 285 V HA 0.317 4.441 4.120 0.008 0.000 0.306 285 V C -1.040 175.185 176.094 0.220 0.000 1.052 285 V CA -0.566 61.857 62.300 0.205 0.000 0.885 285 V CB 1.626 33.234 31.823 -0.359 0.000 0.999 285 V HN 0.863 nan 8.190 nan 0.000 0.424 286 Y N 4.563 124.728 120.300 -0.226 0.000 2.299 286 Y HA 0.686 5.241 4.550 0.008 0.000 0.326 286 Y C -0.022 175.820 175.900 -0.097 0.000 1.164 286 Y CA -0.066 57.710 58.100 -0.540 0.000 1.234 286 Y CB 1.179 39.162 38.460 -0.794 0.000 1.219 286 Y HN 0.720 nan 8.280 nan 0.000 0.497 287 N N 4.340 122.515 118.700 -0.876 0.000 2.537 287 N HA 0.120 4.864 4.740 0.008 0.000 0.281 287 N C -1.712 173.454 175.510 -0.573 0.000 1.097 287 N CA -0.524 52.178 53.050 -0.579 0.000 0.964 287 N CB 0.764 39.163 38.487 -0.146 0.000 1.588 287 N HN 0.762 nan 8.380 nan 0.000 0.511 288 N N 3.376 121.787 118.700 -0.482 0.000 2.667 288 N HA -0.273 4.472 4.740 0.008 0.000 0.263 288 N C 0.086 175.469 175.510 -0.212 0.000 1.038 288 N CA 2.029 54.981 53.050 -0.162 0.000 0.749 288 N CB -0.844 37.649 38.487 0.010 0.000 0.892 288 N HN 0.838 nan 8.380 nan 0.000 0.546 289 E N -2.999 117.000 120.200 -0.335 0.000 4.028 289 E HA -0.277 4.077 4.350 0.008 0.000 0.343 289 E C -1.078 175.053 176.600 -0.781 0.000 0.700 289 E CA 1.310 57.447 56.400 -0.438 0.000 1.288 289 E CB -1.969 27.472 29.700 -0.431 0.000 1.677 289 E HN 0.355 nan 8.360 nan 0.000 0.424 290 F N -0.049 119.697 119.950 -0.339 0.000 2.577 290 F HA 0.626 5.158 4.527 0.008 0.000 0.318 290 F C -0.186 175.426 175.800 -0.313 0.000 1.065 290 F CA -0.957 56.822 58.000 -0.368 0.000 0.929 290 F CB 1.109 39.768 39.000 -0.568 0.000 1.237 290 F HN -0.049 nan 8.300 nan 0.000 0.468 291 Y N 1.080 121.389 120.300 0.015 0.000 2.330 291 Y HA 0.442 4.997 4.550 0.007 0.000 0.336 291 Y C -0.990 174.875 175.900 -0.059 0.000 1.036 291 Y CA -0.636 57.530 58.100 0.110 0.000 1.125 291 Y CB 1.080 39.621 38.460 0.135 0.000 1.194 291 Y HN 0.427 nan 8.280 nan 0.000 0.469 292 Y N 2.899 123.405 120.300 0.344 0.000 2.331 292 Y HA 0.531 5.085 4.550 0.007 0.000 0.338 292 Y C -0.623 175.515 175.900 0.396 0.000 0.992 292 Y CA -0.982 57.286 58.100 0.280 0.000 1.121 292 Y CB 1.275 39.900 38.460 0.274 0.000 1.184 292 Y HN 0.165 nan 8.280 nan 0.000 0.469 293 V N 5.557 125.667 119.914 0.327 0.000 2.407 293 V HA 0.293 4.418 4.120 0.008 0.000 0.291 293 V C -0.873 175.256 176.094 0.059 0.000 1.018 293 V CA -0.749 61.702 62.300 0.251 0.000 0.842 293 V CB 1.538 33.473 31.823 0.186 0.000 0.996 293 V HN 0.500 nan 8.190 nan 0.000 0.426 294 L N 6.475 127.636 121.223 -0.104 0.000 2.272 294 L HA 0.764 5.109 4.340 0.008 0.000 0.289 294 L C -0.358 176.458 176.870 -0.089 0.000 1.032 294 L CA 0.363 55.015 54.840 -0.313 0.000 0.810 294 L CB 0.800 42.287 42.059 -0.952 0.000 1.205 294 L HN 0.804 nan 8.230 nan 0.000 0.422 295 c N 3.138 121.736 118.600 -0.003 0.000 2.971 295 c HA 0.904 5.479 4.570 0.008 0.000 0.310 295 c C 0.372 174.542 174.090 0.132 0.000 1.285 295 c CA -1.064 55.316 56.329 0.086 0.000 1.593 295 c CB 1.325 43.896 42.510 0.102 0.000 2.076 295 c HN 0.989 nan 8.230 nan 0.000 0.472 296 A N 0.953 123.888 122.820 0.193 0.000 2.316 296 A HA 0.680 5.004 4.320 0.008 0.000 0.284 296 A C -0.568 177.190 177.584 0.291 0.000 1.115 296 A CA -0.154 52.049 52.037 0.277 0.000 0.812 296 A CB 0.260 19.327 19.000 0.111 0.000 1.064 296 A HN 0.788 nan 8.150 nan 0.000 0.489 297 V N 1.765 121.903 119.914 0.375 0.000 2.417 297 V HA 0.650 4.775 4.120 0.008 0.000 0.291 297 V C 0.218 176.583 176.094 0.451 0.000 1.024 297 V CA -0.236 62.260 62.300 0.326 0.000 0.861 297 V CB 1.401 33.355 31.823 0.218 0.000 0.985 297 V HN 0.924 nan 8.190 nan 0.000 0.436 298 S N 2.265 118.179 115.700 0.357 0.000 2.575 298 S HA 0.422 4.896 4.470 0.008 0.000 0.278 298 S C 0.615 175.355 174.600 0.233 0.000 1.139 298 S CA 0.097 58.481 58.200 0.306 0.000 0.954 298 S CB 1.871 65.052 63.200 -0.032 0.000 1.054 298 S HN 0.962 nan 8.310 nan 0.000 0.483 299 T N 0.926 115.597 114.554 0.194 0.000 3.107 299 T HA 0.138 4.493 4.350 0.008 0.000 0.249 299 T C 0.996 175.762 174.700 0.110 0.000 1.096 299 T CA 0.623 62.805 62.100 0.138 0.000 1.012 299 T CB -0.320 68.614 68.868 0.109 0.000 0.977 299 T HN 0.960 nan 8.240 nan 0.000 0.527 300 V N -2.646 117.328 119.914 0.100 0.000 3.070 300 V HA 0.765 4.889 4.120 0.008 0.000 0.345 300 V C 0.845 176.923 176.094 -0.027 0.000 1.403 300 V CA -0.241 62.092 62.300 0.055 0.000 1.155 300 V CB -0.746 31.148 31.823 0.117 0.000 1.140 300 V HN 0.750 nan 8.190 nan 0.000 0.505 301 G N 0.984 109.745 108.800 -0.065 0.000 2.545 301 G HA2 -0.209 3.756 3.960 0.008 0.000 0.216 301 G HA3 -0.209 3.756 3.960 0.008 0.000 0.216 301 G C -0.607 173.861 174.900 -0.719 0.000 1.314 301 G CA 0.031 45.025 45.100 -0.178 0.000 0.906 301 G HN 0.706 nan 8.290 nan 0.000 0.563 302 D N 1.315 121.346 120.400 -0.616 0.000 2.412 302 D HA 0.350 4.994 4.640 0.008 0.000 0.257 302 D C -0.557 175.487 176.300 -0.427 0.000 1.217 302 D CA -1.326 52.280 54.000 -0.657 0.000 0.897 302 D CB 1.098 41.822 40.800 -0.127 0.000 1.132 302 D HN 0.028 nan 8.370 nan 0.000 0.493 303 P HA -0.125 nan 4.420 nan 0.000 0.219 303 P C 1.617 178.794 177.300 -0.205 0.000 1.146 303 P CA 0.506 63.251 63.100 -0.591 0.000 0.808 303 P CB 0.298 31.184 31.700 -1.358 0.000 0.779 304 I N -1.352 119.186 120.570 -0.053 0.000 2.286 304 I HA -0.163 4.011 4.170 0.008 0.000 0.248 304 I C 2.059 178.222 176.117 0.076 0.000 1.115 304 I CA 1.617 62.964 61.300 0.077 0.000 1.392 304 I CB -1.160 36.903 38.000 0.106 0.000 1.065 304 I HN 0.032 nan 8.210 nan 0.000 0.418 305 L N -0.307 120.953 121.223 0.061 0.000 2.529 305 L HA 0.052 4.396 4.340 0.008 0.000 0.223 305 L C 0.718 177.610 176.870 0.037 0.000 1.113 305 L CA 0.420 55.295 54.840 0.058 0.000 0.861 305 L CB -0.157 41.953 42.059 0.084 0.000 1.012 305 L HN 0.182 nan 8.230 nan 0.000 0.461 306 N N -0.914 117.799 118.700 0.021 0.000 2.646 306 N HA 0.042 4.787 4.740 0.008 0.000 0.303 306 N C 1.118 176.689 175.510 0.101 0.000 1.921 306 N CA 0.191 53.269 53.050 0.045 0.000 0.872 306 N CB 0.578 39.065 38.487 0.000 0.000 1.327 306 N HN 0.033 nan 8.380 nan 0.000 0.492 307 S N -1.763 114.026 115.700 0.149 0.000 2.383 307 S HA -0.157 4.318 4.470 0.008 0.000 0.227 307 S C 1.899 176.668 174.600 0.281 0.000 1.026 307 S CA 1.762 60.055 58.200 0.154 0.000 0.981 307 S CB -0.696 62.729 63.200 0.375 0.000 0.818 307 S HN 0.400 nan 8.310 nan 0.000 0.472 308 T N -2.464 112.290 114.554 0.335 0.000 3.007 308 T HA 0.034 4.389 4.350 0.008 0.000 0.270 308 T C 1.297 176.061 174.700 0.107 0.000 1.107 308 T CA 0.699 62.942 62.100 0.239 0.000 1.118 308 T CB -0.593 68.305 68.868 0.050 0.000 0.889 308 T HN 0.536 nan 8.240 nan 0.000 0.506 309 Y N -0.943 119.396 120.300 0.065 0.000 2.444 309 Y HA 0.379 4.934 4.550 0.008 0.000 0.249 309 Y C 0.544 176.492 175.900 0.079 0.000 1.134 309 Y CA -1.914 56.211 58.100 0.041 0.000 1.261 309 Y CB 0.393 38.867 38.460 0.025 0.000 1.143 309 Y HN 0.291 nan 8.280 nan 0.000 0.523 310 W N 2.078 123.360 121.300 -0.031 0.000 2.303 310 W HA 0.121 4.786 4.660 0.008 0.000 0.318 310 W C 1.638 178.076 176.519 -0.136 0.000 1.362 310 W CA -0.179 57.100 57.345 -0.111 0.000 1.234 310 W CB 1.017 30.340 29.460 -0.229 0.000 1.248 310 W HN 0.096 nan 8.180 nan 0.000 0.546 311 S N 3.584 119.013 115.700 -0.451 0.000 2.474 311 S HA 0.033 4.508 4.470 0.008 0.000 0.235 311 S C 1.640 175.682 174.600 -0.931 0.000 0.997 311 S CA 0.843 58.722 58.200 -0.535 0.000 0.949 311 S CB -0.556 62.465 63.200 -0.299 0.000 0.766 311 S HN 1.724 nan 8.310 nan 0.000 0.517 312 G N 0.498 108.061 108.800 -2.062 0.000 2.143 312 G HA2 -0.249 3.716 3.960 0.008 0.000 0.249 312 G HA3 -0.249 3.716 3.960 0.008 0.000 0.249 312 G C 0.074 174.359 174.900 -1.025 0.000 0.981 312 G CA 0.105 43.917 45.100 -2.147 0.000 0.665 312 G HN 0.678 nan 8.290 nan 0.000 0.528 313 S N 0.319 115.666 115.700 -0.587 0.000 2.537 313 S HA 0.551 5.025 4.470 0.008 0.000 0.286 313 S C 0.512 175.196 174.600 0.139 0.000 1.299 313 S CA 0.156 58.291 58.200 -0.109 0.000 1.067 313 S CB 0.940 64.138 63.200 -0.004 0.000 0.864 313 S HN 0.481 nan 8.310 nan 0.000 0.494 314 L N 3.540 124.809 121.223 0.077 0.000 2.341 314 L HA 0.731 5.075 4.340 0.008 0.000 0.267 314 L C -0.282 176.616 176.870 0.047 0.000 1.009 314 L CA -0.845 54.058 54.840 0.106 0.000 0.819 314 L CB 1.722 43.818 42.059 0.061 0.000 1.323 314 L HN 0.658 nan 8.230 nan 0.000 0.425 315 M N 1.702 121.324 119.600 0.036 0.000 2.501 315 M HA 0.721 5.205 4.480 0.008 0.000 0.293 315 M C -1.243 175.021 176.300 -0.060 0.000 1.192 315 M CA -0.690 54.608 55.300 -0.003 0.000 0.886 315 M CB 2.631 35.258 32.600 0.045 0.000 1.710 315 M HN 0.505 nan 8.290 nan 0.000 0.457 316 M N 2.500 122.033 119.600 -0.111 0.000 2.134 316 M HA 0.548 5.033 4.480 0.008 0.000 0.310 316 M C -1.700 174.508 176.300 -0.153 0.000 0.966 316 M CA 0.271 55.477 55.300 -0.158 0.000 0.922 316 M CB 1.960 34.406 32.600 -0.256 0.000 1.537 316 M HN 0.839 nan 8.290 nan 0.000 0.424 317 T N 4.942 119.411 114.554 -0.142 0.000 2.797 317 T HA 0.555 4.909 4.350 0.008 0.000 0.279 317 T C -0.771 173.805 174.700 -0.207 0.000 0.991 317 T CA -0.702 61.232 62.100 -0.278 0.000 0.979 317 T CB 1.292 69.882 68.868 -0.464 0.000 0.943 317 T HN 0.658 nan 8.240 nan 0.000 0.444 318 R N 3.220 123.543 120.500 -0.295 0.000 2.387 318 R HA 0.636 4.980 4.340 0.008 0.000 0.314 318 R C -1.454 174.669 176.300 -0.294 0.000 0.958 318 R CA -0.679 55.188 56.100 -0.388 0.000 0.846 318 R CB 0.626 30.581 30.300 -0.575 0.000 1.147 318 R HN 0.577 nan 8.270 nan 0.000 0.447 319 L N 3.596 124.715 121.223 -0.174 0.000 2.381 319 L HA 0.519 4.863 4.340 0.008 0.000 0.274 319 L C -0.013 176.859 176.870 0.004 0.000 0.988 319 L CA -1.049 53.745 54.840 -0.077 0.000 0.824 319 L CB 1.988 44.028 42.059 -0.031 0.000 1.263 319 L HN 0.727 nan 8.230 nan 0.000 0.410 320 A N 2.272 125.048 122.820 -0.074 0.000 2.488 320 A HA 0.289 4.613 4.320 0.008 0.000 0.249 320 A C 1.168 178.617 177.584 -0.225 0.000 1.083 320 A CA -0.057 51.796 52.037 -0.306 0.000 0.768 320 A CB 0.594 19.239 19.000 -0.592 0.000 1.017 320 A HN 0.763 nan 8.150 nan 0.000 0.496 321 V N -0.369 119.363 119.914 -0.303 0.000 2.667 321 V HA 0.088 4.213 4.120 0.008 0.000 0.252 321 V C 0.509 176.489 176.094 -0.190 0.000 1.065 321 V CA 1.190 63.319 62.300 -0.286 0.000 1.083 321 V CB -0.561 30.872 31.823 -0.649 0.000 0.692 321 V HN 0.571 nan 8.190 nan 0.000 0.468 322 K N 2.383 122.683 120.400 -0.167 0.000 2.540 322 K HA 0.504 4.829 4.320 0.008 0.000 0.218 322 K C -2.779 173.856 176.600 0.058 0.000 1.017 322 K CA -1.876 54.393 56.287 -0.030 0.000 1.029 322 K CB 1.206 33.705 32.500 -0.002 0.000 1.348 322 K HN 0.380 nan 8.250 nan 0.000 0.508 323 P HA 0.172 nan 4.420 nan 0.000 0.274 323 P C -0.552 176.845 177.300 0.161 0.000 1.246 323 P CA -0.422 62.763 63.100 0.141 0.000 0.795 323 P CB 1.243 32.983 31.700 0.067 0.000 1.006 324 K N 0.358 120.880 120.400 0.203 0.000 2.221 324 K HA 0.350 4.675 4.320 0.008 0.000 0.258 324 K C -0.390 176.254 176.600 0.073 0.000 0.944 324 K CA -0.557 55.785 56.287 0.091 0.000 0.823 324 K CB 0.962 33.470 32.500 