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 3iyl_1_X DATA FIRST_RESID 188 DATA SEQUENCE ANGPELIIED TGLCTSFMLL DNIPSAHLTK ELIGFTWFMQ MYQMTPPLPE DATA SEQUENCE GAVNRIVCMT NWASLGDEGR GLEVRLPPPT DSSVHAYKTV LSRGYIDNAQ DATA SEQUENCE FNPLALRSNV LLMLLQFTLS NLKINKSSTF TSDVTTITSG RMIRAFXXXP DATA SEQUENCE ELLALAYPGR AVLPTQTKNA QFLSTAIADR IGRLDRANLI GGEVSAMVEC DATA SEQUENCE MELCDALTLH IRETYIMLLR SMHQDPTQIV QIVNECANNL LNSTIPISLR DATA SEQUENCE PTILCPWFAS SEDLRLQQVM HLVNISSNTA AALPLVEALS TLLRSVTPLV DATA SEQUENCE LDPTVLTNAI TTISESTTQT ISPISEILRL LQPXXXDYAA FWKCIASWAY DATA SEQUENCE NGLVTTVLSE DAFPDSSQSI THLPSMWKCL FLTLAGPMTS DPHSPVKVFM DATA SEQUENCE ALANLLAQPE PIAIGVPGMH QTTPASQFSH PGVWPPGFLN PQLINPQQAP DATA SEQUENCE LLRAFAEHIR ANWPQPSEFG YGSTLQGSAN LFIPSNRMVY PWPNQPLPRL DATA SEQUENCE TVAPTYDSAM SNWISTTIAF FIRVVNSVNM TATVNDLTRR TMTGVMTAMR DATA SEQUENCE QVKTMTPFYI QHMCPTELSV LASVTVTPPF QVPFTRLVQN DVITNVLVAR DATA SEQUENCE VDPAQRGDAA VDIRATHATF AAALPVDPAA IVVAMLCGQT ETNLIPSHHY DATA SEQUENCE GKAFAPLFAS NAMFTRNQRA VITREAFVCA RSAVAQCQDA GFLVPRPLDA DATA SEQUENCE LRQFDVTSAA AAEIMHAVND AFKTAFDLDG ALLDGLALYG DPRIADLSAA DATA SEQUENCE YLQYGGNVVR EHVPPGPSHI HRALQQVEST FMAEMNLFNV ARGNLYLVQT DATA SEQUENCE ATNGNWSPMA PVAAPPFVRG GPNVRVVGRF GTIVPRPNGL EPQLIDDGNV DATA SEQUENCE PRDIAGDWVY PSDVLQVSVA VFRDYVWPMV KAGRTRVLVE LGHYVYTLHY DATA SEQUENCE YDPQISLDEA PILEEWLSKI NPAGIPPVPF CIPIPQVYPC ITARRVHYAF DATA SEQUENCE TSENNNDSLF STNAASIDTA FGENAAVSPL RWPGLVDPNY RVGTNDLPNR DATA SEQUENCE ITLYNSLYRY NFTYPTLDGI MYVR 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 188 A HA 0.000 nan 4.320 nan 0.000 0.244 188 A C 0.000 177.593 177.584 0.016 0.000 1.274 188 A CA 0.000 52.040 52.037 0.005 0.000 0.836 188 A CB 0.000 19.003 19.000 0.005 0.000 0.831 189 N N 2.338 121.048 118.700 0.017 0.000 3.044 189 N HA 0.417 5.157 4.740 0.000 0.000 0.254 189 N C 0.144 175.675 175.510 0.035 0.000 1.253 189 N CA 0.230 53.297 53.050 0.028 0.000 0.944 189 N CB 0.712 39.214 38.487 0.026 0.000 1.217 189 N HN 0.836 nan 8.380 nan 0.000 0.498 190 G N 2.119 110.946 108.800 0.044 0.000 2.388 190 G HA2 0.380 4.340 3.960 0.000 0.000 0.330 190 G HA3 0.380 4.340 3.960 0.000 0.000 0.330 190 G C -2.535 172.415 174.900 0.083 0.000 1.142 190 G CA -1.063 44.070 45.100 0.055 0.000 0.908 190 G HN 0.291 nan 8.290 nan 0.000 0.473 191 P HA 0.034 nan 4.420 nan 0.000 0.262 191 P C 0.165 177.591 177.300 0.210 0.000 1.182 191 P CA 0.086 63.302 63.100 0.194 0.000 0.761 191 P CB 0.741 32.533 31.700 0.154 0.000 0.795 192 E N 3.214 123.537 120.200 0.204 0.000 1.858 192 E HA 0.026 4.376 4.350 0.000 0.000 0.278 192 E C 0.193 176.869 176.600 0.128 0.000 1.172 192 E CA -0.537 55.928 56.400 0.109 0.000 1.127 192 E CB -0.254 29.468 29.700 0.035 0.000 1.084 192 E HN 0.153 nan 8.360 nan 0.000 0.455 193 L N 2.795 124.112 121.223 0.158 0.000 1.937 193 L HA -0.079 4.261 4.340 0.000 0.000 0.213 193 L C 1.356 178.290 176.870 0.106 0.000 1.077 193 L CA 1.386 56.343 54.840 0.194 0.000 0.758 193 L CB -0.602 41.520 42.059 0.105 0.000 0.888 193 L HN 0.602 nan 8.230 nan 0.000 0.433 194 I N -0.144 120.370 120.570 -0.093 0.000 2.581 194 I HA 0.054 4.224 4.170 0.000 0.000 0.285 194 I C -0.193 175.865 176.117 -0.099 0.000 1.129 194 I CA 0.750 61.918 61.300 -0.220 0.000 1.397 194 I CB -0.170 37.363 38.000 -0.778 0.000 1.399 194 I HN 0.095 nan 8.210 nan 0.000 0.537 195 I N 5.996 126.574 120.570 0.013 0.000 2.714 195 I HA 0.177 4.347 4.170 0.000 0.000 0.274 195 I C -0.017 176.139 176.117 0.066 0.000 1.261 195 I CA -0.272 61.036 61.300 0.014 0.000 1.008 195 I CB 0.862 38.835 38.000 -0.044 0.000 1.289 195 I HN 0.719 nan 8.210 nan 0.000 0.529 196 E N 3.122 123.384 120.200 0.104 0.000 2.436 196 E HA 0.079 4.429 4.350 0.000 0.000 0.262 196 E C -0.611 176.034 176.600 0.076 0.000 1.063 196 E CA 0.268 56.750 56.400 0.136 0.000 0.944 196 E CB 0.764 30.567 29.700 0.172 0.000 0.950 196 E HN 0.247 nan 8.360 nan 0.000 0.444 197 D N 0.505 120.949 120.400 0.074 0.000 2.763 197 D HA 0.143 4.783 4.640 0.000 0.000 0.235 197 D C -0.157 176.166 176.300 0.038 0.000 1.334 197 D CA -0.384 53.636 54.000 0.033 0.000 0.950 197 D CB 1.429 42.232 40.800 0.005 0.000 1.433 197 D HN 0.262 nan 8.370 nan 0.000 0.580 198 T N 1.335 115.906 114.554 0.028 0.000 2.735 198 T HA 0.204 4.554 4.350 0.000 0.000 0.256 198 T C 1.329 176.055 174.700 0.045 0.000 1.042 198 T CA 0.583 62.695 62.100 0.020 0.000 1.147 198 T CB -0.653 68.220 68.868 0.009 0.000 0.865 198 T HN 0.536 nan 8.240 nan 0.000 0.421 199 G N 3.418 112.260 108.800 0.070 0.000 2.257 199 G HA2 0.223 4.183 3.960 0.000 0.000 0.235 199 G HA3 0.223 4.183 3.960 0.000 0.000 0.235 199 G C 0.262 175.187 174.900 0.041 0.000 1.225 199 G CA -0.438 44.726 45.100 0.106 0.000 0.878 199 G HN 0.771 nan 8.290 nan 0.000 0.505 200 L N 1.909 123.185 121.223 0.087 0.000 2.660 200 L HA 0.168 4.508 4.340 0.000 0.000 0.272 200 L C 1.068 177.865 176.870 -0.123 0.000 1.194 200 L CA -1.032 53.803 54.840 -0.008 0.000 0.945 200 L CB -0.873 41.167 42.059 -0.030 0.000 1.212 200 L HN 0.581 nan 8.230 nan 0.000 0.490 201 C N 3.871 123.141 119.300 -0.050 0.000 2.667 201 C HA 0.546 5.006 4.460 0.000 0.000 0.392 201 C C 0.658 175.646 174.990 -0.004 0.000 1.332 201 C CA 0.530 59.522 59.018 -0.044 0.000 1.594 201 C CB -0.876 26.872 27.740 0.015 0.000 2.345 201 C HN 1.003 nan 8.230 nan 0.000 0.594 202 T N 3.069 117.607 114.554 -0.028 0.000 2.942 202 T HA 0.499 4.849 4.350 0.000 0.000 0.327 202 T C -0.046 174.791 174.700 0.229 0.000 1.360 202 T CA -0.298 61.902 62.100 0.167 0.000 1.055 202 T CB 1.582 70.601 68.868 0.252 0.000 1.261 202 T HN 0.694 nan 8.240 nan 0.000 0.485 203 S N 2.492 118.410 115.700 0.363 0.000 2.941 203 S HA 0.442 4.912 4.470 0.000 0.000 0.251 203 S C -1.266 173.124 174.600 -0.350 0.000 1.029 203 S CA -0.297 57.972 58.200 0.115 0.000 1.062 203 S CB -0.152 63.012 63.200 -0.061 0.000 0.977 203 S HN 0.550 nan 8.310 nan 0.000 0.552 204 F N 2.451 122.529 119.950 0.214 0.000 3.034 204 F HA 0.409 4.936 4.527 0.000 0.000 0.371 204 F C -0.119 175.494 175.800 -0.312 0.000 1.233 204 F CA -1.029 56.925 58.000 -0.077 0.000 1.134 204 F CB 0.770 39.736 39.000 -0.056 0.000 1.495 204 F HN 0.092 nan 8.300 nan 0.000 0.563 205 M N 2.348 121.516 119.600 -0.721 0.000 2.274 205 M HA 0.551 5.031 4.480 0.000 0.000 0.344 205 M C -0.729 175.153 176.300 -0.698 0.000 1.161 205 M CA -0.615 53.914 55.300 -1.285 0.000 1.126 205 M CB 1.093 32.347 32.600 -2.244 0.000 1.522 205 M HN 0.184 nan 8.290 nan 0.000 0.461 206 L N 4.916 125.746 121.223 -0.654 0.000 2.395 206 L HA 0.254 4.594 4.340 0.000 0.000 0.268 206 L C -0.303 176.293 176.870 -0.456 0.000 1.223 206 L CA -0.179 54.296 54.840 -0.608 0.000 1.093 206 L CB -1.244 40.305 42.059 -0.851 0.000 1.349 206 L HN 0.766 nan 8.230 nan 0.000 0.427 207 L N 3.099 124.103 121.223 -0.366 0.000 2.485 207 L HA 0.161 4.501 4.340 0.000 0.000 0.279 207 L C 0.448 177.224 176.870 -0.157 0.000 1.124 207 L CA -0.164 54.526 54.840 -0.250 0.000 0.888 207 L CB 0.177 42.113 42.059 -0.204 0.000 1.217 207 L HN 0.515 nan 8.230 nan 0.000 0.464 208 D N 3.628 123.956 120.400 -0.119 0.000 2.389 208 D HA 0.009 4.649 4.640 0.000 0.000 0.263 208 D C 0.291 176.561 176.300 -0.051 0.000 1.255 208 D CA 0.198 54.164 54.000 -0.056 0.000 0.914 208 D CB 0.430 41.219 40.800 -0.018 0.000 1.116 208 D HN 0.665 nan 8.370 nan 0.000 0.502 209 N N 3.208 121.875 118.700 -0.054 0.000 2.440 209 N HA 0.127 4.867 4.740 0.000 0.000 0.264 209 N C 0.120 175.581 175.510 -0.082 0.000 1.328 209 N CA -0.450 52.561 53.050 -0.065 0.000 0.882 209 N CB 0.057 38.501 38.487 -0.073 0.000 1.122 209 N HN 0.378 nan 8.380 nan 0.000 0.422 210 I N 3.520 123.997 120.570 -0.155 0.000 3.247 210 I HA -0.087 4.083 4.170 0.000 0.000 0.309 210 I C -1.864 174.208 176.117 -0.076 0.000 1.246 210 I CA -0.456 60.754 61.300 -0.150 0.000 1.384 210 I CB -1.579 36.226 38.000 -0.324 0.000 1.401 210 I HN 0.307 nan 8.210 nan 0.000 0.520 211 P HA 0.097 nan 4.420 nan 0.000 0.272 211 P C -0.311 177.044 177.300 0.091 0.000 1.223 211 P CA -0.388 62.730 63.100 0.031 0.000 0.784 211 P CB 0.753 32.448 31.700 -0.009 0.000 0.923 212 S N 0.699 116.531 115.700 0.219 0.000 2.548 212 S HA 0.374 4.844 4.470 0.000 0.000 0.277 212 S C 0.526 175.354 174.600 0.380 0.000 1.315 212 S CA -0.433 57.946 58.200 0.299 0.000 1.050 212 S CB 0.254 63.701 63.200 0.411 0.000 0.918 212 S HN 0.614 nan 8.310 nan 0.000 0.497 213 A N 3.489 126.463 122.820 0.258 0.000 2.491 213 A HA 0.187 4.507 4.320 0.000 0.000 0.261 213 A C 0.020 177.834 177.584 0.384 0.000 1.101 213 A CA -0.257 51.913 52.037 0.221 0.000 0.772 213 A CB -0.387 18.692 19.000 0.132 0.000 1.043 213 A HN 0.940 nan 8.150 nan 0.000 0.501 214 H N 2.502 121.699 119.070 0.211 0.000 2.955 214 H HA 0.349 4.905 4.556 0.000 0.000 0.290 214 H C -0.089 175.314 175.328 0.126 0.000 1.047 214 H CA -0.245 55.965 56.048 0.270 0.000 1.484 214 H CB 0.181 30.028 29.762 0.142 0.000 1.501 214 H HN 0.653 nan 8.280 nan 0.000 0.521 215 L N 0.910 122.255 121.223 0.203 0.000 2.362 215 L HA 0.485 4.825 4.340 0.000 0.000 0.275 215 L C 0.516 177.409 176.870 0.039 0.000 0.998 215 L CA -0.791 54.103 54.840 0.090 0.000 0.820 215 L CB 2.256 44.344 42.059 0.049 0.000 1.270 215 L HN 0.556 nan 8.230 nan 0.000 0.415 216 T N -1.701 112.867 114.554 0.024 0.000 2.989 216 T HA 0.062 4.412 4.350 0.000 0.000 0.250 216 T C 1.413 176.103 174.700 -0.017 0.000 0.981 216 T CA 0.311 62.408 62.100 -0.005 0.000 0.980 216 T CB 0.244 69.117 68.868 0.008 0.000 1.133 216 T HN 0.567 nan 8.240 nan 0.000 0.489 217 K N 2.042 122.436 120.400 -0.010 0.000 1.969 217 K HA 0.078 4.398 4.320 0.000 0.000 0.216 217 K C 1.096 177.680 176.600 -0.026 0.000 1.048 217 K CA 1.428 57.705 56.287 -0.017 0.000 0.948 217 K CB -0.353 32.139 32.500 -0.014 0.000 0.726 217 K HN 0.592 nan 8.250 nan 0.000 0.442 218 E N -0.436 119.744 120.200 -0.035 0.000 2.285 218 E HA 0.257 4.607 4.350 0.000 0.000 0.254 218 E C -0.598 175.982 176.600 -0.034 0.000 1.011 218 E CA -0.200 56.174 56.400 -0.044 0.000 0.873 218 E CB 0.739 30.396 29.700 -0.071 0.000 1.229 218 E HN 0.286 nan 8.360 nan 0.000 0.422 219 L N 0.194 121.414 121.223 -0.005 0.000 4.099 219 L HA -0.201 4.139 4.340 0.000 0.000 0.491 219 L C -0.805 176.125 176.870 0.101 0.000 1.089 219 L CA 0.269 55.184 54.840 0.126 0.000 0.650 219 L CB -1.854 40.329 42.059 0.207 0.000 1.296 219 L HN 0.357 nan 8.230 nan 0.000 0.750 220 I N 1.603 122.147 120.570 -0.044 0.000 2.720 220 I HA 0.444 4.614 4.170 0.000 0.000 0.287 220 I C 1.684 177.634 176.117 -0.279 0.000 1.090 220 I CA 0.670 61.880 61.300 -0.149 0.000 1.384 220 I CB 1.058 38.971 38.000 -0.146 0.000 1.420 220 I HN 0.711 nan 8.210 nan 0.000 0.575 221 G N 3.662 112.168 108.800 -0.490 0.000 2.299 221 G HA2 -0.328 3.632 3.960 0.000 0.000 0.237 221 G HA3 -0.328 3.632 3.960 0.000 0.000 0.237 221 G C 0.798 175.351 174.900 -0.578 0.000 1.027 221 G CA 0.206 44.868 45.100 -0.729 0.000 0.619 221 G HN 0.527 nan 8.290 nan 0.000 0.513 222 F N 1.938 121.716 119.950 -0.286 0.000 2.120 222 F HA 0.137 4.664 4.527 0.000 0.000 0.300 222 F C 2.103 177.788 175.800 -0.191 0.000 1.095 222 F CA 2.261 60.178 58.000 -0.137 0.000 1.249 222 F CB -0.181 38.779 39.000 -0.067 0.000 0.995 222 F HN 0.396 nan 8.300 nan 0.000 0.480 223 T N -0.865 113.559 114.554 -0.217 0.000 2.847 223 T HA 0.376 4.726 4.350 0.000 0.000 0.291 223 T C -1.162 173.133 174.700 -0.674 0.000 0.998 223 T CA -0.625 61.280 62.100 -0.324 0.000 0.967 223 T CB 0.161 68.864 68.868 -0.275 0.000 0.954 223 T HN 0.070 nan 8.240 nan 0.000 0.441 224 W N 4.297 125.386 121.300 -0.351 0.000 2.417 224 W HA 0.660 5.320 4.660 0.000 0.000 0.317 224 W C -0.537 175.744 176.519 -0.397 0.000 1.121 224 W CA -1.262 55.907 57.345 -0.295 0.000 1.208 224 W CB 0.684 30.108 29.460 -0.061 0.000 1.253 224 W HN 0.537 nan 8.180 nan 0.000 0.533 225 F N 3.849 123.946 119.950 0.245 0.000 2.426 225 F HA 0.177 4.704 4.527 0.000 0.000 0.348 225 F C 1.443 177.375 175.800 0.220 0.000 1.124 225 F CA -1.107 56.979 58.000 0.143 0.000 1.008 225 F CB 1.434 40.418 39.000 -0.027 0.000 1.139 225 F HN 0.210 nan 8.300 nan 0.000 0.452 226 M N 1.355 121.181 119.600 0.377 0.000 2.255 226 M HA -0.256 4.224 4.480 0.000 0.000 0.259 226 M C 2.177 178.666 176.300 0.315 0.000 1.071 226 M CA 1.394 56.875 55.300 0.302 0.000 1.074 226 M CB -0.910 31.796 32.600 0.177 0.000 1.384 226 M HN 0.740 nan 8.290 nan 0.000 0.415 227 Q N 0.877 120.831 119.800 0.257 0.000 2.152 227 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 227 Q C 1.939 178.019 176.000 0.133 0.000 0.985 227 Q CA 2.249 58.144 55.803 0.153 0.000 0.863 227 Q CB -0.545 28.229 28.738 0.061 0.000 0.904 227 Q HN 0.724 nan 8.270 nan 0.000 0.422 228 M N -2.162 117.527 119.600 0.148 0.000 2.460 228 M HA -0.088 4.392 4.480 0.000 0.000 0.263 228 M C 0.166 176.368 176.300 -0.163 0.000 1.071 228 M CA 1.354 56.637 55.300 -0.028 0.000 1.096 228 M CB -0.148 32.398 32.600 -0.090 0.000 1.408 228 M HN 0.116 nan 8.290 nan 0.000 0.463 229 Y N 1.634 121.982 120.300 0.081 0.000 2.801 229 Y HA 0.346 4.896 4.550 0.000 0.000 0.318 229 Y C -0.064 175.862 175.900 0.043 0.000 1.073 229 Y CA -0.797 57.335 58.100 0.054 0.000 1.360 229 Y CB -0.305 38.181 38.460 0.044 0.000 1.220 229 Y HN 0.342 nan 8.280 nan 0.000 0.536 230 Q N 0.812 120.694 119.800 0.137 0.000 2.368 230 Q HA -0.240 4.100 4.340 0.000 0.000 0.352 230 Q C -0.428 175.637 176.000 0.109 0.000 1.301 230 Q CA 1.193 57.055 55.803 0.098 0.000 1.059 230 Q CB -1.033 27.745 28.738 0.067 0.000 1.281 230 Q HN 0.641 nan 8.270 nan 0.000 0.406 231 M N 0.369 120.047 119.600 0.130 0.000 2.215 231 M HA 0.193 4.673 4.480 0.000 0.000 0.251 231 M C -0.664 175.691 176.300 0.091 0.000 0.987 231 M CA -0.381 54.979 55.300 0.099 0.000 1.025 231 M CB 1.468 34.125 32.600 0.095 0.000 2.064 231 M HN 0.276 nan 8.290 nan 0.000 0.473 232 T N 3.123 117.718 114.554 0.070 0.000 2.871 232 T HA 0.263 4.613 4.350 0.000 0.000 0.296 232 T C -2.295 172.444 174.700 0.065 0.000 0.998 232 T CA -0.875 61.265 62.100 0.066 0.000 1.162 232 T CB -0.226 68.671 68.868 0.049 0.000 0.947 232 T HN 0.475 nan 8.240 nan 0.000 0.536 233 P HA 0.171 nan 4.420 nan 0.000 0.271 233 P C -1.754 175.584 177.300 0.063 0.000 1.220 233 P CA -1.606 61.540 63.100 0.075 0.000 0.768 233 P CB 0.844 32.609 31.700 0.110 0.000 0.848 234 P HA -0.071 nan 4.420 nan 0.000 0.215 234 P C 0.436 177.777 177.300 0.069 0.000 1.157 234 P CA 1.130 64.261 63.100 0.051 0.000 0.863 234 P CB 0.221 31.933 31.700 0.021 0.000 0.787 235 L N 1.364 122.634 121.223 0.078 0.000 2.343 235 L HA 0.429 4.769 4.340 0.000 0.000 0.275 235 L C -2.060 174.869 176.870 0.099 0.000 1.056 235 L CA -2.549 52.360 54.840 0.114 0.000 0.804 235 L CB 0.035 42.217 42.059 0.205 0.000 1.203 235 L HN -0.065 nan 8.230 nan 0.000 0.440 236 P HA 0.026 nan 4.420 nan 0.000 0.266 236 P C -0.952 176.420 177.300 0.120 0.000 1.195 236 P CA -0.126 62.999 63.100 0.042 0.000 0.768 236 P CB 0.578 32.247 31.700 -0.052 0.000 0.838 237 E N 1.419 121.697 120.200 0.130 0.000 2.256 237 E HA 0.548 4.898 4.350 0.000 0.000 0.243 237 E C -0.017 176.707 176.600 0.206 0.000 0.925 237 E CA -0.526 55.990 56.400 0.194 0.000 0.748 237 E CB 1.046 30.916 29.700 0.284 0.000 1.206 237 E HN 0.628 nan 8.360 nan 0.000 0.428 238 G N 0.292 109.183 108.800 0.151 0.000 2.684 238 G HA2 0.437 4.397 3.960 0.000 0.000 0.290 238 G HA3 0.437 4.397 3.960 0.000 0.000 0.290 238 G C 0.326 175.268 174.900 0.070 0.000 1.425 238 G CA -0.229 44.943 45.100 0.119 0.000 0.822 238 G HN 0.356 nan 8.290 nan 0.000 0.482 239 A N -1.119 121.721 122.820 0.034 0.000 2.070 239 A HA 0.381 4.701 4.320 0.000 0.000 0.220 239 A C 0.696 178.224 177.584 -0.093 0.000 1.159 239 A CA 1.616 53.644 52.037 -0.016 0.000 0.656 239 A CB -0.205 18.778 19.000 -0.029 0.000 0.800 239 A HN 1.273 nan 8.150 nan 0.000 0.453 240 V N 0.933 120.766 119.914 -0.135 0.000 2.653 240 V HA 0.251 4.371 4.120 0.000 0.000 0.298 240 V C -1.750 174.294 176.094 -0.082 0.000 1.097 240 V CA -1.146 61.048 62.300 -0.177 0.000 0.908 240 V CB 1.740 33.257 31.823 -0.510 0.000 1.024 240 V HN 0.357 nan 8.190 nan 0.000 0.435 241 N N 4.201 122.921 118.700 0.033 0.000 2.621 241 N HA 0.404 5.144 4.740 0.000 0.000 0.237 241 N C -0.284 175.297 175.510 0.118 0.000 0.997 241 N CA -0.633 52.466 53.050 0.081 0.000 0.918 241 N CB 1.776 40.378 38.487 0.191 0.000 1.122 241 N HN 0.497 nan 8.380 nan 0.000 0.510 242 R N 1.202 121.727 120.500 0.043 0.000 2.582 242 R HA 0.355 4.695 4.340 0.000 0.000 0.271 242 R C 0.373 176.661 176.300 -0.021 0.000 1.078 242 R CA -0.246 55.890 56.100 0.060 0.000 1.127 242 R CB 1.242 31.576 30.300 0.056 0.000 1.038 242 R HN 0.475 nan 8.270 nan 0.000 0.500 243 I N 2.694 123.272 120.570 0.014 0.000 2.316 243 I HA 0.089 4.259 4.170 0.000 0.000 0.286 243 I C 0.456 176.562 176.117 -0.018 0.000 1.107 243 I CA -0.396 60.866 61.300 -0.063 0.000 1.219 243 I CB 1.114 39.117 38.000 0.005 0.000 1.455 243 I HN 0.150 nan 8.210 nan 0.000 0.498 244 V N 6.150 126.012 119.914 -0.086 0.000 3.036 244 V HA 0.329 4.449 4.120 0.000 0.000 0.308 244 V C 0.021 176.020 176.094 -0.158 0.000 1.070 244 V CA -0.421 61.828 62.300 -0.085 0.000 1.056 244 V CB 1.811 33.575 31.823 -0.098 0.000 1.084 244 V HN 0.892 nan 8.190 nan 0.000 0.471 245 C N 6.758 125.899 119.300 -0.265 0.000 2.303 245 C HA 0.814 5.274 4.460 0.000 0.000 0.326 245 C C -0.489 174.273 174.990 -0.381 0.000 1.285 245 C CA -0.838 57.871 59.018 -0.514 0.000 1.675 245 C CB -0.245 26.869 27.740 -1.045 0.000 2.289 245 C HN 0.882 nan 8.230 nan 0.000 0.512 246 M N 5.050 124.476 119.600 -0.290 0.000 2.124 246 M HA 0.267 4.747 4.480 0.000 0.000 0.280 246 M C -0.082 176.216 176.300 -0.003 0.000 0.954 246 M CA -0.009 55.230 55.300 -0.102 0.000 0.958 246 M CB 2.335 34.923 32.600 -0.019 0.000 1.611 246 M HN 0.795 nan 8.290 nan 0.000 0.449 247 T N 1.978 116.490 114.554 -0.069 0.000 2.867 247 T HA 0.130 4.480 4.350 0.000 0.000 0.297 247 T C 0.727 175.384 174.700 -0.072 0.000 0.989 247 T CA -0.294 61.728 62.100 -0.131 0.000 1.159 247 T CB -0.075 68.640 68.868 -0.255 0.000 0.928 247 T HN 0.795 nan 8.240 nan 0.000 0.538 248 N N 0.260 118.908 118.700 -0.086 0.000 2.800 248 N HA -0.175 4.565 4.740 0.000 0.000 0.250 248 N C 1.116 176.551 175.510 -0.125 0.000 1.078 248 N CA 1.249 54.213 53.050 -0.143 0.000 0.804 248 N CB -1.592 36.816 38.487 -0.132 0.000 1.135 248 N HN 0.971 nan 8.380 nan 0.000 0.565 249 W N 0.205 121.444 121.300 -0.100 0.000 2.290 249 W HA -0.150 4.510 4.660 0.000 0.000 0.323 249 W C 0.866 177.341 176.519 -0.073 0.000 1.260 249 W CA 1.391 58.685 57.345 -0.085 0.000 1.266 249 W CB -1.192 28.216 29.460 -0.087 0.000 1.149 249 W HN 0.297 nan 8.180 nan 0.000 