0.014 0.000 1.113 324 K HN 0.311 nan 8.250 nan 0.000 0.431 325 S N 3.545 119.267 115.700 0.038 0.000 2.516 325 S HA 0.032 4.506 4.470 0.008 0.000 0.282 325 S C -0.317 174.300 174.600 0.028 0.000 1.286 325 S CA -0.163 58.057 58.200 0.033 0.000 1.066 325 S CB 0.091 63.304 63.200 0.020 0.000 0.884 325 S HN 0.821 nan 8.310 nan 0.000 0.491 326 N N 1.578 120.299 118.700 0.035 0.000 2.714 326 N HA -0.143 4.602 4.740 0.008 0.000 0.253 326 N C 0.627 176.163 175.510 0.042 0.000 1.024 326 N CA 0.838 53.909 53.050 0.034 0.000 0.726 326 N CB -1.139 37.359 38.487 0.020 0.000 0.908 326 N HN 0.871 nan 8.380 nan 0.000 0.542 327 G N -0.966 107.879 108.800 0.075 0.000 3.088 327 G HA2 0.387 4.351 3.960 0.008 0.000 0.217 327 G HA3 0.387 4.351 3.960 0.008 0.000 0.217 327 G C 1.289 176.269 174.900 0.133 0.000 1.159 327 G CA 1.018 46.193 45.100 0.124 0.000 0.760 327 G HN 0.773 nan 8.290 nan 0.000 0.550 328 G N 0.549 109.400 108.800 0.085 0.000 2.698 328 G HA2 -0.251 3.714 3.960 0.008 0.000 0.337 328 G HA3 -0.251 3.714 3.960 0.008 0.000 0.337 328 G C 1.502 176.444 174.900 0.070 0.000 1.286 328 G CA 0.721 45.861 45.100 0.066 0.000 1.000 328 G HN 1.157 nan 8.290 nan 0.000 0.547 329 G N -0.868 107.964 108.800 0.053 0.000 2.848 329 G HA2 0.203 4.168 3.960 0.008 0.000 0.208 329 G HA3 0.203 4.168 3.960 0.008 0.000 0.208 329 G C 1.301 176.192 174.900 -0.016 0.000 1.152 329 G CA 1.493 46.601 45.100 0.014 0.000 0.789 329 G HN 0.760 nan 8.290 nan 0.000 0.531 330 Y N 1.537 121.819 120.300 -0.030 0.000 2.243 330 Y HA -0.016 4.539 4.550 0.008 0.000 0.293 330 Y C 2.402 178.371 175.900 0.116 0.000 1.124 330 Y CA 1.507 59.637 58.100 0.050 0.000 1.159 330 Y CB 0.015 38.514 38.460 0.063 0.000 1.008 330 Y HN 0.121 nan 8.280 nan 0.000 0.527 331 N N 0.224 118.937 118.700 0.022 0.000 2.106 331 N HA -0.084 4.660 4.740 0.008 0.000 0.188 331 N C -0.362 175.088 175.510 -0.101 0.000 1.029 331 N CA 1.326 54.340 53.050 -0.060 0.000 0.848 331 N CB -0.097 38.419 38.487 0.048 0.000 1.007 331 N HN 0.498 nan 8.380 nan 0.000 0.423 332 Q N -0.892 118.857 119.800 -0.086 0.000 2.284 332 Q HA 0.381 4.725 4.340 0.008 0.000 0.269 332 Q C -1.635 174.291 176.000 -0.123 0.000 1.026 332 Q CA -0.511 55.191 55.803 -0.168 0.000 0.831 332 Q CB 2.640 31.253 28.738 -0.208 0.000 1.322 332 Q HN 0.215 nan 8.270 nan 0.000 0.419 333 H N 0.895 119.763 119.070 -0.336 0.000 3.042 333 H HA 0.168 4.729 4.556 0.008 0.000 0.345 333 H C -1.684 173.462 175.328 -0.303 0.000 1.052 333 H CA -0.284 55.597 56.048 -0.279 0.000 1.311 333 H CB 1.705 31.320 29.762 -0.246 0.000 1.810 333 H HN 0.572 nan 8.280 nan 0.000 0.505 334 Q N 4.734 124.120 119.800 -0.689 0.000 2.286 334 Q HA 0.396 4.741 4.340 0.008 0.000 0.257 334 Q C -0.917 174.718 176.000 -0.607 0.000 0.941 334 Q CA -0.630 54.849 55.803 -0.540 0.000 0.912 334 Q CB 0.707 29.226 28.738 -0.365 0.000 1.192 334 Q HN 0.627 nan 8.270 nan 0.000 0.410 335 L N 2.921 123.960 121.223 -0.308 0.000 2.307 335 L HA 0.576 4.921 4.340 0.008 0.000 0.282 335 L C -0.163 176.658 176.870 -0.081 0.000 1.051 335 L CA -0.901 53.858 54.840 -0.136 0.000 0.804 335 L CB 1.536 43.610 42.059 0.024 0.000 1.197 335 L HN 0.696 nan 8.230 nan 0.000 0.431 336 A N 4.162 126.966 122.820 -0.027 0.000 2.354 336 A HA 0.516 4.841 4.320 0.008 0.000 0.281 336 A C -0.543 177.067 177.584 0.044 0.000 1.174 336 A CA -0.409 51.625 52.037 -0.005 0.000 0.828 336 A CB -0.030 18.973 19.000 0.004 0.000 1.099 336 A HN 0.494 nan 8.150 nan 0.000 0.516 337 L N 3.742 124.982 121.223 0.029 0.000 2.268 337 L HA 0.308 4.653 4.340 0.008 0.000 0.289 337 L C 1.863 178.759 176.870 0.043 0.000 1.064 337 L CA 0.188 55.064 54.840 0.062 0.000 0.824 337 L CB 0.789 42.864 42.059 0.027 0.000 1.202 337 L HN 0.920 nan 8.230 nan 0.000 0.433 338 R N 1.438 121.970 120.500 0.053 0.000 2.148 338 R HA 0.098 4.442 4.340 0.008 0.000 0.223 338 R C 0.457 176.771 176.300 0.023 0.000 1.088 338 R CA 0.767 56.884 56.100 0.030 0.000 0.985 338 R CB 0.248 30.563 30.300 0.026 0.000 0.880 338 R HN 0.498 nan 8.270 nan 0.000 0.451 339 S N -0.410 115.311 115.700 0.036 0.000 2.548 339 S HA 0.424 4.898 4.470 0.008 0.000 0.278 339 S C -1.384 173.243 174.600 0.046 0.000 1.150 339 S CA -0.957 57.261 58.200 0.030 0.000 0.907 339 S CB 1.296 64.513 63.200 0.028 0.000 1.108 339 S HN 0.235 nan 8.310 nan 0.000 0.459 340 I N 3.765 124.355 120.570 0.034 0.000 2.405 340 I HA 0.342 4.517 4.170 0.008 0.000 0.280 340 I C -0.065 176.089 176.117 0.062 0.000 1.027 340 I CA -0.413 60.916 61.300 0.050 0.000 1.161 340 I CB 1.553 39.564 38.000 0.018 0.000 1.300 340 I HN 0.609 nan 8.210 nan 0.000 0.463 341 E N 7.211 127.465 120.200 0.091 0.000 2.166 341 E HA 0.098 4.453 4.350 0.008 0.000 0.279 341 E C 0.280 176.976 176.600 0.161 0.000 1.095 341 E CA -0.078 56.387 56.400 0.108 0.000 0.888 341 E CB 0.858 30.621 29.700 0.104 0.000 1.041 341 E HN 0.593 nan 8.360 nan 0.000 0.414 342 K N 2.205 122.701 120.400 0.160 0.000 2.483 342 K HA 0.230 4.554 4.320 0.008 0.000 0.206 342 K C 1.004 177.788 176.600 0.306 0.000 1.086 342 K CA 0.024 56.442 56.287 0.218 0.000 1.052 342 K CB 0.753 33.321 32.500 0.113 0.000 0.904 342 K HN 0.557 nan 8.250 nan 0.000 0.557 343 G N 3.095 112.035 108.800 0.233 0.000 2.651 343 G HA2 -0.420 3.544 3.960 0.008 0.000 0.315 343 G HA3 -0.420 3.544 3.960 0.008 0.000 0.315 343 G C 0.655 175.655 174.900 0.166 0.000 1.258 343 G CA 0.698 45.926 45.100 0.215 0.000 1.002 343 G HN 0.366 nan 8.290 nan 0.000 0.551 344 R N -0.353 120.223 120.500 0.126 0.000 2.276 344 R HA 0.145 4.490 4.340 0.008 0.000 0.203 344 R C 0.513 176.751 176.300 -0.103 0.000 1.017 344 R CA 0.382 56.463 56.100 -0.031 0.000 1.010 344 R CB -0.083 30.138 30.300 -0.131 0.000 0.900 344 R HN 0.453 nan 8.270 nan 0.000 0.469 345 Y N 0.317 120.662 120.300 0.075 0.000 2.336 345 Y HA -0.063 4.491 4.550 0.008 0.000 0.331 345 Y C 1.347 177.253 175.900 0.009 0.000 1.211 345 Y CA -0.201 57.915 58.100 0.026 0.000 1.346 345 Y CB 0.585 38.997 38.460 -0.080 0.000 1.271 345 Y HN -0.151 nan 8.280 nan 0.000 0.538 346 D N 0.992 121.483 120.400 0.151 0.000 2.137 346 D HA 0.015 4.660 4.640 0.008 0.000 0.202 346 D C -0.340 175.946 176.300 -0.023 0.000 0.970 346 D CA 1.386 55.438 54.000 0.087 0.000 0.837 346 D CB 0.344 41.268 40.800 0.206 0.000 0.981 346 D HN 0.519 nan 8.370 nan 0.000 0.475 347 K N -0.960 119.413 120.400 -0.045 0.000 2.532 347 K HA 0.545 4.870 4.320 0.008 0.000 0.265 347 K C -1.335 175.291 176.600 0.043 0.000 0.948 347 K CA -0.991 55.217 56.287 -0.133 0.000 0.842 347 K CB 3.376 35.646 32.500 -0.383 0.000 1.392 347 K HN -0.149 nan 8.250 nan 0.000 0.436 348 V N -1.625 118.296 119.914 0.012 0.000 2.962 348 V HA 0.795 4.920 4.120 0.008 0.000 0.313 348 V C -0.908 175.320 176.094 0.224 0.000 1.099 348 V CA -0.821 61.460 62.300 -0.032 0.000 0.971 348 V CB 1.977 33.640 31.823 -0.267 0.000 1.028 348 V HN 0.898 nan 8.190 nan 0.000 0.430 349 M N 3.612 123.327 119.600 0.192 0.000 2.413 349 M HA 0.579 5.064 4.480 0.008 0.000 0.287 349 M C -3.089 173.311 176.300 0.167 0.000 1.186 349 M CA -1.627 53.815 55.300 0.237 0.000 0.927 349 M CB 3.135 35.843 32.600 0.180 0.000 1.715 349 M HN 0.626 nan 8.290 nan 0.000 0.478 350 P HA 0.031 nan 4.420 nan 0.000 0.268 350 P C -1.738 175.735 177.300 0.288 0.000 1.205 350 P CA 0.501 63.730 63.100 0.215 0.000 0.771 350 P CB 0.075 31.861 31.700 0.143 0.000 0.858 351 Y N 1.792 122.169 120.300 0.129 0.000 2.532 351 Y HA 0.455 5.010 4.550 0.008 0.000 0.318 351 Y C -0.131 175.834 175.900 0.108 0.000 1.138 351 Y CA -0.306 57.833 58.100 0.065 0.000 1.306 351 Y CB 0.691 39.146 38.460 -0.009 0.000 1.106 351 Y HN 0.810 nan 8.280 nan 0.000 0.588 352 G N 3.221 112.097 108.800 0.126 0.000 2.337 352 G HA2 0.023 3.988 3.960 0.008 0.000 0.310 352 G HA3 0.023 3.988 3.960 0.008 0.000 0.310 352 G C -2.977 171.977 174.900 0.090 0.000 1.534 352 G CA -0.818 44.303 45.100 0.034 0.000 0.982 352 G HN 0.066 nan 8.290 nan 0.000 0.672 353 P HA 0.076 nan 4.420 nan 0.000 0.219 353 P C 0.741 178.151 177.300 0.184 0.000 1.150 353 P CA 1.649 64.787 63.100 0.064 0.000 0.814 353 P CB 0.232 31.933 31.700 0.001 0.000 0.787 354 S N -2.715 113.126 115.700 0.235 0.000 2.567 354 S HA 0.710 5.185 4.470 0.008 0.000 0.270 354 S C -0.376 174.388 174.600 0.273 0.000 1.152 354 S CA -0.371 58.000 58.200 0.285 0.000 0.835 354 S CB 1.684 65.062 63.200 0.298 0.000 1.115 354 S HN 0.277 nan 8.310 nan 0.000 0.459 355 G N 0.132 109.067 108.800 0.226 0.000 3.135 355 G HA2 0.816 4.780 3.960 0.008 0.000 0.278 355 G HA3 0.816 4.780 3.960 0.008 0.000 0.278 355 G C -0.853 174.139 174.900 0.154 0.000 1.302 355 G CA -0.631 44.569 45.100 0.167 0.000 0.880 355 G HN 1.432 nan 8.290 nan 0.000 0.574 356 I N -2.285 118.362 120.570 0.128 0.000 2.957 356 I HA 0.787 4.961 4.170 0.008 0.000 0.310 356 I C -0.770 175.414 176.117 0.111 0.000 1.063 356 I CA -1.245 60.142 61.300 0.146 0.000 1.033 356 I CB 2.586 40.680 38.000 0.156 0.000 1.230 356 I HN 0.451 nan 8.210 nan 0.000 0.447 357 K N 2.868 123.334 120.400 0.110 0.000 2.259 357 K HA 0.495 4.819 4.320 0.008 0.000 0.252 357 K C -1.430 175.247 176.600 0.129 0.000 0.936 357 K CA -0.471 55.865 56.287 0.082 0.000 0.810 357 K CB 2.055 34.559 32.500 0.007 0.000 1.143 357 K HN 0.882 nan 8.250 nan 0.000 0.427 358 Q N 1.918 121.810 119.800 0.154 0.000 2.454 358 Q HA 0.345 4.689 4.340 0.008 0.000 0.255 358 Q C 0.178 176.225 176.000 0.078 0.000 1.034 358 Q CA -0.246 55.635 55.803 0.130 0.000 0.736 358 Q CB 1.357 30.203 28.738 0.180 0.000 1.210 358 Q HN 1.074 nan 8.270 nan 0.000 0.500 359 G N 3.529 112.358 108.800 0.048 0.000 2.574 359 G HA2 -0.407 3.558 3.960 0.008 0.000 0.301 359 G HA3 -0.407 3.558 3.960 0.008 0.000 0.301 359 G C 0.409 175.305 174.900 -0.008 0.000 1.166 359 G CA 0.601 45.714 45.100 0.023 0.000 0.971 359 G HN 0.757 nan 8.290 nan 0.000 0.542 360 D N 0.667 121.050 120.400 -0.027 0.000 2.340 360 D HA 0.271 4.915 4.640 0.008 0.000 0.220 360 D C 0.935 177.160 176.300 -0.125 0.000 1.039 360 D CA 1.236 55.194 54.000 -0.070 0.000 0.866 360 D CB -0.096 40.664 40.800 -0.067 0.000 0.913 360 D HN 0.491 nan 8.370 nan 0.000 0.523 361 T N 1.086 115.576 114.554 -0.106 0.000 2.779 361 T HA 0.486 4.841 4.350 0.008 0.000 0.280 361 T C 0.040 174.595 174.700 -0.242 0.000 0.987 361 T CA -0.712 61.269 62.100 -0.198 0.000 0.966 361 T CB 1.605 70.367 68.868 -0.178 0.000 0.933 361 T HN 0.015 nan 8.240 nan 0.000 0.442 362 L N 3.193 124.226 121.223 -0.316 0.000 2.325 362 L HA 0.556 4.901 4.340 0.008 0.000 0.279 362 L C -1.043 175.531 176.870 -0.492 0.000 1.054 362 L CA -1.002 53.651 54.840 -0.312 0.000 0.804 362 L CB 0.749 42.654 42.059 -0.256 0.000 1.200 362 L HN 0.649 nan 8.230 nan 0.000 0.436 363 Y N 1.808 122.029 120.300 -0.132 0.000 2.363 363 Y HA 0.437 4.991 4.550 0.008 0.000 0.325 363 Y C -0.495 175.376 175.900 -0.049 0.000 0.984 363 Y CA -0.450 57.651 58.100 0.001 0.000 1.248 363 Y CB 1.223 39.710 38.460 0.044 0.000 1.116 363 Y HN 0.278 nan 8.280 nan 0.000 0.470 364 F N 5.268 125.379 119.950 0.269 0.000 2.404 364 F HA 0.490 5.021 4.527 0.008 0.000 0.339 364 F C -2.004 173.964 175.800 0.280 0.000 1.105 364 F CA -2.644 55.507 58.000 0.251 0.000 1.087 364 F CB 1.066 40.189 39.000 0.204 0.000 1.143 364 F HN 0.263 nan 8.300 nan 0.000 0.491 365 P HA 0.306 nan 4.420 nan 0.000 0.268 365 P C -1.058 176.484 177.300 0.402 0.000 1.205 365 P CA 0.074 63.405 63.100 0.384 0.000 0.771 365 P CB 1.338 33.193 31.700 0.259 0.000 0.858 366 A N 2.366 125.438 122.820 0.419 0.000 2.588 366 A HA 0.726 5.051 4.320 0.008 0.000 0.290 366 A C -1.542 176.294 177.584 0.421 0.000 1.136 366 A CA -0.653 51.637 52.037 0.421 0.000 0.681 366 A CB 1.723 21.009 19.000 0.475 0.000 1.282 366 A HN 0.414 nan 8.150 nan 0.000 0.421 367 V N -0.548 119.512 119.914 0.242 0.000 2.888 367 V HA 0.781 4.906 4.120 0.008 0.000 0.309 367 V C 0.038 175.886 176.094 -0.409 0.000 1.114 367 V CA 0.376 62.671 62.300 -0.008 0.000 0.940 367 V CB 2.142 33.824 31.823 -0.235 0.000 1.021 367 V HN 1.763 nan 8.190 nan 0.000 0.426 368 G N 4.063 112.477 108.800 -0.644 0.000 2.416 368 G HA2 0.631 4.595 3.960 0.008 0.000 0.324 368 G HA3 0.631 4.595 3.960 0.008 0.000 0.324 368 G C -1.185 173.510 174.900 -0.341 0.000 1.194 368 G CA -0.470 44.088 45.100 -0.903 0.000 0.922 368 G HN 0.536 nan 8.290 nan 0.000 0.467 369 F N 1.930 121.756 119.950 -0.207 0.000 2.375 369 F HA 0.355 4.887 4.527 0.008 0.000 0.362 369 F C 0.235 176.006 175.800 -0.048 0.000 1.129 369 F CA -0.676 57.149 58.000 -0.292 0.000 1.154 369 F CB 1.526 40.072 39.000 -0.757 0.000 1.205 369 F HN 0.209 nan 8.300 nan 0.000 0.513 370 L N 4.598 125.964 121.223 0.238 0.000 2.307 370 L HA 0.552 4.896 4.340 0.008 0.000 0.284 370 L C -0.484 176.548 176.870 0.270 0.000 1.023 370 L CA -0.630 54.311 54.840 0.167 0.000 0.810 370 L CB 1.431 43.478 42.059 -0.021 0.000 1.231 370 L HN 0.267 nan 8.230 nan 0.000 0.423 371 V N 6.413 126.441 119.914 0.189 0.000 2.557 371 V HA -0.011 4.113 4.120 0.008 0.000 0.301 371 V C 1.783 177.822 176.094 -0.092 0.000 1.026 371 V CA 0.471 62.715 62.300 -0.093 0.000 1.137 371 V CB 0.332 32.053 31.823 -0.169 0.000 0.917 371 V HN 0.913 nan 8.190 nan 0.000 0.484 372 R N 3.491 123.887 120.500 -0.173 0.000 2.117 372 R HA -0.175 4.169 4.340 0.008 0.000 0.243 372 R C 2.098 178.413 176.300 0.024 0.000 1.143 372 R CA 2.113 58.180 56.100 -0.056 0.000 0.968 372 R CB -0.256 29.992 30.300 -0.086 0.000 0.863 372 R HN 0.952 nan 8.270 nan 0.000 0.444 373 T N -1.604 112.929 114.554 -0.035 0.000 3.007 373 T HA -0.011 4.343 4.350 0.008 0.000 0.270 373 T C 1.153 175.872 174.700 0.032 0.000 1.107 373 T CA 0.811 62.913 62.100 0.004 0.000 1.118 373 T CB 0.046 68.902 68.868 -0.021 0.000 0.889 373 T HN 0.233 nan 8.240 nan 0.000 0.506 374 E N 0.170 120.394 120.200 0.040 0.000 2.474 374 E HA 0.246 4.601 4.350 0.008 0.000 0.195 374 E C -0.153 176.516 176.600 0.114 0.000 1.039 374 E CA -0.420 56.008 56.400 0.047 0.000 0.881 374 E CB -0.055 29.650 29.700 0.010 0.000 0.970 374 E HN 0.543 nan 8.360 nan 0.000 0.486 375 F N 3.209 123.152 119.950 -0.011 0.000 2.506 375 F HA 0.066 4.597 4.527 0.007 0.000 0.371 375 F C 0.319 176.159 175.800 0.066 0.000 1.078 375 F CA -0.606 57.410 58.000 0.026 0.000 1.195 375 F CB 0.447 39.467 39.000 0.034 0.000 1.099 375 F HN -0.400 nan 8.300 nan 0.000 0.548 376 K N 7.871 128.092 120.400 -0.298 0.000 2.264 376 K HA 0.235 4.559 4.320 0.008 0.000 0.277 376 K C -1.551 174.739 176.600 -0.516 0.000 1.067 376 K CA -0.320 55.789 56.287 -0.297 0.000 0.900 376 K CB 1.090 33.505 32.500 -0.142 0.000 1.124 376 K HN 0.765 nan 8.250 nan 0.000 0.469 377 Y N 1.567 121.549 120.300 -0.530 0.000 2.482 377 Y HA 0.228 4.782 4.550 0.007 0.000 0.334 377 Y C -1.120 174.663 175.900 -0.195 0.000 1.091 377 Y CA -0.953 56.878 58.100 -0.448 0.000 1.027 377 Y CB 1.835 39.935 38.460 -0.599 0.000 1.306 377 Y HN 0.502 nan 8.280 nan 0.000 0.446 378 N N 3.938 122.296 118.700 -0.570 0.000 2.444 378 N HA 0.178 4.922 4.740 0.008 0.000 0.262 378 N C -0.148 175.194 175.510 -0.281 0.000 0.974 378 N CA -0.211 52.653 53.050 -0.310 0.000 0.933 378 N CB 1.264 39.581 38.487 -0.283 0.000 1.137 378 N HN 0.781 nan 8.380 nan 0.000 0.498 379 D N 1.390 121.821 120.400 0.050 0.000 2.264 379 D HA -0.075 4.570 4.640 0.008 0.000 0.208 379 D C 1.176 177.515 176.300 0.064 0.000 0.966 379 D CA 0.920 55.028 54.000 0.180 0.000 0.864 379 D CB 0.237 41.123 40.800 0.143 0.000 0.933 379 D HN 0.463 nan 8.370 nan 0.000 0.499 380 S N 0.769 116.459 115.700 -0.017 0.000 2.419 380 S HA -0.117 4.357 4.470 0.008 0.000 0.235 380 S C 1.561 176.138 174.600 -0.038 0.000 1.019 380 S CA 0.617 58.799 58.200 -0.029 0.000 0.982 380 S CB -0.101 63.071 63.200 -0.046 0.000 0.789 380 S HN 0.307 nan 8.310 nan 0.000 0.490 381 N N 0.546 119.192 118.700 -0.090 0.000 2.512 381 N HA 0.005 4.750 4.740 0.008 0.000 0.183 381 N C 0.426 175.968 175.510 0.053 0.000 1.073 381 N CA 0.195 53.202 53.050 -0.072 0.000 0.911 381 N CB -0.446 37.914 38.487 -0.212 0.000 0.964 381 N HN 0.308 nan 8.380 nan 0.000 0.447 382 c N 4.521 123.193 118.600 0.120 0.000 2.657 382 c HA 0.146 4.721 4.570 0.008 0.000 0.404 382 c C -1.965 172.127 174.090 0.003 0.000 1.369 382 c CA -1.406 54.994 56.329 0.119 0.000 1.665 382 c CB -0.315 42.257 42.510 0.103 0.000 2.453 382 c HN 0.230 nan 8.230 nan 0.000 0.599 383 P HA 0.183 nan 4.420 nan 0.000 0.274 383 P C 0.145 177.391 177.300 -0.090 0.000 1.470 383 P CA 0.306 63.392 63.100 -0.024 0.000 1.001 383 P CB -0.097 31.628 31.700 0.043 0.000 1.332 384 I N 0.423 120.948 120.570 -0.076 0.000 4.009 384 I HA 0.124 4.298 4.170 0.008 0.000 0.331 384 I C 1.264 177.344 176.117 -0.061 0.000 1.462 384 I CA -0.314 60.933 61.300 -0.089 0.000 1.117 384 I CB -0.237 37.709 38.000 -0.091 0.000 1.091 384 I HN 0.003 nan 8.210 nan 0.000 0.410 385 T N -0.850 113.679 114.554 -0.042 0.000 2.833 385 T HA -0.060 4.295 4.350 0.008 0.000 0.269 385 T C 1.418 176.094 174.700 -0.039 0.000 1.054 385 T CA 1.218 63.297 62.100 -0.035 0.000 1.135 385 T CB -0.350 68.505 68.868 -0.022 0.000 0.869 385 T HN 0.417 nan 8.240 nan 0.000 0.466 386 K N 0.040 120.419 120.400 -0.034 0.000 2.498 386 K HA 0.369 4.693 4.320 0.008 0.000 0.207 386 K C -0.813 175.760 176.600 -0.045 0.000 1.033 386 K CA -0.383 55.883 56.287 -0.035 0.000 1.138 386 K CB 0.352 32.843 32.500 -0.015 0.000 0.860 386 K HN 0.293 nan 8.250 nan 0.000 0.490 387 c N 1.973 120.535 118.600 -0.063 0.000 3.002 387 c HA 0.103 4.677 4.570 0.008 0.000 0.248 387 c C 1.483 175.505 174.090 -0.113 0.000 1.153 387 c CA -0.950 55.340 56.329 -0.065 0.000 1.502 387 c CB 0.110 42.587 42.510 -0.056 0.000 1.805 387 c HN 0.611 nan 8.230 nan 0.000 0.450 388 Q N 0.255 119.923 119.800 -0.220 0.000 2.234 388 Q HA -0.191 4.153 4.340 0.008 0.000 0.206 388 Q C 0.540 176.340 176.000 -0.334 0.000 0.980 388 Q CA 1.958 57.558 55.803 -0.339 0.000 0.869 388 Q CB -0.228 28.200 28.738 -0.517 0.000 0.912 388 Q HN 0.769 nan 8.270 nan 0.000 0.436 389 Y N 0.931 121.217 120.300 -0.024 0.000 2.466 389 Y HA 0.308 4.862 4.550 0.007 0.000 0.272 389 Y C 0.391 176.268 175.900 -0.038 0.000 1.169 389 Y CA -0.388 57.698 58.100 -0.024 0.000 1.285 389 Y CB 0.662 39.113 38.460 -0.016 0.000 1.078 389 Y HN -0.052 nan 8.280 nan 0.000 0.523 390 S N 1.450 117.175 115.700 0.043 0.000 2.439 390 S HA 0.227 4.702 4.470 0.008 0.000 0.282 390 S C 0.073 174.651 174.600 -0.037 0.000 1.170 390 S CA -0.846 57.339 58.200 -0.024 0.000 1.054 390 S CB 0.375 63.517 63.200 -0.097 0.000 0.956 390 S HN 0.169 nan 8.310 nan 0.000 0.490 391 K N 3.662 124.045 120.400 -0.028 0.000 2.295 391 K HA 0.153 4.478 4.320 0.008 0.000 0.270 391 K C -1.726 174.850 176.600 -0.040 0.000 1.011 391 K CA -1.726 54.547 56.287 -0.022 0.000 0.953 391 K CB 0.186 32.681 32.500 -0.008 0.000 0.956 391 K HN 0.222 nan 8.250 nan 0.000 0.477 392 P HA -0.238 nan 4.420 nan 0.000 0.218 392 P C 0.632 177.945 177.300 0.021 0.000 1.148 392 P CA 1.225 64.323 63.100 -0.003 0.000 0.822 392 P CB 0.141 31.849 31.700 0.012 0.000 0.784 393 E N -1.143 119.066 120.200 0.016 0.000 2.482 393 E HA -0.093 4.261 4.350 0.008 0.000 0.196 393 E C 1.039 177.635 176.600 -0.008 0.000 1.047 393 E CA 0.554 56.969 56.400 0.026 0.000 0.869 393 E CB -0.919 28.797 29.700 0.026 0.000 0.836 393 E HN 0.208 nan 8.360 nan 0.000 0.520 394 N N 1.191 119.864 118.700 -0.046 0.000 2.223 394 N HA -0.095 4.649 4.740 0.008 0.000 0.185 394 N C 1.668 177.133 175.510 -0.075 0.000 1.016 394 N CA 1.232 54.236 53.050 -0.077 0.000 0.863 394 N CB -0.617 37.780 38.487 -0.150 0.000 0.983 394 N HN 0.268 nan 8.380 nan 0.000 0.429 395 c N 0.390 118.934 118.600 -0.094 0.000 2.432 395 c HA -0.027 4.547 4.570 0.008 0.000 0.277 395 c C 2.721 176.764 174.090 -0.078 0.000 1.249 395 c CA 0.331 56.675 56.329 0.026 0.000 1.725 395 c CB -0.879 41.694 42.510 0.104 0.000 2.028 395 c HN 0.489 nan 8.230 nan 0.000 0.477 396 R N 0.636 120.992 120.500 -0.239 0.000 2.081 396 R HA -0.071 4.274 4.340 0.008 0.000 0.235 396 R C 2.007 178.280 176.300 -0.045 0.000 1.131 396 R CA 1.436 57.404 56.100 -0.220 0.000 0.960 396 R CB -0.287 29.933 30.300 -0.132 0.000 0.856 396 R HN 0.503 nan 8.270 nan 0.000 0.436 397 L N 0.503 121.717 121.223 -0.016 0.000 2.217 397 L HA -0.051 4.294 4.340 0.008 0.000 0.211 397 L C 2.112 178.990 176.870 0.013 0.000 1.107 397 L CA 1.230 56.072 54.840 0.003 0.000 0.783 397 L CB -0.187 41.880 42.059 0.013 0.000 0.919 397 L HN 0.305 nan 8.230 nan 0.000 0.442 398 S N -1.608 114.127 115.700 0.057 0.000 2.631 398 S HA 0.057 4.532 4.470 0.008 0.000 0.217 398 S C 1.611 176.259 174.600 0.080 0.000 0.958 398 S CA -0.069 58.204 58.200 0.121 0.000 0.920 398 S CB 0.036 63.400 63.200 0.272 0.000 0.776 398 S HN 0.208 nan 8.310 nan 0.000 0.517 399 M N 1.829 121.415 119.600 -0.023 0.000 2.618 399 M HA 0.288 4.773 4.480 0.008 0.000 0.240 399 M C 1.036 177.229 176.300 -0.178 0.000 1.123 399 M CA 0.087 55.310 55.300 -0.128 0.000 1.060 399 M CB -0.825 31.580 32.600 -0.325 0.000 1.535 399 M HN 0.530 nan 8.290 nan 0.000 0.507 400 G N -0.231 108.482 108.800 -0.144 0.000 2.600 400 G HA2 0.538 4.503 3.960 0.008 0.000 0.303 400 G HA3 0.538 4.503 3.960 0.008 0.000 0.303 400 G C 0.717 175.467 174.900 -0.250 0.000 1.253 400 G CA -0.696 44.293 45.100 -0.185 0.000 0.974 400 G HN 0.339 nan 8.290 nan 0.000 0.483 401 I N -2.463 117.836 120.570 -0.452 0.000 2.756 401 I HA 0.260 4.435 4.170 0.008 0.000 0.262 401 I C 0.675 176.621 176.117 -0.284 0.000 1.225 401 I CA 0.440 61.278 61.300 -0.771 0.000 1.472 401 I CB -0.092 37.045 38.000 -1.438 0.000 1.094 401 I HN 0.130 nan 8.210 nan 0.000 0.454 402 R N 0.705 121.110 120.500 -0.158 0.000 2.795 402 R HA 0.400 4.745 4.340 0.008 0.000 0.275 402 R C -1.947 174.335 176.300 -0.031 0.000 0.981 402 R CA -1.752 54.321 56.100 -0.046 0.000 0.917 402 R CB 1.147 31.430 30.300 -0.027 0.000 1.202 402 R HN -0.195 nan 8.270 nan 0.000 0.469 403 P HA -0.146 nan 4.420 nan 0.000 0.220 403 P C 0.020 177.318 177.300 -0.003 0.000 1.148 403 P CA 1.387 64.488 63.100 0.002 0.000 0.803 403 P CB 0.140 31.850 31.700 0.016 0.000 0.782 404 N N -0.597 118.101 118.700 -0.003 0.000 2.321 404 N HA 0.012 4.757 4.740 0.008 0.000 0.242 404 N C -0.143 175.365 175.510 -0.003 0.000 1.141 404 N CA -0.324 52.726 53.050 -0.000 0.000 0.864 404 N CB -0.638 37.853 