0.482 250 A N 1.158 123.331 122.820 -1.079 0.000 3.293 250 A HA 0.383 4.703 4.320 0.000 0.000 0.282 250 A C 0.094 177.307 177.584 -0.618 0.000 1.394 250 A CA 0.077 51.514 52.037 -1.000 0.000 1.118 250 A CB -0.435 17.456 19.000 -1.849 0.000 1.133 250 A HN 0.168 nan 8.150 nan 0.000 0.627 251 S N 1.284 116.773 115.700 -0.351 0.000 2.328 251 S HA 0.349 4.819 4.470 0.000 0.000 0.204 251 S C 0.871 175.395 174.600 -0.127 0.000 1.475 251 S CA -0.644 57.425 58.200 -0.217 0.000 1.148 251 S CB -0.553 62.538 63.200 -0.183 0.000 1.077 251 S HN 0.736 nan 8.310 nan 0.000 0.479 252 L N 2.891 124.055 121.223 -0.098 0.000 2.291 252 L HA 0.455 4.795 4.340 0.000 0.000 0.214 252 L C 1.355 178.214 176.870 -0.018 0.000 1.120 252 L CA 0.600 55.413 54.840 -0.045 0.000 0.799 252 L CB -1.637 40.412 42.059 -0.017 0.000 0.925 252 L HN 0.521 nan 8.230 nan 0.000 0.446 253 G N 2.420 111.211 108.800 -0.014 0.000 2.115 253 G HA2 -0.014 3.946 3.960 0.000 0.000 0.244 253 G HA3 -0.014 3.946 3.960 0.000 0.000 0.244 253 G C -0.060 174.837 174.900 -0.006 0.000 1.105 253 G CA 0.365 45.465 45.100 -0.000 0.000 0.893 253 G HN 0.624 nan 8.290 nan 0.000 0.443 254 D N 1.545 121.950 120.400 0.007 0.000 2.488 254 D HA 0.188 4.828 4.640 0.000 0.000 0.238 254 D C 0.322 176.621 176.300 -0.002 0.000 1.138 254 D CA 0.289 54.292 54.000 0.005 0.000 0.873 254 D CB 0.786 41.596 40.800 0.018 0.000 1.183 254 D HN 0.598 nan 8.370 nan 0.000 0.458 255 E N 0.474 120.667 120.200 -0.011 0.000 7.527 255 E HA 0.014 4.364 4.350 0.000 0.000 0.372 255 E C -0.710 175.864 176.600 -0.044 0.000 0.613 255 E CA 0.797 57.184 56.400 -0.022 0.000 1.157 255 E CB -0.974 28.718 29.700 -0.013 0.000 0.937 255 E HN 0.765 nan 8.360 nan 0.000 0.262 256 G N 3.059 111.827 108.800 -0.052 0.000 2.537 256 G HA2 0.411 4.371 3.960 0.000 0.000 0.273 256 G HA3 0.411 4.371 3.960 0.000 0.000 0.273 256 G C 0.485 175.324 174.900 -0.100 0.000 1.189 256 G CA 0.032 45.087 45.100 -0.074 0.000 0.881 256 G HN 0.446 nan 8.290 nan 0.000 0.535 257 R N -0.552 119.867 120.500 -0.135 0.000 2.280 257 R HA 0.278 4.618 4.340 0.000 0.000 0.195 257 R C 1.791 177.988 176.300 -0.173 0.000 0.935 257 R CA 1.513 57.500 56.100 -0.189 0.000 1.033 257 R CB -0.015 30.137 30.300 -0.247 0.000 0.964 257 R HN 1.074 nan 8.270 nan 0.000 0.489 258 G N -0.220 108.505 108.800 -0.125 0.000 2.850 258 G HA2 -0.243 3.717 3.960 0.000 0.000 0.207 258 G HA3 -0.243 3.717 3.960 0.000 0.000 0.207 258 G C -0.494 174.349 174.900 -0.096 0.000 1.302 258 G CA 0.035 45.075 45.100 -0.100 0.000 0.832 258 G HN 0.314 nan 8.290 nan 0.000 0.543 259 L N -1.126 120.022 121.223 -0.125 0.000 2.362 259 L HA 1.050 5.390 4.340 0.000 0.000 0.271 259 L C -0.460 176.334 176.870 -0.126 0.000 1.002 259 L CA -1.176 53.599 54.840 -0.109 0.000 0.818 259 L CB 1.879 43.875 42.059 -0.106 0.000 1.298 259 L HN 0.335 nan 8.230 nan 0.000 0.420 260 E N 0.781 120.924 120.200 -0.096 0.000 2.456 260 E HA 0.714 5.065 4.350 0.000 0.000 0.276 260 E C -1.689 174.873 176.600 -0.063 0.000 0.981 260 E CA -1.189 55.152 56.400 -0.099 0.000 0.814 260 E CB 3.131 32.777 29.700 -0.091 0.000 1.382 260 E HN 0.596 nan 8.360 nan 0.000 0.459 261 V N 1.657 121.540 119.914 -0.052 0.000 2.398 261 V HA 0.497 4.617 4.120 0.000 0.000 0.282 261 V C -1.721 174.348 176.094 -0.042 0.000 1.014 261 V CA -0.591 61.690 62.300 -0.031 0.000 0.838 261 V CB 0.861 32.694 31.823 0.016 0.000 1.018 261 V HN 0.542 nan 8.190 nan 0.000 0.432 262 R N 7.364 127.844 120.500 -0.035 0.000 2.312 262 R HA 0.491 4.831 4.340 0.000 0.000 0.310 262 R C -0.880 175.405 176.300 -0.026 0.000 1.064 262 R CA -0.799 55.277 56.100 -0.040 0.000 0.983 262 R CB 1.218 31.512 30.300 -0.011 0.000 1.139 262 R HN 0.567 nan 8.270 nan 0.000 0.536 263 L N 4.911 126.090 121.223 -0.073 0.000 2.416 263 L HA 0.283 4.623 4.340 0.000 0.000 0.272 263 L C -1.677 175.192 176.870 -0.001 0.000 1.161 263 L CA -1.354 53.463 54.840 -0.038 0.000 0.845 263 L CB 0.438 42.472 42.059 -0.041 0.000 1.119 263 L HN 0.225 nan 8.230 nan 0.000 0.464 264 P HA 0.266 nan 4.420 nan 0.000 0.284 264 P C -2.595 174.718 177.300 0.021 0.000 1.253 264 P CA -1.862 61.266 63.100 0.047 0.000 0.800 264 P CB 0.572 32.331 31.700 0.098 0.000 0.961 265 P HA -0.078 nan 4.420 nan 0.000 0.267 265 P C -1.902 175.397 177.300 -0.001 0.000 1.175 265 P CA -0.486 62.614 63.100 0.000 0.000 0.763 265 P CB -0.658 31.044 31.700 0.003 0.000 0.795 266 P HA -0.198 nan 4.420 nan 0.000 0.218 266 P C 1.563 178.838 177.300 -0.041 0.000 1.152 266 P CA 2.077 65.097 63.100 -0.132 0.000 0.857 266 P CB -0.512 31.049 31.700 -0.232 0.000 0.787 267 T N -0.946 113.637 114.554 0.048 0.000 2.778 267 T HA -0.129 4.221 4.350 0.000 0.000 0.269 267 T C 0.851 175.574 174.700 0.038 0.000 1.050 267 T CA 1.198 63.347 62.100 0.082 0.000 1.137 267 T CB -0.738 68.200 68.868 0.117 0.000 0.860 267 T HN 0.199 nan 8.240 nan 0.000 0.468 268 D N -0.185 120.232 120.400 0.029 0.000 2.398 268 D HA 0.204 4.844 4.640 0.000 0.000 0.264 268 D C 1.468 177.795 176.300 0.045 0.000 1.263 268 D CA -0.072 53.950 54.000 0.037 0.000 1.037 268 D CB 0.768 41.597 40.800 0.049 0.000 1.101 268 D HN 0.039 nan 8.370 nan 0.000 0.551 269 S N -0.803 114.943 115.700 0.077 0.000 2.317 269 S HA -0.086 4.384 4.470 0.000 0.000 0.212 269 S C 1.355 176.025 174.600 0.117 0.000 1.030 269 S CA 2.007 60.268 58.200 0.101 0.000 0.970 269 S CB -0.110 63.165 63.200 0.126 0.000 0.928 269 S HN 0.575 nan 8.310 nan 0.000 0.451 270 S N -1.554 114.254 115.700 0.180 0.000 1.409 270 S HA -0.226 4.244 4.470 0.000 0.000 0.248 270 S C 1.390 176.038 174.600 0.081 0.000 0.706 270 S CA 1.807 60.081 58.200 0.124 0.000 1.163 270 S CB -2.465 60.790 63.200 0.091 0.000 1.314 270 S HN 1.255 nan 8.310 nan 0.000 0.500 271 V N 1.893 121.903 119.914 0.160 0.000 2.527 271 V HA -0.223 3.897 4.120 0.000 0.000 0.255 271 V C 2.088 178.277 176.094 0.158 0.000 1.081 271 V CA 3.025 65.447 62.300 0.203 0.000 1.092 271 V CB -2.202 29.776 31.823 0.260 0.000 0.673 271 V HN 1.027 nan 8.190 nan 0.000 0.470 272 H N 1.242 120.399 119.070 0.144 0.000 2.489 272 H HA 0.165 4.721 4.556 0.000 0.000 0.295 272 H C 1.870 177.242 175.328 0.073 0.000 1.082 272 H CA 1.651 57.758 56.048 0.099 0.000 1.295 272 H CB -0.602 29.197 29.762 0.061 0.000 1.380 272 H HN 0.513 nan 8.280 nan 0.000 0.548 273 A N -0.270 122.097 122.820 -0.756 0.000 2.206 273 A HA 0.044 4.364 4.320 0.000 0.000 0.211 273 A C 0.824 178.143 177.584 -0.443 0.000 1.158 273 A CA 0.391 52.079 52.037 -0.583 0.000 0.761 273 A CB -0.515 18.099 19.000 -0.643 0.000 0.801 273 A HN 0.576 nan 8.150 nan 0.000 0.473 274 Y N -0.586 119.655 120.300 -0.098 0.000 2.481 274 Y HA 0.213 4.763 4.550 0.000 0.000 0.247 274 Y C 0.991 176.914 175.900 0.039 0.000 1.151 274 Y CA 0.019 58.103 58.100 -0.027 0.000 1.238 274 Y CB 0.594 39.036 38.460 -0.030 0.000 1.179 274 Y HN 0.126 nan 8.280 nan 0.000 0.524 275 K N 0.017 120.509 120.400 0.153 0.000 2.827 275 K HA 0.066 4.386 4.320 0.000 0.000 0.222 275 K C 1.419 178.081 176.600 0.103 0.000 1.114 275 K CA 0.216 56.591 56.287 0.146 0.000 1.206 275 K CB 0.178 32.762 32.500 0.141 0.000 1.035 275 K HN 0.038 nan 8.250 nan 0.000 0.464 276 T N -0.598 114.000 114.554 0.074 0.000 3.163 276 T HA 0.025 4.375 4.350 0.000 0.000 0.260 276 T C 0.437 175.184 174.700 0.078 0.000 1.156 276 T CA 0.303 62.438 62.100 0.058 0.000 1.072 276 T CB -0.023 68.856 68.868 0.020 0.000 0.937 276 T HN 0.037 nan 8.240 nan 0.000 0.528 277 V N 0.031 120.004 119.914 0.098 0.000 3.279 277 V HA 0.326 4.446 4.120 0.000 0.000 0.296 277 V C -0.940 175.230 176.094 0.126 0.000 1.470 277 V CA -1.141 61.220 62.300 0.102 0.000 1.065 277 V CB 1.825 33.704 31.823 0.093 0.000 1.124 277 V HN 0.117 nan 8.190 nan 0.000 0.461 278 L N 2.226 123.525 121.223 0.126 0.000 4.191 278 L HA -0.216 4.124 4.340 0.000 0.000 0.480 278 L C 0.838 177.852 176.870 0.240 0.000 1.095 278 L CA 1.885 56.825 54.840 0.167 0.000 0.747 278 L CB -2.082 40.074 42.059 0.161 0.000 1.700 278 L HN 0.780 nan 8.230 nan 0.000 0.835 279 S N -3.035 112.790 115.700 0.209 0.000 4.772 279 S HA 0.153 4.623 4.470 0.000 0.000 0.177 279 S C 1.388 176.079 174.600 0.152 0.000 1.117 279 S CA 0.030 58.337 58.200 0.178 0.000 1.250 279 S CB 0.157 63.431 63.200 0.123 0.000 1.749 279 S HN 0.402 nan 8.310 nan 0.000 0.589 280 R N 1.081 121.651 120.500 0.117 0.000 2.324 280 R HA -0.285 4.055 4.340 0.000 0.000 0.193 280 R C 0.976 177.331 176.300 0.092 0.000 0.998 280 R CA 2.332 58.489 56.100 0.095 0.000 0.222 280 R CB -1.458 28.894 30.300 0.086 0.000 0.607 280 R HN 0.517 nan 8.270 nan 0.000 0.227 281 G N -1.741 107.127 108.800 0.113 0.000 4.637 281 G HA2 0.318 4.278 3.960 0.000 0.000 0.308 281 G HA3 0.318 4.278 3.960 0.000 0.000 0.308 281 G C -0.190 174.818 174.900 0.180 0.000 1.377 281 G CA 0.146 45.312 45.100 0.109 0.000 1.176 281 G HN 0.627 nan 8.290 nan 0.000 0.601 282 Y N 0.366 120.679 120.300 0.022 0.000 3.032 282 Y HA 0.398 4.948 4.550 0.000 0.000 0.232 282 Y C 0.041 175.945 175.900 0.008 0.000 1.099 282 Y CA -0.802 57.306 58.100 0.014 0.000 1.328 282 Y CB 0.202 38.673 38.460 0.018 0.000 1.432 282 Y HN 0.112 nan 8.280 nan 0.000 0.433 283 I N 4.400 124.637 120.570 -0.556 0.000 2.312 283 I HA 0.189 4.359 4.170 0.000 0.000 0.291 283 I C -0.121 175.869 176.117 -0.211 0.000 1.031 283 I CA -0.222 60.741 61.300 -0.561 0.000 1.293 283 I CB 0.190 37.880 38.000 -0.517 0.000 1.403 283 I HN 0.455 nan 8.210 nan 0.000 0.484 284 D N 7.016 127.316 120.400 -0.167 0.000 2.478 284 D HA -0.132 4.508 4.640 0.000 0.000 0.234 284 D C 0.785 177.062 176.300 -0.039 0.000 1.154 284 D CA 0.178 54.130 54.000 -0.079 0.000 0.874 284 D CB 0.833 41.587 40.800 -0.077 0.000 1.198 284 D HN 0.630 nan 8.370 nan 0.000 0.455 285 N N 2.798 121.497 118.700 -0.002 0.000 2.139 285 N HA -0.332 4.408 4.740 0.000 0.000 0.193 285 N C 1.764 177.305 175.510 0.051 0.000 0.975 285 N CA 2.703 55.774 53.050 0.034 0.000 0.893 285 N CB -1.114 37.393 38.487 0.033 0.000 1.073 285 N HN 0.722 nan 8.380 nan 0.000 0.661 286 A N 1.436 124.277 122.820 0.035 0.000 1.957 286 A HA -0.273 4.047 4.320 0.000 0.000 0.224 286 A C 1.359 178.992 177.584 0.081 0.000 1.287 286 A CA 1.925 53.992 52.037 0.051 0.000 0.682 286 A CB -0.822 18.187 19.000 0.014 0.000 0.833 286 A HN 0.653 nan 8.150 nan 0.000 0.482 287 Q N -2.195 117.625 119.800 0.032 0.000 2.189 287 Q HA 0.597 4.937 4.340 0.000 0.000 0.193 287 Q C -0.458 175.623 176.000 0.134 0.000 1.034 287 Q CA -0.198 55.624 55.803 0.032 0.000 1.062 287 Q CB 0.563 29.223 28.738 -0.130 0.000 1.118 287 Q HN 0.739 nan 8.270 nan 0.000 0.569 288 F N -1.421 118.541 119.950 0.021 0.000 2.573 288 F HA 0.398 4.926 4.527 0.000 0.000 0.316 288 F C -0.931 174.878 175.800 0.016 0.000 1.148 288 F CA -1.341 56.682 58.000 0.039 0.000 0.940 288 F CB 1.067 40.103 39.000 0.060 0.000 1.214 288 F HN 0.352 nan 8.300 nan 0.000 0.448 289 N N 6.917 125.627 118.700 0.017 0.000 2.399 289 N HA 0.084 4.824 4.740 0.000 0.000 0.284 289 N C -1.547 173.968 175.510 0.009 0.000 1.283 289 N CA -1.416 51.599 53.050 -0.058 0.000 0.972 289 N CB 0.820 39.354 38.487 0.078 0.000 1.328 289 N HN 0.556 nan 8.380 nan 0.000 0.486 290 P HA -0.137 nan 4.420 nan 0.000 0.221 290 P C 1.580 178.954 177.300 0.125 0.000 1.150 290 P CA 0.343 63.434 63.100 -0.015 0.000 0.800 290 P CB 0.564 32.136 31.700 -0.213 0.000 0.787 291 L N 0.149 121.424 121.223 0.086 0.000 2.027 291 L HA -0.019 4.321 4.340 0.000 0.000 0.206 291 L C 2.111 179.094 176.870 0.187 0.000 1.074 291 L CA 1.907 56.834 54.840 0.144 0.000 0.745 291 L CB -1.930 40.217 42.059 0.146 0.000 0.898 291 L HN -0.036 nan 8.230 nan 0.000 0.433 292 A N -0.990 121.940 122.820 0.185 0.000 2.797 292 A HA 0.141 4.461 4.320 0.000 0.000 0.287 292 A C 1.685 179.375 177.584 0.176 0.000 1.369 292 A CA -0.172 51.969 52.037 0.174 0.000 0.968 292 A CB -0.464 18.640 19.000 0.173 0.000 1.069 292 A HN 0.269 nan 8.150 nan 0.000 0.571 293 L N 0.095 121.433 121.223 0.192 0.000 1.994 293 L HA -0.123 4.217 4.340 0.000 0.000 0.208 293 L C 2.446 179.378 176.870 0.103 0.000 1.071 293 L CA 2.336 57.288 54.840 0.186 0.000 0.745 293 L CB -0.408 41.778 42.059 0.212 0.000 0.892 293 L HN 0.593 nan 8.230 nan 0.000 0.431 294 R N -1.091 119.451 120.500 0.069 0.000 2.083 294 R HA -0.202 4.138 4.340 0.000 0.000 0.237 294 R C 2.493 178.807 176.300 0.025 0.000 1.137 294 R CA 1.669 57.780 56.100 0.019 0.000 0.951 294 R CB -0.616 29.692 30.300 0.012 0.000 0.851 294 R HN 0.501 nan 8.270 nan 0.000 0.434 295 S N 0.160 115.894 115.700 0.056 0.000 2.420 295 S HA -0.135 4.335 4.470 0.000 0.000 0.237 295 S C 1.404 176.037 174.600 0.056 0.000 1.023 295 S CA 1.609 59.842 58.200 0.055 0.000 0.991 295 S CB -0.229 63.017 63.200 0.076 0.000 0.792 295 S HN 0.479 nan 8.310 nan 0.000 0.488 296 N N 0.185 118.935 118.700 0.083 0.000 2.436 296 N HA 0.082 4.822 4.740 0.000 0.000 0.178 296 N C 1.582 177.129 175.510 0.062 0.000 1.026 296 N CA 1.128 54.239 53.050 0.101 0.000 0.880 296 N CB -0.240 38.368 38.487 0.200 0.000 1.061 296 N HN 0.279 nan 8.380 nan 0.000 0.434 297 V N 2.143 122.092 119.914 0.060 0.000 3.078 297 V HA -0.052 4.068 4.120 0.000 0.000 0.265 297 V C 2.116 178.044 176.094 -0.277 0.000 1.122 297 V CA 0.833 63.077 62.300 -0.095 0.000 1.141 297 V CB -0.352 31.334 31.823 -0.229 0.000 0.735 297 V HN 0.263 nan 8.190 nan 0.000 0.498 298 L N -0.921 120.214 121.223 -0.146 0.000 2.269 298 L HA 0.114 4.454 4.340 0.000 0.000 0.200 298 L C 2.177 179.001 176.870 -0.077 0.000 1.069 298 L CA 0.849 55.614 54.840 -0.126 0.000 0.804 298 L CB 0.062 42.081 42.059 -0.067 0.000 0.987 298 L HN 0.309 nan 8.230 nan 0.000 0.468 299 L N 0.336 121.534 121.223 -0.042 0.000 2.265 299 L HA -0.192 4.148 4.340 0.000 0.000 0.215 299 L C 2.207 179.052 176.870 -0.043 0.000 1.117 299 L CA 1.612 56.441 54.840 -0.019 0.000 0.782 299 L CB -0.409 41.657 42.059 0.011 0.000 0.914 299 L HN 0.370 nan 8.230 nan 0.000 0.441 300 M N -2.128 117.421 119.600 -0.086 0.000 2.486 300 M HA -0.006 4.474 4.480 0.000 0.000 0.264 300 M C 1.775 178.042 176.300 -0.055 0.000 1.125 300 M CA 1.324 56.557 55.300 -0.112 0.000 1.144 300 M CB -0.158 32.297 32.600 -0.243 0.000 1.353 300 M HN 0.286 nan 8.290 nan 0.000 0.466 301 L N 0.180 121.352 121.223 -0.085 0.000 2.179 301 L HA -0.121 4.219 4.340 0.000 0.000 0.208 301 L C 2.421 179.343 176.870 0.086 0.000 1.096 301 L CA 0.635 55.470 54.840 -0.008 0.000 0.779 301 L CB -0.561 41.408 42.059 -0.151 0.000 0.922 301 L HN 0.365 nan 8.230 nan 0.000 0.443 302 L N -0.150 121.081 121.223 0.014 0.000 2.046 302 L HA -0.279 4.061 4.340 0.000 0.000 0.208 302 L C 2.565 179.416 176.870 -0.033 0.000 1.077 302 L CA 1.407 56.248 54.840 0.003 0.000 0.747 302 L CB -0.072 41.980 42.059 -0.012 0.000 0.896 302 L HN 0.324 nan 8.230 nan 0.000 0.432 303 Q N -0.644 119.138 119.800 -0.031 0.000 2.135 303 Q HA -0.300 4.040 4.340 0.000 0.000 0.204 303 Q C 1.992 177.975 176.000 -0.028 0.000 0.981 303 Q CA 2.286 58.054 55.803 -0.059 0.000 0.856 303 Q CB -0.340 28.370 28.738 -0.047 0.000 0.902 303 Q HN 0.607 nan 8.270 nan 0.000 0.425 304 F N -0.150 119.756 119.950 -0.074 0.000 2.365 304 F HA -0.100 4.427 4.527 0.000 0.000 0.300 304 F C 1.620 177.399 175.800 -0.034 0.000 1.090 304 F CA 1.566 59.544 58.000 -0.038 0.000 1.408 304 F CB -0.065 38.969 39.000 0.057 0.000 1.060 304 F HN 0.023 nan 8.300 nan 0.000 0.534 305 T N 0.747 115.299 114.554 -0.003 0.000 2.755 305 T HA -0.066 4.284 4.350 0.000 0.000 0.251 305 T C 1.816 176.391 174.700 -0.209 0.000 1.044 305 T CA 1.085 63.142 62.100 -0.072 0.000 1.154 305 T CB -0.599 68.306 68.868 0.063 0.000 0.866 305 T HN 0.058 nan 8.240 nan 0.000 0.416 306 L N 2.422 123.509 121.223 -0.227 0.000 2.089 306 L HA -0.163 4.177 4.340 0.000 0.000 0.213 306 L C 2.757 179.411 176.870 -0.359 0.000 1.079 306 L CA 1.856 56.501 54.840 -0.326 0.000 0.758 306 L CB -1.337 40.474 42.059 -0.414 0.000 0.891 306 L HN 0.406 nan 8.230 nan 0.000 0.433 307 S N -1.429 114.077 115.700 -0.324 0.000 2.442 307 S HA -0.135 4.335 4.470 0.000 0.000 0.236 307 S C 1.534 175.929 174.600 -0.343 0.000 1.007 307 S CA 1.271 59.279 58.200 -0.319 0.000 0.965 307 S CB -0.549 62.476 63.200 -0.292 0.000 0.773 307 S HN 0.467 nan 8.310 nan 0.000 0.504 308 N N 0.700 119.173 118.700 -0.377 0.000 2.268 308 N HA 0.331 5.071 4.740 0.000 0.000 0.204 308 N C -0.258 175.079 175.510 -0.288 0.000 1.124 308 N CA 0.060 52.916 53.050 -0.323 0.000 0.838 308 N CB 0.013 38.291 38.487 -0.350 0.000 0.994 308 N HN 0.399 nan 8.380 nan 0.000 0.489 309 L N 0.998 121.979 121.223 -0.402 0.000 2.533 309 L HA 0.188 4.528 4.340 0.000 0.000 0.239 309 L C -0.089 176.350 176.870 -0.717 0.000 1.376 309 L CA 0.194 54.637 54.840 -0.663 0.000 1.240 309 L CB -0.537 41.056 42.059 -0.777 0.000 1.487 309 L HN -0.024 nan 8.230 nan 0.000 0.419 310 K N 0.751 120.963 120.400 -0.314 0.000 2.281 310 K HA 0.618 4.939 4.320 0.000 0.000 0.242 310 K C -0.531 176.173 176.600 0.174 0.000 0.971 310 K CA -0.913 55.327 56.287 -0.079 0.000 0.834 310 K CB 2.689 35.148 32.500 -0.067 0.000 1.181 310 K HN 0.064 nan 8.250 nan 0.000 0.435 311 I N 1.903 122.631 120.570 0.263 0.000 2.440 311 I HA 0.072 4.242 4.170 0.000 0.000 0.294 311 I C -0.066 176.199 176.117 0.246 0.000 0.995 311 I CA -0.711 60.772 61.300 0.306 0.000 1.306 311 I CB 0.868 39.050 38.000 0.304 0.000 1.407 311 I HN 0.422 nan 8.210 nan 0.000 0.501 312 N N 6.791 125.666 118.700 0.291 0.000 2.448 312 N HA 0.062 4.802 4.740 0.000 0.000 0.250 312 N C -0.234 175.393 175.510 0.196 0.000 1.136 312 N CA 0.057 53.228 53.050 0.202 0.000 0.953 312 N CB 0.603 39.189 38.487 0.165 0.000 1.251 312 N HN 0.486 nan 8.380 nan 0.000 0.502 313 K N 0.777 121.264 120.400 0.145 0.000 2.270 313 K HA 0.098 4.418 4.320 0.000 0.000 0.276 313 K C 0.229 176.865 176.600 0.059 0.000 1.023 313 K CA -0.240 56.114 56.287 0.113 0.000 0.955 313 K CB 0.748 33.311 32.500 0.106 0.000 0.975 313 K HN 0.241 nan 8.250 nan 0.000 0.471 314 S N 1.666 117.388 115.700 0.036 0.000 2.565 314 S HA 0.202 4.672 4.470 0.000 0.000 0.276 314 S C -0.429 174.206 174.600 0.058 0.000 1.326 314 S CA -0.586 57.650 58.200 0.061 0.000 1.045 314 S CB 0.764 63.980 63.200 0.026 0.000 0.918 314 S HN 0.631 nan 8.310 nan 0.000 0.505 315 S N 1.756 117.501 115.700 0.075 0.000 2.748 315 S HA 0.477 4.947 4.470 0.000 0.000 0.299 315 S C -0.102 174.513 174.600 0.025 0.000 1.119 315 S CA -0.717 57.443 58.200 -0.067 0.000 0.997 315 S CB 1.115 64.117 63.200 -0.330 0.000 1.223 315 S HN 0.823 nan 8.310 nan 0.000 0.541 316 T N 1.809 116.311 114.554 -0.088 0.000 2.875 316 T HA 0.417 4.767 4.350 0.000 0.000 0.307 316 T C -1.140 173.532 174.700 -0.046 0.000 1.013 316 T CA -0.517 61.583 62.100 0.000 0.000 0.970 316 T CB -1.319 67.531 68.868 -0.030 0.000 0.986 316 T HN 0.244 nan 8.240 nan 0.000 0.536 317 F N 4.793 124.685 119.950 -0.097 0.000 2.462 317 F HA 0.303 4.830 4.527 0.000 0.000 0.360 317 F C 1.583 177.339 175.800 -0.073 0.000 1.134 317 F CA -0.576 57.369 58.000 -0.093 0.000 1.148 317 F CB 0.306 39.252 39.000 -0.089 0.000 1.147 317 F HN 0.569 nan 8.300 nan 0.000 0.550 318 T N -0.293 114.280 114.554 0.031 0.000 2.943 318 T HA 0.566 4.916 4.350 0.000 0.000 0.284 318 T C 0.490 175.195 174.700 0.009 0.000 1.015 318 T CA -0.885 61.226 62.100 0.018 0.000 1.042 318 T CB 1.401 70.264 68.868 -0.009 0.000 1.055 318 T HN 0.356 nan 8.240 nan 0.000 0.500 319 S N 0.213 115.916 115.700 0.005 0.000 2.634 319 S HA 0.260 4.730 4.470 0.000 0.000 0.254 319 S C -0.232 174.358 174.600 -0.016 0.000 1.299 319 S CA -0.399 57.797 58.200 -0.006 0.000 0.974 319 S CB 0.063 63.260 63.200 -0.006 0.000 1.001 319 S HN 0.885 nan 8.310 nan 0.000 0.584 320 D N 0.320 120.708 120.400 -0.020 0.000 2.438 320 D HA 0.360 5.000 4.640 0.000 0.000 0.257 320 D C 0.595 176.887 176.300 -0.015 0.000 1.148 320 D CA -0.195 53.792 54.000 -0.022 0.000 0.902 320 D CB 0.638 41.418 40.800 -0.034 0.000 1.062 320 D HN 0.132 nan 8.370 nan 0.000 0.518 321 V N 1.339 121.247 119.914 -0.009 0.000 2.720 321 V HA -0.101 4.019 4.120 0.000 0.000 0.256 321 V C 1.551 177.641 176.094 -0.007 0.000 1.082 321 V CA 1.185 63.481 62.300 -0.007 0.000 1.101 321 V CB -0.648 31.173 31.823 -0.004 0.000 0.693 321 V HN 0.559 nan 8.190 nan 0.000 0.479 322 T N -1.044 113.505 114.554 -0.007 0.000 2.898 322 T HA 0.017 4.367 4.350 0.000 0.000 0.301 322 T C 1.322 176.015 174.700 -0.012 0.000 1.049 322 T CA 0.637 62.733 62.100 -0.007 0.000 1.095 322 T CB 1.327 70.193 68.868 -0.003 0.000 0.976 322 T HN 0.300 nan 8.240 nan 0.000 0.539 323 T N 3.370 117.916 114.554 -0.013 0.000 3.113 323 T HA 0.077 4.427 4.350 0.000 0.000 0.263 323 T C 1.906 176.593 174.700 -0.021 0.000 1.143 323 T CA 0.559 62.649 62.100 -0.017 0.000 1.090 323 T CB -0.535 68.323 68.868 -0.017 0.000 0.922 323 T HN 0.604 nan 8.240 nan 0.000 0.521 324 I N 1.308 121.866 120.570 -0.021 0.000 2.335 324 I HA -0.121 4.049 4.170 0.000 0.000 0.251 324 I C 2.319 178.420 176.117 -0.027 0.000 1.129 324 I CA 1.722 63.007 61.300 -0.025 0.000 1.402 324 I CB -0.192 37.797 38.000 -0.019 0.000 1.069 324 I HN 0.401 nan 8.210 nan 0.000 0.424 325 T N -3.255 111.283 114.554 -0.026 0.000 3.144 325 T HA 0.095 4.445 4.350 0.000 0.000 0.290 325 T C 0.690 175.374 174.700 -0.027 0.000 0.966 325 T CA 0.332 62.414 62.100 -0.030 0.000 0.907 325 T CB -0.191 68.651 68.868 -0.044 0.000 1.152 325 T HN 0.326 nan 8.240 nan 0.000 0.532 326 S N 0.179 115.865 115.700 -0.023 0.000 3.247 326 S HA 0.031 4.501 4.470 0.000 0.000 0.341 326 S C 1.625 176.214 174.600 -0.019 0.000 0.924 326 S CA 1.011 59.199 58.200 -0.019 0.000 1.323 326 S CB -2.163 61.026 63.200 -0.018 0.000 0.918 326 S HN 2.347 nan 8.310 nan 0.000 0.523 327 G N 1.778 110.567 108.800 -0.020 0.000 2.399 327 G HA2 -0.291 3.669 3.960 0.000 0.000 0.216 327 G HA3 -0.291 3.669 3.960 0.000 0.000 0.216 327 G C 0.350 175.237 174.900 -0.022 0.000 1.096 327 G CA 0.004 45.093 45.100 -0.018 0.000 0.650 327 G HN 0.895 nan 8.290 nan 0.000 0.512 328 R N -0.004 120.479 120.500 -0.028 0.000 2.591 328 R HA 0.007 4.347 4.340 0.000 0.000 0.286 328 R C 1.389 177.668 176.300 -0.035 0.000 0.975 328 R CA 0.584 56.663 56.100 -0.036 0.000 1.089 328 R CB -0.183 30.085 30.300 -0.053 0.000 0.921 328 R HN 0.343 nan 8.270 nan 0.000 0.437 329 M N 1.994 121.578 119.600 -0.026 0.000 2.626 329 M HA 0.136 4.616 4.480 0.000 0.000 0.262 329 M C 0.353 176.670 176.300 0.027 0.000 1.256 329 M CA -0.410 54.906 55.300 0.027 0.000 0.981 329 M CB -1.137 31.499 32.600 0.059 0.000 1.492 329 M HN 0.490 nan 8.290 nan 0.000 0.474 330 I N 0.138 120.607 120.570 -0.169 0.000 3.055 330 I HA -0.106 4.064 4.170 0.000 0.000 0.308 330 I C 0.491 176.430 176.117 -0.295 0.000 1.224 330 I CA 0.381 61.416 61.300 -0.441 0.000 1.443 330 I CB 0.426 38.140 38.000 -0.476 0.000 1.318 330 I HN 0.280 nan 8.210 nan 0.000 0.577 331 R N 5.941 126.205 120.500 -0.393 0.000 2.220 331 R HA 0.512 4.853 4.340 0.000 0.000 0.340 331 R C -0.186 175.857 176.300 -0.428 0.000 1.076 331 R CA -0.327 55.328 56.100 -0.741 0.000 0.920 331 R CB 0.511 30.036 30.300 -1.293 0.000 1.062 331 R HN 0.906 nan 8.270 nan 0.000 0.469 332 A N 4.698 127.341 122.820 -0.296 0.000 2.511 332 A HA 0.234 4.554 4.320 0.000 0.000 0.242 332 A C -0.643 176.818 177.584 -0.205 0.000 1.069 332 A CA 0.113 52.089 52.037 -0.102 0.000 0.763 332 A CB 0.130 19.096 19.000 -0.056 0.000 1.001 332 A HN 0.667 nan 8.150 nan 0.000 0.498 338 E N -0.510 119.676 120.200 -0.024 0.000 2.452 338 E HA 0.072 4.422 4.350 0.000 0.000 0.197 338 E C 1.621 178.155 176.600 -0.110 0.000 1.022 338 E CA -0.036 56.343 56.400 -0.035 0.000 0.890 338 E CB 0.212 29.903 29.700 -0.015 0.000 0.918 338 E HN 0.129 nan 8.360 nan 0.000 0.496 339 L N 1.294 122.386 121.223 -0.217 0.000 2.353 339 L HA -0.098 4.242 4.340 0.000 0.000 0.220 339 L C 1.911 178.378 176.870 -0.672 0.000 1.133 339 L CA 0.914 55.477 54.840 -0.461 0.000 0.798 339 L CB -0.512 41.168 42.059 -0.631 0.000 0.922 339 L HN 0.317 nan 8.230 nan 0.000 0.445 340 L N -0.235 120.748 121.223 -0.400 0.000 1.948 340 L HA -0.122 4.218 4.340 0.000 0.000 0.212 340 L C 2.575 179.423 176.870 -0.037 0.000 1.074 340 L CA 2.259 57.030 54.840 -0.115 0.000 0.753 340 L CB -1.217 40.943 42.059 0.168 0.000 0.888 340 L HN 0.193 nan 8.230 nan 0.000 0.432 341 A N -0.329 122.493 122.820 0.004 0.000 1.909 341 A HA -0.318 4.002 4.320 0.000 0.000 0.221 341 A C 2.256 179.853 177.584 0.021 0.000 1.223 341 A CA 2.684 54.742 52.037 0.035 0.000 0.658 341 A CB -1.409 17.608 19.000 0.028 0.000 0.831 341 A HN 0.527 nan 8.150 nan 0.000 0.462 342 L N -1.001 120.209 121.223 -0.023 0.000 2.191 342 L HA -0.073 4.267 4.340 0.000 0.000 0.212 342 L C 2.658 179.531 176.870 0.006 0.000 1.103 342 L CA 1.656 56.515 54.840 0.031 0.000 0.769 342 L CB -0.999 41.106 42.059 0.076 0.000 0.908 342 L HN 0.494 nan 8.230 nan 0.000 0.438 343 A N -1.369 121.352 122.820 -0.164 0.000 2.010 343 A HA -0.122 4.198 4.320 0.000 0.000 0.204 343 A C 0.097 177.595 177.584 -0.142 0.000 1.364 343 A CA 0.321 52.209 52.037 -0.249 0.000 0.622 343 A CB -1.209 17.503 19.000 -0.479 0.000 0.983 343 A HN 0.212 nan 8.150 nan 0.000 0.491 344 Y N 1.116 121.547 120.300 0.218 0.000 2.802 344 Y HA 0.148 4.698 4.550 0.000 0.000 0.351 344 Y C -1.688 174.263 175.900 0.085 0.000 1.237 344 Y CA -1.028 57.198 58.100 0.210 0.000 1.599 344 Y CB -0.384 38.183 38.460 0.178 0.000 1.214 344 Y HN 0.329 nan 8.280 nan 0.000 0.520 345 P HA -0.028 nan 4.420 nan 0.000 0.224 345 P C 1.710 178.964 177.300 -0.077 0.000 1.157 345 P CA 1.243 64.318 63.100 -0.041 0.000 0.799 345 P CB 0.423 32.017 31.700 -0.177 0.000 0.809 346 G N 0.720 109.486 108.800 -0.056 0.000 2.442 346 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 346 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 346 G C 1.543 176.430 174.900 -0.020 0.000 1.141 346 G CA 0.293 45.357 45.100 -0.060 0.000 0.763 346 G HN 0.231 nan 8.290 nan 0.000 0.554 347 R N 0.917 121.447 120.500 0.050 0.000 2.369 347 R HA 0.208 4.548 4.340 0.000 0.000 0.200 347 R C 1.153 177.454 176.300 0.002 0.000 1.046 347 R CA 0.037 56.156 56.100 0.032 0.000 1.057 347 R CB -0.235 30.111 30.300 0.076 0.000 0.888 347 R HN 0.340 nan 8.270 nan 0.000 0.474 348 A N 0.878 123.683 122.820 -0.025 0.000 2.477 348 A HA 0.207 4.527 4.320 0.000 0.000 0.246 348 A C 0.160 177.701 177.584 -0.072 0.000 1.078 348 A CA -0.212 51.798 52.037 -0.045 0.000 0.770 348 A CB 0.620 19.581 19.000 -0.065 0.000 1.011 348 A HN 0.039 nan 8.150 nan 0.000 0.494 349 V N 4.096 123.962 119.914 -0.079 0.000 2.364 349 V HA 0.239 4.359 4.120 0.000 0.000 0.272 349 V C -0.626 175.364 176.094 -0.173 0.000 1.036 349 V CA -0.291 61.939 62.300 -0.117 0.000 0.880 349 V CB 0.690 32.447 31.823 -0.110 0.000 0.991 349 V HN 0.633 nan 8.190 nan 0.000 0.460 350 L N 8.502 129.615 121.223 -0.183 0.000 2.264 350 L HA 0.455 4.795 4.340 0.000 0.000 0.287 350 L C -1.289 175.409 176.870 -0.286 0.000 1.039 350 L CA -1.062 53.649 54.840 -0.216 0.000 0.829 350 L CB 0.664 42.621 42.059 -0.170 0.000 1.211 350 L HN 0.414 nan 8.230 nan 0.000 0.427 351 P HA 0.045 nan 4.420 nan 0.000 0.216 351 P C 0.191 177.234 177.300 -0.429 0.000 1.156 351 P CA 0.565 63.378 63.100 -0.479 0.000 0.855 351 P CB 0.304 31.502 31.700 -0.836 0.000 0.786 352 T N -3.510 110.750 114.554 -0.489 0.000 2.924 352 T HA 0.351 4.701 4.350 0.000 0.000 0.291 352 T C -0.056 174.467 174.700 -0.295 0.000 1.045 352 T CA -0.762 61.029 62.100 -0.515 0.000 1.015 352 T CB 1.512 69.750 68.868 -1.049 0.000 1.103 352 T HN -0.319 nan 8.240 nan 0.000 0.496 353 Q N 1.738 121.416 119.800 -0.203 0.000 2.683 353 Q HA 0.192 4.532 4.340 0.000 0.000 0.199 353 Q C -0.075 175.901 176.000 -0.041 0.000 1.057 353 Q CA 0.297 56.039 55.803 -0.101 0.000 0.959 353 Q CB -1.484 27.216 28.738 -0.064 0.000 1.683 353 Q HN 0.757 nan 8.270 nan 0.000 0.423 354 T N 0.722 115.251 114.554 -0.043 0.000 2.907 354 T HA 0.036 4.386 4.350 0.000 0.000 0.298 354 T C 1.146 175.859 174.700 0.023 0.000 1.017 354 T CA -0.475 61.644 62.100 0.032 0.000 1.118 354 T CB 1.071 69.966 68.868 0.047 0.000 0.948 354 T HN 0.496 nan 8.240 nan 0.000 0.531 355 K N 2.620 123.043 120.400 0.038 0.000 2.184 355 K HA -0.308 4.012 4.320 0.000 0.000 0.210 355 K C 1.751 178.362 176.600 0.018 0.000 1.048 355 K CA 1.848 58.146 56.287 0.018 0.000 0.931 355 K CB 0.008 32.513 32.500 0.008 0.000 0.718 355 K HN 0.432 nan 8.250 nan 0.000 0.465 356 N N 0.218 118.937 118.700 0.033 0.000 2.051 356 N HA -0.144 4.596 4.740 0.000 0.000 0.192 356 N C 1.750 177.281 175.510 0.034 0.000 1.049 356 N CA 1.541 54.624 53.050 0.055 0.000 0.845 356 N CB -0.707 37.818 38.487 0.064 0.000 1.031 356 N HN 0.290 nan 8.380 nan 0.000 0.425 357 A N 0.987 123.798 122.820 -0.015 0.000 2.093 357 A HA -0.253 4.067 4.320 0.000 0.000 0.222 357 A C 2.191 179.739 177.584 -0.060 0.000 1.162 357 A CA 1.842 53.839 52.037 -0.067 0.000 0.655 357 A CB -0.652 18.293 19.000 -0.092 0.000 0.805 357 A HN 0.351 nan 8.150 nan 0.000 0.461 358 Q N -1.190 118.600 119.800 -0.016 0.000 2.050 358 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 358 Q C 1.644 177.653 176.000 0.016 0.000 0.980 358 Q CA 2.223 58.023 55.803 -0.005 0.000 0.840 358 Q CB -0.457 28.288 28.738 0.011 0.000 0.898 358 Q HN 0.665 nan 8.270 nan 0.000 0.424 359 F N -0.115 119.750 119.950 -0.141 0.000 2.059 359 F HA 0.002 4.529 4.527 0.000 0.000 0.289 359 F C 1.669 177.353 175.800 -0.195 0.000 1.128 359 F CA 1.236 59.126 58.000 -0.183 0.000 1.181 359 F CB -0.754 38.093 39.000 -0.255 0.000 1.012 359 F HN 0.094 nan 8.300 nan 0.000 0.473 360 L N 0.247 121.124 121.223 -0.577 0.000 2.085 360 L HA -0.367 3.973 4.340 0.000 0.000 0.218 360 L C 2.743 179.336 176.870 -0.461 0.000 1.080 360 L CA 1.784 56.223 54.840 -0.668 0.000 0.776 360 L CB -1.499 40.358 42.059 -0.336 0.000 0.891 360 L HN 0.434 nan 8.230 nan 0.000 0.437 361 S N -0.587 114.941 115.700 -0.286 0.000 2.408 361 S HA -0.322 4.148 4.470 0.000 0.000 0.241 361 S C 1.932 176.402 174.600 -0.218 0.000 1.080 361 S CA 2.467 60.545 58.200 -0.203 0.000 1.109 361 S CB -0.377 62.739 63.200 -0.139 0.000 0.966 361 S HN 0.519 nan 8.310 nan 0.000 0.449 362 T N 2.433 116.824 114.554 -0.272 0.000 2.652 362 T HA 0.094 4.444 4.350 0.000 0.000 0.267 362 T C 1.045 175.611 174.700 -0.224 0.000 1.039 362 T CA 1.028 62.993 62.100 -0.224 0.000 1.153 362 T CB -1.095 67.644 68.868 -0.213 0.000 0.863 362 T HN 0.878 nan 8.240 nan 0.000 0.428 363 A N 2.439 125.054 122.820 -0.343 0.000 2.355 363 A HA -0.115 4.205 4.320 0.000 0.000 0.309 363 A C 0.396 177.911 177.584 -0.115 0.000 0.864 363 A CA 0.116 52.002 52.037 -0.251 0.000 1.274 363 A CB -0.789 18.034 19.000 -0.295 0.000 0.690 363 A HN 0.434 nan 8.150 nan 0.000 0.335 364 I N 3.282 123.825 120.570 -0.045 0.000 2.671 364 I HA -0.025 4.145 4.170 0.000 0.000 0.285 364 I C 1.799 177.924 176.117 0.013 0.000 1.148 364 I CA 0.954 62.255 61.300 0.002 0.000 1.386 364 I CB -0.843 37.189 38.000 0.054 0.000 1.406 364 I HN 0.856 nan 8.210 nan 0.000 0.540 365 A N 6.957 129.774 122.820 -0.006 0.000 1.906 365 A HA -0.284 4.036 4.320 0.000 0.000 0.222 365 A C 1.701 179.298 177.584 0.022 0.000 1.282 365 A CA 2.524 54.559 52.037 -0.003 0.000 0.675 365 A CB -1.008 17.985 19.000 -0.012 0.000 0.838 365 A HN 0.817 nan 8.150 nan 0.000 0.469 366 D N -1.808 118.611 120.400 0.031 0.000 2.378 366 D HA -0.035 4.605 4.640 0.000 0.000 0.227 366 D C 1.478 177.823 176.300 0.074 0.000 1.012 366 D CA 0.845 54.869 54.000 0.040 0.000 0.905 366 D CB -0.194 40.626 40.800 0.034 0.000 0.895 366 D HN 0.384 nan 8.370 nan 0.000 0.532 367 R N 0.013 120.580 120.500 0.112 0.000 2.404 367 R HA 0.346 4.686 4.340 0.000 0.000 0.236 367 R C 0.404 176.850 176.300 0.244 0.000 1.044 367 R CA -0.125 56.085 56.100 0.182 0.000 1.133 367 R CB -0.558 29.884 30.300 0.237 0.000 1.142 367 R HN 0.400 nan 8.270 nan 0.000 0.512 368 I N -1.959 118.712 120.570 0.169 0.000 4.575 368 I HA 0.346 4.516 4.170 0.000 0.000 0.212 368 I C 1.188 177.357 176.117 0.086 0.000 1.552 368 I CA 0.160 61.570 61.300 0.183 0.000 1.147 368 I CB -0.108 37.917 38.000 0.042 0.000 1.680 368 I HN 0.380 nan 8.210 nan 0.000 0.682 369 G N 1.150 109.852 108.800 -0.163 0.000 2.514 369 G HA2 -0.354 3.606 3.960 0.000 0.000 0.799 369 G HA3 -0.354 3.606 3.960 0.000 0.000 0.799 369 G C 0.015 175.003 174.900 0.146 0.000 1.372 369 G CA 1.135 46.155 45.100 -0.133 0.000 0.906 369 G HN 0.948 nan 8.290 nan 0.000 0.525 370 R N -2.010 118.582 120.500 0.154 0.000 2.719 370 R HA 0.807 5.147 4.340 0.000 0.000 0.233 370 R C 0.516 176.772 176.300 -0.074 0.000 1.257 370 R CA -0.369 55.742 56.100 0.018 0.000 1.109 370 R CB 0.401 30.480 30.300 -0.368 0.000 1.447 370 R HN 0.417 nan 8.270 nan 0.000 0.537 371 L N -2.074 119.054 121.223 -0.157 0.000 2.932 371 L HA 0.356 4.696 4.340 0.000 0.000 0.168 371 L C -0.477 176.303 176.870 -0.150 0.000 1.125 371 L CA 0.491 55.254 54.840 -0.128 0.000 0.868 371 L CB 0.195 42.183 42.059 -0.119 0.000 1.496 371 L HN 0.661 nan 8.230 nan 0.000 0.519 372 D N 1.148 121.436 120.400 -0.188 0.000 2.434 372 D HA 0.200 4.840 4.640 0.000 0.000 0.275 372 D C -0.314 175.889 176.300 -0.161 0.000 1.172 372 D CA -0.213 53.700 54.000 -0.145 0.000 0.916 372 D CB 0.996 41.743 40.800 -0.089 0.000 1.041 372 D HN -0.011 nan 8.370 nan 0.000 0.501 373 R N 1.310 121.693 120.500 -0.196 0.000 2.402 373 R HA 0.270 4.610 4.340 0.000 0.000 0.331 373 R C -0.329 175.904 176.300 -0.112 0.000 1.040 373 R CA -0.137 55.844 56.100 -0.198 0.000 0.980 373 R CB 0.189 30.355 30.300 -0.223 0.000 0.967 373 R HN 0.212 nan 8.270 nan 0.000 0.440 374 A N 6.319 129.092 122.820 -0.079 0.000 2.478 374 A HA 0.178 4.498 4.320 0.000 0.000 0.327 374 A C -0.737 176.823 177.584 -0.041 0.000 1.431 374 A CA -0.884 51.129 52.037 -0.039 0.000 1.014 374 A CB -0.078 18.920 19.000 -0.003 0.000 1.143 374 A HN 0.893 nan 8.150 nan 0.000 0.532 375 N N 2.420 121.095 118.700 -0.042 0.000 2.361 375 N HA 0.532 5.272 4.740 0.000 0.000 0.302 375 N C -0.385 175.112 175.510 -0.021 0.000 1.074 375 N CA -0.677 52.352 53.050 -0.035 0.000 0.850 375 N CB 1.472 39.933 38.487 -0.043 0.000 1.228 375 N HN 0.148 nan 8.380 nan 0.000 0.491 376 L N 0.619 121.833 121.223 -0.014 0.000 2.738 376 L HA 0.375 4.715 4.340 0.000 0.000 0.178 376 L C 0.777 177.643 176.870 -0.007 0.000 1.281 376 L CA 0.359 55.195 54.840 -0.007 0.000 0.864 376 L CB -0.736 41.323 42.059 0.000 0.000 1.224 376 L HN 0.533 nan 8.230 nan 0.000 0.520 377 I N 1.993 122.560 120.570 -0.005 0.000 2.664 377 I HA 0.080 4.250 4.170 0.000 0.000 0.284 377 I C 0.907 177.019 176.117 -0.008 0.000 1.154 377 I CA 0.168 61.465 61.300 -0.004 0.000 1.402 377 I CB -0.699 37.300 38.000 -0.001 0.000 1.395 377 I HN 0.242 nan 8.210 nan 0.000 0.545 378 G N 4.522 113.318 108.800 -0.007 0.000 2.346 378 G HA2 0.382 4.342 3.960 0.000 0.000 0.275 378 G HA3 0.382 4.342 3.960 0.000 0.000 0.275 378 G C 0.940 175.835 174.900 -0.008 0.000 1.190 378 G CA 0.361 45.455 45.100 -0.009 0.000 1.015 378 G HN 1.160 nan 8.290 nan 0.000 0.441 379 G N 1.729 110.523 108.800 -0.010 0.000 2.231 379 G HA2 -0.203 3.757 3.960 0.000 0.000 0.206 379 G HA3 -0.203 3.757 3.960 0.000 0.000 0.206 379 G C 0.290 175.185 174.900 -0.008 0.000 0.996 379 G CA 0.323 45.418 45.100 -0.008 0.000 0.645 379 G HN 0.971 nan 8.290 nan 0.000 0.498 380 E N 0.286 120.481 120.200 -0.009 0.000 2.232 380 E HA 0.645 4.995 4.350 0.000 0.000 0.265 380 E C 0.588 177.179 176.600 -0.016 0.000 1.001 380 E CA -0.453 55.941 56.400 -0.010 0.000 0.870 380 E CB 1.973 31.669 29.700 -0.007 0.000 1.175 380 E HN 0.578 nan 8.360 nan 0.000 0.407 381 V N 2.812 122.716 119.914 -0.018 0.000 2.763 381 V HA 0.036 4.156 4.120 0.000 0.000 0.306 381 V C 0.094 176.168 176.094 -0.035 0.000 1.059 381 V CA 0.440 62.725 62.300 -0.025 0.000 1.138 381 V CB 1.204 33.011 31.823 -0.026 0.000 0.940 381 V HN 0.792 nan 8.190 nan 0.000 0.489 382 S N 4.838 120.511 115.700 -0.045 0.000 2.552 382 S HA 0.284 4.754 4.470 0.000 0.000 0.289 382 S C 1.225 175.783 174.600 -0.069 0.000 1.304 382 S CA 0.163 58.327 58.200 -0.060 0.000 1.063 382 S CB 1.001 64.149 63.200 -0.087 0.000 0.848 382 S HN 1.289 nan 8.310 nan 0.000 0.499 383 A N 5.110 127.895 122.820 -0.060 0.000 1.835 383 A HA 0.114 4.434 4.320 0.000 0.000 0.215 383 A C 0.987 178.504 177.584 -0.112 0.000 1.199 383 A CA 1.559 53.558 52.037 -0.063 0.000 0.615 383 A CB -0.475 18.515 19.000 -0.017 0.000 0.838 383 A HN 1.042 nan 8.150 nan 0.000 0.444 384 M N -0.820 118.722 119.600 -0.097 0.000 2.183 384 M HA 0.613 5.093 4.480 0.000 0.000 0.277 384 M C -0.768 175.447 176.300 -0.142 0.000 0.995 384 M CA -0.975 54.232 55.300 -0.154 0.000 0.969 384 M CB 1.865 34.393 32.600 -0.121 0.000 1.659 384 M HN 0.208 nan 8.290 nan 0.000 0.462 385 V N -0.649 119.132 119.914 -0.222 0.000 3.036 385 V HA 0.668 4.788 4.120 0.000 0.000 0.308 385 V C -0.298 175.605 176.094 -0.319 0.000 1.070 385 V CA -0.220 61.888 62.300 -0.320 0.000 1.056 385 V CB 1.669 33.159 31.823 -0.555 0.000 1.084 385 V HN 1.030 nan 8.190 nan 0.000 0.471 386 E N 0.942 120.910 120.200 -0.386 0.000 2.256 386 E HA 0.622 4.972 4.350 0.000 0.000 0.268 386 E C -1.488 174.912 176.600 -0.333 0.000 0.877 386 E CA -0.437 55.682 56.400 -0.469 0.000 0.757 386 E CB 2.032 31.312 29.700 -0.700 0.000 1.183 386 E HN 1.210 nan 8.360 nan 0.000 0.418 387 C N 2.570 121.743 119.300 -0.213 0.000 3.171 387 C HA 0.601 5.061 4.460 0.000 0.000 0.336 387 C C -0.254 174.732 174.990 -0.007 0.000 1.198 387 C CA -1.149 57.850 59.018 -0.032 0.000 