38.487 0.007 0.000 1.100 404 N HN -0.005 nan 8.380 nan 0.000 0.510 405 S N -0.850 114.840 115.700 -0.016 0.000 2.579 405 S HA -0.016 4.459 4.470 0.008 0.000 0.275 405 S C 1.038 175.635 174.600 -0.005 0.000 1.345 405 S CA -0.531 57.665 58.200 -0.008 0.000 1.031 405 S CB 1.011 64.190 63.200 -0.034 0.000 0.892 405 S HN 0.409 nan 8.310 nan 0.000 0.529 406 H N 1.422 120.419 119.070 -0.123 0.000 2.423 406 H HA 0.006 4.567 4.556 0.008 0.000 0.297 406 H C -0.491 174.643 175.328 -0.323 0.000 1.075 406 H CA 1.156 57.044 56.048 -0.266 0.000 1.342 406 H CB 0.061 29.576 29.762 -0.411 0.000 1.395 406 H HN 0.712 nan 8.280 nan 0.000 0.530 407 Y N 0.052 120.349 120.300 -0.005 0.000 2.487 407 Y HA 0.264 4.818 4.550 0.008 0.000 0.337 407 Y C 0.252 176.078 175.900 -0.123 0.000 1.076 407 Y CA -1.322 56.747 58.100 -0.052 0.000 1.115 407 Y CB 1.136 39.669 38.460 0.121 0.000 1.235 407 Y HN 0.003 nan 8.280 nan 0.000 0.468 408 I N 0.025 120.593 120.570 -0.004 0.000 2.676 408 I HA 0.618 4.792 4.170 0.008 0.000 0.309 408 I C -1.272 174.736 176.117 -0.181 0.000 0.990 408 I CA -0.839 60.341 61.300 -0.200 0.000 1.168 408 I CB 1.047 38.723 38.000 -0.540 0.000 1.343 408 I HN 0.367 nan 8.210 nan 0.000 0.482 409 L N 3.863 124.945 121.223 -0.235 0.000 2.307 409 L HA 0.673 5.018 4.340 0.008 0.000 0.284 409 L C -0.303 176.495 176.870 -0.120 0.000 1.023 409 L CA -0.706 53.976 54.840 -0.264 0.000 0.810 409 L CB 1.470 43.358 42.059 -0.283 0.000 1.231 409 L HN 0.645 nan 8.230 nan 0.000 0.423 410 R N 1.841 122.314 120.500 -0.046 0.000 2.451 410 R HA 0.426 4.771 4.340 0.008 0.000 0.307 410 R C -0.700 175.699 176.300 0.165 0.000 0.965 410 R CA -0.191 55.978 56.100 0.116 0.000 0.865 410 R CB 1.672 32.151 30.300 0.298 0.000 1.174 410 R HN 0.619 nan 8.270 nan 0.000 0.455 411 S N 1.375 117.193 115.700 0.197 0.000 2.608 411 S HA 0.781 5.256 4.470 0.008 0.000 0.261 411 S C 0.172 174.924 174.600 0.254 0.000 1.314 411 S CA 0.594 58.957 58.200 0.272 0.000 0.992 411 S CB 1.197 64.577 63.200 0.300 0.000 0.935 411 S HN 0.856 nan 8.310 nan 0.000 0.564 412 G N -0.284 108.674 108.800 0.264 0.000 2.399 412 G HA2 0.400 4.365 3.960 0.008 0.000 0.256 412 G HA3 0.400 4.365 3.960 0.008 0.000 0.256 412 G C -2.193 172.795 174.900 0.147 0.000 1.236 412 G CA -0.854 44.245 45.100 -0.002 0.000 0.914 412 G HN 0.607 nan 8.290 nan 0.000 0.482 413 L N -0.143 121.061 121.223 -0.031 0.000 2.354 413 L HA 0.694 5.038 4.340 0.008 0.000 0.264 413 L C -0.696 176.309 176.870 0.225 0.000 1.008 413 L CA -0.831 54.132 54.840 0.205 0.000 0.819 413 L CB 2.401 44.609 42.059 0.247 0.000 1.339 413 L HN 0.374 nan 8.230 nan 0.000 0.420 414 L N 2.580 124.030 121.223 0.378 0.000 2.280 414 L HA 0.439 4.784 4.340 0.008 0.000 0.287 414 L C -0.182 176.891 176.870 0.337 0.000 1.023 414 L CA -0.339 54.718 54.840 0.362 0.000 0.819 414 L CB 1.501 43.767 42.059 0.344 0.000 1.212 414 L HN 0.497 nan 8.230 nan 0.000 0.420 415 K N 3.382 123.905 120.400 0.206 0.000 2.201 415 K HA 0.269 4.593 4.320 0.008 0.000 0.278 415 K C -1.681 174.968 176.600 0.082 0.000 1.027 415 K CA -0.402 55.873 56.287 -0.021 0.000 0.909 415 K CB 0.968 33.457 32.500 -0.020 0.000 1.062 415 K HN 0.427 nan 8.250 nan 0.000 0.465 416 Y N 4.285 124.484 120.300 -0.168 0.000 2.333 416 Y HA 0.247 4.801 4.550 0.008 0.000 0.324 416 Y C -1.258 174.535 175.900 -0.178 0.000 1.033 416 Y CA -1.125 56.925 58.100 -0.084 0.000 1.224 416 Y CB 0.980 39.479 38.460 0.065 0.000 1.120 416 Y HN 0.629 nan 8.280 nan 0.000 0.457 417 N N 6.254 124.671 118.700 -0.471 0.000 2.439 417 N HA 0.195 4.940 4.740 0.008 0.000 0.249 417 N C 0.397 175.620 175.510 -0.479 0.000 1.003 417 N CA -0.042 52.781 53.050 -0.377 0.000 0.942 417 N CB 0.957 39.303 38.487 -0.235 0.000 1.115 417 N HN 0.953 nan 8.380 nan 0.000 0.505 418 L N 1.693 122.682 121.223 -0.389 0.000 2.275 418 L HA -0.065 4.280 4.340 0.008 0.000 0.215 418 L C 1.480 178.231 176.870 -0.199 0.000 1.119 418 L CA 0.780 55.431 54.840 -0.316 0.000 0.790 418 L CB -0.049 41.888 42.059 -0.203 0.000 0.919 418 L HN 0.445 nan 8.230 nan 0.000 0.443 419 S N -1.605 113.998 115.700 -0.162 0.000 2.593 419 S HA -0.040 4.435 4.470 0.008 0.000 0.217 419 S C 0.645 175.182 174.600 -0.105 0.000 0.966 419 S CA -0.009 58.128 58.200 -0.105 0.000 0.914 419 S CB -0.204 62.952 63.200 -0.074 0.000 0.776 419 S HN 0.270 nan 8.310 nan 0.000 0.523 420 D N 2.139 122.449 120.400 -0.150 0.000 2.845 420 D HA 0.438 5.083 4.640 0.008 0.000 0.235 420 D C 0.869 177.110 176.300 -0.099 0.000 1.158 420 D CA 0.568 54.494 54.000 -0.123 0.000 0.990 420 D CB -0.732 39.975 40.800 -0.155 0.000 1.094 420 D HN 0.340 nan 8.370 nan 0.000 0.486 421 G N 1.426 110.184 108.800 -0.069 0.000 2.725 421 G HA2 -0.288 3.676 3.960 0.008 0.000 0.220 421 G HA3 -0.288 3.676 3.960 0.008 0.000 0.220 421 G C 0.665 175.539 174.900 -0.042 0.000 1.357 421 G CA -0.005 45.068 45.100 -0.046 0.000 0.866 421 G HN 0.362 nan 8.290 nan 0.000 0.548 422 E N -0.267 119.920 120.200 -0.021 0.000 2.107 422 E HA -0.060 4.295 4.350 0.008 0.000 0.191 422 E C 0.577 177.180 176.600 0.005 0.000 0.982 422 E CA 1.109 57.505 56.400 -0.007 0.000 0.809 422 E CB -0.069 29.633 29.700 0.002 0.000 0.756 422 E HN 0.388 nan 8.360 nan 0.000 0.459 423 N N 1.830 120.532 118.700 0.004 0.000 2.804 423 N HA 0.260 5.004 4.740 0.008 0.000 0.251 423 N C -2.722 172.794 175.510 0.011 0.000 1.250 423 N CA -1.302 51.764 53.050 0.028 0.000 0.820 423 N CB 1.580 40.089 38.487 0.035 0.000 1.156 423 N HN 0.038 nan 8.380 nan 0.000 0.512 424 P HA -0.075 nan 4.420 nan 0.000 0.267 424 P C 0.267 177.565 177.300 -0.004 0.000 1.201 424 P CA 0.289 63.298 63.100 -0.152 0.000 0.775 424 P CB 0.778 32.147 31.700 -0.551 0.000 0.854 425 K N 0.739 121.131 120.400 -0.013 0.000 2.090 425 K HA 0.490 4.815 4.320 0.008 0.000 0.250 425 K C -0.929 175.759 176.600 0.145 0.000 1.004 425 K CA -0.867 55.462 56.287 0.070 0.000 0.919 425 K CB 0.596 33.121 32.500 0.041 0.000 1.045 425 K HN 0.090 nan 8.250 nan 0.000 0.471 426 V N 1.603 121.622 119.914 0.176 0.000 2.435 426 V HA 0.309 4.433 4.120 0.008 0.000 0.290 426 V C -0.522 175.668 176.094 0.159 0.000 1.030 426 V CA -0.939 61.486 62.300 0.207 0.000 0.881 426 V CB 1.411 33.332 31.823 0.164 0.000 0.983 426 V HN 0.580 nan 8.190 nan 0.000 0.445 427 V N 4.977 124.992 119.914 0.169 0.000 2.487 427 V HA 0.424 4.549 4.120 0.008 0.000 0.298 427 V C -0.599 175.627 176.094 0.221 0.000 1.028 427 V CA -0.584 61.816 62.300 0.167 0.000 0.860 427 V CB 1.757 33.648 31.823 0.114 0.000 0.991 427 V HN 0.714 nan 8.190 nan 0.000 0.427 428 F N 6.095 126.096 119.950 0.084 0.000 2.410 428 F HA 0.651 5.182 4.527 0.007 0.000 0.348 428 F C -0.130 175.707 175.800 0.062 0.000 1.106 428 F CA -0.661 57.374 58.000 0.058 0.000 1.163 428 F CB 0.707 39.699 39.000 -0.013 0.000 1.129 428 F HN 0.344 nan 8.300 nan 0.000 0.516 429 I N 6.418 126.536 120.570 -0.753 0.000 2.411 429 I HA 0.200 4.375 4.170 0.008 0.000 0.284 429 I C -0.578 174.965 176.117 -0.957 0.000 1.012 429 I CA -0.707 60.248 61.300 -0.575 0.000 1.119 429 I CB 1.469 39.339 38.000 -0.217 0.000 1.261 429 I HN 0.591 nan 8.210 nan 0.000 0.448 430 E N 7.005 126.779 120.200 -0.711 0.000 2.366 430 E HA 0.350 4.705 4.350 0.008 0.000 0.266 430 E C -0.379 176.107 176.600 -0.191 0.000 1.051 430 E CA -0.626 55.529 56.400 -0.408 0.000 0.884 430 E CB 2.223 31.965 29.700 0.070 0.000 1.006 430 E HN 0.549 nan 8.360 nan 0.000 0.417 431 I N 2.289 122.797 120.570 -0.104 0.000 2.779 431 I HA -0.029 4.146 4.170 0.008 0.000 0.285 431 I C 0.548 176.669 176.117 0.007 0.000 1.134 431 I CA -0.059 61.179 61.300 -0.103 0.000 1.398 431 I CB 0.903 38.859 38.000 -0.073 0.000 1.404 431 I HN 0.829 nan 8.210 nan 0.000 0.587 432 S N 3.798 119.493 115.700 -0.008 0.000 2.589 432 S HA 0.015 4.490 4.470 0.008 0.000 0.265 432 S C 0.667 175.353 174.600 0.143 0.000 1.342 432 S CA -0.050 58.182 58.200 0.055 0.000 1.005 432 S CB 0.947 64.157 63.200 0.017 0.000 0.909 432 S HN 0.746 nan 8.310 nan 0.000 0.555 433 D N -0.112 120.375 120.400 0.146 0.000 2.336 433 D HA -0.028 4.617 4.640 0.008 0.000 0.229 433 D C -0.136 176.271 176.300 0.177 0.000 1.061 433 D CA 0.041 54.152 54.000 0.184 0.000 0.875 433 D CB -0.220 40.678 40.800 0.163 0.000 0.904 433 D HN 0.427 nan 8.370 nan 0.000 0.525 434 Q N 1.194 121.109 119.800 0.190 0.000 2.296 434 Q HA 0.198 4.542 4.340 0.008 0.000 0.262 434 Q C 0.384 176.528 176.000 0.239 0.000 0.981 434 Q CA -0.057 55.871 55.803 0.209 0.000 0.905 434 Q CB 0.926 29.793 28.738 0.214 0.000 1.186 434 Q HN 0.257 nan 8.270 nan 0.000 0.399 435 R N 0.646 121.200 120.500 0.090 0.000 3.251 435 R HA -0.232 4.113 4.340 0.008 0.000 0.249 435 R C -0.175 176.026 176.300 -0.165 0.000 0.949 435 R CA -0.039 55.991 56.100 -0.117 0.000 0.645 435 R CB -1.658 28.388 30.300 -0.423 0.000 1.065 435 R HN 0.404 nan 8.270 nan 0.000 0.452 436 L N 0.372 121.624 121.223 0.048 0.000 2.455 436 L HA 0.200 4.545 4.340 0.008 0.000 0.272 436 L C 0.308 177.168 176.870 -0.016 0.000 1.174 436 L CA 1.008 55.902 54.840 0.091 0.000 0.869 436 L CB 1.509 43.722 42.059 0.256 0.000 1.130 436 L HN 0.245 nan 8.230 nan 0.000 0.474 437 S N 4.512 120.162 115.700 -0.083 0.000 2.599 437 S HA 0.493 4.967 4.470 0.008 0.000 0.287 437 S C -0.366 174.206 174.600 -0.046 0.000 1.105 437 S CA -0.923 57.176 58.200 -0.169 0.000 0.899 437 S CB 0.924 63.922 63.200 -0.336 0.000 1.100 437 S HN 0.693 nan 8.310 nan 0.000 0.482 438 I N 3.234 123.792 120.570 -0.019 0.000 2.919 438 I HA 0.157 4.332 4.170 0.008 0.000 0.303 438 I C 1.119 177.273 176.117 0.062 0.000 1.221 438 I CA 0.474 61.796 61.300 0.037 0.000 1.444 438 I CB 0.050 38.121 38.000 0.118 0.000 1.331 438 I HN 0.800 nan 8.210 nan 0.000 0.572 439 G N 5.908 114.742 108.800 0.057 0.000 2.178 439 G HA2 0.275 4.239 3.960 0.008 0.000 0.244 439 G HA3 0.275 4.239 3.960 0.008 0.000 0.244 439 G C -0.326 174.708 174.900 0.225 0.000 1.213 439 G CA 0.358 45.525 45.100 0.111 0.000 0.912 439 G HN 0.907 nan 8.290 nan 0.000 0.474 440 S N 2.282 118.063 115.700 0.136 0.000 2.596 440 S HA 0.704 5.179 4.470 0.008 0.000 0.270 440 S C -3.315 170.892 174.600 -0.655 0.000 1.155 440 S CA -1.576 56.468 58.200 -0.260 0.000 0.827 440 S CB 2.273 65.152 63.200 -0.536 0.000 1.130 440 S HN 0.327 nan 8.310 nan 0.000 0.467 441 P HA 0.342 nan 4.420 nan 0.000 0.263 441 P C -0.676 176.536 177.300 -0.146 0.000 1.195 441 P CA 0.429 63.087 63.100 -0.738 0.000 0.762 441 P CB 0.468 31.843 31.700 -0.541 0.000 0.799 442 S N 2.283 117.980 115.700 -0.005 0.000 2.732 442 S HA 0.721 5.195 4.470 0.008 0.000 0.293 442 S C -0.808 173.850 174.600 0.098 0.000 1.159 442 S CA -0.755 57.457 58.200 0.020 0.000 0.847 442 S CB 2.055 65.203 63.200 -0.088 0.000 1.169 442 S HN 0.361 nan 8.310 nan 0.000 0.501 443 K N 0.962 121.301 120.400 -0.101 0.000 2.550 443 K HA 0.593 4.918 4.320 0.008 0.000 0.252 443 K C -2.065 174.455 176.600 -0.134 0.000 0.943 443 K CA -0.452 55.886 56.287 0.085 0.000 0.806 443 K CB 1.655 34.389 32.500 0.389 0.000 1.289 443 K HN 0.665 nan 8.250 nan 0.000 0.435 444 I N 5.163 125.766 120.570 0.056 0.000 2.433 444 I HA 0.543 4.717 4.170 0.008 0.000 0.292 444 I C -1.664 174.585 176.117 0.220 0.000 1.001 444 I CA -0.723 60.630 61.300 0.089 0.000 1.119 444 I CB 0.952 39.074 38.000 0.204 0.000 1.289 444 I HN 0.741 nan 8.210 nan 0.000 0.438 445 Y N 4.256 124.611 120.300 0.092 0.000 2.571 445 Y HA 0.579 5.133 4.550 0.007 0.000 0.341 445 Y C -1.509 174.414 175.900 0.037 0.000 1.076 445 Y CA -1.397 56.761 58.100 0.097 0.000 1.029 445 Y CB 0.728 39.255 38.460 0.111 0.000 1.308 445 Y HN 0.341 nan 8.280 nan 0.000 0.461 446 D N 1.794 122.353 120.400 0.264 0.000 2.256 446 D HA 0.381 5.025 4.640 0.008 0.000 0.250 446 D C -0.882 175.563 176.300 0.242 0.000 1.093 446 D CA 0.138 54.238 54.000 0.166 0.000 0.882 446 D CB 1.895 42.801 40.800 0.176 0.000 1.185 446 D HN 0.535 nan 8.370 nan 0.000 0.437 447 S N 2.004 117.763 115.700 0.098 0.000 2.619 447 S HA 0.321 4.795 4.470 0.008 0.000 0.280 447 S C 0.076 174.706 174.600 0.051 0.000 1.150 447 S CA -0.664 57.605 58.200 0.114 0.000 0.978 447 S CB 0.236 63.432 63.200 -0.007 0.000 1.041 447 S HN 0.512 nan 8.310 nan 0.000 0.485 448 L N 3.863 125.138 121.223 0.087 0.000 3.678 448 L HA -0.259 4.086 4.340 0.008 0.000 0.425 448 L C 1.246 178.138 176.870 0.036 0.000 1.240 448 L CA 0.678 55.548 54.840 0.049 0.000 0.876 448 L CB -1.805 40.258 42.059 0.007 0.000 1.766 448 L HN 1.260 nan 8.230 nan 0.000 0.917 449 G N -1.447 107.385 108.800 0.053 0.000 2.176 449 G HA2 -0.258 3.707 3.960 0.008 0.000 0.253 449 G HA3 -0.258 3.707 3.960 0.008 0.000 0.253 449 G C 0.085 175.000 174.900 0.024 0.000 0.979 449 G CA 0.576 45.702 45.100 0.043 0.000 0.641 449 G HN 0.551 nan 8.290 nan 0.000 0.530 450 Q N 0.073 119.878 119.800 0.008 0.000 2.389 450 Q HA 0.535 4.879 4.340 0.008 0.000 0.277 450 Q C -2.873 173.097 176.000 -0.049 0.000 1.082 450 Q CA -2.135 53.658 55.803 -0.016 0.000 0.810 450 Q CB 3.258 31.987 28.738 -0.015 0.000 1.374 450 Q HN 0.198 nan 8.270 nan 0.000 0.422 451 P HA 0.220 nan 4.420 nan 0.000 0.278 451 P C -0.944 176.235 177.300 -0.201 0.000 1.238 451 P CA -0.284 62.739 63.100 -0.127 0.000 0.794 451 P CB 0.999 32.643 31.700 -0.094 0.000 0.955 452 V N 2.702 122.372 119.914 -0.406 0.000 2.823 452 V HA 0.475 4.600 4.120 0.008 0.000 0.312 452 V C -0.666 175.205 176.094 -0.372 0.000 1.072 452 V CA -0.564 61.466 62.300 -0.450 0.000 0.937 452 V CB 1.970 33.336 31.823 -0.763 0.000 1.013 452 V HN 0.456 nan 8.190 nan 0.000 0.430 453 F N 3.970 123.793 119.950 -0.211 0.000 2.507 453 F HA 0.689 5.220 4.527 0.008 0.000 0.325 453 F C -1.092 174.862 175.800 0.256 0.000 1.116 453 F CA -0.690 57.294 58.000 -0.027 0.000 0.930 453 F CB 1.506 40.423 39.000 -0.138 0.000 1.146 453 F HN 0.572 nan 8.300 nan 0.000 0.447 454 Y N 5.935 126.174 120.300 -0.102 0.000 2.364 454 Y HA 0.462 5.016 4.550 0.008 0.000 0.340 454 Y C -1.236 174.625 175.900 -0.066 0.000 0.975 454 Y CA -0.619 57.569 58.100 0.147 0.000 1.089 454 Y CB 1.325 39.882 38.460 0.163 0.000 1.192 454 Y HN 0.670 nan 8.280 nan 0.000 0.454 455 Q N 5.200 124.649 119.800 -0.585 0.000 2.330 455 Q HA 0.739 5.084 4.340 0.008 0.000 0.269 455 Q C -1.206 174.207 176.000 -0.978 0.000 1.022 455 Q CA -1.022 54.476 55.803 -0.508 0.000 0.796 455 Q CB 1.699 30.501 28.738 0.107 0.000 1.271 455 Q HN 0.977 nan 8.270 nan 0.000 0.450 456 A N 2.664 125.019 122.820 -0.775 0.000 2.462 456 A HA 0.275 4.599 4.320 0.008 0.000 0.243 456 A C -0.226 177.149 177.584 -0.348 0.000 1.076 456 A CA -0.087 51.635 52.037 -0.525 0.000 0.773 456 A CB 0.483 19.222 19.000 -0.435 0.000 1.010 456 A HN 0.715 nan 8.150 nan 0.000 0.493 457 S N 1.895 117.518 115.700 -0.129 0.000 2.642 457 S HA 0.338 4.812 4.470 0.008 0.000 0.309 457 S C -0.480 174.247 174.600 0.212 0.000 1.125 457 S CA -0.152 58.012 58.200 -0.060 0.000 1.055 457 S CB -0.441 62.687 63.200 -0.120 0.000 1.157 457 S HN 0.509 nan 8.310 nan 0.000 0.513 458 F N 1.581 121.471 119.950 -0.101 0.000 2.660 458 F HA 0.407 4.938 4.527 0.007 0.000 0.297 458 F C 1.340 177.142 175.800 0.003 0.000 1.132 458 F CA -0.469 57.485 58.000 -0.076 0.000 1.372 458 F CB -0.427 38.571 39.000 -0.004 0.000 1.003 458 F HN 0.429 nan 8.300 nan 0.000 0.524 459 S N -1.330 114.432 115.700 0.103 0.000 3.629 459 S HA 0.205 4.679 4.470 0.008 0.000 0.319 459 S C 0.545 175.148 174.600 0.004 0.000 1.149 459 S CA -0.310 57.934 58.200 0.073 0.000 1.099 459 S CB -0.035 63.172 63.200 0.012 0.000 1.433 459 S HN 0.307 nan 8.310 nan 0.000 0.736 460 W N 1.192 122.524 121.300 0.053 0.000 2.770 460 W HA 0.271 4.935 4.660 0.007 0.000 0.256 460 W C 0.070 176.598 176.519 0.014 0.000 1.291 460 W CA 0.712 58.076 57.345 0.032 0.000 1.396 460 W CB -0.696 28.786 29.460 0.037 0.000 1.114 460 W HN 0.480 nan 8.180 nan 0.000 0.637 461 D N 2.735 122.671 120.400 -0.774 0.000 2.517 461 D HA 0.036 4.680 4.640 0.008 0.000 0.220 461 D C 1.361 177.462 176.300 -0.331 0.000 1.158 461 D CA 0.503 54.081 54.000 -0.702 0.000 0.992 461 D CB 0.552 40.622 40.800 -1.217 0.000 1.058 461 D HN 0.064 nan 8.370 nan 0.000 0.516 462 T N -0.304 114.168 114.554 -0.137 0.000 3.060 462 T HA 0.123 4.478 4.350 0.008 0.000 0.249 462 T C 1.054 175.685 174.700 -0.116 0.000 1.079 462 T CA -0.379 61.653 62.100 -0.113 0.000 1.013 462 T CB -0.062 68.764 68.868 -0.070 0.000 0.975 462 T HN 0.087 nan 8.240 nan 0.000 0.518 463 M N 1.788 121.339 119.600 -0.082 0.000 2.238 463 M HA 0.382 4.867 4.480 0.008 0.000 0.347 463 M C 0.452 176.699 176.300 -0.088 0.000 1.173 463 M CA -1.825 53.439 55.300 -0.062 0.000 1.147 463 M CB 0.371 32.973 32.600 0.002 0.000 1.547 463 M HN 0.261 nan 8.290 nan 0.000 0.455 464 I N 3.548 124.069 120.570 -0.082 0.000 2.826 464 I HA -0.127 4.048 4.170 0.008 0.000 0.295 464 I C 0.110 176.293 176.117 0.111 0.000 1.213 464 I CA 0.641 61.919 61.300 -0.037 0.000 1.436 464 I CB 0.157 38.072 38.000 -0.142 0.000 1.348 464 I HN 0.536 nan 8.210 nan 0.000 0.570 465 K N 9.629 130.060 120.400 0.051 0.000 2.300 465 K HA 0.393 4.718 4.320 0.008 0.000 0.264 465 K C -0.951 176.019 176.600 0.617 0.000 1.083 465 K CA -0.228 56.115 56.287 0.093 0.000 0.958 465 K CB 0.583 32.872 32.500 -0.351 0.000 1.318 465 K HN 0.551 nan 8.250 nan 0.000 0.448 466 F N -1.475 118.815 119.950 0.567 0.000 2.741 466 F HA 0.775 5.306 4.527 0.007 0.000 0.313 466 F C -0.604 175.434 175.800 0.397 0.000 1.153 466 F CA -0.993 57.354 58.000 0.579 0.000 0.931 466 F CB 1.646 40.998 39.000 0.587 0.000 1.335 466 F HN 0.476 nan 8.300 nan 0.000 0.460 467 G N 0.703 109.507 108.800 0.005 0.000 2.325 467 G HA2 0.294 4.259 3.960 0.008 0.000 0.297 467 G HA3 0.294 4.259 3.960 0.008 0.000 0.297 467 G C -2.472 172.358 174.900 -0.116 0.000 1.448 467 G CA -1.047 43.873 45.100 -0.299 0.000 0.838 467 G HN 0.721 nan 8.290 nan 0.000 0.579 468 D N -0.187 120.167 120.400 -0.076 0.000 2.443 468 D HA 0.296 4.941 4.640 0.008 0.000 0.239 468 D C 0.691 176.889 176.300 -0.169 0.000 1.136 468 D CA 0.225 54.203 54.000 -0.038 0.000 0.879 468 D CB 1.800 42.618 40.800 0.030 0.000 1.195 468 D HN 0.190 nan 8.370 nan 0.000 0.443 469 V N 4.343 124.164 119.914 -0.156 0.000 2.455 469 V HA -0.039 4.086 4.120 0.008 0.000 0.273 469 V C 1.570 177.558 176.094 -0.176 0.000 1.045 469 V CA -0.391 61.787 62.300 -0.203 0.000 0.976 469 V CB 1.370 33.089 31.823 -0.174 0.000 0.993 469 V HN 0.453 nan 8.190 nan 0.000 0.475 470 L N 4.201 125.304 121.223 -0.200 0.000 2.068 470 L HA 0.079 4.423 4.340 0.008 0.000 0.204 470 L C 1.173 177.959 176.870 -0.139 0.000 1.076 470 L CA 1.790 56.538 54.840 -0.154 0.000 0.753 470 L CB -0.283 41.684 42.059 -0.155 0.000 0.910 470 L HN 0.902 nan 8.230 nan 0.000 0.439 471 T N -5.206 109.250 114.554 -0.163 0.000 2.912 471 T HA 0.463 4.818 4.350 0.008 0.000 0.299 471 T C 0.701 175.281 174.700 -0.200 0.000 1.052 471 T CA -0.651 61.357 62.100 -0.153 0.000 0.996 471 T CB 2.415 71.209 68.868 -0.123 0.000 1.070 471 T HN -0.210 nan 8.240 nan 0.000 0.465 472 V N 0.850 120.631 119.914 -0.223 0.000 2.649 472 V HA 0.201 4.325 4.120 0.008 0.000 0.248 472 V C 0.806 176.749 176.094 -0.252 0.000 1.054 472 V CA 0.942 63.053 62.300 -0.315 0.000 1.073 472 V CB -0.610 30.897 31.823 -0.526 0.000 0.699 472 V HN 0.959 nan 8.190 nan 0.000 0.463 473 N N 0.848 119.450 118.700 -0.164 0.000 2.594 473 N HA 0.334 5.079 4.740 0.008 0.000 0.280 473 N C -2.796 172.675 175.510 -0.065 0.000 1.156 473 N CA -1.207 51.790 53.050 -0.088 0.000 0.831 473 N CB 1.608 40.089 38.487 -0.010 0.000 1.379 473 N HN 0.101 nan 8.380 nan 0.000 0.536 474 P HA 0.162 nan 4.420 nan 0.000 0.272 474 P C -0.497 176.721 177.300 -0.137 0.000 1.230 474 P CA -0.625 62.423 63.100 -0.087 0.000 0.788 474 P CB 0.831 32.495 31.700 -0.060 0.000 0.949 475 L N 2.920 124.039 121.223 -0.173 0.000 2.342 475 L HA 0.222 4.566 4.340 0.008 0.000 0.285 475 L C -0.764 175.950 176.870 -0.261 0.000 1.095 475 L CA -0.151 54.538 54.840 -0.251 0.000 0.843 475 L CB -0.067 41.805 42.059 -0.312 0.000 1.201 475 L HN 0.067 nan 8.230 nan 0.000 0.445 476 V N 6.010 125.762 119.914 -0.271 0.000 2.487 476 V HA 0.505 4.630 4.120 0.008 0.000 0.298 476 V C -0.335 175.517 176.094 -0.403 0.000 1.028 476 V CA -0.735 61.397 62.300 -0.280 0.000 0.860 476 V CB 1.906 33.616 31.823 -0.188 0.000 0.991 476 V HN 0.432 nan 8.190 nan 0.000 0.427 477 V N 3.565 123.117 119.914 -0.603 0.000 2.417 477 V HA 0.397 4.522 4.120 0.008 0.000 0.291 477 V C 0.264 175.888 176.094 -0.782 0.000 1.024 477 V CA -0.742 61.052 62.300 -0.842 0.000 0.861 477 V CB 1.844 32.762 31.823 -1.508 0.000 0.985 477 V HN 0.844 nan 8.190 nan 0.000 0.436 478 N N 4.618 123.019 118.700 -0.499 0.000 2.895 478 N HA 0.113 4.857 4.740 0.008 0.000 0.277 478 N C -0.397 174.932 175.510 -0.301 0.000 1.185 478 N CA -0.428 52.423 53.050 -0.332 0.000 1.106 478 N CB -0.048 38.288 38.487 -0.251 0.000 1.422 478 N HN 0.619 nan 8.380 nan 0.000 0.521 479 W N 2.840 124.056 121.300 -0.141 0.000 2.257 479 W HA 0.090 4.754 4.660 0.007 0.000 0.337 479 W C 1.077 177.472 176.519 -0.208 0.000 1.321 479 W CA -0.687 56.580 57.345 -0.130 0.000 1.267 479 W CB 0.450 29.879 29.460 -0.053 0.000 1.187 479 W HN 0.020 nan 8.180 nan 0.000 0.565 480 R N 2.745 123.231 120.500 -0.024 0.000 2.643 480 R HA 0.027 4.372 4.340 0.008 0.000 0.270 480 R C -0.045 176.270 176.300 0.026 0.000 1.061 480 R CA -0.296 55.711 56.100 -0.155 0.000 1.107 480 R CB 0.011 30.172 30.300 -0.233 0.000 0.999 480 R HN 0.438 nan 8.270 nan 0.000 0.460 481 N N 2.543 121.238 118.700 -0.008 0.000 3.034 481 N HA -0.003 4.742 4.740 0.008 0.000 0.265 481 N C -0.406 175.140 175.510 0.061 0.000 1.166 481 N CA -0.059 53.010 53.050 0.032 0.000 1.081 481 N CB 0.325 38.820 38.487 0.013 0.000 1.378 481 N HN 0.353 nan 8.380 nan 0.000 0.520 482 N N 0.913 119.679 118.700 0.109 0.000 2.434 482 N HA 0.079 4.824 4.740 0.008 0.000 0.272 482 N C 0.652 176.214 175.510 0.087 0.000 1.040 482 N CA 0.005 53.142 53.050 0.146 0.000 0.956 482 N CB 1.040 39.687 38.487 0.266 0.000 1.108 482 N HN 0.279 nan 8.380 nan 0.000 0.481 483 T N -0.384 114.212 114.554 0.070 0.000 3.092 483 T HA 0.106 4.460 4.350 0.008 0.000 0.258 483 T C 1.284 175.997 174.700 0.022 0.000 1.031 483 T CA 0.207 62.331 62.100 0.039 0.000 0.925 483 T CB -0.333 68.546 68.868 0.019 0.000 1.036 483 T HN 0.276 nan 8.240 nan 0.000 0.544 484 V N -2.356 117.570 119.914 0.020 0.000 3.562 484 V HA 0.556 4.681 4.120 0.008 0.000 0.270 484 V C 0.088 176.151 176.094 -0.051 0.000 1.418 484 V CA -0.514 61.784 62.300 -0.003 0.000 1.033 484 V CB 0.040 31.859 31.823 -0.007 0.000 0.820 484 V HN 0.281 nan 8.190 nan 0.000 0.441 485 I N 1.499 121.936 120.570 -0.221 0.000 2.378 485 I HA 0.747 4.922 4.170 0.008 0.000 0.291 485 I C 0.059 175.942 176.117 -0.389 0.000 0.992 485 I CA 0.385 61.361 61.300 -0.540 0.000 1.154 485 I CB 1.161 38.472 38.000 -1.148 0.000 1.315 485 I HN 0.322 nan 8.210 nan 0.000 0.448 486 S N 6.380 121.815 115.700 -0.442 0.000 3.331 486 S HA 0.809 5.284 4.470 0.008 0.000 0.316 486 S C -1.040 173.329 174.600 -0.386 0.000 1.104 486 S CA -0.448 57.512 58.200 -0.400 0.000 0.977 486 S CB 1.819 64.717 63.200 -0.504 0.000 1.370 486 S HN 0.728 nan 8.310 nan 0.000 0.731 487 R N 0.781 121.085 120.500 -0.327 0.000 2.663 487 R HA 0.486 4.830 4.340 0.008 0.000 0.267 487 R C -3.543 172.634 176.300 -0.204 0.000 1.038 487 R CA -1.745 54.234 56.100 -0.200 0.000 0.886 487 R CB 0.441 30.689 30.300 -0.086 0.000 1.249 487 R HN 0.458 nan 8.270 nan 0.000 0.463 488 P HA 0.271 nan 4.420 nan 0.000 0.271 488 P C -0.302 176.928 177.300 -0.117 0.000 1.218 488 P CA 0.203 63.225 63.100 -0.130 0.000 0.780 488 P CB 1.154 32.800 31.700 -0.090 0.000 0.901 489 G N 1.376 110.112 108.800 -0.106 0.000 3.247 489 G HA2 0.398 4.362 3.960 0.008 0.000 0.199 489 G HA3 0.398 4.362 3.960 0.008 0.000 0.199 489 G C -0.704 174.146 174.900 -0.083 0.000 1.172 489 G CA -0.182 44.855 45.100 -0.103 0.000 0.844 489 G HN 0.426 nan 8.290 nan 0.000 0.619 490 Q N -0.885 118.875 119.800 -0.067 0.000 3.018 490 Q HA 0.411 4.756 4.340 0.008 0.000 0.209 490 Q C 1.693 177.680 176.000 -0.022 0.000 1.036 490 Q CA -0.445 55.330 55.803 -0.047 0.000 0.886 490 Q CB 0.428 29.137 28.738 -0.049 0.000 2.058 490 Q HN 0.443 nan 8.270 nan 0.000 0.452 491 S N -0.116 115.576 115.700 -0.013 0.000 2.359 491 S HA -0.196 4.278 4.470 0.008 0.000 0.224 491 S C 1.598 176.203 174.600 0.008 0.000 1.035 491 S CA 2.071 60.269 58.200 -0.004 0.000 1.018 491 S CB 0.080 63.277 63.200 -0.005 0.000 0.876 491 S HN 0.408 nan 8.310 nan 0.000 0.448 492 Q N -1.210 118.600 119.800 0.018 0.000 2.212 492 Q HA 0.142 4.487 4.340 0.008 0.000 0.199 492 Q C 0.444 176.480 176.000 0.061 0.000 0.950 492 Q CA 0.724 56.550 55.803 0.037 0.000 0.863 492 Q CB 0.219 28.985 28.738 0.047 0.000 0.944 492 Q HN 0.483 nan 8.270 nan 0.000 0.465 493 c N 2.192 120.824 118.600 0.053 0.000 3.401 493 c HA 0.398 4.972 4.570 0.008 0.000 0.204 493 c C -2.224 171.876 174.090 0.016 0.000 1.522 493 c CA -1.672 54.697 56.329 0.067 0.000 1.409 493 c CB -0.238 42.330 42.510 0.096 0.000 1.967 493 c HN 0.282 nan 8.230 nan 0.000 0.496 494 P HA 0.165 nan 4.420 nan 0.000 0.277 494 P C -0.183 177.079 177.300 -0.063 0.000 1.271 494 P CA -0.331 62.754 63.100 -0.026 0.000 0.795 494 P CB 0.717 32.417 31.700 -0.000 0.000 1.101 495 R N 0.073 120.480 120.500 -0.156 0.000 2.583 495 R HA -0.029 4.315 4.340 0.008 0.000 0.274 495 R C -0.054 176.080 176.300 -0.277 0.000 0.998 495 R CA 0.461 56.333 56.100 -0.381 0.000 1.081 495 R CB -0.839 29.092 30.300 -0.616 0.000 0.940 495 R HN 0.442 nan 8.270 nan 0.000 0.413 496 F N -0.759 119.175 119.950 -0.028 0.000 2.656 496 F HA -0.321 4.211 4.527 0.008 0.000 0.381 496 F C 0.338 176.147 175.800 0.015 0.000 0.603 496 F CA 1.007 58.996 58.000 -0.018 0.000 1.335 496 F CB -2.187 36.802 39.000 -0.018 0.000 1.836 496 F HN 0.661 nan 8.300 nan 0.000 0.290 497 N N 0.887 119.674 118.700 0.145 0.000 2.492 497 N HA 0.370 5.115 4.740 0.008 0.000 0.262 497 N C 1.036 176.653 175.510 0.178 0.000 1.202 497 N CA 1.158 54.298 53.050 0.150 0.000 0.926 497 N CB 0.732 39.297 38.487 0.130 0.000 1.078 497 N HN 0.299 nan 8.380 nan 0.000 0.454 498 T N -1.442 113.235 114.554 0.204 0.000 2.986 498 T HA 0.211 4.566 4.350 0.008 0.000 0.264 498 T C 0.254 175.140 174.700 0.310 0.000 0.964 498 T CA -0.234 62.023 62.100 0.261 0.000 0.895 498 T CB -0.538 68.434 68.868 0.173 0.000 1.163 498 T HN 0.368 nan 8.240 nan 0.000 0.517 499 c N 4.013 122.725 118.600 0.186 0.000 2.452 499 c HA 0.529 5.104 4.570 0.008 0.000 0.379 499 c C -2.317 171.692 174.090 -0.136 0.000 1.275 499 c CA -1.482 54.857 56.329 0.017 0.000 2.056 499 c CB 0.554 43.076 42.510 0.020 0.000 2.506 499 c HN 0.339 nan 8.230 nan 0.000 0.560 500 P HA 0.088 nan 4.420 nan 0.000 0.260 500 P C -0.205 176.834 177.300 -0.436 0.000 1.185 500 P CA 0.935 63.343 63.100 -1.153 0.000 0.763 500 P CB 0.381 31.425 31.700 -1.094 0.000 0.776 501 E N 2.574 122.632 120.200 -0.236 0.000 2.416 501 E HA 0.414 4.769 4.350 0.008 0.000 0.273 501 E C -0.223 176.426 176.600 0.083 0.000 0.935 501 E CA -0.911 55.485 56.400 -0.006 0.000 0.784 501 E CB 1.907 31.664 29.700 0.096 0.000 1.301 501 E HN 0.288 nan 8.360 nan 0.000 0.454 502 I N 1.912 122.529 120.570 0.079 0.000 2.291 502 I HA 0.226 4.401 4.170 0.008 0.000 0.292 502 I C -0.020 176.179 176.117 0.136 0.000 1.064 502 I CA -0.324 61.041 61.300 0.109 0.000 1.269 502 I CB 0.013 38.053 38.000 0.065 0.000 1.418 502 I HN 0.458 nan 8.210 nan 0.000 0.485 503 c N 3.500 122.216 118.600 0.193 0.000 3.241 503 c HA 0.536 5.110 4.570 0.008 0.000 0.348 503 c C -1.484 172.780 174.090 0.291 0.000 1.180 503 c CA -0.971 55.476 56.329 0.196 0.000 1.273 503 c CB 0.884 43.487 42.510 0.156 0.000 1.620 503 c HN 0.884 nan 8.230 nan 0.000 0.510 504 W N 3.823 125.144 121.300 0.035 0.000 2.517 504 W HA 0.653 5.318 4.660 0.009 0.000 0.301 504 W C -0.500 175.984 176.519 -0.058 0.000 1.002 504 W CA -0.114 57.243 57.345 0.020 0.000 1.415 504 W CB 0.703 30.184 29.460 0.036 0.000 1.275 504 W HN 1.030 nan 8.180 nan 0.000 0.413 505 E N 4.184 124.199 120.200 -0.308 0.000 2.409 505 E HA 0.735 5.089 4.350 0.008 0.000 0.280 505 E C -0.183 176.167 176.600 -0.417 0.000 1.079 505 E CA -0.770 55.370 56.400 -0.433 0.000 0.840 505 E CB 1.509 31.086 29.700 -0.204 0.000 1.309 505 E HN 0.641 nan 8.360 nan 0.000 0.447 506 G N -0.527 108.001 108.800 -0.452 0.000 2.334 506 G HA2 0.329 4.294 3.960 0.008 0.000 0.315 506 G HA3 0.329 4.294 3.960 0.008 0.000 0.315 506 G C -1.656 173.030 174.900 -0.357 0.000 1.284 506 G CA -0.298 44.626 45.100 -0.294 0.000 0.985 506 G HN 1.164 nan 8.290 nan 0.000 0.504 507 V N -0.714 119.191 119.914 -0.014 0.000 3.087 507 V HA 0.725 4.849 4.120 0.008 0.000 0.306 507 V C -1.248 175.087 176.094 0.402 0.000 1.187 507 V CA -0.938 61.446 62.300 0.140 0.000 0.999 507 V CB 1.973 33.819 31.823 0.039 0.000 1.049 507 V HN 1.633 nan 8.190 nan 0.000 0.431 508 Y N 5.172 125.670 120.300 0.330 0.000 2.486 508 Y HA 0.496 5.051 4.550 0.008 0.000 0.348 508 Y C 0.296 176.296 175.900 0.166 0.000 1.000 508 Y CA 0.464 58.725 58.100 0.268 0.000 1.253 508 Y CB 0.499 39.074 38.460 0.192 0.000 1.140 508 Y HN 0.753 nan 8.280 nan 0.000 0.526 509 N N 5.731 124.415 118.700 -0.026 0.000 2.664 509 N HA 0.103 4.848 4.740 0.008 0.000 0.257 509 N C -1.665 173.596 175.510 -0.416 0.000 1.108 509 N CA -0.920 52.081 53.050 -0.083 0.000 0.822 509 N CB 0.600 39.168 38.487 0.134 0.000 1.199 509 N HN 0.639 nan 8.380 nan 0.000 0.529 510 D N 1.101 120.994 120.400 -0.844 0.000 2.377 510 D HA 0.528 5.172 4.640 0.008 0.000 0.245 510 D C -0.368 175.581 176.300 -0.585 0.000 1.196 510 D CA -0.612 52.552 54.000 -1.393 0.000 0.962 510 D CB 0.922 41.011 40.800 -1.184 0.000 1.127 510 D HN 0.298 nan 8.370 nan 0.000 0.471 511 A N -0.136 122.401 122.820 -0.472 0.000 2.414 511 A HA 0.587 4.911 4.320 0.008 0.000 0.306 511 A C -1.691 175.945 177.584 0.088 0.000 1.054 511 A CA -0.886 51.113 52.037 -0.064 0.000 0.724 511 A CB 0.898 19.924 19.000 0.044 0.000 1.267 511 A HN 0.508 nan 8.150 nan 0.000 0.418 512 F N 2.284 122.201 119.950 -0.055 0.000 2.449 512 F HA 0.533 5.064 4.527 0.007 0.000 0.342 512 F C -0.263 175.545 175.800 0.013 0.000 1.127 512 F CA -0.881 57.044 58.000 -0.125 0.000 0.975 512 F CB 1.496 40.330 39.000 -0.278 0.000 1.146 512 F HN 0.565 nan 8.300 nan 0.000 0.444 513 L N 8.015 129.222 121.223 -0.027 0.000 2.462 513 L HA 0.200 4.545 4.340 0.008 0.000 0.272 513 L C 0.563 177.410 176.870 -0.039 0.000 1.166 513 L CA 0.633 55.346 54.840 -0.212 0.000 0.880 513 L CB 0.288 42.015 42.059 -0.553 0.000 1.142 513 L HN 0.713 nan 8.230 nan 0.000 0.473 514 I N -0.148 120.377 120.570 -0.076 0.000 4.154 514 I HA 0.487 4.662 4.170 0.008 0.000 0.334 514 I C -0.437 175.639 176.117 -0.068 0.000 1.371 514 I CA -0.033 61.273 61.300 0.010 0.000 1.110 514 I CB 0.468 38.486 38.000 0.031 0.000 1.085 514 I HN 0.535 nan 8.210 nan 0.000 0.398 515 D N 1.607 121.898 120.400 -0.181 0.000 2.333 515 D HA 0.147 4.792 4.640 0.008 0.000 0.225 515 D C 0.438 176.575 176.300 -0.270 0.000 1.345 515 D CA -0.357 53.549 54.000 -0.156 0.000 0.971 515 D CB 1.481 42.227 40.800 -0.089 0.000 1.451 515 D HN 0.140 nan 8.370 nan 0.000 0.561 516 R N 3.210 123.564 120.500 -0.243 0.000 2.090 516 R HA 0.129 4.473 4.340 0.008 0.000 0.228 516 R C 1.784 178.076 176.300 -0.015 0.000 1.110 516 R CA 0.818 56.762 56.100 -0.261 0.000 0.973 516 R CB 0.059 30.285 30.300 -0.125 0.000 0.869 516 R HN 0.512 nan 8.270 nan 0.000 0.440 517 I N 1.286 121.857 120.570 0.001 0.000 2.335 517 I HA -0.271 3.903 4.170 0.008 0.000 0.251 517 I C 0.986 177.148 176.117 0.075 0.000 1.129 517 I CA 1.207 62.535 61.300 0.047 0.000 1.402 517 I CB -0.131 37.885 38.000 0.027 0.000 1.069 517 I HN 0.254 nan 8.210 nan 0.000 0.424 518 N N -1.412 117.324 118.700 0.059 0.000 2.184 518 N HA -0.000 4.745 4.740 0.008 0.000 0.206 518 N C -0.485 175.121 175.510 0.160 0.000 1.151 518 N CA -0.141 52.962 53.050 0.089 0.000 0.878 518 N CB 0.310 38.828 38.487 0.051 0.000 1.014 518 N HN 0.240 nan 8.380 nan 0.000 0.512 519 W N 1.794 123.078 121.300 -0.027 0.000 6.880 519 W HA -0.211 4.453 4.660 0.006 0.000 0.423 519 W C -0.673 175.807 176.519 -0.065 0.000 1.695 519 W CA 0.192 57.508 57.345 -0.049 0.000 1.126 519 W CB -1.528 27.897 29.460 -0.060 0.000 2.925 519 W HN -0.007 nan 8.180 nan 0.000 1.530 520 I N 1.914 122.411 120.570 -0.122 0.000 2.412 520 I HA 0.411 4.585 4.170 0.008 0.000 0.296 520 I C 0.794 176.721 176.117 -0.318 0.000 0.987 520 I CA -0.475 60.721 61.300 -0.174 0.000 1.180 520 I CB 1.457 39.386 38.000 -0.118 0.000 1.340 520 I HN -0.137 nan 8.210 nan 0.000 0.455 521 S N 3.478 118.875 115.700 -0.506 0.000 2.667 521 S HA 0.898 5.373 4.470 0.008 0.000 0.292 521 S C -0.840 173.464 174.600 -0.494 0.000 1.126 521 S CA -0.771 57.147 58.200 -0.470 0.000 0.881 521 S CB 2.183 65.178 63.200 -0.342 0.000 1.132 521 S HN 0.719 nan 8.310 nan 0.000 0.492 522 A N 0.128 122.840 122.820 -0.179 0.000 2.449 522 A HA 0.964 5.289 4.320 0.008 0.000 0.302 522 A C -0.154 177.295 177.584 -0.224 0.000 1.048 522 A CA -0.394 51.525 52.037 -0.196 0.000 0.708 522 A CB 1.539 20.468 19.000 -0.118 0.000 1.274 522 A HN 1.218 nan 8.150 nan 0.000 0.410 523 G N -0.771 107.683 108.800 -0.577 0.000 2.600 523 G HA2 0.575 4.539 3.960 0.008 0.000 0.293 523 G HA3 0.575 4.539 3.960 0.008 0.000 0.293 523 G C -1.868 172.204 174.900 -1.380 0.000 1.408 523 G CA -0.378 44.196 45.100 -0.877 0.000 