1.319 387 C CB 0.590 28.469 27.740 0.231 0.000 1.682 387 C HN 0.685 nan 8.230 nan 0.000 0.497 388 M N 2.810 122.421 119.600 0.019 0.000 2.216 388 M HA 0.603 5.083 4.480 0.000 0.000 0.356 388 M C -0.176 176.115 176.300 -0.015 0.000 1.205 388 M CA 0.568 55.801 55.300 -0.112 0.000 1.122 388 M CB 0.787 33.318 32.600 -0.115 0.000 1.571 388 M HN 0.993 nan 8.290 nan 0.000 0.464 389 E N 2.362 122.402 120.200 -0.267 0.000 2.649 389 E HA 0.241 4.591 4.350 0.000 0.000 0.308 389 E C -1.317 175.248 176.600 -0.059 0.000 1.017 389 E CA -0.928 55.421 56.400 -0.084 0.000 0.848 389 E CB 1.039 30.720 29.700 -0.032 0.000 1.240 389 E HN 0.751 nan 8.360 nan 0.000 0.421 390 L N 3.226 124.649 121.223 0.333 0.000 2.848 390 L HA -0.037 4.303 4.340 0.000 0.000 0.286 390 L C -0.704 176.272 176.870 0.175 0.000 1.150 390 L CA 0.799 55.906 54.840 0.445 0.000 0.958 390 L CB -0.378 41.924 42.059 0.405 0.000 1.322 390 L HN 0.830 nan 8.230 nan 0.000 0.469 391 C N 3.908 123.290 119.300 0.136 0.000 3.094 391 C HA 0.323 4.783 4.460 0.000 0.000 0.414 391 C C -0.726 174.322 174.990 0.098 0.000 0.993 391 C CA -1.007 58.075 59.018 0.108 0.000 1.217 391 C CB 0.851 28.627 27.740 0.061 0.000 1.603 391 C HN 0.864 nan 8.230 nan 0.000 0.564 392 D N 3.279 123.771 120.400 0.153 0.000 2.390 392 D HA 0.302 4.942 4.640 0.000 0.000 0.249 392 D C 1.334 177.713 176.300 0.133 0.000 1.144 392 D CA 0.355 54.426 54.000 0.119 0.000 0.880 392 D CB 1.803 42.731 40.800 0.213 0.000 1.182 392 D HN 1.080 nan 8.370 nan 0.000 0.451 393 A N 2.988 125.853 122.820 0.076 0.000 2.054 393 A HA -0.249 4.071 4.320 0.000 0.000 0.223 393 A C 1.927 179.617 177.584 0.177 0.000 1.169 393 A CA 1.430 53.532 52.037 0.109 0.000 0.655 393 A CB -0.561 18.480 19.000 0.067 0.000 0.812 393 A HN 0.624 nan 8.150 nan 0.000 0.462 394 L N -1.147 120.193 121.223 0.195 0.000 2.007 394 L HA -0.038 4.302 4.340 0.000 0.000 0.205 394 L C 2.538 179.638 176.870 0.385 0.000 1.073 394 L CA 2.753 57.772 54.840 0.298 0.000 0.744 394 L CB -1.079 41.184 42.059 0.341 0.000 0.898 394 L HN 0.305 nan 8.230 nan 0.000 0.435 395 T N 0.176 114.970 114.554 0.401 0.000 2.684 395 T HA -0.222 4.128 4.350 0.000 0.000 0.267 395 T C 1.818 176.645 174.700 0.211 0.000 1.036 395 T CA 1.880 64.149 62.100 0.282 0.000 1.148 395 T CB -0.481 68.518 68.868 0.218 0.000 0.863 395 T HN 0.291 nan 8.240 nan 0.000 0.436 396 L N 0.816 122.162 121.223 0.206 0.000 1.978 396 L HA -0.209 4.131 4.340 0.000 0.000 0.218 396 L C 2.220 179.208 176.870 0.196 0.000 1.075 396 L CA 2.497 57.444 54.840 0.177 0.000 0.767 396 L CB -1.039 41.117 42.059 0.162 0.000 0.890 396 L HN 0.424 nan 8.230 nan 0.000 0.434 397 H N -0.657 118.508 119.070 0.158 0.000 2.252 397 H HA -0.240 4.316 4.556 0.000 0.000 0.292 397 H C 2.134 177.562 175.328 0.167 0.000 1.082 397 H CA 2.929 59.073 56.048 0.159 0.000 1.229 397 H CB -0.396 29.459 29.762 0.156 0.000 1.353 397 H HN 0.457 nan 8.280 nan 0.000 0.488 398 I N -0.223 120.470 120.570 0.204 0.000 2.091 398 I HA -0.311 3.859 4.170 0.000 0.000 0.239 398 I C 2.676 178.839 176.117 0.076 0.000 1.061 398 I CA 1.793 63.173 61.300 0.134 0.000 1.317 398 I CB -0.396 37.702 38.000 0.164 0.000 1.031 398 I HN 0.200 nan 8.210 nan 0.000 0.401 399 R N 0.558 121.115 120.500 0.096 0.000 2.261 399 R HA -0.210 4.130 4.340 0.000 0.000 0.236 399 R C 1.765 178.179 176.300 0.190 0.000 1.141 399 R CA 1.403 57.581 56.100 0.129 0.000 1.001 399 R CB -0.119 30.251 30.300 0.117 0.000 0.866 399 R HN 0.346 nan 8.270 nan 0.000 0.468 400 E N -2.591 117.682 120.200 0.120 0.000 2.511 400 E HA 0.061 4.411 4.350 0.000 0.000 0.209 400 E C 0.603 177.217 176.600 0.023 0.000 0.986 400 E CA 0.248 56.720 56.400 0.119 0.000 0.974 400 E CB 0.804 30.586 29.700 0.138 0.000 1.030 400 E HN 0.067 nan 8.360 nan 0.000 0.490 401 T N -0.512 114.019 114.554 -0.038 0.000 3.188 401 T HA 0.003 4.353 4.350 0.000 0.000 0.250 401 T C 0.483 175.213 174.700 0.050 0.000 1.077 401 T CA 0.175 62.249 62.100 -0.044 0.000 0.967 401 T CB -0.111 68.692 68.868 -0.107 0.000 1.006 401 T HN 0.238 nan 8.240 nan 0.000 0.552 402 Y N 0.148 120.406 120.300 -0.071 0.000 2.539 402 Y HA 0.325 4.875 4.550 0.000 0.000 0.284 402 Y C 1.442 177.267 175.900 -0.125 0.000 1.134 402 Y CA -0.166 57.891 58.100 -0.071 0.000 1.251 402 Y CB -0.190 38.260 38.460 -0.017 0.000 1.260 402 Y HN 0.170 nan 8.280 nan 0.000 0.528 403 I N 0.247 120.682 120.570 -0.224 0.000 2.286 403 I HA -0.264 3.906 4.170 0.000 0.000 0.248 403 I C 2.408 178.319 176.117 -0.343 0.000 1.115 403 I CA 1.406 62.498 61.300 -0.345 0.000 1.392 403 I CB -0.725 37.156 38.000 -0.199 0.000 1.065 403 I HN 0.262 nan 8.210 nan 0.000 0.418 404 M N -0.274 119.181 119.600 -0.243 0.000 2.202 404 M HA -0.193 4.287 4.480 0.000 0.000 0.262 404 M C 1.985 177.982 176.300 -0.504 0.000 1.063 404 M CA 1.717 56.866 55.300 -0.251 0.000 1.097 404 M CB -0.455 32.071 32.600 -0.122 0.000 1.382 404 M HN 0.269 nan 8.290 nan 0.000 0.413 405 L N -0.674 120.149 121.223 -0.667 0.000 2.023 405 L HA -0.050 4.290 4.340 0.000 0.000 0.205 405 L C 1.875 178.495 176.870 -0.416 0.000 1.073 405 L CA 1.597 56.014 54.840 -0.704 0.000 0.745 405 L CB -1.043 40.789 42.059 -0.378 0.000 0.900 405 L HN 0.264 nan 8.230 nan 0.000 0.435 406 L N 0.031 120.947 121.223 -0.511 0.000 2.263 406 L HA -0.168 4.172 4.340 0.000 0.000 0.216 406 L C 2.651 179.307 176.870 -0.356 0.000 1.111 406 L CA 1.387 55.946 54.840 -0.468 0.000 0.773 406 L CB -0.970 40.705 42.059 -0.639 0.000 0.906 406 L HN 0.301 nan 8.230 nan 0.000 0.439 407 R N -1.786 118.521 120.500 -0.321 0.000 2.062 407 R HA 0.030 4.370 4.340 0.000 0.000 0.226 407 R C 2.276 178.529 176.300 -0.077 0.000 1.125 407 R CA 1.161 57.145 56.100 -0.193 0.000 0.966 407 R CB -1.090 29.106 30.300 -0.174 0.000 0.861 407 R HN 0.290 nan 8.270 nan 0.000 0.433 408 S N 1.381 117.034 115.700 -0.078 0.000 2.559 408 S HA -0.114 4.356 4.470 0.000 0.000 0.250 408 S C 1.268 175.879 174.600 0.018 0.000 0.977 408 S CA 1.100 59.314 58.200 0.023 0.000 0.958 408 S CB -0.152 63.133 63.200 0.140 0.000 0.751 408 S HN 0.406 nan 8.310 nan 0.000 0.534 409 M N -0.035 119.554 119.600 -0.018 0.000 3.731 409 M HA 0.473 4.953 4.480 0.000 0.000 0.442 409 M C -0.671 175.641 176.300 0.020 0.000 1.776 409 M CA -0.748 54.559 55.300 0.010 0.000 0.646 409 M CB 0.491 33.075 32.600 -0.027 0.000 1.439 409 M HN 0.170 nan 8.290 nan 0.000 0.523 410 H N 0.228 119.261 119.070 -0.062 0.000 2.894 410 H HA 0.759 5.315 4.556 0.000 0.000 0.368 410 H C -1.627 173.712 175.328 0.019 0.000 1.181 410 H CA -0.002 55.993 56.048 -0.088 0.000 1.146 410 H CB 1.766 31.397 29.762 -0.218 0.000 1.839 410 H HN 0.428 nan 8.280 nan 0.000 0.557 411 Q N 2.341 121.498 119.800 -1.072 0.000 2.280 411 Q HA 0.196 4.536 4.340 0.000 0.000 0.259 411 Q C -1.200 174.388 176.000 -0.687 0.000 0.964 411 Q CA -0.717 54.661 55.803 -0.707 0.000 0.844 411 Q CB 1.921 30.407 28.738 -0.419 0.000 1.334 411 Q HN 0.987 nan 8.270 nan 0.000 0.423 412 D N 1.376 121.522 120.400 -0.423 0.000 2.341 412 D HA -0.028 4.612 4.640 0.000 0.000 0.235 412 D C -1.638 174.639 176.300 -0.039 0.000 1.265 412 D CA -0.635 53.292 54.000 -0.121 0.000 0.888 412 D CB 0.673 41.443 40.800 -0.050 0.000 1.192 412 D HN 0.101 nan 8.370 nan 0.000 0.462 413 P HA -0.209 nan 4.420 nan 0.000 0.213 413 P C 1.501 178.836 177.300 0.058 0.000 1.170 413 P CA 2.386 65.542 63.100 0.092 0.000 0.898 413 P CB -0.373 31.389 31.700 0.105 0.000 0.787 414 T N -3.237 111.333 114.554 0.027 0.000 2.946 414 T HA -0.213 4.137 4.350 0.000 0.000 0.270 414 T C 1.655 176.344 174.700 -0.018 0.000 1.129 414 T CA 1.172 63.278 62.100 0.009 0.000 1.103 414 T CB -0.569 68.297 68.868 -0.003 0.000 0.839 414 T HN 0.016 nan 8.240 nan 0.000 0.544 415 Q N 1.358 121.132 119.800 -0.043 0.000 2.103 415 Q HA 0.272 4.612 4.340 0.000 0.000 0.193 415 Q C 2.682 178.636 176.000 -0.076 0.000 0.986 415 Q CA 1.259 56.998 55.803 -0.106 0.000 0.834 415 Q CB -0.712 27.908 28.738 -0.196 0.000 0.915 415 Q HN 0.776 nan 8.270 nan 0.000 0.483 416 I N -0.894 119.663 120.570 -0.021 0.000 2.707 416 I HA -0.208 3.962 4.170 0.000 0.000 0.266 416 I C 2.075 178.327 176.117 0.226 0.000 1.215 416 I CA 0.886 62.298 61.300 0.187 0.000 1.442 416 I CB -0.595 37.703 38.000 0.496 0.000 1.108 416 I HN -0.063 nan 8.210 nan 0.000 0.464 417 V N 1.195 121.178 119.914 0.116 0.000 2.379 417 V HA -0.199 3.921 4.120 0.000 0.000 0.243 417 V C 2.579 178.695 176.094 0.038 0.000 1.035 417 V CA 1.766 64.119 62.300 0.089 0.000 1.035 417 V CB -0.089 31.769 31.823 0.059 0.000 0.673 417 V HN 0.525 nan 8.190 nan 0.000 0.457 418 Q N -0.337 119.463 119.800 -0.000 0.000 2.046 418 Q HA -0.154 4.186 4.340 0.000 0.000 0.200 418 Q C 2.236 178.216 176.000 -0.034 0.000 0.975 418 Q CA 2.121 57.904 55.803 -0.034 0.000 0.836 418 Q CB -0.241 28.464 28.738 -0.054 0.000 0.896 418 Q HN 0.582 nan 8.270 nan 0.000 0.428 419 I N 0.339 120.893 120.570 -0.027 0.000 2.236 419 I HA -0.321 3.849 4.170 0.000 0.000 0.249 419 I C 2.154 178.331 176.117 0.100 0.000 1.102 419 I CA 1.079 62.382 61.300 0.004 0.000 1.365 419 I CB -0.200 37.767 38.000 -0.055 0.000 1.051 419 I HN 0.092 nan 8.210 nan 0.000 0.420 420 V N 0.674 120.659 119.914 0.117 0.000 2.346 420 V HA -0.196 3.924 4.120 0.000 0.000 0.244 420 V C 2.073 178.066 176.094 -0.168 0.000 1.037 420 V CA 1.549 63.872 62.300 0.040 0.000 1.029 420 V CB -0.665 31.194 31.823 0.060 0.000 0.663 420 V HN 0.414 nan 8.190 nan 0.000 0.454 421 N N 0.712 119.336 118.700 -0.127 0.000 1.997 421 N HA -0.229 4.511 4.740 0.000 0.000 0.198 421 N C 1.759 177.146 175.510 -0.206 0.000 1.063 421 N CA 1.951 54.898 53.050 -0.171 0.000 0.860 421 N CB -0.662 37.766 38.487 -0.098 0.000 1.063 421 N HN 0.534 nan 8.380 nan 0.000 0.424 422 E N 0.234 120.353 120.200 -0.136 0.000 2.164 422 E HA -0.237 4.113 4.350 0.000 0.000 0.206 422 E C 2.061 178.565 176.600 -0.160 0.000 1.032 422 E CA 1.297 57.619 56.400 -0.129 0.000 0.832 422 E CB -0.320 29.320 29.700 -0.101 0.000 0.742 422 E HN 0.341 nan 8.360 nan 0.000 0.460 423 C N -0.216 118.992 119.300 -0.154 0.000 2.409 423 C HA -0.084 4.376 4.460 0.000 0.000 0.284 423 C C 2.202 177.021 174.990 -0.285 0.000 1.354 423 C CA 1.023 59.987 59.018 -0.089 0.000 1.787 423 C CB -0.779 27.039 27.740 0.131 0.000 1.900 423 C HN 0.470 nan 8.230 nan 0.000 0.520 424 A N -0.557 121.882 122.820 -0.635 0.000 2.564 424 A HA 0.289 4.609 4.320 0.000 0.000 0.279 424 A C 0.425 177.815 177.584 -0.323 0.000 1.232 424 A CA -0.170 51.443 52.037 -0.706 0.000 0.950 424 A CB -0.472 17.871 19.000 -1.095 0.000 1.138 424 A HN 0.728 nan 8.150 nan 0.000 0.526 425 N N 0.930 119.490 118.700 -0.234 0.000 2.708 425 N HA -0.249 4.491 4.740 0.000 0.000 0.255 425 N C -0.055 175.403 175.510 -0.087 0.000 1.046 425 N CA 0.390 53.362 53.050 -0.130 0.000 0.715 425 N CB -0.986 37.448 38.487 -0.090 0.000 0.895 425 N HN 0.572 nan 8.380 nan 0.000 0.545 426 N N -2.129 116.503 118.700 -0.113 0.000 2.886 426 N HA -0.242 4.498 4.740 0.000 0.000 0.229 426 N C 0.274 175.751 175.510 -0.054 0.000 0.847 426 N CA 2.094 55.097 53.050 -0.079 0.000 1.132 426 N CB -0.977 37.484 38.487 -0.042 0.000 1.018 426 N HN 0.660 nan 8.380 nan 0.000 0.624 427 L N -1.555 119.655 121.223 -0.022 0.000 2.452 427 L HA 0.634 4.974 4.340 0.000 0.000 0.267 427 L C 0.757 177.617 176.870 -0.015 0.000 1.188 427 L CA -0.539 54.319 54.840 0.030 0.000 0.821 427 L CB 0.583 42.717 42.059 0.124 0.000 1.102 427 L HN 0.209 nan 8.230 nan 0.000 0.470 428 L N 2.859 124.081 121.223 -0.002 0.000 1.347 428 L HA -0.110 4.230 4.340 0.000 0.000 0.622 428 L C -0.787 176.044 176.870 -0.065 0.000 1.009 428 L CA 0.489 55.306 54.840 -0.038 0.000 1.309 428 L CB -1.240 40.759 42.059 -0.099 0.000 2.163 428 L HN 1.269 nan 8.230 nan 0.000 1.060 429 N N 2.546 121.215 118.700 -0.051 0.000 2.406 429 N HA 0.378 5.118 4.740 0.000 0.000 0.265 429 N C -0.009 175.443 175.510 -0.097 0.000 1.203 429 N CA 0.204 53.220 53.050 -0.057 0.000 0.945 429 N CB 0.755 39.219 38.487 -0.039 0.000 1.165 429 N HN 0.662 nan 8.380 nan 0.000 0.485 430 S N 1.602 117.257 115.700 -0.075 0.000 2.557 430 S HA 0.479 4.949 4.470 0.000 0.000 0.291 430 S C -0.681 173.914 174.600 -0.008 0.000 1.116 430 S CA -0.779 57.376 58.200 -0.075 0.000 0.992 430 S CB 1.902 65.062 63.200 -0.066 0.000 1.028 430 S HN 0.443 nan 8.310 nan 0.000 0.484 431 T N 4.097 118.676 114.554 0.042 0.000 2.861 431 T HA 0.541 4.891 4.350 0.000 0.000 0.287 431 T C -0.489 174.285 174.700 0.123 0.000 1.003 431 T CA -0.687 61.468 62.100 0.092 0.000 0.977 431 T CB 1.331 70.277 68.868 0.130 0.000 0.996 431 T HN 0.838 nan 8.240 nan 0.000 0.448 432 I N 2.972 123.598 120.570 0.094 0.000 2.392 432 I HA 0.596 4.766 4.170 0.000 0.000 0.295 432 I C -2.822 173.343 176.117 0.079 0.000 0.985 432 I CA -2.763 58.594 61.300 0.096 0.000 1.221 432 I CB 1.410 39.460 38.000 0.083 0.000 1.366 432 I HN 0.365 nan 8.210 nan 0.000 0.467 433 P HA 0.439 nan 4.420 nan 0.000 0.287 433 P C -0.411 176.917 177.300 0.046 0.000 1.307 433 P CA -0.262 62.871 63.100 0.055 0.000 0.777 433 P CB 0.502 32.231 31.700 0.048 0.000 0.883 434 I N 3.277 123.869 120.570 0.037 0.000 2.460 434 I HA 0.107 4.277 4.170 0.000 0.000 0.297 434 I C 0.255 176.388 176.117 0.026 0.000 1.139 434 I CA 0.702 62.020 61.300 0.030 0.000 1.340 434 I CB -0.663 37.351 38.000 0.024 0.000 1.444 434 I HN 0.415 nan 8.210 nan 0.000 0.557 435 S N 6.196 121.912 115.700 0.028 0.000 2.556 435 S HA 0.350 4.820 4.470 0.000 0.000 0.280 435 S C -0.581 174.035 174.600 0.027 0.000 1.141 435 S CA -1.251 56.963 58.200 0.024 0.000 0.883 435 S CB 1.090 64.303 63.200 0.022 0.000 1.103 435 S HN 0.569 nan 8.310 nan 0.000 0.453 436 L N 1.097 122.333 121.223 0.022 0.000 2.615 436 L HA 0.459 4.799 4.340 0.000 0.000 0.271 436 L C -0.111 176.775 176.870 0.027 0.000 1.183 436 L CA -0.206 54.648 54.840 0.024 0.000 0.933 436 L CB -0.165 41.905 42.059 0.018 0.000 1.199 436 L HN 0.675 nan 8.230 nan 0.000 0.487 437 R N 5.062 125.583 120.500 0.034 0.000 2.369 437 R HA 0.285 4.625 4.340 0.000 0.000 0.310 437 R C -1.590 174.730 176.300 0.033 0.000 1.141 437 R CA -1.561 54.561 56.100 0.037 0.000 1.116 437 R CB 0.678 31.009 30.300 0.051 0.000 1.135 437 R HN 0.626 nan 8.270 nan 0.000 0.529 438 P HA -0.313 nan 4.420 nan 0.000 0.224 438 P C 0.084 177.403 177.300 0.032 0.000 0.837 438 P CA 1.945 65.058 63.100 0.021 0.000 1.060 438 P CB 0.093 31.800 31.700 0.011 0.000 0.717 439 T N -3.754 110.821 114.554 0.034 0.000 3.012 439 T HA 0.652 5.002 4.350 0.000 0.000 0.330 439 T C -0.616 174.097 174.700 0.021 0.000 1.321 439 T CA -0.852 61.281 62.100 0.056 0.000 1.067 439 T CB 1.430 70.373 68.868 0.125 0.000 1.235 439 T HN 0.271 nan 8.240 nan 0.000 0.479 440 I N 0.617 121.162 120.570 -0.041 0.000 2.605 440 I HA 0.432 4.602 4.170 0.000 0.000 0.276 440 I C -1.095 174.813 176.117 -0.349 0.000 1.161 440 I CA -0.974 60.260 61.300 -0.110 0.000 1.064 440 I CB 1.170 39.164 38.000 -0.009 0.000 1.238 440 I HN 0.668 nan 8.210 nan 0.000 0.487 441 L N 7.015 127.945 121.223 -0.489 0.000 2.312 441 L HA 0.471 4.811 4.340 0.000 0.000 0.287 441 L C -0.052 176.503 176.870 -0.525 0.000 1.091 441 L CA -0.286 54.054 54.840 -0.833 0.000 0.846 441 L CB 0.331 41.675 42.059 -1.190 0.000 1.219 441 L HN 0.954 nan 8.230 nan 0.000 0.439 442 C N 3.485 122.420 119.300 -0.609 0.000 2.647 442 C HA 0.436 4.896 4.460 0.000 0.000 0.273 442 C C -2.012 172.383 174.990 -0.990 0.000 1.088 442 C CA -2.282 56.172 59.018 -0.940 0.000 1.529 442 C CB 0.108 26.959 27.740 -1.481 0.000 1.810 442 C HN 0.594 nan 8.230 nan 0.000 0.422 443 P HA 0.042 nan 4.420 nan 0.000 0.252 443 P C 0.132 177.161 177.300 -0.452 0.000 1.694 443 P CA 0.584 63.407 63.100 -0.462 0.000 1.163 443 P CB -0.078 31.419 31.700 -0.338 0.000 1.934 444 W N 0.649 121.630 121.300 -0.532 0.000 2.993 444 W HA 0.240 4.900 4.660 0.000 0.000 0.290 444 W C 0.238 176.094 176.519 -1.106 0.000 1.203 444 W CA -0.020 56.778 57.345 -0.912 0.000 1.582 444 W CB -0.375 28.166 29.460 -1.532 0.000 1.033 444 W HN 0.061 nan 8.180 nan 0.000 0.594 445 F N 0.694 120.594 119.950 -0.084 0.000 2.450 445 F HA 0.655 5.182 4.527 0.000 0.000 0.332 445 F C 0.460 176.230 175.800 -0.051 0.000 1.093 445 F CA -1.467 56.480 58.000 -0.088 0.000 1.003 445 F CB 0.828 39.745 39.000 -0.139 0.000 1.151 445 F HN -0.304 nan 8.300 nan 0.000 0.474 446 A N 1.321 124.235 122.820 0.157 0.000 2.355 446 A HA 0.690 5.010 4.320 0.000 0.000 0.324 446 A C -0.059 177.575 177.584 0.083 0.000 1.117 446 A CA -0.611 51.477 52.037 0.085 0.000 0.785 446 A CB 0.880 19.910 19.000 0.050 0.000 1.254 446 A HN 0.862 nan 8.150 nan 0.000 0.453 447 S N 0.907 116.637 115.700 0.049 0.000 2.592 447 S HA 0.077 4.547 4.470 0.000 0.000 0.256 447 S C 1.349 175.963 174.600 0.024 0.000 1.369 447 S CA 0.544 58.760 58.200 0.027 0.000 0.984 447 S CB 0.602 63.810 63.200 0.014 0.000 0.919 447 S HN 1.398 nan 8.310 nan 0.000 0.576 448 S N -0.103 115.602 115.700 0.009 0.000 2.402 448 S HA -0.113 4.357 4.470 0.000 0.000 0.229 448 S C 1.759 176.365 174.600 0.009 0.000 1.021 448 S CA 1.394 59.599 58.200 0.008 0.000 0.974 448 S CB -0.751 62.446 63.200 -0.006 0.000 0.800 448 S HN 0.775 nan 8.310 nan 0.000 0.484 449 E N 1.550 121.752 120.200 0.004 0.000 2.072 449 E HA -0.063 4.287 4.350 0.000 0.000 0.190 449 E C 1.452 178.051 176.600 -0.002 0.000 0.982 449 E CA 1.466 57.866 56.400 0.001 0.000 0.803 449 E CB -0.479 29.220 29.700 -0.001 0.000 0.755 449 E HN 0.469 nan 8.360 nan 0.000 0.453 450 D N -0.108 120.294 120.400 0.003 0.000 2.182 450 D HA -0.144 4.496 4.640 0.000 0.000 0.201 450 D C 1.947 178.243 176.300 -0.007 0.000 0.986 450 D CA 0.612 54.611 54.000 -0.002 0.000 0.847 450 D CB -0.146 40.660 40.800 0.009 0.000 0.942 450 D HN 0.224 nan 8.370 nan 0.000 0.467 451 L N 0.227 121.454 121.223 0.007 0.000 1.973 451 L HA -0.111 4.229 4.340 0.000 0.000 0.208 451 L C 2.566 179.436 176.870 -0.000 0.000 1.073 451 L CA 1.181 56.028 54.840 0.012 0.000 0.746 451 L CB -0.186 41.893 42.059 0.034 0.000 0.891 451 L HN -0.073 nan 8.230 nan 0.000 0.433 452 R N -0.307 120.194 120.500 0.002 0.000 2.117 452 R HA -0.232 4.108 4.340 0.000 0.000 0.243 452 R C 2.104 178.383 176.300 -0.035 0.000 1.143 452 R CA 1.376 57.473 56.100 -0.005 0.000 0.968 452 R CB -0.618 29.678 30.300 -0.007 0.000 0.863 452 R HN 0.211 nan 8.270 nan 0.000 0.444 453 L N 1.078 122.268 121.223 -0.055 0.000 2.353 453 L HA -0.164 4.176 4.340 0.000 0.000 0.220 453 L C 2.050 178.830 176.870 -0.150 0.000 1.133 453 L CA 1.669 56.437 54.840 -0.119 0.000 0.798 453 L CB -0.203 41.788 42.059 -0.112 0.000 0.922 453 L HN 0.181 nan 8.230 nan 0.000 0.445 454 Q N -1.723 118.026 119.800 -0.085 0.000 2.350 454 Q HA -0.082 4.258 4.340 0.000 0.000 0.225 454 Q C 1.830 177.817 176.000 -0.021 0.000 0.878 454 Q CA 0.185 55.947 55.803 -0.068 0.000 0.935 454 Q CB 0.357 29.066 28.738 -0.048 0.000 1.099 454 Q HN 0.512 nan 8.270 nan 0.000 0.527 455 Q N 0.239 120.029 119.800 -0.017 0.000 2.083 455 Q HA -0.021 4.319 4.340 0.000 0.000 0.198 455 Q C 1.884 177.880 176.000 -0.007 0.000 0.969 455 Q CA 1.488 57.290 55.803 -0.002 0.000 0.838 455 Q CB -0.231 28.522 28.738 0.025 0.000 0.900 455 Q HN 0.213 nan 8.270 nan 0.000 0.436 456 V N 0.462 120.365 119.914 -0.018 0.000 2.379 456 V HA -0.214 3.906 4.120 0.000 0.000 0.245 456 V C 2.272 178.340 176.094 -0.042 0.000 1.044 456 V CA 1.725 64.018 62.300 -0.013 0.000 1.036 456 V CB -0.553 31.264 31.823 -0.010 0.000 0.664 456 V HN 0.426 nan 8.190 nan 0.000 0.453 457 M N -0.135 119.410 119.600 -0.091 0.000 2.144 457 M HA -0.232 4.248 4.480 0.000 0.000 0.260 457 M C 2.105 178.363 176.300 -0.070 0.000 1.067 457 M CA 1.945 57.168 55.300 -0.129 0.000 1.095 457 M CB -0.919 31.578 32.600 -0.171 0.000 1.365 457 M HN 0.499 nan 8.290 nan 0.000 0.406 458 H N -0.495 118.512 119.070 -0.104 0.000 2.470 458 H HA 0.042 4.598 4.556 0.000 0.000 0.289 458 H C 1.637 176.915 175.328 -0.084 0.000 1.033 458 H CA 1.203 57.197 56.048 -0.091 0.000 1.331 458 H CB -0.000 29.706 29.762 -0.093 0.000 1.414 458 H HN 0.438 nan 8.280 nan 0.000 0.545 459 L N 0.298 121.533 121.223 0.020 0.000 2.492 459 L HA -0.043 4.297 4.340 0.000 0.000 0.223 459 L C 2.311 179.238 176.870 0.094 0.000 1.132 459 L CA 0.017 54.894 54.840 0.060 0.000 0.850 459 L CB 0.213 42.311 42.059 0.064 0.000 0.966 459 L HN 0.088 nan 8.230 nan 0.000 0.454 460 V N -0.427 119.470 119.914 -0.028 0.000 2.446 460 V HA -0.145 3.975 4.120 0.000 0.000 0.244 460 V C 1.959 178.002 176.094 -0.084 0.000 1.039 460 V CA 1.368 63.627 62.300 -0.069 0.000 1.045 460 V CB -0.481 31.273 31.823 -0.116 0.000 0.681 460 V HN 0.469 nan 8.190 nan 0.000 0.459 461 N N 0.162 118.782 118.700 -0.134 0.000 2.270 461 N HA -0.003 4.737 4.740 0.000 0.000 0.181 461 N C 0.682 176.122 175.510 -0.116 0.000 1.016 461 N CA 0.477 53.445 53.050 -0.136 0.000 0.870 461 N CB -0.430 37.945 38.487 -0.187 0.000 0.979 461 N HN 0.426 nan 8.380 nan 0.000 0.431 462 I N 1.760 122.245 120.570 -0.143 0.000 2.668 462 I HA -0.088 4.082 4.170 0.000 0.000 0.285 462 I C -0.252 175.892 176.117 0.045 0.000 1.168 462 I CA 0.010 61.271 61.300 -0.066 0.000 1.424 462 I CB 0.154 38.124 38.000 -0.050 0.000 1.377 462 I HN -0.029 nan 8.210 nan 0.000 0.560 463 S N 5.936 121.660 115.700 0.039 0.000 2.465 463 S HA 0.031 4.501 4.470 0.000 0.000 0.280 463 S C 1.486 176.166 174.600 0.133 0.000 1.232 463 S CA -0.275 57.967 58.200 0.069 0.000 1.066 463 S CB 0.684 63.911 63.200 0.045 0.000 0.929 463 S HN 0.777 nan 8.310 nan 0.000 0.494 464 S N 3.079 118.881 115.700 0.170 0.000 2.461 464 S HA -0.181 4.289 4.470 0.000 0.000 0.249 464 S C 1.000 175.722 174.600 0.204 0.000 1.012 464 S CA 1.156 59.516 58.200 0.267 0.000 0.982 464 S CB -0.685 62.592 63.200 0.128 0.000 0.764 464 S HN 0.957 nan 8.310 nan 0.000 0.506 465 N N 0.459 119.236 118.700 0.128 0.000 2.416 465 N HA 0.014 4.754 4.740 0.000 0.000 0.246 465 N C 0.743 176.310 175.510 0.096 0.000 1.260 465 N CA 0.485 53.595 53.050 0.100 0.000 0.897 465 N CB 0.044 38.573 38.487 0.070 0.000 1.110 465 N HN -0.130 nan 8.380 nan 0.000 0.439 466 T N 0.047 114.652 114.554 0.085 0.000 2.897 466 T HA -0.150 4.200 4.350 0.000 0.000 0.271 466 T C 1.584 176.316 174.700 0.053 0.000 1.084 466 T CA 1.498 63.642 62.100 0.075 0.000 1.123 466 T CB -0.627 68.284 68.868 0.072 0.000 0.865 466 T HN 0.672 nan 8.240 nan 0.000 0.496 467 A N 0.476 123.325 122.820 0.047 0.000 1.929 467 A HA 0.357 4.678 4.320 0.000 0.000 0.216 467 A C 2.567 180.164 177.584 0.022 0.000 1.176 467 A CA 1.571 53.628 52.037 0.033 0.000 0.628 467 A CB -0.910 18.109 19.000 0.032 0.000 0.816 467 A HN 0.600 nan 8.150 nan 0.000 0.444 468 A N -0.821 122.014 122.820 0.026 0.000 2.119 468 A HA 0.430 4.750 4.320 0.000 0.000 0.216 468 A C 2.039 179.613 177.584 -0.016 0.000 1.152 468 A CA 1.304 53.346 52.037 0.008 0.000 0.708 468 A CB -0.432 18.579 19.000 0.019 0.000 0.805 468 A HN 0.931 nan 8.150 nan 0.000 0.460 469 A N -1.270 121.544 122.820 -0.010 0.000 2.308 469 A HA 0.386 4.706 4.320 0.000 0.000 0.217 469 A C 1.664 179.226 177.584 -0.038 0.000 1.216 469 A CA 0.441 52.449 52.037 -0.048 0.000 0.864 469 A CB -0.209 18.780 19.000 -0.019 0.000 0.902 469 A HN 0.403 nan 8.150 nan 0.000 0.499 470 L N 0.149 121.366 121.223 -0.010 0.000 2.179 470 L HA 0.167 4.507 4.340 0.000 0.000 0.208 470 L C -1.648 175.214 176.870 -0.013 0.000 1.096 470 L CA 1.512 56.353 54.840 0.002 0.000 0.779 470 L CB -0.566 41.504 42.059 0.018 0.000 0.922 470 L HN 0.090 nan 8.230 nan 0.000 0.443 471 P HA 0.119 nan 4.420 nan 0.000 0.249 471 P C 0.773 178.027 177.300 -0.076 0.000 1.583 471 P CA 0.358 63.438 63.100 -0.033 0.000 0.988 471 P CB 0.520 32.207 31.700 -0.022 0.000 1.530 472 L N -1.987 119.161 121.223 -0.124 0.000 2.653 472 L HA 0.195 4.535 4.340 0.000 0.000 0.230 472 L C 1.772 178.485 176.870 -0.261 0.000 1.055 472 L CA 0.883 55.548 54.840 -0.293 0.000 0.880 472 L CB -0.149 41.660 42.059 -0.418 0.000 1.195 472 L HN -0.233 nan 8.230 nan 0.000 0.492 473 V N -0.449 119.427 119.914 -0.063 0.000 2.436 473 V HA -0.093 4.027 4.120 0.000 0.000 0.240 473 V C 2.285 178.431 176.094 0.086 0.000 1.040 473 V CA 1.499 63.862 62.300 0.104 0.000 1.052 473 V CB 0.132 32.022 31.823 0.111 0.000 0.707 473 V HN 0.505 nan 8.190 nan 0.000 0.469 474 E N 0.432 120.658 120.200 0.043 0.000 2.267 474 E HA -0.222 4.128 4.350 0.000 0.000 0.197 474 E C 2.000 178.617 176.600 0.028 0.000 0.998 474 E CA 1.377 57.800 56.400 0.040 0.000 0.830 474 E CB -0.027 29.689 29.700 0.026 0.000 0.751 474 E HN 0.574 nan 8.360 nan 0.000 0.491 475 A N 1.381 124.210 122.820 0.016 0.000 1.897 475 A HA -0.083 4.237 4.320 0.000 0.000 0.215 475 A C 2.178 179.783 177.584 0.036 0.000 1.181 475 A CA 0.680 52.722 52.037 0.008 0.000 0.620 475 A CB -0.444 18.544 19.000 -0.020 0.000 0.821 475 A HN 0.406 nan 8.150 nan 0.000 0.443 476 L N -0.542 120.738 121.223 0.096 0.000 2.313 476 L HA -0.006 4.334 4.340 0.000 0.000 0.214 476 L C 2.080 178.998 176.870 0.080 0.000 1.119 476 L CA 1.413 56.329 54.840 0.126 0.000 0.809 476 L CB -0.291 41.927 42.059 0.265 0.000 0.933 476 L HN 0.355 nan 8.230 nan 0.000 0.449 477 S N -0.968 114.774 115.700 0.070 0.000 2.406 477 S HA -0.086 4.384 4.470 0.000 0.000 0.224 477 S C 1.769 176.343 174.600 -0.044 0.000 1.030 477 S CA 1.267 59.496 58.200 0.049 0.000 0.958 477 S CB 0.198 63.458 63.200 0.100 0.000 0.811 477 S HN 0.444 nan 8.310 nan 0.000 0.489 478 T N 2.410 116.947 114.554 -0.028 0.000 2.867 478 T HA 0.034 4.384 4.350 0.000 0.000 0.268 478 T C 1.575 176.223 174.700 -0.086 0.000 1.057 478 T CA 0.818 62.882 62.100 -0.061 0.000 1.136 478 T CB -0.192 68.657 68.868 -0.032 0.000 0.874 478 T HN 0.100 nan 8.240 nan 0.000 0.466 479 L N 0.646 121.837 121.223 -0.054 0.000 2.072 479 L HA 0.092 4.432 4.340 0.000 0.000 0.205 479 L C 2.226 179.057 176.870 -0.065 0.000 1.079 479 L CA 0.972 55.785 54.840 -0.045 0.000 0.752 479 L CB -0.795 41.255 42.059 -0.016 0.000 0.906 479 L HN 0.196 nan 8.230 nan 0.000 0.436 480 L N -0.310 120.866 121.223 -0.078 0.000 2.013 480 L HA -0.276 4.064 4.340 0.000 0.000 0.212 480 L C 2.740 179.402 176.870 -0.346 0.000 1.073 480 L CA 1.873 56.648 54.840 -0.108 0.000 0.753 480 L CB -0.880 41.157 42.059 -0.036 0.000 0.890 480 L HN 0.327 nan 8.230 nan 0.000 0.432 481 R N -1.116 119.044 120.500 -0.566 0.000 2.066 481 R HA -0.141 4.199 4.340 0.000 0.000 0.232 481 R C 2.385 178.515 176.300 -0.283 0.000 1.131 481 R CA 1.385 57.087 56.100 -0.663 0.000 0.955 481 R CB -0.445 29.448 30.300 -0.678 0.000 0.851 481 R HN 0.388 nan 8.270 nan 0.000 0.432 482 S N 0.705 116.298 115.700 -0.178 0.000 2.414 482 S HA -0.174 4.296 4.470 0.000 0.000 0.241 482 S C 0.907 175.479 174.600 -0.048 0.000 1.079 482 S CA 1.664 59.810 58.200 -0.089 0.000 1.087 482 S CB -0.337 62.828 63.200 -0.057 0.000 0.927 482 S HN 0.224 nan 8.310 nan 0.000 0.456 483 V N -0.990 118.914 119.914 -0.017 0.000 2.380 483 V HA 0.796 4.917 4.120 0.000 0.000 0.286 483 V C -0.587 175.621 176.094 0.191 0.000 1.015 483 V CA 0.249 62.590 62.300 0.067 0.000 0.834 483 V CB 0.996 32.832 31.823 0.022 0.000 1.009 483 V HN 0.315 nan 8.190 nan 0.000 0.428 484 T N 6.311 121.038 114.554 0.289 0.000 4.045 484 T HA 0.432 4.782 4.350 0.000 0.000 0.399 484 T C -2.879 171.868 174.700 0.078 0.000 1.270 484 T CA -0.065 62.225 62.100 0.315 0.000 1.126 484 T CB 2.334 71.314 68.868 0.187 0.000 1.272 484 T HN 0.644 nan 8.240 nan 0.000 0.472 485 P HA 0.253 nan 4.420 nan 0.000 0.259 485 P C -0.140 177.071 177.300 -0.148 0.000 1.480 485 P CA -0.181 62.638 63.100 -0.467 0.000 0.842 485 P CB -0.191 31.101 31.700 -0.680 0.000 1.513 486 L N 0.424 121.604 121.223 -0.073 0.000 2.337 486 L HA 0.314 4.654 4.340 0.000 0.000 0.269 486 L C -0.555 176.296 176.870 -0.032 0.000 1.018 486 L CA -0.801 53.961 54.840 -0.129 0.000 0.876 486 L CB 1.621 43.417 42.059 -0.438 0.000 1.236 486 L HN -0.315 nan 8.230 nan 0.000 0.436 487 V N 5.650 125.524 119.914 -0.067 0.000 2.461 487 V HA 0.243 4.363 4.120 0.000 0.000 0.275 487 V C 0.122 176.156 176.094 -0.101 0.000 1.047 487 V CA -0.471 61.792 62.300 -0.061 0.000 0.955 487 V CB 1.420 33.200 31.823 -0.072 0.000 0.988 487 V HN 0.428 nan 8.190 nan 0.000 0.471 488 L N 5.011 126.163 121.223 -0.118 0.000 2.290 488 L HA 0.468 4.808 4.340 0.000 0.000 0.284 488 L C -0.022 176.711 176.870 -0.228 0.000 1.078 488 L CA 0.397 55.115 54.840 -0.204 0.000 0.815 488 L CB 1.179 43.063 42.059 -0.292 0.000 1.162 488 L HN 0.652 nan 8.230 nan 0.000 0.435 489 D N 5.468 125.760 120.400 -0.180 0.000 2.468 489 D HA 0.277 4.917 4.640 0.000 0.000 0.272 489 D C -1.733 174.500 176.300 -0.112 0.000 1.221 489 D CA -1.596 52.315 54.000 -0.148 0.000 0.860 489 D CB 1.584 42.317 40.800 -0.111 0.000 1.190 489 D HN 0.135 nan 8.370 nan 0.000 0.509 490 P HA -0.319 nan 4.420 nan 0.000 0.222 490 P C 1.600 178.867 177.300 -0.055 0.000 1.147 490 P CA 2.996 66.066 63.100 -0.049 0.000 0.958 490 P CB -0.095 31.593 31.700 -0.020 0.000 0.788 491 T N -2.587 111.934 114.554 -0.055 0.000 2.693 491 T HA -0.292 4.058 4.350 0.000 0.000 0.263 491 T C 1.671 176.342 174.700 -0.049 0.000 1.046 491 T CA 2.573 64.644 62.100 -0.048 0.000 1.160 491 T CB -1.784 67.056 68.868 -0.047 0.000 0.853 491 T HN -0.088 nan 8.240 nan 0.000 0.462 492 V N 2.322 122.203 119.914 -0.056 0.000 2.215 492 V HA -0.178 3.942 4.120 0.000 0.000 0.249 492 V C 2.735 178.798 176.094 -0.053 0.000 1.054 492 V CA 2.247 64.516 62.300 -0.053 0.000 1.012 492 V CB -1.139 30.648 31.823 -0.061 0.000 0.639 492 V HN 0.507 nan 8.190 nan 0.000 0.448 493 L N -0.087 121.097 121.223 -0.065 0.000 1.955 493 L HA -0.222 4.119 4.340 0.000 0.000 0.213 493 L C 2.561 179.392 176.870 -0.065 0.000 1.072 493 L CA 3.028 57.825 54.840 -0.072 0.000 0.755 493 L CB -1.575 40.428 42.059 -0.092 0.000 0.888 493 L HN 0.490 nan 8.230 nan 0.000 0.432 494 T N 0.719 115.236 114.554 -0.061 0.000 2.624 494 T HA -0.279 4.071 4.350 0.000 0.000 0.266 494 T C 1.770 176.442 174.700 -0.046 0.000 1.050 494 T CA 1.993 64.061 62.100 -0.054 0.000 1.163 494 T CB -0.453 68.389 68.868 -0.043 0.000 0.861 494 T HN 0.402 nan 8.240 nan 0.000 0.443 495 N N 1.139 119.815 118.700 -0.041 0.000 2.025 495 N HA -0.098 4.642 4.740 0.000 0.000 0.194 495 N C 2.167 177.659 175.510 -0.031 0.000 1.044 495 N CA 1.840 54.870 53.050 -0.033 0.000 0.851 495 N CB -0.568 37.900 38.487 -0.031 0.000 1.036 495 N HN 0.415 nan 8.380 nan 0.000 0.422 496 A N 0.789 123.590 122.820 -0.033 0.000 1.986 496 A HA -0.123 4.197 4.320 0.000 0.000 0.220 496 A C 2.421 179.987 177.584 -0.031 0.000 1.171 496 A CA 1.128 53.148 52.037 -0.027 0.000 0.640 496 A CB -0.523 18.461 19.000 -0.028 0.000 0.811 496 A HN 0.428 nan 8.150 nan 0.000 0.451 497 I N -2.359 118.184 120.570 -0.045 0.000 2.494 497 I HA -0.105 4.065 4.170 0.000 0.000 0.250 497 I C 2.570 178.662 176.117 -0.042 0.000 1.112 497 I CA 1.308 62.575 61.300 -0.054 0.000 1.438 497 I CB -0.245 37.703 38.000 -0.088 0.000 1.111 497 I HN 0.286 nan 8.210 nan 0.000 0.431 498 T N 0.271 114.801 114.554 -0.039 0.000 2.897 498 T HA -0.149 4.201 4.350 0.000 0.000 0.271 498 T C 1.392 176.081 174.700 -0.019 0.000 1.084 498 T CA 1.876 63.959 62.100 -0.029 0.000 1.123 498 T CB -0.375 68.477 68.868 -0.026 0.000 0.865 498 T HN 0.452 nan 8.240 nan 0.000 0.496 499 T N -0.348 114.195 114.554 -0.017 0.000 3.332 499 T HA 0.448 4.798 4.350 0.000 0.000 0.246 499 T C -0.093 174.604 174.700 -0.004 0.000 0.943 499 T CA -0.500 61.594 62.100 -0.010 0.000 0.922 499 T CB -0.515 68.347 68.868 -0.009 0.000 1.086 499 T HN 0.116 nan 8.240 nan 0.000 0.590 500 I N 3.022 123.591 120.570 -0.003 0.000 2.404 500 I HA 0.375 4.545 4.170 0.000 0.000 0.293 500 I C 0.476 176.597 176.117 0.007 0.000 0.992 500 I CA -0.608 60.696 61.300 0.006 0.000 1.149 500 I CB 1.936 39.944 38.000 0.012 0.000 1.315 500 I HN 0.402 nan 8.210 nan 0.000 0.446 501 S N 5.639 121.345 115.700 0.009 0.000 2.572 501 S HA 0.333 4.803 4.470 0.000 0.000 0.279 501 S C -0.207 174.401 174.600 0.012 0.000 1.341 501 S CA -0.354 57.850 58.200 0.008 0.000 1.043 501 S CB 0.755 63.959 63.200 0.007 0.000 0.887 501 S HN 0.690 nan 8.310 nan 0.000 0.516 502 E N 1.792 121.999 120.200 0.011 0.000 2.378 502 E HA 0.241 4.591 4.350 0.000 0.000 0.282 502 E C -0.640 175.967 176.600 0.010 0.000 0.910 502 E CA -0.434 55.974 56.400 0.015 0.000 0.816 502 E CB 1.566 31.278 29.700 0.019 0.000 1.359 502 E HN 0.873 nan 8.360 nan 0.000 0.397 503 S N 2.492 118.197 115.700 0.009 0.000 2.558 503 S HA -0.019 4.451 4.470 0.000 0.000 0.291 503 S C 0.903 175.507 174.600 0.007 0.000 1.306 503 S CA 0.635 58.839 58.200 0.006 0.000 1.056 503 S CB 0.877 64.079 63.200 0.004 0.000 0.836 503 S HN 0.553 nan 8.310 nan 0.000 0.504 504 T N -1.115 113.442 114.554 0.005 0.000 3.186 504 T HA 0.168 4.518 4.350 0.000 0.000 0.257 504 T C 1.034 175.737 174.700 0.005 0.000 1.029 504 T CA 0.136 62.239 62.100 0.006 0.000 0.916 504 T CB -0.714 68.157 68.868 0.005 0.000 1.041 504 T HN 0.843 nan 8.240 nan 0.000 0.562 505 T N -1.383 113.173 114.554 0.004 0.000 3.273 505 T HA 0.386 4.736 4.350 0.000 0.000 0.254 505 T C 0.070 174.771 174.700 0.003 0.000 1.002 505 T CA -0.521 61.581 62.100 0.003 0.000 0.913 505 T CB -0.022 68.847 68.868 0.001 0.000 1.056 505 T HN 0.247 nan 8.240 nan 0.000 0.576 506 Q N -0.036 119.766 119.800 0.004 0.000 2.377 506 Q HA 0.590 4.930 4.340 0.000 0.000 0.271 506 Q C 0.768 176.772 176.000 0.007 0.000 1.077 506 Q CA -0.496 55.310 55.803 0.005 0.000 0.820 506 Q CB 2.129 30.871 28.738 0.006 0.000 1.347 506 Q HN 0.170 nan 8.270 nan 0.000 0.444 507 T N 1.584 116.142 114.554 0.007 0.000 2.837 507 T HA 0.252 4.602 4.350 0.000 0.000 0.248 507 T C 0.623 175.330 174.700 0.012 0.000 1.033 507 T CA 0.272 62.377 62.100 0.009 0.000 1.150 507 T CB -0.032 68.841 68.868 0.008 0.000 0.865 507 T HN 0.500 nan 8.240 nan 0.000 0.425 508 I N 2.216 122.792 120.570 0.010 0.000 2.648 508 I HA 0.064 4.234 4.170 0.000 0.000 0.284 508 I C 0.432 176.563 176.117 0.024 0.000 1.153 508 I CA 0.094 61.402 61.300 0.013 0.000 1.426 508 I CB 0.670 38.670 38.000 0.000 0.000 1.381 508 I HN 0.133 nan 8.210 nan 0.000 0.571 509 S N 7.828 123.550 115.700 0.036 0.000 2.457 509 S HA 0.330 4.801 4.470 0.000 0.000 0.216 509 S C -1.451 173.198 174.600 0.083 0.000 1.392 509 S CA -1.735 56.492 58.200 0.045 0.000 1.102 509 S CB 0.450 63.668 63.200 0.031 0.000 1.114 509 S HN 0.344 nan 8.310 nan 0.000 0.484 510 P HA -0.214 nan 4.420 nan 0.000 0.220 510 P C 1.114 178.540 177.300 0.210 0.000 1.155 510 P CA 1.581 64.824 63.100 0.238 0.000 0.880 510 P CB 0.074 31.887 31.700 0.188 0.000 0.790 511 I N -1.591 119.029 120.570 0.083 0.000 2.162 511 I HA -0.193 3.977 4.170 0.000 0.000 0.238 511 I C 2.475 178.572 176.117 -0.034 0.000 1.076 511 I CA 1.662 62.960 61.300 -0.003 0.000 1.353 511 I CB -1.075 36.923 38.000 -0.003 0.000 1.063 511 I HN -0.016 nan 8.210 nan 0.000 0.408 512 S N 0.441 116.140 115.700 -0.001 0.000 2.420 512 S HA -0.229 4.241 4.470 0.000 0.000 0.237 512 S C 1.723 176.317 174.600 -0.010 0.000 1.023 512 S CA 1.624 59.820 58.200 -0.006 0.000 0.991 512 S CB -0.304 62.902 63.200 0.010 0.000 0.792 512 S HN 0.404 nan 8.310 nan 0.000 0.488 513 E N 1.150 121.358 120.200 0.013 0.000 1.996 513 E HA -0.132 4.218 4.350 0.000 0.000 0.197 513 E C 2.217 178.763 176.600 -0.090 0.000 1.002 513 E CA 1.673 58.093 56.400 0.032 0.000 0.840 513 E CB -0.509 29.327 29.700 0.226 0.000 0.786 513 E HN 0.783 nan 8.360 nan 0.000 0.469 514 I N -0.102 120.239 120.570 -0.382 0.000 2.185 514 I HA -0.273 3.897 4.170 0.000 0.000 0.246 514 I C 2.416 178.446 176.117 -0.145 0.000 1.088 514 I CA 1.178 62.225 61.300 -0.421 0.000 1.347 514 I CB -0.458 37.059 38.000 -0.804 0.000 1.041 514 I HN 0.071 nan 8.210 nan 0.000 0.415 515 L N 1.144 122.280 121.223 -0.145 0.000 2.197 515 L HA -0.213 4.127 4.340 0.000 0.000 0.215 515 L C 2.678 179.523 176.870 -0.042 0.000 1.095 515 L CA 1.914 56.706 54.840 -0.081 0.000 0.764 515 L CB -1.064 40.956 42.059 -0.066 0.000 0.897 515 L HN 0.446 nan 8.230 nan 0.000 0.436 516 R N -1.488 118.996 120.500 -0.027 0.000 2.039 516 R HA -0.019 4.321 4.340 0.000 0.000 0.218 516 R C 2.055 178.367 176.300 0.020 0.000 1.220 516 R CA 0.455 56.556 56.100 0.001 0.000 0.993 516 R CB -0.334 29.974 30.300 0.014 0.000 0.881 516 R HN 0.162 nan 8.270 nan 0.000 0.450 517 L N 1.572 122.824 121.223 0.049 0.000 1.987 517 L HA -0.227 4.113 4.340 0.000 0.000 0.230 517 L C 1.801 178.734 176.870 0.106 0.000 1.089 517 L CA 1.416 56.324 54.840 0.112 0.000 0.802 517 L CB -1.417 40.751 42.059 0.182 0.000 0.905 517 L HN 0.348 nan 8.230 nan 0.000 0.441 518 L N 0.659 121.965 121.223 0.137 0.000 2.983 518 L HA -0.089 4.251 4.340 0.000 0.000 0.244 518 L C 1.161 177.961 176.870 -0.117 0.000 1.465 518 L CA 0.980 55.761 54.840 -0.098 0.000 1.147 518 L CB -0.633 41.317 42.059 -0.180 0.000 1.442 518 L HN 0.434 nan 8.230 nan 0.000 0.452 519 Q N -0.536 119.213 119.800 -0.085 0.000 1.793 519 Q HA 0.169 4.509 4.340 0.000 0.000 0.186 519 Q C -1.409 174.552 176.000 -0.065 0.000 0.714 519 Q CA -0.299 55.463 55.803 -0.068 0.000 0.808 519 Q CB 0.168 28.887 28.738 -0.031 0.000 1.211 519 Q HN 0.447 nan 8.270 nan 0.000 0.402 525 Y N -0.235 120.100 120.300 0.058 0.000 4.873 525 Y HA -0.404 4.146 4.550 0.000 0.000 0.245 525 Y C 1.912 177.940 175.900 0.212 0.000 0.978 525 Y CA 1.218 59.379 58.100 0.101 0.000 1.955 525 Y CB -1.813 36.729 38.460 0.137 0.000 1.450 525 Y HN 0.549 nan 8.280 nan 0.000 0.515 526 A N 0.181 123.136 122.820 0.225 0.000 1.930 526 A