0.782 523 G HN 1.155 nan 8.290 nan 0.000 0.482 524 V N 0.658 119.848 119.914 -1.206 0.000 2.409 524 V HA 0.669 4.794 4.120 0.008 0.000 0.291 524 V C -1.127 174.419 176.094 -0.914 0.000 1.020 524 V CA -0.494 61.297 62.300 -0.849 0.000 0.848 524 V CB 0.617 32.243 31.823 -0.328 0.000 0.990 524 V HN 0.482 nan 8.190 nan 0.000 0.430 525 F N 4.044 123.906 119.950 -0.146 0.000 2.546 525 F HA 0.623 5.153 4.527 0.006 0.000 0.320 525 F C -0.006 175.733 175.800 -0.102 0.000 1.076 525 F CA -1.305 56.608 58.000 -0.145 0.000 0.928 525 F CB 1.656 40.537 39.000 -0.199 0.000 1.189 525 F HN 0.187 nan 8.300 nan 0.000 0.465 526 L N 2.317 123.596 121.223 0.092 0.000 2.268 526 L HA 0.258 4.603 4.340 0.008 0.000 0.289 526 L C -0.128 176.747 176.870 0.007 0.000 1.064 526 L CA -0.410 54.446 54.840 0.027 0.000 0.824 526 L CB 0.323 42.388 42.059 0.011 0.000 1.202 526 L HN 0.514 nan 8.230 nan 0.000 0.433 527 D N 2.633 123.042 120.400 0.016 0.000 2.600 527 D HA 0.171 4.815 4.640 0.008 0.000 0.226 527 D C -0.286 176.016 176.300 0.004 0.000 1.119 527 D CA 0.475 54.484 54.000 0.015 0.000 1.051 527 D CB 0.335 41.156 40.800 0.035 0.000 1.106 527 D HN 0.428 nan 8.370 nan 0.000 0.491 528 S N 1.732 117.415 115.700 -0.027 0.000 2.552 528 S HA 0.264 4.738 4.470 0.008 0.000 0.272 528 S C 0.443 175.003 174.600 -0.066 0.000 1.150 528 S CA -0.785 57.401 58.200 -0.025 0.000 0.849 528 S CB 0.964 64.155 63.200 -0.015 0.000 1.113 528 S HN 0.165 nan 8.310 nan 0.000 0.458 529 N N 1.530 120.205 118.700 -0.041 0.000 2.251 529 N HA 0.158 4.903 4.740 0.008 0.000 0.181 529 N C 0.651 176.123 175.510 -0.063 0.000 1.019 529 N CA 1.044 54.059 53.050 -0.058 0.000 0.862 529 N CB 0.032 38.522 38.487 0.004 0.000 0.992 529 N HN 0.682 nan 8.380 nan 0.000 0.429 530 Q N -0.570 119.206 119.800 -0.040 0.000 2.057 530 Q HA 0.158 4.502 4.340 0.008 0.000 0.216 530 Q C -0.758 175.219 176.000 -0.039 0.000 0.788 530 Q CA -0.055 55.724 55.803 -0.041 0.000 1.053 530 Q CB 1.455 30.178 28.738 -0.025 0.000 1.210 530 Q HN 0.217 nan 8.270 nan 0.000 0.455 531 T N -2.852 111.682 114.554 -0.034 0.000 2.893 531 T HA 0.695 5.050 4.350 0.008 0.000 0.293 531 T C -0.372 174.312 174.700 -0.026 0.000 1.027 531 T CA -0.880 61.205 62.100 -0.026 0.000 0.988 531 T CB 2.005 70.868 68.868 -0.007 0.000 1.043 531 T HN 0.065 nan 8.240 nan 0.000 0.461 532 A N 2.632 125.436 122.820 -0.025 0.000 2.797 532 A HA 0.564 4.888 4.320 0.008 0.000 0.296 532 A C 0.230 177.823 177.584 0.016 0.000 1.580 532 A CA -0.229 51.798 52.037 -0.016 0.000 1.277 532 A CB -0.632 18.349 19.000 -0.031 0.000 1.101 532 A HN 0.828 nan 8.150 nan 0.000 0.562 533 E N 0.922 121.130 120.200 0.013 0.000 2.413 533 E HA 0.332 4.687 4.350 0.008 0.000 0.277 533 E C -0.938 175.673 176.600 0.017 0.000 0.958 533 E CA -1.153 55.262 56.400 0.024 0.000 0.779 533 E CB 1.405 31.118 29.700 0.022 0.000 1.278 533 E HN 0.528 nan 8.360 nan 0.000 0.456 534 N N 1.688 120.399 118.700 0.019 0.000 2.643 534 N HA -0.089 4.656 4.740 0.008 0.000 0.267 534 N C -2.778 172.733 175.510 0.002 0.000 1.158 534 N CA 0.044 53.100 53.050 0.011 0.000 0.684 534 N CB -0.369 38.126 38.487 0.013 0.000 0.879 534 N HN 0.162 nan 8.380 nan 0.000 0.553 535 P HA 0.177 nan 4.420 nan 0.000 0.276 535 P C -0.600 176.661 177.300 -0.065 0.000 1.243 535 P CA -0.079 62.996 63.100 -0.040 0.000 0.768 535 P CB 0.956 32.627 31.700 -0.048 0.000 0.856 536 V N 5.441 125.322 119.914 -0.056 0.000 2.483 536 V HA 0.260 4.384 4.120 0.008 0.000 0.297 536 V C -0.056 176.000 176.094 -0.063 0.000 1.027 536 V CA -0.792 61.491 62.300 -0.029 0.000 0.855 536 V CB 1.360 33.198 31.823 0.024 0.000 0.995 536 V HN 0.415 nan 8.190 nan 0.000 0.424 537 F N 3.969 123.821 119.950 -0.164 0.000 2.504 537 F HA 0.454 4.984 4.527 0.005 0.000 0.369 537 F C 0.579 176.347 175.800 -0.054 0.000 1.082 537 F CA 0.845 58.748 58.000 -0.161 0.000 1.216 537 F CB 0.649 39.558 39.000 -0.153 0.000 1.108 537 F HN 0.524 nan 8.300 nan 0.000 0.554 538 T N 5.829 120.120 114.554 -0.438 0.000 2.881 538 T HA 0.488 4.842 4.350 0.008 0.000 0.290 538 T C -0.955 173.719 174.700 -0.044 0.000 1.000 538 T CA -0.647 61.424 62.100 -0.049 0.000 0.978 538 T CB 1.567 70.559 68.868 0.206 0.000 0.997 538 T HN 0.285 nan 8.240 nan 0.000 0.443 539 V N 5.064 124.966 119.914 -0.019 0.000 2.398 539 V HA 0.821 4.946 4.120 0.008 0.000 0.286 539 V C -0.678 175.386 176.094 -0.050 0.000 1.026 539 V CA -0.731 61.474 62.300 -0.159 0.000 0.868 539 V CB 0.517 32.022 31.823 -0.529 0.000 0.982 539 V HN 0.889 nan 8.190 nan 0.000 0.443 540 F N 2.650 122.544 119.950 -0.095 0.000 2.654 540 F HA 0.790 5.321 4.527 0.006 0.000 0.308 540 F C -0.767 175.083 175.800 0.082 0.000 1.108 540 F CA -1.216 56.779 58.000 -0.009 0.000 0.957 540 F CB 1.496 40.518 39.000 0.037 0.000 1.309 540 F HN 0.252 nan 8.300 nan 0.000 0.446 541 K N 0.615 121.157 120.400 0.236 0.000 2.393 541 K HA 0.291 4.615 4.320 0.008 0.000 0.241 541 K C -0.054 176.777 176.600 0.386 0.000 1.055 541 K CA -0.749 55.678 56.287 0.233 0.000 0.951 541 K CB 0.855 33.448 32.500 0.154 0.000 1.285 541 K HN 0.623 nan 8.250 nan 0.000 0.500 542 D N 0.913 121.490 120.400 0.295 0.000 2.116 542 D HA -0.149 4.495 4.640 0.008 0.000 0.193 542 D C 0.498 176.909 176.300 0.185 0.000 0.998 542 D CA 1.828 55.978 54.000 0.250 0.000 0.836 542 D CB -0.076 40.801 40.800 0.128 0.000 0.951 542 D HN 0.444 nan 8.370 nan 0.000 0.449 543 N N -0.502 118.281 118.700 0.139 0.000 2.238 543 N HA 0.144 4.888 4.740 0.008 0.000 0.235 543 N C -0.710 174.849 175.510 0.082 0.000 1.209 543 N CA -0.103 53.000 53.050 0.088 0.000 0.879 543 N CB 1.507 40.031 38.487 0.061 0.000 1.136 543 N HN 0.025 nan 8.380 nan 0.000 0.517 544 E N 1.007 121.278 120.200 0.118 0.000 2.397 544 E HA 0.233 4.588 4.350 0.008 0.000 0.293 544 E C -1.414 175.271 176.600 0.141 0.000 0.930 544 E CA -0.451 56.011 56.400 0.104 0.000 0.793 544 E CB 1.417 31.172 29.700 0.091 0.000 1.259 544 E HN 0.052 nan 8.360 nan 0.000 0.406 545 I N 6.334 126.971 120.570 0.111 0.000 2.352 545 I HA 0.109 4.284 4.170 0.008 0.000 0.290 545 I C 1.169 177.335 176.117 0.082 0.000 1.036 545 I CA -0.136 61.235 61.300 0.119 0.000 1.336 545 I CB 0.798 38.850 38.000 0.087 0.000 1.407 545 I HN 0.633 nan 8.210 nan 0.000 0.497 546 L N 7.011 128.244 121.223 0.017 0.000 2.071 546 L HA 0.060 4.405 4.340 0.008 0.000 0.201 546 L C -0.097 176.854 176.870 0.135 0.000 1.076 546 L CA 0.799 55.646 54.840 0.011 0.000 0.755 546 L CB -0.236 41.724 42.059 -0.166 0.000 0.915 546 L HN 0.587 nan 8.230 nan 0.000 0.445 547 Y N -1.442 118.923 120.300 0.109 0.000 2.638 547 Y HA 0.676 5.229 4.550 0.005 0.000 0.335 547 Y C -0.620 175.355 175.900 0.125 0.000 1.155 547 Y CA -1.860 56.297 58.100 0.095 0.000 1.046 547 Y CB 1.003 39.504 38.460 0.068 0.000 1.303 547 Y HN -0.001 nan 8.280 nan 0.000 0.460 548 R N 1.325 121.994 120.500 0.282 0.000 2.734 548 R HA 0.981 5.326 4.340 0.008 0.000 0.271 548 R C -2.148 174.261 176.300 0.181 0.000 1.021 548 R CA -1.141 55.088 56.100 0.214 0.000 0.893 548 R CB 1.946 32.330 30.300 0.141 0.000 1.244 548 R HN 1.366 nan 8.270 nan 0.000 0.464 549 A N 1.572 124.487 122.820 0.159 0.000 2.429 549 A HA 0.290 4.614 4.320 0.008 0.000 0.289 549 A C -1.163 176.442 177.584 0.035 0.000 1.043 549 A CA -0.666 51.418 52.037 0.079 0.000 0.722 549 A CB 1.974 20.999 19.000 0.041 0.000 1.243 549 A HN 0.719 nan 8.150 nan 0.000 0.415 550 Q N 2.263 122.068 119.800 0.009 0.000 2.297 550 Q HA 0.326 4.671 4.340 0.008 0.000 0.267 550 Q C -0.002 175.953 176.000 -0.074 0.000 1.006 550 Q CA -0.102 55.688 55.803 -0.021 0.000 0.896 550 Q CB 0.532 29.268 28.738 -0.004 0.000 1.186 550 Q HN 0.812 nan 8.270 nan 0.000 0.392 551 L N 2.718 123.854 121.223 -0.144 0.000 2.307 551 L HA 0.150 4.494 4.340 0.008 0.000 0.211 551 L C 0.872 177.670 176.870 -0.120 0.000 1.099 551 L CA 0.652 55.320 54.840 -0.286 0.000 0.816 551 L CB -0.042 41.639 42.059 -0.630 0.000 0.952 551 L HN 0.715 nan 8.230 nan 0.000 0.455 552 A N -1.313 121.476 122.820 -0.052 0.000 3.395 552 A HA 0.673 4.998 4.320 0.008 0.000 0.182 552 A C -0.214 177.373 177.584 0.005 0.000 0.937 552 A CA -0.204 51.838 52.037 0.009 0.000 1.147 552 A CB 0.546 19.566 19.000 0.034 0.000 1.734 552 A HN 0.000 nan 8.150 nan 0.000 0.684 553 S N -0.855 114.852 115.700 0.011 0.000 2.689 553 S HA 0.395 4.869 4.470 0.008 0.000 0.306 553 S C 0.609 175.215 174.600 0.010 0.000 1.104 553 S CA -0.414 57.791 58.200 0.010 0.000 0.973 553 S CB 1.568 64.774 63.200 0.010 0.000 1.121 553 S HN 0.576 nan 8.310 nan 0.000 0.523 554 E N 0.925 121.132 120.200 0.011 0.000 2.130 554 E HA -0.219 4.135 4.350 0.008 0.000 0.196 554 E C 0.592 177.201 176.600 0.015 0.000 0.998 554 E CA 1.565 57.973 56.400 0.014 0.000 0.806 554 E CB -0.024 29.684 29.700 0.014 0.000 0.738 554 E HN 0.635 nan 8.360 nan 0.000 0.459 555 D N -0.828 119.580 120.400 0.014 0.000 2.340 555 D HA -0.029 4.616 4.640 0.008 0.000 0.217 555 D C -0.097 176.214 176.300 0.019 0.000 1.081 555 D CA 0.073 54.082 54.000 0.016 0.000 0.842 555 D CB -0.153 40.654 40.800 0.011 0.000 0.934 555 D HN -0.202 nan 8.370 nan 0.000 0.511 556 T N 2.050 116.616 114.554 0.020 0.000 2.751 556 T HA 0.093 4.448 4.350 0.008 0.000 0.290 556 T C 0.244 174.972 174.700 0.047 0.000 0.919 556 T CA -0.519 61.596 62.100 0.026 0.000 1.136 556 T CB 0.126 69.011 68.868 0.027 0.000 0.875 556 T HN 0.043 nan 8.240 nan 0.000 0.532 557 N N 2.620 121.363 118.700 0.071 0.000 2.483 557 N HA 0.484 5.228 4.740 0.008 0.000 0.264 557 N C -0.233 175.357 175.510 0.134 0.000 1.197 557 N CA -0.061 53.067 53.050 0.131 0.000 0.927 557 N CB 0.890 39.547 38.487 0.283 0.000 1.065 557 N HN 0.805 nan 8.380 nan 0.000 0.461 558 A N 1.274 124.155 122.820 0.102 0.000 2.587 558 A HA 0.545 4.870 4.320 0.008 0.000 0.293 558 A C -0.084 177.537 177.584 0.062 0.000 1.087 558 A CA -0.502 51.589 52.037 0.091 0.000 0.692 558 A CB 1.956 20.997 19.000 0.068 0.000 1.291 558 A HN 0.641 nan 8.150 nan 0.000 0.407 559 Q N 0.176 120.014 119.800 0.064 0.000 2.623 559 Q HA 0.377 4.721 4.340 0.008 0.000 0.204 559 Q C -0.658 175.389 176.000 0.078 0.000 0.942 559 Q CA -0.473 55.357 55.803 0.046 0.000 0.459 559 Q CB 0.453 29.202 28.738 0.019 0.000 4.000 559 Q HN 0.667 nan 8.270 nan 0.000 0.282 560 K N 1.586 122.044 120.400 0.097 0.000 2.448 560 K HA 0.118 4.442 4.320 0.008 0.000 0.278 560 K C -0.751 175.935 176.600 0.143 0.000 1.009 560 K CA 0.602 56.981 56.287 0.153 0.000 0.995 560 K CB 0.778 33.350 32.500 0.119 0.000 0.917 560 K HN 0.434 nan 8.250 nan 0.000 0.481 561 T N 0.296 114.959 114.554 0.182 0.000 2.886 561 T HA 0.617 4.971 4.350 0.008 0.000 0.292 561 T C -0.350 174.455 174.700 0.176 0.000 1.012 561 T CA -0.925 61.243 62.100 0.114 0.000 0.982 561 T CB 0.534 69.393 68.868 -0.015 0.000 1.018 561 T HN 0.388 nan 8.240 nan 0.000 0.451 562 I N 2.893 123.548 120.570 0.141 0.000 2.468 562 I HA 0.358 4.532 4.170 0.008 0.000 0.284 562 I C -0.303 175.866 176.117 0.086 0.000 1.038 562 I CA -0.733 60.666 61.300 0.166 0.000 1.083 562 I CB 2.194 40.287 38.000 0.155 0.000 1.223 562 I HN 0.656 nan 8.210 nan 0.000 0.443 563 T N 5.120 119.694 114.554 0.033 0.000 2.797 563 T