HA 0.075 4.395 4.320 0.000 0.000 0.217 526 A C 2.350 180.021 177.584 0.144 0.000 1.175 526 A CA 2.068 54.240 52.037 0.225 0.000 0.627 526 A CB -0.995 18.084 19.000 0.132 0.000 0.815 526 A HN 0.798 nan 8.150 nan 0.000 0.443 527 A N -1.072 121.774 122.820 0.043 0.000 1.933 527 A HA -0.005 4.316 4.320 0.000 0.000 0.218 527 A C 2.007 179.566 177.584 -0.042 0.000 1.175 527 A CA 1.583 53.614 52.037 -0.010 0.000 0.628 527 A CB -0.664 18.305 19.000 -0.052 0.000 0.814 527 A HN 0.658 nan 8.150 nan 0.000 0.444 528 F N -0.688 119.134 119.950 -0.213 0.000 2.051 528 F HA -0.130 4.397 4.527 0.000 0.000 0.296 528 F C 1.993 177.543 175.800 -0.416 0.000 1.122 528 F CA 1.431 59.206 58.000 -0.376 0.000 1.201 528 F CB -0.808 37.853 39.000 -0.565 0.000 0.978 528 F HN 0.391 nan 8.300 nan 0.000 0.472 529 W N 1.224 122.421 121.300 -0.173 0.000 2.311 529 W HA -0.226 4.434 4.660 0.000 0.000 0.326 529 W C 2.606 178.941 176.519 -0.307 0.000 1.239 529 W CA 1.838 59.023 57.345 -0.266 0.000 1.258 529 W CB -0.784 28.662 29.460 -0.024 0.000 1.165 529 W HN -0.127 nan 8.180 nan 0.000 0.466 530 K N -0.577 119.856 120.400 0.054 0.000 2.107 530 K HA -0.289 4.031 4.320 0.000 0.000 0.211 530 K C 1.963 178.450 176.600 -0.187 0.000 1.049 530 K CA 1.893 58.168 56.287 -0.020 0.000 0.927 530 K CB -1.027 31.484 32.500 0.019 0.000 0.714 530 K HN 0.239 nan 8.250 nan 0.000 0.452 531 C N 0.864 119.967 119.300 -0.329 0.000 2.398 531 C HA -0.168 4.292 4.460 0.000 0.000 0.276 531 C C 2.594 176.975 174.990 -1.014 0.000 1.222 531 C CA 0.731 59.447 59.018 -0.502 0.000 1.746 531 C CB -0.766 26.680 27.740 -0.490 0.000 2.039 531 C HN 0.384 nan 8.230 nan 0.000 0.470 532 I N 0.950 120.852 120.570 -1.113 0.000 2.072 532 I HA -0.196 3.974 4.170 0.000 0.000 0.235 532 I C 2.814 178.664 176.117 -0.445 0.000 1.058 532 I CA 1.719 62.298 61.300 -1.202 0.000 1.320 532 I CB -0.977 36.684 38.000 -0.566 0.000 1.047 532 I HN 0.280 nan 8.210 nan 0.000 0.397 533 A N 0.030 122.765 122.820 -0.142 0.000 1.997 533 A HA -0.312 4.008 4.320 0.000 0.000 0.221 533 A C 2.470 180.099 177.584 0.075 0.000 1.172 533 A CA 2.533 54.596 52.037 0.044 0.000 0.645 533 A CB -0.965 18.098 19.000 0.105 0.000 0.813 533 A HN 0.466 nan 8.150 nan 0.000 0.454 534 S N -1.700 113.990 115.700 -0.017 0.000 2.419 534 S HA -0.152 4.318 4.470 0.000 0.000 0.233 534 S C 1.683 176.421 174.600 0.230 0.000 1.016 534 S CA 1.206 59.466 58.200 0.099 0.000 0.974 534 S CB -0.495 62.719 63.200 0.024 0.000 0.786 534 S HN 0.707 nan 8.310 nan 0.000 0.492 535 W N 1.627 123.028 121.300 0.169 0.000 2.363 535 W HA 0.073 4.733 4.660 0.000 0.000 0.296 535 W C 2.788 179.364 176.519 0.094 0.000 1.212 535 W CA 0.458 57.963 57.345 0.266 0.000 1.260 535 W CB -1.524 28.126 29.460 0.316 0.000 1.131 535 W HN 0.433 nan 8.180 nan 0.000 0.530 536 A N -1.056 121.843 122.820 0.131 0.000 2.019 536 A HA -0.154 4.166 4.320 0.000 0.000 0.219 536 A C 0.800 178.009 177.584 -0.624 0.000 1.164 536 A CA 1.268 53.104 52.037 -0.336 0.000 0.644 536 A CB -0.980 17.643 19.000 -0.629 0.000 0.805 536 A HN 0.374 nan 8.150 nan 0.000 0.449 537 Y N -0.275 120.104 120.300 0.132 0.000 2.672 537 Y HA 0.132 4.682 4.550 0.000 0.000 0.272 537 Y C 1.248 177.216 175.900 0.113 0.000 1.055 537 Y CA -0.463 57.705 58.100 0.113 0.000 1.151 537 Y CB -0.343 38.173 38.460 0.093 0.000 1.190 537 Y HN 0.499 nan 8.280 nan 0.000 0.574 538 N N -0.170 118.629 118.700 0.164 0.000 2.137 538 N HA -0.192 4.548 4.740 0.000 0.000 0.190 538 N C 2.055 177.621 175.510 0.095 0.000 1.017 538 N CA 1.605 54.753 53.050 0.162 0.000 0.859 538 N CB -0.723 37.839 38.487 0.126 0.000 1.002 538 N HN 0.390 nan 8.380 nan 0.000 0.428 539 G N 0.979 109.778 108.800 -0.002 0.000 2.529 539 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 539 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 539 G C 1.263 176.317 174.900 0.258 0.000 1.177 539 G CA 1.176 46.273 45.100 -0.004 0.000 0.773 539 G HN 0.190 nan 8.290 nan 0.000 0.573 540 L N -0.488 120.888 121.223 0.255 0.000 2.007 540 L HA 0.241 4.582 4.340 0.000 0.000 0.205 540 L C 1.272 178.199 176.870 0.095 0.000 1.073 540 L CA 0.749 55.565 54.840 -0.040 0.000 0.744 540 L CB -1.167 40.797 42.059 -0.160 0.000 0.898 540 L HN 0.152 nan 8.230 nan 0.000 0.435 541 V N -0.093 119.907 119.914 0.143 0.000 2.577 541 V HA 0.514 4.634 4.120 0.000 0.000 0.303 541 V C -0.597 175.606 176.094 0.183 0.000 1.042 541 V CA -0.424 61.968 62.300 0.152 0.000 0.872 541 V CB 1.760 33.656 31.823 0.122 0.000 0.998 541 V HN 0.533 nan 8.190 nan 0.000 0.423 542 T N 2.532 117.195 114.554 0.182 0.000 2.771 542 T HA 0.579 4.929 4.350 0.000 0.000 0.281 542 T C 0.287 175.091 174.700 0.174 0.000 0.982 542 T CA 0.122 62.345 62.100 0.204 0.000 0.978 542 T CB 1.085 70.085 68.868 0.219 0.000 0.930 542 T HN 1.092 nan 8.240 nan 0.000 0.447 543 T N 1.179 115.831 114.554 0.164 0.000 2.734 543 T HA 0.525 4.875 4.350 0.000 0.000 0.314 543 T C 0.139 174.927 174.700 0.147 0.000 1.057 543 T CA -0.606 61.570 62.100 0.128 0.000 1.047 543 T CB 0.425 69.344 68.868 0.086 0.000 0.991 543 T HN 0.762 nan 8.240 nan 0.000 0.540 544 V N 0.671 120.667 119.914 0.137 0.000 3.120 544 V HA 0.300 4.420 4.120 0.000 0.000 0.303 544 V C -0.665 175.535 176.094 0.176 0.000 1.238 544 V CA -1.363 61.036 62.300 0.165 0.000 1.008 544 V CB 2.115 34.030 31.823 0.154 0.000 1.064 544 V HN 0.805 nan 8.190 nan 0.000 0.434 545 L N 2.093 123.458 121.223 0.236 0.000 2.410 545 L HA 0.241 4.581 4.340 0.000 0.000 0.273 545 L C 0.976 178.050 176.870 0.339 0.000 1.144 545 L CA 0.825 55.823 54.840 0.264 0.000 0.863 545 L CB 0.858 43.103 42.059 0.311 0.000 1.140 545 L HN 0.854 nan 8.230 nan 0.000 0.463 546 S N 2.623 118.469 115.700 0.244 0.000 2.506 546 S HA -0.036 4.434 4.470 0.000 0.000 0.291 546 S C 1.386 176.192 174.600 0.343 0.000 1.230 546 S CA -0.143 58.192 58.200 0.225 0.000 1.107 546 S CB -0.095 63.191 63.200 0.143 0.000 0.942 546 S HN 0.722 nan 8.310 nan 0.000 0.502 547 E N 3.568 123.917 120.200 0.247 0.000 2.172 547 E HA -0.323 4.027 4.350 0.000 0.000 0.213 547 E C 1.433 178.187 176.600 0.256 0.000 1.051 547 E CA 2.401 58.878 56.400 0.129 0.000 0.860 547 E CB -0.182 29.519 29.700 0.002 0.000 0.755 547 E HN 0.931 nan 8.360 nan 0.000 0.462 548 D N 0.332 120.854 120.400 0.202 0.000 2.182 548 D HA -0.171 4.469 4.640 0.000 0.000 0.201 548 D C 1.064 177.502 176.300 0.230 0.000 0.986 548 D CA 1.360 55.466 54.000 0.177 0.000 0.847 548 D CB -0.467 40.405 40.800 0.120 0.000 0.942 548 D HN 0.254 nan 8.370 nan 0.000 0.467 549 A N -0.437 122.546 122.820 0.271 0.000 3.019 549 A HA 0.366 4.686 4.320 0.000 0.000 0.262 549 A C -0.677 176.981 177.584 0.123 0.000 1.509 549 A CA -0.498 51.645 52.037 0.177 0.000 1.159 549 A CB -1.175 17.879 19.000 0.091 0.000 1.042 549 A HN 0.092 nan 8.150 nan 0.000 0.641 550 F N 0.558 120.558 119.950 0.084 0.000 2.520 550 F HA 0.444 4.971 4.527 0.000 0.000 0.322 550 F C -2.090 173.755 175.800 0.075 0.000 1.103 550 F CA -2.745 55.304 58.000 0.081 0.000 0.926 550 F CB 1.985 41.026 39.000 0.069 0.000 1.154 550 F HN 0.073 nan 8.300 nan 0.000 0.453 551 P HA -0.038 nan 4.420 nan 0.000 0.261 551 P C -0.570 176.828 177.300 0.164 0.000 1.183 551 P CA 0.019 63.215 63.100 0.160 0.000 0.761 551 P CB 0.608 32.379 31.700 0.117 0.000 0.785 552 D N 1.935 122.413 120.400 0.130 0.000 2.443 552 D HA -0.039 4.601 4.640 0.000 0.000 0.239 552 D C -0.125 176.207 176.300 0.053 0.000 1.136 552 D CA -0.127 53.926 54.000 0.089 0.000 0.879 552 D CB 0.473 41.309 40.800 0.060 0.000 1.195 552 D HN 0.147 nan 8.370 nan 0.000 0.443 553 S N 1.827 117.553 115.700 0.042 0.000 3.048 553 S HA 0.029 4.499 4.470 0.000 0.000 0.254 553 S C 0.796 175.394 174.600 -0.003 0.000 1.084 553 S CA -0.260 57.954 58.200 0.023 0.000 1.195 553 S CB -0.228 62.990 63.200 0.030 0.000 0.870 553 S HN 0.425 nan 8.310 nan 0.000 0.483 554 S N 0.533 116.220 115.700 -0.023 0.000 2.632 554 S HA 0.251 4.721 4.470 0.000 0.000 0.237 554 S C 0.270 174.822 174.600 -0.079 0.000 1.037 554 S CA -0.252 57.920 58.200 -0.047 0.000 1.009 554 S CB 0.488 63.656 63.200 -0.053 0.000 0.974 554 S HN 0.319 nan 8.310 nan 0.000 0.544 555 Q N 1.324 121.072 119.800 -0.086 0.000 2.348 555 Q HA 0.570 4.910 4.340 0.000 0.000 0.271 555 Q C 0.017 175.990 176.000 -0.045 0.000 1.067 555 Q CA -0.368 55.366 55.803 -0.116 0.000 0.839 555 Q CB 1.825 30.405 28.738 -0.263 0.000 1.354 555 Q HN 0.330 nan 8.270 nan 0.000 0.447 556 S N -0.012 115.668 115.700 -0.034 0.000 2.647 556 S HA 0.418 4.888 4.470 0.000 0.000 0.284 556 S C 0.857 175.449 174.600 -0.013 0.000 1.134 556 S CA -0.606 57.577 58.200 -0.027 0.000 1.027 556 S CB 0.295 63.474 63.200 -0.035 0.000 1.180 556 S HN 0.695 nan 8.310 nan 0.000 0.521 557 I N 1.195 121.735 120.570 -0.049 0.000 3.550 557 I HA -0.011 4.160 4.170 0.000 0.000 0.295 557 I C 1.870 177.941 176.117 -0.077 0.000 1.291 557 I CA 0.887 62.140 61.300 -0.077 0.000 1.298 557 I CB -0.551 37.367 38.000 -0.137 0.000 1.026 557 I HN 0.944 nan 8.210 nan 0.000 0.491 558 T N -2.733 111.798 114.554 -0.038 0.000 3.043 558 T HA -0.131 4.219 4.350 0.000 0.000 0.263 558 T C 1.022 175.720 174.700 -0.003 0.000 1.094 558 T CA 0.217 62.294 62.100 -0.039 0.000 1.127 558 T CB -0.563 68.291 68.868 -0.024 0.000 0.905 558 T HN 0.355 nan 8.240 nan 0.000 0.490 559 H N 1.011 120.031 119.070 -0.083 0.000 3.026 559 H HA 0.328 4.884 4.556 0.000 0.000 0.289 559 H C 0.809 176.076 175.328 -0.102 0.000 1.022 559 H CA -1.244 54.764 56.048 -0.068 0.000 1.477 559 H CB 0.486 30.221 29.762 -0.046 0.000 1.510 559 H HN 0.024 nan 8.280 nan 0.000 0.535 560 L N 7.588 128.602 121.223 -0.348 0.000 2.341 560 L HA 0.143 4.483 4.340 0.000 0.000 0.214 560 L C -1.114 175.526 176.870 -0.384 0.000 1.115 560 L CA 0.508 55.127 54.840 -0.367 0.000 0.820 560 L CB -0.362 41.544 42.059 -0.255 0.000 0.944 560 L HN 0.626 nan 8.230 nan 0.000 0.452 561 P HA 0.047 nan 4.420 nan 0.000 0.231 561 P C 1.351 178.575 177.300 -0.127 0.000 1.168 561 P CA 0.806 63.756 63.100 -0.250 0.000 0.779 561 P CB 0.318 31.838 31.700 -0.299 0.000 0.844 562 S N -1.514 114.088 115.700 -0.165 0.000 2.503 562 S HA 0.119 4.590 4.470 0.000 0.000 0.217 562 S C 1.592 176.169 174.600 -0.039 0.000 0.999 562 S CA 0.290 58.512 58.200 0.037 0.000 0.914 562 S CB -0.446 62.881 63.200 0.211 0.000 0.782 562 S HN 0.057 nan 8.310 nan 0.000 0.520 563 M N -0.042 119.457 119.600 -0.168 0.000 2.236 563 M HA 0.126 4.606 4.480 0.000 0.000 0.266 563 M C 1.133 177.311 176.300 -0.203 0.000 1.070 563 M CA 1.207 56.368 55.300 -0.230 0.000 1.137 563 M CB -0.727 31.603 32.600 -0.450 0.000 1.378 563 M HN 0.453 nan 8.290 nan 0.000 0.426 564 W N 0.423 121.587 121.300 -0.227 0.000 2.453 564 W HA -0.082 4.578 4.660 0.000 0.000 0.289 564 W C 2.410 178.593 176.519 -0.559 0.000 1.215 564 W CA 0.251 57.310 57.345 -0.478 0.000 1.297 564 W CB -0.094 29.097 29.460 -0.448 0.000 1.113 564 W HN 0.129 nan 8.180 nan 0.000 0.551 565 K N -0.202 120.186 120.400 -0.020 0.000 2.057 565 K HA -0.234 4.086 4.320 0.000 0.000 0.207 565 K C 2.066 178.658 176.600 -0.014 0.000 1.049 565 K CA 1.539 57.835 56.287 0.016 0.000 0.931 565 K CB -0.661 31.881 32.500 0.070 0.000 0.714 565 K HN 0.186 nan 8.250 nan 0.000 0.440 566 C N 0.939 120.238 119.300 -0.001 0.000 2.446 566 C HA -0.009 4.451 4.460 0.000 0.000 0.279 566 C C 2.485 177.464 174.990 -0.019 0.000 1.366 566 C CA 0.184 59.231 59.018 0.048 0.000 1.763 566 C CB -0.860 26.956 27.740 0.127 0.000 1.929 566 C HN 0.484 nan 8.230 nan 0.000 0.509 567 L N 0.057 121.118 121.223 -0.270 0.000 2.056 567 L HA 0.097 4.437 4.340 0.000 0.000 0.207 567 L C 2.051 178.719 176.870 -0.337 0.000 1.078 567 L CA 2.145 56.441 54.840 -0.907 0.000 0.749 567 L CB -1.098 40.522 42.059 -0.731 0.000 0.901 567 L HN 0.406 nan 8.230 nan 0.000 0.433 568 F N -1.327 118.528 119.950 -0.158 0.000 2.546 568 F HA -0.127 4.400 4.527 0.000 0.000 0.298 568 F C 2.104 177.855 175.800 -0.081 0.000 1.120 568 F CA -0.042 57.894 58.000 -0.106 0.000 1.456 568 F CB -0.003 38.953 39.000 -0.073 0.000 1.088 568 F HN 0.143 nan 8.300 nan 0.000 0.572 569 L N -0.514 120.756 121.223 0.079 0.000 2.068 569 L HA -0.145 4.195 4.340 0.000 0.000 0.204 569 L C 2.417 179.377 176.870 0.150 0.000 1.076 569 L CA 1.264 56.107 54.840 0.005 0.000 0.753 569 L CB -0.798 41.183 42.059 -0.131 0.000 0.910 569 L HN 0.077 nan 8.230 nan 0.000 0.439 570 T N 0.628 115.298 114.554 0.192 0.000 2.569 570 T HA -0.241 4.109 4.350 0.000 0.000 0.263 570 T C 1.937 176.897 174.700 0.434 0.000 1.074 570 T CA 1.477 63.802 62.100 0.374 0.000 1.176 570 T CB -0.559 68.476 68.868 0.278 0.000 0.863 570 T HN 0.120 nan 8.240 nan 0.000 0.410 571 L N 0.970 122.307 121.223 0.190 0.000 1.991 571 L HA -0.243 4.097 4.340 0.000 0.000 0.221 571 L C 2.872 179.992 176.870 0.417 0.000 1.079 571 L CA 1.728 56.705 54.840 0.228 0.000 0.778 571 L CB -0.690 41.408 42.059 0.066 0.000 0.893 571 L HN 0.305 nan 8.230 nan 0.000 0.437 572 A N -0.168 122.800 122.820 0.246 0.000 2.248 572 A HA 0.006 4.326 4.320 0.000 0.000 0.210 572 A C 2.226 179.941 177.584 0.218 0.000 1.174 572 A CA 1.088 53.243 52.037 0.197 0.000 0.750 572 A CB -1.073 17.986 19.000 0.099 0.000 0.780 572 A HN 0.512 nan 8.150 nan 0.000 0.478 573 G N 1.094 110.072 108.800 0.298 0.000 2.587 573 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 573 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 573 G C -0.274 174.649 174.900 0.038 0.000 1.240 573 G CA 1.347 46.637 45.100 0.316 0.000 0.794 573 G HN 0.486 nan 8.290 nan 0.000 0.580 574 P HA -0.080 nan 4.420 nan 0.000 0.219 574 P C 1.966 179.132 177.300 -0.223 0.000 1.146 574 P CA 0.942 63.430 63.100 -1.021 0.000 0.808 574 P CB -0.025 30.609 31.700 -1.777 0.000 0.779 575 M N -0.804 118.891 119.600 0.159 0.000 2.065 575 M HA -0.076 4.404 4.480 0.000 0.000 0.259 575 M C 1.087 177.555 176.300 0.280 0.000 1.069 575 M CA 1.498 57.012 55.300 0.357 0.000 1.110 575 M CB -1.699 31.047 32.600 0.242 0.000 1.328 575 M HN -0.121 nan 8.290 nan 0.000 0.405 576 T N -0.487 114.174 114.554 0.178 0.000 2.916 576 T HA 0.118 4.468 4.350 0.000 0.000 0.303 576 T C 1.271 176.092 174.700 0.201 0.000 1.025 576 T CA 0.296 62.496 62.100 0.167 0.000 1.142 576 T CB 0.458 69.423 68.868 0.162 0.000 0.947 576 T HN 0.500 nan 8.240 nan 0.000 0.544 577 S N 2.418 118.259 115.700 0.235 0.000 2.561 577 S HA -0.002 4.468 4.470 0.000 0.000 0.225 577 S C 0.552 175.266 174.600 0.190 0.000 0.977 577 S CA 0.034 58.366 58.200 0.220 0.000 0.926 577 S CB -0.438 63.023 63.200 0.435 0.000 0.769 577 S HN 0.883 nan 8.310 nan 0.000 0.533 578 D N 3.516 124.033 120.400 0.196 0.000 2.520 578 D HA 0.119 4.759 4.640 0.000 0.000 0.243 578 D C -1.898 174.507 176.300 0.175 0.000 1.160 578 D CA -1.507 52.622 54.000 0.215 0.000 0.877 578 D CB 0.798 41.737 40.800 0.232 0.000 1.150 578 D HN 0.065 nan 8.370 nan 0.000 0.494 579 P HA -0.085 nan 4.420 nan 0.000 0.238 579 P C -0.471 176.619 177.300 -0.350 0.000 1.175 579 P CA 1.078 64.147 63.100 -0.052 0.000 0.757 579 P CB 0.101 31.767 31.700 -0.057 0.000 0.839 580 H N -4.539 114.573 119.070 0.070 0.000 3.643 580 H HA 0.196 4.752 4.556 0.000 0.000 0.256 580 H C 1.919 177.147 175.328 -0.166 0.000 1.107 580 H CA 0.227 56.269 56.048 -0.010 0.000 1.175 580 H CB -0.289 29.526 29.762 0.088 0.000 1.519 580 H HN -0.165 nan 8.280 nan 0.000 0.565 581 S N 2.267 117.999 115.700 0.053 0.000 2.429 581 S HA -0.222 4.248 4.470 0.000 0.000 0.251 581 S C -0.508 173.961 174.600 -0.218 0.000 1.104 581 S CA 2.341 60.581 58.200 0.068 0.000 1.130 581 S CB -1.020 62.343 63.200 0.272 0.000 1.000 581 S HN 0.503 nan 8.310 nan 0.000 0.449 582 P HA -0.073 nan 4.420 nan 0.000 0.212 582 P C 1.621 178.430 177.300 -0.819 0.000 1.178 582 P CA 1.096 63.545 63.100 -1.085 0.000 0.915 582 P CB -0.317 30.603 31.700 -1.300 0.000 0.788 583 V N 0.835 120.095 119.914 -1.090 0.000 2.287 583 V HA -0.253 3.867 4.120 0.000 0.000 0.248 583 V C 2.739 178.515 176.094 -0.530 0.000 1.053 583 V CA 2.162 63.743 62.300 -1.197 0.000 1.027 583 V CB -1.135 29.878 31.823 -1.349 0.000 0.646 583 V HN 0.147 nan 8.190 nan 0.000 0.447 584 K N -0.731 119.527 120.400 -0.236 0.000 2.063 584 K HA -0.154 4.166 4.320 0.000 0.000 0.208 584 K C 2.000 178.657 176.600 0.096 0.000 1.048 584 K CA 1.492 57.791 56.287 0.018 0.000 0.928 584 K CB -0.378 32.260 32.500 0.229 0.000 0.713 584 K HN 0.352 nan 8.250 nan 0.000 0.442 585 V N 0.966 120.923 119.914 0.072 0.000 2.358 585 V HA -0.230 3.890 4.120 0.000 0.000 0.246 585 V C 1.950 178.223 176.094 0.298 0.000 1.047 585 V CA 1.592 64.023 62.300 0.218 0.000 1.035 585 V CB -0.482 31.530 31.823 0.316 0.000 0.658 585 V HN 0.226 nan 8.190 nan 0.000 0.452 586 F N -0.016 119.891 119.950 -0.071 0.000 2.095 586 F HA -0.237 4.290 4.527 0.000 0.000 0.298 586 F C 2.248 178.083 175.800 0.060 0.000 1.104 586 F CA 2.091 60.105 58.000 0.024 0.000 1.232 586 F CB -0.331 38.440 39.000 -0.381 0.000 0.987 586 F HN 0.087 nan 8.300 nan 0.000 0.475 587 M N 0.860 120.254 119.600 -0.343 0.000 2.059 587 M HA -0.079 4.401 4.480 0.000 0.000 0.259 587 M C 2.542 178.683 176.300 -0.266 0.000 1.072 587 M CA 2.036 57.031 55.300 -0.509 0.000 1.117 587 M CB -1.495 30.634 32.600 -0.786 0.000 1.320 587 M HN 0.253 nan 8.290 nan 0.000 0.408 588 A N -0.295 122.506 122.820 -0.032 0.000 1.957 588 A HA -0.298 4.022 4.320 0.000 0.000 0.224 588 A C 2.315 179.881 177.584 -0.029 0.000 1.287 588 A CA 2.624 54.721 52.037 0.100 0.000 0.682 588 A CB -1.368 17.728 19.000 0.160 0.000 0.833 588 A HN 0.598 nan 8.150 nan 0.000 0.482 589 L N -2.027 119.117 121.223 -0.131 0.000 2.121 589 L HA 0.171 4.511 4.340 0.000 0.000 0.200 589 L C 2.873 179.558 176.870 -0.308 0.000 1.077 589 L CA 1.262 55.936 54.840 -0.278 0.000 0.766 589 L CB -0.508 41.180 42.059 -0.619 0.000 0.931 589 L HN 0.388 nan 8.230 nan 0.000 0.452 590 A N 0.549 123.094 122.820 -0.459 0.000 1.940 590 A HA -0.356 3.964 4.320 0.000 0.000 0.221 590 A C 2.092 179.517 177.584 -0.265 0.000 1.190 590 A CA 2.461 54.207 52.037 -0.485 0.000 0.647 590 A CB -1.304 17.131 19.000 -0.940 0.000 0.821 590 A HN 0.743 nan 8.150 nan 0.000 0.457 591 N N -0.017 118.542 118.700 -0.236 0.000 2.051 591 N HA -0.146 4.594 4.740 0.000 0.000 0.192 591 N C 1.940 177.405 175.510 -0.075 0.000 1.049 591 N CA 1.789 54.768 53.050 -0.118 0.000 0.845 591 N CB -0.372 38.065 38.487 -0.083 0.000 1.031 591 N HN 0.516 nan 8.380 nan 0.000 0.425 592 L N 1.256 122.434 121.223 -0.075 0.000 2.187 592 L HA -0.050 4.290 4.340 0.000 0.000 0.213 592 L C 1.637 178.463 176.870 -0.074 0.000 1.100 592 L CA 1.038 55.844 54.840 -0.056 0.000 0.765 592 L CB -0.108 41.924 42.059 -0.045 0.000 0.904 592 L HN 0.385 nan 8.230 nan 0.000 0.437 593 L N -2.204 118.956 121.223 -0.105 0.000 3.096 593 L HA 0.492 4.832 4.340 0.000 0.000 0.247 593 L C 1.411 178.241 176.870 -0.067 0.000 1.321 593 L CA 0.131 54.914 54.840 -0.095 0.000 1.044 593 L CB 0.264 42.245 42.059 -0.130 0.000 1.434 593 L HN 0.029 nan 8.230 nan 0.000 0.533 594 A N 0.585 123.377 122.820 -0.047 0.000 1.845 594 A HA -0.245 4.075 4.320 0.000 0.000 0.215 594 A C 2.107 179.685 177.584 -0.010 0.000 1.195 594 A CA 1.842 53.867 52.037 -0.019 0.000 0.616 594 A CB -0.498 18.502 19.000 -0.001 0.000 0.832 594 A HN 0.689 nan 8.150 nan 0.000 0.443 595 Q N 0.633 120.424 119.800 -0.015 0.000 2.118 595 Q HA -0.164 4.176 4.340 0.000 0.000 0.211 595 Q C -0.594 175.398 176.000 -0.012 0.000 0.998 595 Q CA 2.903 58.699 55.803 -0.012 0.000 0.872 595 Q CB -1.495 27.232 28.738 -0.019 0.000 0.925 595 Q HN 0.532 nan 8.270 nan 0.000 0.414 596 P HA 0.054 nan 4.420 nan 0.000 0.215 596 P C -0.529 176.765 177.300 -0.009 0.000 1.157 596 P CA 0.819 63.906 63.100 -0.022 0.000 0.869 596 P CB 0.146 31.822 31.700 -0.040 0.000 0.781 597 E N 1.075 121.268 120.200 -0.011 0.000 2.035 597 E HA 0.238 4.588 4.350 0.000 0.000 0.271 597 E C -2.361 174.255 176.600 0.027 0.000 0.953 597 E CA -2.462 53.944 56.400 0.010 0.000 0.777 597 E CB 0.281 29.985 29.700 0.005 0.000 1.104 597 E HN 0.262 nan 8.360 nan 0.000 0.408 598 P HA 0.362 nan 4.420 nan 0.000 0.294 598 P C -0.465 176.886 177.300 0.085 0.000 1.294 598 P CA -0.531 62.603 63.100 0.058 0.000 0.827 598 P CB 1.107 32.837 31.700 0.051 0.000 0.992 599 I N -1.027 119.607 120.570 0.107 0.000 3.074 599 I HA 0.801 4.971 4.170 0.000 0.000 0.310 599 I C -0.569 175.632 176.117 0.141 0.000 1.153 599 I CA -1.874 59.515 61.300 0.149 0.000 0.993 599 I CB 2.126 40.267 38.000 0.235 0.000 1.237 599 I HN 0.192 nan 8.210 nan 0.000 0.443 600 A N 4.231 127.139 122.820 0.147 0.000 2.450 600 A HA 0.597 4.917 4.320 0.000 0.000 0.255 600 A C -0.256 177.426 177.584 0.164 0.000 1.096 600 A CA -0.036 52.078 52.037 0.127 0.000 0.778 600 A CB -0.082 18.984 19.000 0.110 0.000 1.031 600 A HN 0.533 nan 8.150 nan 0.000 0.494 601 I N 4.316 124.965 120.570 0.131 0.000 2.537 601 I HA 0.200 4.370 4.170 0.000 0.000 0.276 601 I C 1.410 177.582 176.117 0.092 0.000 1.063 601 I CA -0.116 61.281 61.300 0.162 0.000 1.144 601 I CB -0.047 38.052 38.000 0.165 0.000 1.252 601 I HN 0.842 nan 8.210 nan 0.000 0.480 602 G N 6.103 114.972 108.800 0.115 0.000 3.289 602 G HA2 -0.261 3.699 3.960 0.000 0.000 0.242 602 G HA3 -0.261 3.699 3.960 0.000 0.000 0.242 602 G C 0.830 175.735 174.900 0.009 0.000 1.044 602 G CA 1.505 46.645 45.100 0.066 0.000 0.747 602 G HN 0.616 nan 8.290 nan 0.000 1.087 603 V N 0.223 120.128 119.914 -0.015 0.000 2.924 603 V HA 0.504 4.624 4.120 0.000 0.000 0.305 603 V C -1.662 174.384 176.094 -0.081 0.000 1.073 603 V CA -1.669 60.599 62.300 -0.053 0.000 1.098 603 V CB 0.983 32.758 31.823 -0.079 0.000 1.000 603 V HN 0.517 nan 8.190 nan 0.000 0.484 604 P HA 0.312 nan 4.420 nan 0.000 0.271 604 P C 0.640 177.906 177.300 -0.056 0.000 1.216 604 P CA 1.191 64.246 63.100 -0.075 0.000 0.776 604 P CB 1.048 32.725 31.700 -0.038 0.000 0.881 605 G N 2.136 110.925 108.800 -0.017 0.000 2.149 605 G HA2 -0.160 3.800 3.960 0.000 0.000 0.235 605 G HA3 -0.160 3.800 3.960 0.000 0.000 0.235 605 G C 0.084 174.997 174.900 0.022 0.000 1.018 605 G CA -0.290 44.843 45.100 0.054 0.000 0.728 605 G HN 0.504 nan 8.290 nan 0.000 0.508 606 M N 0.802 120.387 119.600 -0.026 0.000 2.151 606 M HA 0.261 4.741 4.480 0.000 0.000 0.229 606 M C -0.302 175.995 176.300 -0.005 0.000 1.029 606 M CA -0.543 54.721 55.300 -0.058 0.000 0.765 606 M CB 0.569 33.053 32.600 -0.193 0.000 1.969 606 M HN 0.283 nan 8.290 nan 0.000 0.352 607 H N 0.264 119.372 119.070 0.062 0.000 2.547 607 H HA 0.180 4.736 4.556 0.000 0.000 0.362 607 H C 1.012 176.438 175.328 0.163 0.000 1.181 607 H CA 0.123 56.229 56.048 0.096 0.000 1.376 607 H CB 1.024 30.822 29.762 0.060 0.000 1.488 607 H HN 0.468 nan 8.280 nan 0.000 0.583 608 Q N 0.738 120.683 119.800 0.243 0.000 2.515 608 Q HA -0.126 4.214 4.340 0.000 0.000 0.215 608 Q C 0.253 176.336 176.000 0.138 0.000 0.983 608 Q CA 1.549 57.459 55.803 0.178 0.000 0.905 608 Q CB 0.038 28.843 28.738 0.112 0.000 0.961 608 Q HN 0.838 nan 8.270 nan 0.000 0.503 609 T N -3.434 111.219 114.554 0.166 0.000 3.176 609 T HA 0.180 4.530 4.350 0.000 0.000 0.263 609 T C 0.238 175.014 174.700 0.128 0.000 1.021 609 T CA -0.379 61.784 62.100 0.105 0.000 0.905 609 T CB 0.558 69.463 68.868 0.062 0.000 1.057 609 T HN -0.109 nan 8.240 nan 0.000 0.558 610 T N 5.160 119.845 114.554 0.218 0.000 2.779 610 T HA 0.257 4.608 4.350 0.000 0.000 0.296 610 T C -2.436 172.405 174.700 0.235 0.000 0.938 610 T CA -0.921 61.311 62.100 0.220 0.000 1.119 610 T CB 0.624 69.640 68.868 0.246 0.000 0.891 610 T HN 0.062 nan 8.240 nan 0.000 0.526 611 P HA -0.120 nan 4.420 nan 0.000 0.140 611 P C 0.913 178.244 177.300 0.051 0.000 0.817 611 P CA 0.410 63.545 63.100 0.059 0.000 1.248 611 P CB -0.598 31.108 31.700 0.010 0.000 1.542 612 A N 3.917 126.778 122.820 0.068 0.000 1.818 612 A HA -0.432 3.888 4.320 0.000 0.000 0.310 612 A C 2.542 180.113 177.584 -0.021 0.000 3.572 612 A CA 3.608 55.645 52.037 -0.000 0.000 0.984 612 A CB -2.144 16.912 19.000 0.093 0.000 0.719 612 A HN 0.519 nan 8.150 nan 0.000 0.500 613 S N -1.380 113.994 115.700 -0.544 0.000 2.422 613 S HA -0.344 4.126 4.470 0.000 0.000 0.241 613 S C 1.467 175.988 174.600 -0.132 0.000 1.076 613 S CA 2.232 60.069 58.200 -0.604 0.000 1.066 613 S CB -0.576 62.112 63.200 -0.854 0.000 0.890 613 S HN 0.712 nan 8.310 nan 0.000 0.465 614 Q N 0.222 120.013 119.800 -0.015 0.000 2.319 614 Q HA 0.339 4.679 4.340 0.000 0.000 0.217 614 Q C -0.559 175.430 176.000 -0.019 0.000 0.924 614 Q CA 0.242 56.040 55.803 -0.009 0.000 0.964 614 Q CB -0.973 27.741 28.738 -0.039 0.000 1.025 614 Q HN 0.705 nan 8.270 nan 0.000 0.465 615 F N -1.557 118.354 119.950 -0.066 0.000 2.850 615 F HA 0.248 4.775 4.527 0.000 0.000 0.306 615 F C 1.381 177.174 175.800 -0.011 0.000 1.162 615 F CA -0.180 57.818 58.000 -0.004 0.000 1.327 615 F CB 0.434 39.433 39.000 -0.002 0.000 0.953 615 F HN -0.000 nan 8.300 nan 0.000 0.507 616 S N -1.469 114.214 115.700 -0.029 0.000 2.423 616 S HA -0.156 4.314 4.470 0.000 0.000 0.231 616 S C 0.960 175.366 174.600 -0.323 0.000 1.014 616 S CA 0.600 58.612 58.200 -0.313 0.000 0.965 616 S CB -0.433 62.628 63.200 -0.232 0.000 0.785 616 S HN 0.400 nan 8.310 nan 0.000 0.495 617 H N 1.591 120.621 119.070 -0.066 0.000 2.582 617 H HA 0.150 4.706 4.556 0.000 0.000 0.345 617 H C -2.135 173.266 175.328 0.123 0.000 1.104 617 H CA -1.737 54.329 56.048 0.031 0.000 1.390 617 H CB 1.339 31.094 29.762 -0.012 0.000 1.461 617 H HN -0.085 nan 8.280 nan 0.000 0.551 618 P HA -0.086 nan 4.420 nan 0.000 0.215 618 P C 1.356 178.173 177.300 -0.805 0.000 1.153 618 P CA 1.878 64.539 63.100 -0.731 0.000 0.853 618 P CB -0.093 30.950 31.700 -1.094 0.000 0.788 619 G N -0.189 108.471 108.800 -0.233 0.000 2.479 619 G HA2 -0.155 3.805 3.960 0.000 0.000 0.220 619 G HA3 -0.155 3.805 3.960 0.000 0.000 0.220 619 G C 0.792 175.705 174.900 0.021 0.000 1.115 619 G CA 0.770 45.812 45.100 -0.097 0.000 0.757 619 G HN 0.383 nan 8.290 nan 0.000 0.560 620 V N -3.270 116.741 119.914 0.160 0.000 2.584 620 V HA 0.469 4.589 4.120 0.000 0.000 0.319 620 V C -0.832 175.567 176.094 0.508 0.000 1.363 620 V CA -1.763 60.663 62.300 0.210 0.000 1.518 620 V CB -0.838 31.011 31.823 0.042 0.000 1.514 620 V HN 0.137 nan 8.190 nan 0.000 0.553 621 W N 1.694 123.084 121.300 0.149 0.000 2.433 621 W HA 0.586 5.246 4.660 0.000 0.000 0.315 621 W C -2.382 174.269 176.519 0.220 0.000 1.087 621 W CA -3.085 54.373 57.345 0.189 0.000 1.205 621 W CB 1.042 30.597 29.460 0.159 0.000 1.288 621 W HN 0.215 nan 8.180 nan 0.000 0.504 622 P HA -0.079 nan 4.420 nan 0.000 0.259 622 P C -1.772 175.707 177.300 0.298 0.000 1.163 622 P CA -0.163 63.154 63.100 0.363 0.000 0.760 622 P CB 0.398 32.349 31.700 0.419 0.000 0.762 623 P HA -0.207 nan 4.420 nan 0.000 0.216 623 P C 1.523 178.880 177.300 0.096 0.000 1.150 623 P CA 1.994 65.178 63.100 0.141 0.000 0.843 623 P CB -0.206 31.557 31.700 0.106 0.000 0.787 624 G N -1.321 107.544 108.800 0.107 0.000 2.403 624 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 624 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 624 G C 1.353 176.205 174.900 -0.080 0.000 1.154 624 G CA 0.169 45.295 45.100 0.044 0.000 0.784 624 G HN 0.200 nan 8.290 nan 0.000 0.538 625 F N 1.465 121.269 119.950 -0.243 0.000 2.095 625 F HA -0.092 4.435 4.527 0.000 0.000 0.298 625 F C 2.264 177.882 175.800 -0.302 0.000 1.104 625 F CA 0.974 58.643 58.000 -0.552 0.000 1.232 625 F CB -0.148 38.471 39.000 -0.635 0.000 0.987 625 F HN -0.032 nan 8.300 nan 0.000 0.475 626 L N 0.283 121.335 121.223 -0.286 0.000 1.943 626 L HA -0.199 4.141 4.340 0.000 0.000 0.215 626 L C 0.885 177.557 176.870 -0.331 0.000 1.074 626 L CA 1.781 56.451 54.840 -0.284 0.000 0.759 626 L CB -2.238 39.830 42.059 0.015 0.000 0.888 626 L HN 0.265 nan 8.230 nan 0.000 0.433 627 N N 0.775 119.366 118.700 -0.181 0.000 2.609 627 N HA 0.199 4.939 4.740 0.000 0.000 0.234 627 N C -2.124 173.307 175.510 -0.132 0.000 1.001 627 N CA -1.734 51.230 53.050 -0.143 0.000 0.926 627 N CB 1.357 39.801 38.487 -0.071 0.000 1.130 627 N HN -0.131 nan 8.380 nan 0.000 0.510 628 P HA -0.121 nan 4.420 nan 0.000 0.228 628 P C 1.042 178.314 177.300 -0.046 0.000 1.151 628 P CA 0.580 63.610 63.100 -0.116 0.000 0.770 628 P CB 0.331 31.950 31.700 -0.136 0.000 0.786 629 Q N 0.300 120.072 119.800 -0.047 0.000 2.112 629 Q HA -0.189 4.151 4.340 0.000 0.000 0.206 629 Q C 1.889 177.886 176.000 -0.004 0.000 0.987 629 Q CA 1.789 57.579 55.803 -0.021 0.000 0.858 629 Q CB -1.342 27.381 28.738 -0.024 0.000 0.905 629 Q HN 0.209 nan 8.270 nan 0.000 0.420 630 L N -0.186 121.034 121.223 -0.005 0.000 2.012 630 L HA -0.099 4.241 4.340 0.000 0.000 0.210 630 L C 0.860 177.750 176.870 0.033 0.000 1.073 630 L CA 0.440 55.289 54.840 0.014 0.000 0.748 630 L CB -0.430 41.639 42.059 0.018 0.000 0.891 630 L HN 0.204 nan 8.230 nan 0.000 0.431 631 I N 1.517 122.112 120.570 0.042 0.000 2.662 631 I HA -0.103 4.067 4.170 0.000 0.000 0.285 631 I C 0.572 176.726 176.117 0.061 0.000 1.161 631 I CA 0.253 61.596 61.300 0.072 0.000 1.415 631 I CB -0.080 37.984 38.000 0.106 0.000 1.385 631 I HN 0.260 nan 8.210 nan 0.000 0.552 632 N N 8.851 127.586 118.700 0.059 0.000 2.499 632 N HA 0.193 4.933 4.740 0.000 0.000 0.281 632 N C -1.983 173.558 175.510 0.051 0.000 1.098 632 N CA -1.592 51.486 53.050 0.047 0.000 0.979 632 N CB 2.115 40.625 38.487 0.038 0.000 1.121 632 N HN 0.191 nan 8.380 nan 0.000 0.466 633 P HA -0.098 nan 4.420 nan 0.000 0.213 633 P C 0.680 177.999 177.300 0.032 0.000 1.170 633 P CA 1.402 64.528 63.100 0.043 0.000 0.898 633 P CB 0.192 31.914 31.700 0.035 0.000 0.787 634 Q N -1.137 118.678 119.800 0.025 0.000 2.615 634 Q HA -0.179 4.161 4.340 0.000 0.000 0.220 634 Q C 1.442 177.454 176.000 0.019 0.000 0.981 634 Q CA 1.024 56.838 55.803 0.018 0.000 0.939 634 Q CB -0.212 28.536 28.738 0.016 0.000 0.982 634 Q HN 0.444 nan 8.270 nan 0.000 0.550 635 Q N -3.044 116.773 119.800 0.028 0.000 2.506 635 Q HA 0.250 4.590 4.340 0.000 0.000 0.239 635 Q C 0.030 176.051 176.000 0.035 0.000 0.782 635 Q CA 0.512 56.332 55.803 0.029 0.000 0.972 635 Q CB 0.950 29.709 28.738 0.035 0.000 1.304 635 Q HN 0.146 nan 8.270 nan 0.000 0.534 636 A N 1.691 124.541 122.820 0.050 0.000 2.992 636 A HA 0.294 4.614 4.320 0.000 0.000 0.263 636 A C -2.102 175.531 177.584 0.081 0.000 0.928 636 A CA -0.988 51.088 52.037 0.066 0.000 1.061 636 A CB 0.262 19.319 19.000 0.096 0.000 1.173 636 A HN 0.010 nan 8.150 nan 0.000 0.482 637 P HA -0.258 nan 4.420 nan 0.000 0.209 637 P C 1.623 178.977 177.300 0.090 0.000 1.167 637 P CA 1.055 64.190 63.100 0.058 0.000 0.941 637 P CB 0.147 31.858 31.700 0.019 0.000 0.787 638 L N -0.994 120.254 121.223 0.042 0.000 2.030 638 L HA -0.202 4.138 4.340 0.000 0.000 0.222 638 L C 2.793 179.802 176.870 0.233 0.000 1.082 638 L CA 1.842 56.703 54.840 0.036 0.000 0.785 638 L CB -1.896 40.120 42.059 -0.072 0.000 0.895 638 L HN -0.064 nan 8.230 nan 0.000 0.439 639 L N -0.794 120.547 121.223 0.197 0.000 2.141 639 L HA -0.167 4.173 4.340 0.000 0.000 0.209 639 L C 2.718 179.861 176.870 0.454 0.000 1.094 639 L CA 1.633 56.660 54.840 0.312 0.000 0.763 639 L CB -0.668 41.509 42.059 0.197 0.000 0.908 639 L HN 0.305 nan 8.230 nan 0.000 0.437 640 R N -0.784 119.900 120.500 0.307 0.000 2.115 640 R HA -0.083 4.257 4.340 0.000 0.000 0.230 640 R C 1.965 178.426 176.300 0.269 0.000 1.111 640 R CA 1.148 57.397 56.100 0.248 0.000 0.976 640 R CB -0.162 30.231 30.300 0.155 0.000 0.870 640 R HN 0.398 nan 8.270 nan 0.000 0.445 641 A N 0.008 123.039 122.820 0.351 0.000 2.119 641 A HA -0.090 4.230 4.320 0.000 0.000 0.217 641 A C 1.679 179.613 177.584 0.584 0.000 1.153 641 A CA 0.475 52.777 52.037 0.442 0.000 0.692 641 A CB -0.452 18.817 19.000 0.448 0.000 0.799 641 A HN 0.443 nan 8.150 nan 0.000 0.458 642 F N 0.810 120.947 119.950 0.312 0.000 2.118 642 F HA 0.129 4.656 4.527 0.000 0.000 0.293 642 F C 2.521 178.399 175.800 0.129 0.000 1.102 642 F CA 0.636 58.524 58.000 -0.186 0.000 1.247 642 F CB -0.789 38.180 39.000 -0.052 0.000 1.017 642 F HN 0.231 nan 8.300 nan 0.000 0.475 643 A N -0.051 122.915 122.820 0.243 0.000 1.883 643 A HA -0.254 4.066 4.320 0.000 0.000 0.217 643 A C 2.093 179.587 177.584 -0.149 0.000 1.186 643 A CA 2.003 53.952 52.037 -0.148 0.000 0.624 643 A CB -1.048 17.771 19.000 -0.301 0.000 0.822 643 A HN 0.403 nan 8.150 nan 0.000 0.444 644 E N -0.766 119.431 120.200 -0.006 0.000 2.130 644 E HA -0.228 4.122 4.350 0.000 0.000 0.196 644 E C 1.911 178.531 176.600 0.033 0.000 0.998 644 E CA 1.603 58.010 56.400 0.010 0.000 0.806 644 E CB -0.384 29.375 29.700 0.099 0.000 0.738 644 E HN 0.822 nan 8.360 nan 0.000 0.459 645 H N 0.089 119.144 119.070 -0.024 0.000 2.307 645 H HA -0.036 4.520 4.556 0.000 0.000 0.303 645 H C 2.190 177.536 175.328 0.031 0.000 1.073 645 H CA 1.725 57.777 56.048 0.006 0.000 1.338 645 H CB -0.372 29.359 29.762 -0.051 0.000 1.389 645 H HN 0.196 nan 8.280 nan 0.000 0.503 646 I N 0.882 121.369 120.570 -0.137 0.000 2.194 646 I HA -0.310 3.860 4.170 0.000 0.000 0.246 646 I C 2.996 179.055 176.117 -0.098 0.000 1.093 646 I CA 1.437 62.706 61.300 -0.050 0.000 1.355 646 I CB -0.305 37.656 38.000 -0.065 0.000 1.046 646 I HN 0.228 nan 8.210 nan 0.000 0.413 647 R N 0.702 121.088 120.500 -0.189 0.000 2.066 647 R HA -0.080 4.260 4.340 0.000 0.000 0.232 647 R C 2.464 178.694 176.300 -0.116 0.000 1.131 647 R CA 1.472 57.452 56.100 -0.201 0.000 0.955 647 R CB -0.478 29.659 30.300 -0.271 0.000 0.851 647 R HN 0.367 nan 8.270 nan 0.000 0.432 648 A N 1.128 123.890 122.820 -0.097 0.000 2.015 648 A HA -0.074 4.246 4.320 0.000 0.000 0.219 648 A C 1.199 178.766 177.584 -0.027 0.000 1.163 648 A CA 1.144 53.151 52.037 -0.050 0.000 0.646 648 A CB -0.023 18.967 19.000 -0.017 0.000 0.806 648 A HN 0.281 nan 8.150 nan 0.000 0.448 649 N N -1.919 116.758 118.700 -0.038 0.000 2.238 649 N HA 0.045 4.785 4.740 0.000 0.000 0.235 649 N C -0.648 174.870 175.510 0.015 0.000 1.209 649 N CA -0.311 52.781 53.050 0.070 0.000 0.879 649 N CB 0.277 38.875 38.487 0.185 0.000 1.136 649 N HN 0.640 nan 8.380 nan 0.000 0.517 650 W N 3.678 124.775 121.300 -0.338 0.000 2.304 650 W HA 0.218 4.878 4.660 0.000 0.000 0.313 650 W C -2.406 173.803 176.519 -0.517 0.000 1.323 650 W CA -1.316 55.663 57.345 -0.610 0.000 1.223 650 W CB 0.766 29.919 29.460 -0.511 0.000 1.237 650 W HN -0.083 nan 8.180 nan 0.000 0.535 651 P HA -0.176 nan 4.420 nan 0.000 0.259 651 P C -0.655 176.355 177.300 -0.484 0.000 1.163 651 P CA 0.757 63.415 63.100 -0.738 0.000 0.760 651 P CB 0.382 31.154 31.700 -1.547 0.000 0.762 652 Q N 5.443 125.069 119.800 -0.291 0.000 2.293 652 Q HA 0.254 4.594 4.340 0.000 0.000 0.263 652 Q C -2.222 173.627 176.000 -0.252 0.000 1.002 652 Q CA -1.667 54.011 55.803 -0.208 0.000 0.910 652 Q CB -0.202 28.464 28.738 -0.119 0.000 1.185 652 Q HN 0.318 nan 8.270 nan 0.000 0.401 653 P HA 0.145 nan 4.420 nan 0.000 0.270 653 P C -1.282 175.936 177.300 -0.138 0.000 1.223 653 P CA -0.077 62.887 63.100 -0.227 0.000 0.785 653 P CB 1.035 32.660 31.700 -0.125 0.000 0.923 654 S N -0.623 115.007 115.700 -0.116 0.000 2.588 654 S HA 0.685 5.155 4.470 0.000 0.000 0.269 654 S C -1.398 173.127 174.600 -0.125 0.000 1.157 654 S CA -0.877 57.273 58.200 -0.084 0.000 0.824 654 S CB 1.675 64.841 63.200 -0.057 0.000 1.126 654 S HN 0.374 nan 8.310 nan 0.000 0.464 655 E N 1.289 121.420 120.200 -0.116 0.000 2.277 655 E HA 0.758 5.108 4.350 0.000 0.000 0.266 655 E C -0.770 175.804 176.600 -0.043 0.000 0.901 655 E CA -1.006 55.298 56.400 -0.160 0.000 0.782 655 E CB 1.023 30.690 29.700 -0.054 0.000 1.228 655 E HN 0.828 nan 8.360 nan 0.000 0.424 656 F N -1.620 118.326 119.950 -0.005 0.000 2.640 656 F HA 0.886 5.413 4.527 0.000 0.000 0.324 656 F C 0.343 176.153 175.800 0.017 0.000 1.077 656 F CA -1.754 56.236 58.000 -0.016 0.000 0.965 656 F CB 1.356 40.317 39.000 -0.065 0.000 1.351 656 F HN 0.527 nan 8.300 nan 0.000 0.487 657 G N 0.086 109.013 108.800 0.212 0.000 2.562 657 G HA2 0.472 4.432 3.960 0.000 0.000 0.275 657 G HA3 0.472 4.432 3.960 0.000 0.000 0.275 657 G C -2.069 172.822 174.900 -0.015 0.000 1.196 657 G CA -0.547 44.592 45.100 0.066 0.000 0.908 657 G HN 1.125 nan 8.290 nan 0.000 0.524 658 Y N -2.044 118.188 120.300 -0.114 0.000 2.457 658 Y HA 0.522 5.072 4.550 0.000 0.000 0.322 658 Y C 0.115 175.967 175.900 -0.080 0.000 1.218 658 Y CA -0.570 57.433 58.100 -0.162 0.000 1.116 658 Y CB 0.590 38.947 38.460 -0.173 0.000 1.335 658 Y HN 2.077 nan 8.280 nan 0.000 0.452 659 G N 1.553 110.245 108.800 -0.181 0.000 2.828 659 G HA2 0.133 4.093 3.960 0.000 0.000 0.463 659 G HA3 0.133 4.093 3.960 0.000 0.000 0.463 659 G C -0.852 173.927 174.900 -0.202 0.000 1.394 659 G CA -0.411 44.576 45.100 -0.188 0.000 0.862 659 G HN 1.526 nan 8.290 nan 0.000 0.540 660 S N -1.396 114.233 115.700 -0.118 0.000 2.508 660 S HA 0.611 5.081 4.470 0.000 0.000 0.284 660 S C 1.511 176.028 174.600 -0.137 0.000 1.192 660 S CA 0.769 58.902 58.200 -0.112 0.000 1.070 660 S CB 1.455 64.615 63.200 -0.066 0.000 1.004 660 S HN 1.095 nan 8.310 nan 0.000 0.493 661 T N 4.773 119.247 114.554 -0.134 0.000 2.995 661 T HA 0.042 4.392 4.350 0.000 0.000 0.269 661 T C 1.429 176.060 174.700 -0.115 0.000 1.091 661 T CA 0.690 62.717 62.100 -0.122 0.000 1.128 661 T CB -0.192 68.614 68.868 -0.103 0.000 0.891 661 T HN 0.504 nan 8.240 nan 0.000 0.492 662 L N 0.758 121.900 121.223 -0.135 0.000 2.478 662 L HA 0.202 4.542 4.340 0.000 0.000 0.223 662 L C 1.569 178.324 176.870 -0.191 0.000 1.140 662 L CA 