HA 0.447 4.802 4.350 0.008 0.000 0.279 563 T C -0.390 174.280 174.700 -0.049 0.000 0.991 563 T CA -0.739 61.361 62.100 0.000 0.000 0.979 563 T CB 1.132 69.965 68.868 -0.060 0.000 0.943 563 T HN 0.422 nan 8.240 nan 0.000 0.444 564 N N 1.497 120.101 118.700 -0.159 0.000 2.295 564 N HA 0.491 5.236 4.740 0.008 0.000 0.293 564 N C -1.172 173.974 175.510 -0.606 0.000 1.040 564 N CA -0.371 52.366 53.050 -0.521 0.000 0.840 564 N CB 1.957 40.365 38.487 -0.131 0.000 1.468 564 N HN 0.543 nan 8.380 nan 0.000 0.478 565 c N 1.691 119.474 118.600 -1.361 0.000 2.562 565 c HA 0.884 5.458 4.570 0.008 0.000 0.332 565 c C -0.483 173.431 174.090 -0.294 0.000 1.201 565 c CA -0.756 55.150 56.329 -0.706 0.000 1.803 565 c CB 0.190 42.414 42.510 -0.476 0.000 2.328 565 c HN 0.820 nan 8.230 nan 0.000 0.500 566 F N -1.638 118.259 119.950 -0.089 0.000 2.858 566 F HA 0.695 5.227 4.527 0.009 0.000 0.319 566 F C -1.844 174.005 175.800 0.082 0.000 1.166 566 F CA -1.450 56.557 58.000 0.011 0.000 0.899 566 F CB 0.334 39.325 39.000 -0.014 0.000 1.332 566 F HN 0.315 nan 8.300 nan 0.000 0.461 567 L N 2.254 123.670 121.223 0.322 0.000 2.312 567 L HA 0.640 4.985 4.340 0.008 0.000 0.281 567 L C -1.111 175.965 176.870 0.344 0.000 1.070 567 L CA -0.946 54.039 54.840 0.241 0.000 0.805 567 L CB 1.592 43.748 42.059 0.162 0.000 1.174 567 L HN 0.618 nan 8.230 nan 0.000 0.434 568 L N 4.545 125.955 121.223 0.311 0.000 2.406 568 L HA 0.330 4.675 4.340 0.008 0.000 0.270 568 L C -0.087 176.896 176.870 0.188 0.000 0.982 568 L CA -0.231 54.752 54.840 0.238 0.000 0.843 568 L CB 0.865 43.032 42.059 0.180 0.000 1.225 568 L HN 0.472 nan 8.230 nan 0.000 0.412 569 K N 4.478 124.947 120.400 0.115 0.000 3.156 569 K HA -0.264 4.061 4.320 0.008 0.000 0.266 569 K C 0.173 176.828 176.600 0.093 0.000 0.966 569 K CA 0.794 57.134 56.287 0.088 0.000 0.719 569 K CB -1.059 31.489 32.500 0.079 0.000 1.333 569 K HN 0.888 nan 8.250 nan 0.000 0.468 570 N N -0.786 117.970 118.700 0.094 0.000 2.800 570 N HA -0.155 4.590 4.740 0.008 0.000 0.250 570 N C -0.864 174.685 175.510 0.065 0.000 1.078 570 N CA 1.391 54.485 53.050 0.073 0.000 0.804 570 N CB -0.244 38.273 38.487 0.050 0.000 1.135 570 N HN 0.394 nan 8.380 nan 0.000 0.565 571 K N 0.694 121.154 120.400 0.100 0.000 2.244 571 K HA 0.443 4.768 4.320 0.008 0.000 0.260 571 K C 0.549 177.170 176.600 0.034 0.000 0.951 571 K CA -0.601 55.713 56.287 0.044 0.000 0.826 571 K CB 1.617 34.157 32.500 0.067 0.000 1.108 571 K HN 0.096 nan 8.250 nan 0.000 0.433 572 I N 2.489 123.003 120.570 -0.094 0.000 2.452 572 I HA 0.079 4.254 4.170 0.008 0.000 0.287 572 I C -0.393 175.530 176.117 -0.322 0.000 1.079 572 I CA -0.129 61.089 61.300 -0.136 0.000 1.387 572 I CB 0.208 38.145 38.000 -0.104 0.000 1.404 572 I HN 0.288 nan 8.210 nan 0.000 0.522 573 W N 5.547 126.565 121.300 -0.469 0.000 2.689 573 W HA 0.522 5.188 4.660 0.010 0.000 0.340 573 W C -0.732 175.312 176.519 -0.793 0.000 1.060 573 W CA -0.255 56.728 57.345 -0.603 0.000 1.218 573 W CB 1.722 30.766 29.460 -0.694 0.000 1.410 573 W HN 0.336 nan 8.180 nan 0.000 0.528 574 c N 3.757 122.229 118.600 -0.213 0.000 2.417 574 c HA 0.658 5.232 4.570 0.008 0.000 0.324 574 c C -0.043 174.059 174.090 0.020 0.000 1.240 574 c CA -0.804 55.440 56.329 -0.142 0.000 1.632 574 c CB 0.226 42.792 42.510 0.094 0.000 2.241 574 c HN 0.428 nan 8.230 nan 0.000 0.499 575 I N 2.398 123.026 120.570 0.096 0.000 2.406 575 I HA 0.365 4.540 4.170 0.008 0.000 0.290 575 I C -0.139 176.057 176.117 0.130 0.000 0.999 575 I CA 0.367 61.755 61.300 0.146 0.000 1.124 575 I CB 1.576 39.682 38.000 0.177 0.000 1.289 575 I HN 0.621 nan 8.210 nan 0.000 0.441 576 S N 6.878 122.681 115.700 0.172 0.000 2.519 576 S HA 0.495 4.970 4.470 0.008 0.000 0.309 576 S C -0.562 174.151 174.600 0.188 0.000 1.100 576 S CA -0.533 57.773 58.200 0.178 0.000 1.059 576 S CB 1.739 65.077 63.200 0.230 0.000 1.008 576 S HN 0.464 nan 8.310 nan 0.000 0.478 577 L N 4.648 125.955 121.223 0.140 0.000 2.305 577 L HA 0.674 5.019 4.340 0.008 0.000 0.281 577 L C -1.375 175.590 176.870 0.158 0.000 1.085 577 L CA -0.315 54.608 54.840 0.138 0.000 0.813 577 L CB 0.601 42.736 42.059 0.127 0.000 1.157 577 L HN 0.419 nan 8.230 nan 0.000 0.436 578 V N 4.831 124.859 119.914 0.190 0.000 2.447 578 V HA 0.258 4.383 4.120 0.008 0.000 0.292 578 V C -0.367 175.818 176.094 0.153 0.000 1.021 578 V CA -0.750 61.659 62.300 0.181 0.000 0.850 578 V CB 1.540 33.512 31.823 0.249 0.000 1.005 578 V HN 0.731 nan 8.190 nan 0.000 0.426 579 E N 4.997 125.267 120.200 0.117 0.000 2.292 579 E HA 0.193 4.547 4.350 0.008 0.000 0.265 579 E C -0.696 175.973 176.600 0.115 0.000 1.093 579 E CA -0.067 56.394 56.400 0.103 0.000 0.922 579 E CB 0.750 30.500 29.700 0.084 0.000 1.001 579 E HN 0.382 nan 8.360 nan 0.000 0.444 580 I N 4.405 125.044 120.570 0.115 0.000 2.312 580 I HA 0.079 4.253 4.170 0.008 0.000 0.290 580 I C -0.324 175.873 176.117 0.133 0.000 1.008 580 I CA -0.712 60.658 61.300 0.117 0.000 1.226 580 I CB 0.259 38.317 38.000 0.097 0.000 1.371 580 I HN 0.477 nan 8.210 nan 0.000 0.468 581 Y N 6.276 126.586 120.300 0.017 0.000 2.350 581 Y HA 0.263 4.817 4.550 0.007 0.000 0.340 581 Y C 0.098 176.000 175.900 0.004 0.000 1.006 581 Y CA -0.600 57.503 58.100 0.005 0.000 1.166 581 Y CB 0.620 39.080 38.460 0.000 0.000 1.168 581 Y HN 0.470 nan 8.280 nan 0.000 0.502 582 D N 4.517 124.595 120.400 -0.537 0.000 2.396 582 D HA 0.049 4.694 4.640 0.008 0.000 0.225 582 D C 0.883 176.634 176.300 -0.915 0.000 1.121 582 D CA 0.167 53.848 54.000 -0.531 0.000 0.853 582 D CB 1.628 42.273 40.800 -0.259 0.000 1.043 582 D HN 0.858 nan 8.370 nan 0.000 0.500 583 T N 1.762 115.830 114.554 -0.809 0.000 2.867 583 T HA -0.046 4.309 4.350 0.008 0.000 0.268 583 T C 1.743 176.298 174.700 -0.241 0.000 1.057 583 T CA 1.711 63.485 62.100 -0.543 0.000 1.136 583 T CB -0.008 68.765 68.868 -0.158 0.000 0.874 583 T HN 0.508 nan 8.240 nan 0.000 0.466 584 G N 0.616 109.299 108.800 -0.196 0.000 2.404 584 G HA2 -0.148 3.817 3.960 0.008 0.000 0.215 584 G HA3 -0.148 3.817 3.960 0.008 0.000 0.215 584 G C 1.271 176.110 174.900 -0.102 0.000 1.174 584 G CA 1.036 46.069 45.100 -0.112 0.000 0.780 584 G HN 0.477 nan 8.290 nan 0.000 0.537 585 D N 0.070 120.389 120.400 -0.135 0.000 2.333 585 D HA 0.011 4.655 4.640 0.008 0.000 0.208 585 D C 0.937 177.190 176.300 -0.078 0.000 0.984 585 D CA -0.046 53.897 54.000 -0.095 0.000 0.873 585 D CB -0.109 40.637 40.800 -0.091 0.000 0.935 585 D HN 0.142 nan 8.370 nan 0.000 0.521 586 N N 0.339 118.960 118.700 -0.131 0.000 2.671 586 N HA -0.187 4.558 4.740 0.008 0.000 0.261 586 N C -1.310 174.252 175.510 0.086 0.000 1.053 586 N CA 0.299 53.351 53.050 0.003 0.000 0.732 586 N CB -0.886 37.649 38.487 0.080 0.000 0.887 586 N HN 0.134 nan 8.380 nan 0.000 0.546 587 V N 2.501 122.429 119.914 0.023 0.000 2.817 587 V HA 0.512 4.636 4.120 0.008 0.000 0.303 587 V C -0.389 175.787 176.094 0.137 0.000 1.151 587 V CA -0.882 61.469 62.300 0.085 0.000 0.929 587 V CB 2.143 33.968 31.823 0.003 0.000 1.030 587 V HN 0.171 nan 8.190 nan 0.000 0.427 588 I N 6.306 126.990 120.570 0.189 0.000 2.385 588 I HA 0.616 4.791 4.170 0.008 0.000 0.294 588 I C 0.040 176.190 176.117 0.055 0.000 0.988 588 I CA -0.591 60.806 61.300 0.162 0.000 1.265 588 I CB 1.553 39.634 38.000 0.134 0.000 1.388 588 I HN 0.603 nan 8.210 nan 0.000 0.480 589 R N 7.435 127.961 120.500 0.043 0.000 2.548 589 R HA 0.431 4.776 4.340 0.008 0.000 0.280 589 R C -2.827 173.490 176.300 0.029 0.000 1.061 589 R CA -1.562 54.542 56.100 0.007 0.000 0.915 589 R CB 2.842 33.131 30.300 -0.018 0.000 1.210 589 R HN 0.239 nan 8.270 nan 0.000 0.442 590 P HA 0.183 nan 4.420 nan 0.000 0.276 590 P C -1.215 176.093 177.300 0.012 0.000 1.235 590 P CA -0.157 62.981 63.100 0.063 0.000 0.772 590 P CB 1.022 32.795 31.700 0.122 0.000 0.871 591 K N 2.684 123.087 120.400 0.006 0.000 2.156 591 K HA 0.570 4.894 4.320 0.008 0.000 0.254 591 K C -0.344 176.153 176.600 -0.172 0.000 0.950 591 K CA -0.902 55.302 56.287 -0.139 0.000 0.849 591 K CB 1.433 33.824 32.500 -0.182 0.000 1.100 591 K HN 0.434 nan 8.250 nan 0.000 0.434 592 L N 3.297 124.308 121.223 -0.353 0.000 2.313 592 L HA 0.510 4.855 4.340 0.008 0.000 0.283 592 L C -0.987 175.613 176.870 -0.449 0.000 1.013 592 L CA -0.753 53.932 54.840 -0.259 0.000 0.816 592 L CB 0.652 42.572 42.059 -0.230 0.000 1.236 592 L HN 0.454 nan 8.230 nan 0.000 0.419 593 F N 1.536 121.469 119.950 -0.028 0.000 2.532 593 F HA 0.712 5.245 4.527 0.010 0.000 0.321 593 F C 0.268 176.056 175.800 -0.020 0.000 1.089 593 F CA -0.682 57.301 58.000 -0.028 0.000 0.926 593 F CB 2.062 41.049 39.000 -0.022 0.000 1.168 593 F HN 0.401 nan 8.300 nan 0.000 0.459 594 A N 2.482 125.406 122.820 0.173 0.000 2.303 594 A HA 0.847 5.172 4.320 0.008 0.000 0.320 594 A C -1.441 176.282 177.584 0.231 0.000 1.192 594 A CA -0.654 51.500 52.037 0.195 0.000 0.821 594 A CB 0.983 20.058 19.000 0.124 0.000 1.188 594 A HN 0.551 nan 8.150 nan 0.000 0.492 595 V N 2.491 122.459 119.914 0.090 0.000 2.525 595 V HA 0.371 4.495 4.120 0.008 0.000 0.299 595 V C -0.027 175.757 176.094 -0.517 0.000 1.034 595 V CA -0.834 61.289 62.300 -0.295 0.000 0.863 595 V CB 1.555 32.857 31.823 -0.869 0.000 0.999 595 V HN 0.954 nan 8.190 nan 0.000 0.423 596 K N 4.508 124.282 120.400 -1.043 0.000 2.276 596 K HA 0.421 4.745 4.320 0.008 0.000 0.283 596 K C -0.395 175.809 176.600 -0.659 0.000 1.044 596 K CA -0.620 54.833 56.287 -1.391 0.000 0.944 596 K CB 0.646 32.130 32.500 -1.694 0.000 1.012 596 K HN 0.519 nan 8.250 nan 0.000 0.472 597 I N 7.623 127.909 120.570 -0.474 0.000 2.436 597 I HA 0.125 4.299 4.170 0.008 0.000 0.289 597 I C -1.860 174.135 176.117 -0.203 0.000 1.083 597 I CA -2.776 58.408 61.300 -0.193 0.000 1.372 597 I CB 0.134 38.092 38.000 -0.071 0.000 1.408 597 I HN 0.577 nan 8.210 nan 0.000 0.516 598 P HA 0.151 nan 4.420 nan 0.000 0.271 598 P C 0.352 177.566 177.300 -0.144 0.000 1.216 598 P CA -0.144 62.837 63.100 -0.199 0.000 0.776 598 P CB 1.227 32.778 31.700 -0.249 0.000 0.881 599 E N 0.981 121.106 120.200 -0.126 0.000 2.076 599 E HA -0.098 4.256 4.350 0.008 0.000 0.190 599 E C 0.551 177.102 176.600 -0.082 0.000 0.979 599 E CA 0.876 57.226 56.400 -0.083 0.000 0.807 599 E CB 0.179 29.838 29.700 -0.068 0.000 0.761 599 E HN 0.588 nan 8.360 nan 0.000 0.454 600 Q N -0.677 119.062 119.800 -0.103 0.000 2.204 600 Q HA 0.252 4.597 4.340 0.008 0.000 0.254 600 Q C 0.261 176.173 176.000 -0.146 0.000 0.981 600 Q CA -0.659 55.085 55.803 -0.098 0.000 0.897 600 Q CB 1.908 30.599 28.738 -0.078 0.000 1.273 600 Q HN 0.145 nan 8.270 nan 0.000 0.464 601 c N -0.015 118.512 118.600 -0.122 0.000 2.799 601 c HA 0.132 4.706 4.570 0.008 0.000 0.267 601 c C 1.048 175.065 174.090 -0.122 0.000 1.257 601 c CA 0.024 56.263 56.329 -0.151 0.000 1.702 601 c CB -0.602 41.855 42.510 -0.088 0.000 1.934 601 c HN 0.842 nan 8.230 nan 0.000 0.594 602 T N 0.000 114.499 114.554 -0.092 0.000 3.816 602 T HA 0.000 4.355 4.350 0.008 0.000 0.228 602 T CA 0.000 62.058 62.100 -0.070 0.000 1.349 602 T CB 0.000 68.840 68.868 -0.046 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658