1.169 55.907 54.840 -0.170 0.000 0.842 662 L CB -0.781 41.145 42.059 -0.222 0.000 0.953 662 L HN 0.344 nan 8.230 nan 0.000 0.452 663 Q N 0.300 120.015 119.800 -0.142 0.000 2.628 663 Q HA 0.307 4.647 4.340 0.000 0.000 0.397 663 Q C 0.889 176.881 176.000 -0.013 0.000 0.916 663 Q CA 0.177 55.940 55.803 -0.066 0.000 1.071 663 Q CB 0.422 29.169 28.738 0.014 0.000 1.367 663 Q HN 0.385 nan 8.270 nan 0.000 0.404 664 G N 1.866 110.644 108.800 -0.037 0.000 2.596 664 G HA2 -0.386 3.574 3.960 0.000 0.000 0.421 664 G HA3 -0.386 3.574 3.960 0.000 0.000 0.421 664 G C -0.198 174.680 174.900 -0.035 0.000 1.364 664 G CA 0.600 45.684 45.100 -0.028 0.000 0.954 664 G HN 1.221 nan 8.290 nan 0.000 0.524 665 S N -3.610 112.094 115.700 0.007 0.000 2.710 665 S HA 0.635 5.105 4.470 0.000 0.000 0.274 665 S C -0.191 174.464 174.600 0.092 0.000 1.029 665 S CA 0.390 58.620 58.200 0.050 0.000 0.864 665 S CB 0.935 64.123 63.200 -0.020 0.000 1.103 665 S HN 2.419 nan 8.310 nan 0.000 0.460 666 A N 1.076 123.990 122.820 0.157 0.000 2.797 666 A HA 0.431 4.751 4.320 0.000 0.000 0.287 666 A C 0.102 177.763 177.584 0.128 0.000 1.369 666 A CA -0.505 51.603 52.037 0.119 0.000 0.968 666 A CB -0.913 18.154 19.000 0.110 0.000 1.069 666 A HN 0.570 nan 8.150 nan 0.000 0.571 667 N N 0.149 118.914 118.700 0.109 0.000 2.499 667 N HA 0.396 5.136 4.740 0.000 0.000 0.281 667 N C 0.496 175.981 175.510 -0.042 0.000 1.098 667 N CA -0.137 52.952 53.050 0.065 0.000 0.979 667 N CB 1.612 40.150 38.487 0.085 0.000 1.121 667 N HN 0.319 nan 8.380 nan 0.000 0.466 668 L N 0.701 121.828 121.223 -0.160 0.000 2.672 668 L HA 0.297 4.637 4.340 0.000 0.000 0.236 668 L C 0.180 176.520 176.870 -0.883 0.000 1.092 668 L CA 0.429 54.963 54.840 -0.510 0.000 0.887 668 L CB 0.278 41.981 42.059 -0.593 0.000 1.168 668 L HN 0.401 nan 8.230 nan 0.000 0.502 669 F N -0.914 119.008 119.950 -0.046 0.000 2.915 669 F HA 0.346 4.873 4.527 0.000 0.000 0.347 669 F C 0.170 175.918 175.800 -0.086 0.000 1.104 669 F CA -0.474 57.486 58.000 -0.067 0.000 1.126 669 F CB 0.832 39.700 39.000 -0.220 0.000 1.145 669 F HN -0.266 nan 8.300 nan 0.000 0.541 670 I N 0.470 121.065 120.570 0.041 0.000 2.785 670 I HA 0.448 4.618 4.170 0.000 0.000 0.302 670 I C -2.383 173.754 176.117 0.033 0.000 1.069 670 I CA -2.998 58.317 61.300 0.024 0.000 1.045 670 I CB 1.182 39.184 38.000 0.004 0.000 1.236 670 I HN -0.277 nan 8.210 nan 0.000 0.429 671 P HA 0.070 nan 4.420 nan 0.000 0.269 671 P C -0.376 176.942 177.300 0.029 0.000 1.211 671 P CA 0.026 63.140 63.100 0.023 0.000 0.781 671 P CB 0.350 32.060 31.700 0.017 0.000 0.877 672 S N 1.824 117.525 115.700 0.002 0.000 2.549 672 S HA 0.038 4.508 4.470 0.000 0.000 0.286 672 S C 0.386 174.935 174.600 -0.086 0.000 1.314 672 S CA 0.104 58.291 58.200 -0.022 0.000 1.062 672 S CB -0.717 62.458 63.200 -0.042 0.000 0.865 672 S HN 0.534 nan 8.310 nan 0.000 0.498 673 N N 1.014 119.582 118.700 -0.220 0.000 2.776 673 N HA -0.145 4.595 4.740 0.000 0.000 0.249 673 N C -0.941 174.463 175.510 -0.177 0.000 1.111 673 N CA 0.841 53.553 53.050 -0.563 0.000 0.711 673 N CB -0.715 37.543 38.487 -0.381 0.000 1.065 673 N HN 0.435 nan 8.380 nan 0.000 0.556 674 R N -0.239 120.369 120.500 0.180 0.000 2.771 674 R HA 0.651 4.991 4.340 0.000 0.000 0.274 674 R C -0.238 176.295 176.300 0.389 0.000 0.987 674 R CA -0.354 55.916 56.100 0.284 0.000 0.908 674 R CB 1.210 31.588 30.300 0.131 0.000 1.213 674 R HN 0.170 nan 8.270 nan 0.000 0.468 675 M N 1.869 121.682 119.600 0.354 0.000 2.213 675 M HA 0.238 4.718 4.480 0.000 0.000 0.286 675 M C 0.097 176.357 176.300 -0.067 0.000 1.008 675 M CA -1.118 54.287 55.300 0.174 0.000 0.937 675 M CB 2.552 35.384 32.600 0.388 0.000 1.600 675 M HN 0.462 nan 8.290 nan 0.000 0.450 676 V N 1.327 121.151 119.914 -0.150 0.000 3.096 676 V HA 0.400 4.520 4.120 0.000 0.000 0.306 676 V C -1.261 174.769 176.094 -0.107 0.000 1.088 676 V CA 0.052 62.238 62.300 -0.189 0.000 1.129 676 V CB 0.925 32.571 31.823 -0.295 0.000 1.014 676 V HN 0.842 nan 8.190 nan 0.000 0.486 677 Y N 4.874 125.048 120.300 -0.210 0.000 2.442 677 Y HA 0.509 5.059 4.550 0.000 0.000 0.330 677 Y C -2.289 173.398 175.900 -0.356 0.000 1.100 677 Y CA -1.934 56.007 58.100 -0.266 0.000 1.034 677 Y CB 2.464 40.544 38.460 -0.634 0.000 1.285 677 Y HN 0.544 nan 8.280 nan 0.000 0.440 678 P HA -0.200 nan 4.420 nan 0.000 0.215 678 P C -0.216 176.319 177.300 -1.275 0.000 1.163 678 P CA 1.708 63.933 63.100 -1.458 0.000 0.894 678 P CB 0.231 30.678 31.700 -2.089 0.000 0.791 679 W N 1.472 122.069 121.300 -1.173 0.000 2.313 679 W HA 0.364 5.024 4.660 0.000 0.000 0.328 679 W C -1.728 174.570 176.519 -0.369 0.000 1.197 679 W CA -2.582 54.352 57.345 -0.684 0.000 1.235 679 W CB -0.810 28.289 29.460 -0.601 0.000 1.158 679 W HN -0.035 nan 8.180 nan 0.000 0.578 680 P HA -0.119 nan 4.420 nan 0.000 0.266 680 P C -0.606 176.727 177.300 0.055 0.000 1.195 680 P CA 0.210 63.312 63.100 0.003 0.000 0.768 680 P CB 0.778 32.475 31.700 -0.004 0.000 0.838 681 N N 2.518 121.247 118.700 0.047 0.000 2.362 681 N HA 0.203 4.943 4.740 0.000 0.000 0.298 681 N C -1.010 174.486 175.510 -0.023 0.000 1.048 681 N CA -0.339 52.741 53.050 0.049 0.000 0.858 681 N CB 1.433 39.975 38.487 0.093 0.000 1.218 681 N HN 0.272 nan 8.380 nan 0.000 0.488 682 Q N 1.999 121.736 119.800 -0.105 0.000 2.387 682 Q HA 0.582 4.922 4.340 0.000 0.000 0.273 682 Q C -2.433 173.600 176.000 0.055 0.000 1.089 682 Q CA -1.813 53.942 55.803 -0.080 0.000 0.824 682 Q CB 2.133 30.676 28.738 -0.325 0.000 1.367 682 Q HN 0.465 nan 8.270 nan 0.000 0.443 683 P HA -0.001 nan 4.420 nan 0.000 0.271 683 P C -0.676 176.731 177.300 0.178 0.000 1.218 683 P CA -0.470 62.703 63.100 0.123 0.000 0.780 683 P CB 0.633 32.392 31.700 0.098 0.000 0.901 684 L N 5.591 126.909 121.223 0.159 0.000 2.525 684 L HA 0.186 4.526 4.340 0.000 0.000 0.278 684 L C -1.969 174.996 176.870 0.158 0.000 1.218 684 L CA -0.833 54.123 54.840 0.194 0.000 0.878 684 L CB -0.569 41.620 42.059 0.216 0.000 1.127 684 L HN 0.343 nan 8.230 nan 0.000 0.492 685 P HA 0.308 nan 4.420 nan 0.000 0.296 685 P C -0.881 176.474 177.300 0.091 0.000 1.306 685 P CA -0.559 62.604 63.100 0.105 0.000 0.818 685 P CB 1.133 32.892 31.700 0.098 0.000 0.969 686 R N 2.144 122.687 120.500 0.071 0.000 2.426 686 R HA 0.299 4.639 4.340 0.000 0.000 0.263 686 R C 0.884 177.204 176.300 0.035 0.000 0.961 686 R CA -0.172 55.964 56.100 0.060 0.000 1.086 686 R CB 0.097 30.431 30.300 0.057 0.000 1.186 686 R HN 0.502 nan 8.270 nan 0.000 0.537 687 L N -0.306 120.932 121.223 0.024 0.000 2.695 687 L HA 0.349 4.689 4.340 0.000 0.000 0.211 687 L C 0.065 176.922 176.870 -0.021 0.000 1.839 687 L CA -0.266 54.575 54.840 0.001 0.000 2.948 687 L CB 0.769 42.828 42.059 -0.000 0.000 2.799 687 L HN -0.099 nan 8.230 nan 0.000 0.731 688 T N 1.482 116.011 114.554 -0.042 0.000 2.807 688 T HA 0.476 4.826 4.350 0.000 0.000 0.279 688 T C -0.600 174.020 174.700 -0.134 0.000 0.993 688 T CA -0.445 61.609 62.100 -0.077 0.000 0.970 688 T CB 1.833 70.657 68.868 -0.072 0.000 0.950 688 T HN 0.267 nan 8.240 nan 0.000 0.441 689 V N 0.242 120.029 119.914 -0.211 0.000 2.716 689 V HA 1.004 5.124 4.120 0.000 0.000 0.304 689 V C -0.199 175.665 176.094 -0.384 0.000 1.053 689 V CA -1.115 60.926 62.300 -0.431 0.000 0.984 689 V CB 1.015 32.431 31.823 -0.678 0.000 1.021 689 V HN 1.142 nan 8.190 nan 0.000 0.467 690 A N 4.282 126.833 122.820 -0.448 0.000 2.437 690 A HA 0.807 5.127 4.320 0.000 0.000 0.293 690 A C -2.822 174.613 177.584 -0.249 0.000 1.038 690 A CA -1.633 50.242 52.037 -0.270 0.000 0.708 690 A CB 1.500 20.398 19.000 -0.170 0.000 1.251 690 A HN 0.829 nan 8.150 nan 0.000 0.409 691 P HA -0.015 nan 4.420 nan 0.000 0.253 691 P C 0.320 177.708 177.300 0.146 0.000 1.159 691 P CA 1.034 64.157 63.100 0.039 0.000 0.779 691 P CB 0.014 31.775 31.700 0.102 0.000 0.745 692 T N 1.273 115.993 114.554 0.275 0.000 2.928 692 T HA 0.306 4.656 4.350 0.000 0.000 0.284 692 T C 0.483 175.523 174.700 0.567 0.000 1.008 692 T CA -0.589 61.699 62.100 0.313 0.000 1.057 692 T CB 0.759 69.831 68.868 0.339 0.000 1.018 692 T HN 0.375 nan 8.240 nan 0.000 0.493 693 Y N 0.855 121.214 120.300 0.100 0.000 2.493 693 Y HA 0.180 4.730 4.550 0.000 0.000 0.275 693 Y C 0.736 176.691 175.900 0.092 0.000 1.183 693 Y CA -1.232 56.919 58.100 0.084 0.000 1.258 693 Y CB 0.188 38.683 38.460 0.059 0.000 1.108 693 Y HN 0.786 nan 8.280 nan 0.000 0.521 694 D N -0.642 119.917 120.400 0.264 0.000 2.487 694 D HA 0.483 5.123 4.640 0.000 0.000 0.262 694 D C -0.223 176.171 176.300 0.157 0.000 1.130 694 D CA -0.403 53.706 54.000 0.182 0.000 1.038 694 D CB 1.403 42.300 40.800 0.162 0.000 1.142 694 D HN 0.003 nan 8.370 nan 0.000 0.575 695 S N -2.793 112.976 115.700 0.115 0.000 2.922 695 S HA 0.088 4.558 4.470 0.000 0.000 0.854 695 S C 0.858 175.518 174.600 0.100 0.000 0.921 695 S CA -0.141 58.105 58.200 0.077 0.000 1.418 695 S CB -1.359 61.867 63.200 0.043 0.000 1.015 695 S HN 1.556 nan 8.310 nan 0.000 0.230 696 A N 4.470 127.362 122.820 0.119 0.000 1.881 696 A HA -0.137 4.183 4.320 0.000 0.000 0.219 696 A C 2.178 179.947 177.584 0.308 0.000 1.215 696 A CA 3.230 55.398 52.037 0.219 0.000 0.648 696 A CB -1.062 18.099 19.000 0.269 0.000 0.832 696 A HN 1.923 nan 8.150 nan 0.000 0.455 697 M N 0.200 119.874 119.600 0.123 0.000 2.399 697 M HA -0.191 4.289 4.480 0.000 0.000 0.263 697 M C 2.329 178.670 176.300 0.068 0.000 1.067 697 M CA 2.833 58.027 55.300 -0.177 0.000 1.084 697 M CB -1.103 31.177 32.600 -0.533 0.000 1.252 697 M HN 0.479 nan 8.290 nan 0.000 0.454 698 S N -0.032 115.679 115.700 0.018 0.000 2.372 698 S HA -0.276 4.194 4.470 0.000 0.000 0.227 698 S C 1.835 176.464 174.600 0.048 0.000 1.044 698 S CA 2.369 60.575 58.200 0.010 0.000 1.050 698 S CB -0.887 62.334 63.200 0.034 0.000 0.901 698 S HN 0.781 nan 8.310 nan 0.000 0.447 699 N N 0.539 119.310 118.700 0.119 0.000 2.120 699 N HA -0.172 4.568 4.740 0.000 0.000 0.188 699 N C 1.776 177.400 175.510 0.190 0.000 1.024 699 N CA 2.054 55.188 53.050 0.139 0.000 0.852 699 N CB -1.125 37.455 38.487 0.155 0.000 1.003 699 N HN 0.797 nan 8.380 nan 0.000 0.424 700 W N 0.868 122.217 121.300 0.081 0.000 2.350 700 W HA -0.126 4.534 4.660 0.000 0.000 0.289 700 W C 1.311 177.899 176.519 0.115 0.000 1.215 700 W CA 0.916 58.322 57.345 0.102 0.000 1.236 700 W CB -0.112 29.427 29.460 0.132 0.000 1.130 700 W HN 0.145 nan 8.180 nan 0.000 0.541 701 I N 0.299 120.815 120.570 -0.090 0.000 2.500 701 I HA -0.238 3.932 4.170 0.000 0.000 0.252 701 I C 2.728 178.749 176.117 -0.160 0.000 1.142 701 I CA 1.273 62.445 61.300 -0.213 0.000 1.451 701 I CB -0.618 37.314 38.000 -0.113 0.000 1.093 701 I HN -0.107 nan 8.210 nan 0.000 0.430 702 S N 0.327 115.980 115.700 -0.077 0.000 2.395 702 S HA -0.135 4.335 4.470 0.000 0.000 0.225 702 S C 2.153 176.760 174.600 0.012 0.000 1.027 702 S CA 1.924 60.102 58.200 -0.036 0.000 0.965 702 S CB -0.293 62.901 63.200 -0.009 0.000 0.812 702 S HN 0.584 nan 8.310 nan 0.000 0.482 703 T N -2.090 112.490 114.554 0.044 0.000 2.937 703 T HA -0.018 4.332 4.350 0.000 0.000 0.260 703 T C 1.986 176.766 174.700 0.133 0.000 1.051 703 T CA 1.685 63.867 62.100 0.138 0.000 1.141 703 T CB -1.125 67.880 68.868 0.228 0.000 0.879 703 T HN 0.353 nan 8.240 nan 0.000 0.459 704 T N 1.143 115.674 114.554 -0.038 0.000 2.857 704 T HA 0.056 4.406 4.350 0.000 0.000 0.266 704 T C 1.753 176.448 174.700 -0.008 0.000 1.048 704 T CA 0.562 62.545 62.100 -0.195 0.000 1.139 704 T CB -0.475 68.007 68.868 -0.643 0.000 0.874 704 T HN 0.255 nan 8.240 nan 0.000 0.455 705 I N 1.467 122.008 120.570 -0.049 0.000 3.001 705 I HA 0.120 4.290 4.170 0.000 0.000 0.268 705 I C 2.557 178.729 176.117 0.091 0.000 1.267 705 I CA 0.654 61.966 61.300 0.019 0.000 1.472 705 I CB -1.416 36.572 38.000 -0.020 0.000 1.089 705 I HN 0.318 nan 8.210 nan 0.000 0.468 706 A N -0.400 122.479 122.820 0.098 0.000 2.081 706 A HA -0.094 4.226 4.320 0.000 0.000 0.214 706 A C 2.120 179.773 177.584 0.116 0.000 1.158 706 A CA 0.234 52.328 52.037 0.096 0.000 0.724 706 A CB -0.501 18.560 19.000 0.101 0.000 0.826 706 A HN 0.322 nan 8.150 nan 0.000 0.463 707 F N -0.623 119.345 119.950 0.030 0.000 2.118 707 F HA 0.026 4.553 4.527 0.000 0.000 0.293 707 F C 1.573 177.364 175.800 -0.016 0.000 1.102 707 F CA 1.292 59.292 58.000 0.000 0.000 1.247 707 F CB -0.160 38.792 39.000 -0.080 0.000 1.017 707 F HN 0.182 nan 8.300 nan 0.000 0.475 708 F N 0.178 120.140 119.950 0.020 0.000 2.641 708 F HA -0.061 4.466 4.527 0.000 0.000 0.298 708 F C 2.197 177.885 175.800 -0.186 0.000 1.146 708 F CA 0.684 58.616 58.000 -0.112 0.000 1.464 708 F CB -0.716 38.260 39.000 -0.040 0.000 1.101 708 F HN 0.065 nan 8.300 nan 0.000 0.585 709 I N -0.484 120.089 120.570 0.005 0.000 3.030 709 I HA -0.138 4.032 4.170 0.000 0.000 0.270 709 I C 2.554 178.584 176.117 -0.144 0.000 1.211 709 I CA 0.562 61.836 61.300 -0.042 0.000 1.479 709 I CB -0.108 37.892 38.000 0.001 0.000 1.105 709 I HN 0.041 nan 8.210 nan 0.000 0.447 710 R N 0.032 120.380 120.500 -0.252 0.000 2.127 710 R HA -0.046 4.294 4.340 0.000 0.000 0.217 710 R C 2.005 178.056 176.300 -0.416 0.000 1.074 710 R CA 0.922 56.826 56.100 -0.326 0.000 0.991 710 R CB 0.034 30.088 30.300 -0.410 0.000 0.895 710 R HN 0.167 nan 8.270 nan 0.000 0.450 711 V N 0.627 120.198 119.914 -0.572 0.000 2.407 711 V HA -0.186 3.935 4.120 0.000 0.000 0.248 711 V C 2.215 178.099 176.094 -0.351 0.000 1.055 711 V CA 1.412 63.386 62.300 -0.544 0.000 1.049 711 V CB 0.050 31.451 31.823 -0.704 0.000 0.662 711 V HN 0.192 nan 8.190 nan 0.000 0.455 712 V N 0.200 119.941 119.914 -0.289 0.000 2.591 712 V HA -0.066 4.054 4.120 0.000 0.000 0.249 712 V C 1.565 177.555 176.094 -0.173 0.000 1.053 712 V CA 1.436 63.602 62.300 -0.224 0.000 1.068 712 V CB -0.540 31.164 31.823 -0.198 0.000 0.689 712 V HN 0.568 nan 8.190 nan 0.000 0.462 713 N N 0.537 119.140 118.700 -0.163 0.000 2.295 713 N HA 0.086 4.826 4.740 0.000 0.000 0.221 713 N C 0.554 175.987 175.510 -0.129 0.000 1.129 713 N CA 0.210 53.185 53.050 -0.124 0.000 0.836 713 N CB 0.290 38.718 38.487 -0.099 0.000 1.040 713 N HN 0.596 nan 8.380 nan 0.000 0.494 714 S N -1.756 113.849 115.700 -0.157 0.000 2.693 714 S HA 0.331 4.801 4.470 0.000 0.000 0.276 714 S C 1.695 176.229 174.600 -0.111 0.000 1.192 714 S CA -0.746 57.368 58.200 -0.144 0.000 0.994 714 S CB 1.279 64.369 63.200 -0.184 0.000 1.012 714 S HN -0.147 nan 8.310 nan 0.000 0.550 715 V N 2.103 121.962 119.914 -0.091 0.000 2.215 715 V HA -0.292 3.828 4.120 0.000 0.000 0.249 715 V C 2.557 178.606 176.094 -0.075 0.000 1.054 715 V CA 2.545 64.802 62.300 -0.071 0.000 1.012 715 V CB -1.428 30.361 31.823 -0.057 0.000 0.639 715 V HN 0.870 nan 8.190 nan 0.000 0.448 716 N N -0.505 118.146 118.700 -0.082 0.000 2.020 716 N HA -0.291 4.449 4.740 0.000 0.000 0.200 716 N C 1.742 177.198 175.510 -0.090 0.000 1.054 716 N CA 2.369 55.370 53.050 -0.083 0.000 0.874 716 N CB -0.656 37.773 38.487 -0.097 0.000 1.075 716 N HN 0.356 nan 8.380 nan 0.000 0.446 717 M N 1.159 120.690 119.600 -0.115 0.000 2.151 717 M HA -0.171 4.309 4.480 0.000 0.000 0.256 717 M C 2.051 178.294 176.300 -0.096 0.000 1.072 717 M CA 1.782 57.009 55.300 -0.121 0.000 1.090 717 M CB -1.166 31.341 32.600 -0.155 0.000 1.294 717 M HN 0.179 nan 8.290 nan 0.000 0.415 718 T N 0.250 114.751 114.554 -0.089 0.000 2.737 718 T HA -0.180 4.170 4.350 0.000 0.000 0.269 718 T C 1.686 176.352 174.700 -0.057 0.000 1.040 718 T CA 1.687 63.744 62.100 -0.070 0.000 1.142 718 T CB -0.634 68.195 68.868 -0.065 0.000 0.861 718 T HN 0.574 nan 8.240 nan 0.000 0.456 719 A N 1.358 124.145 122.820 -0.055 0.000 1.874 719 A HA -0.006 4.314 4.320 0.000 0.000 0.214 719 A C 2.490 180.049 177.584 -0.043 0.000 1.189 719 A CA 1.809 53.819 52.037 -0.044 0.000 0.615 719 A CB -1.038 17.937 19.000 -0.041 0.000 0.830 719 A HN 0.616 nan 8.150 nan 0.000 0.443 720 T N -1.911 112.613 114.554 -0.050 0.000 2.975 720 T HA 0.131 4.481 4.350 0.000 0.000 0.220 720 T C 0.951 175.622 174.700 -0.048 0.000 1.011 720 T CA 0.457 62.529 62.100 -0.046 0.000 1.880 720 T CB -1.365 67.474 68.868 -0.049 0.000 1.348 720 T HN 0.202 nan 8.240 nan 0.000 0.415 721 V N 4.094 123.973 119.914 -0.060 0.000 2.923 721 V HA -0.099 4.021 4.120 0.000 0.000 0.286 721 V C 1.365 177.428 176.094 -0.052 0.000 1.376 721 V CA 0.136 62.399 62.300 -0.063 0.000 1.423 721 V CB -0.776 30.993 31.823 -0.090 0.000 0.865 721 V HN 0.782 nan 8.190 nan 0.000 0.514 722 N N 3.193 121.868 118.700 -0.042 0.000 2.178 722 N HA -0.079 4.661 4.740 0.000 0.000 0.217 722 N C 0.811 176.300 175.510 -0.035 0.000 1.342 722 N CA 0.562 53.593 53.050 -0.032 0.000 0.884 722 N CB 0.642 39.114 38.487 -0.024 0.000 1.105 722 N HN 0.881 nan 8.380 nan 0.000 0.444 723 D N -0.074 120.309 120.400 -0.028 0.000 2.255 723 D HA -0.120 4.520 4.640 0.000 0.000 0.224 723 D C 2.091 178.377 176.300 -0.022 0.000 0.997 723 D CA 1.725 55.709 54.000 -0.027 0.000 0.906 723 D CB -0.425 40.362 40.800 -0.022 0.000 1.047 723 D HN 0.546 nan 8.370 nan 0.000 0.458 724 L N -0.239 120.975 121.223 -0.015 0.000 2.129 724 L HA -0.046 4.294 4.340 0.000 0.000 0.212 724 L C 2.244 179.110 176.870 -0.005 0.000 1.087 724 L CA 2.369 57.204 54.840 -0.008 0.000 0.757 724 L CB -1.674 40.382 42.059 -0.005 0.000 0.896 724 L HN 0.080 nan 8.230 nan 0.000 0.434 725 T N -0.400 114.148 114.554 -0.010 0.000 2.737 725 T HA -0.191 4.159 4.350 0.000 0.000 0.265 725 T C 2.051 176.743 174.700 -0.012 0.000 1.038 725 T CA 1.539 63.636 62.100 -0.005 0.000 1.144 725 T CB -0.267 68.593 68.868 -0.013 0.000 0.866 725 T HN 0.520 nan 8.240 nan 0.000 0.434 726 R N 0.283 120.763 120.500 -0.033 0.000 2.200 726 R HA -0.061 4.279 4.340 0.000 0.000 0.234 726 R C 2.476 178.758 176.300 -0.030 0.000 1.127 726 R CA 1.418 57.488 56.100 -0.051 0.000 0.989 726 R CB -0.132 30.129 30.300 -0.065 0.000 0.869 726 R HN 0.323 nan 8.270 nan 0.000 0.459 727 R N -0.440 120.053 120.500 -0.013 0.000 2.062 727 R HA -0.041 4.299 4.340 0.000 0.000 0.229 727 R C 1.787 178.100 176.300 0.020 0.000 1.128 727 R CA 1.972 58.072 56.100 -0.001 0.000 0.960 727 R CB -0.383 29.917 30.300 0.000 0.000 0.855 727 R HN 0.111 nan 8.270 nan 0.000 0.432 728 T N 1.076 115.648 114.554 0.030 0.000 2.721 728 T HA -0.222 4.128 4.350 0.000 0.000 0.268 728 T C 1.734 176.498 174.700 0.106 0.000 1.038 728 T CA 1.960 64.095 62.100 0.058 0.000 1.145 728 T CB -0.143 68.761 68.868 0.061 0.000 0.858 728 T HN 0.269 nan 8.240 nan 0.000 0.459 729 M N 0.446 120.108 119.600 0.103 0.000 2.175 729 M HA -0.087 4.393 4.480 0.000 0.000 0.264 729 M C 2.542 178.934 176.300 0.153 0.000 1.063 729 M CA 1.245 56.646 55.300 0.169 0.000 1.119 729 M CB -0.409 32.169 32.600 -0.037 0.000 1.377 729 M HN 0.189 nan 8.290 nan 0.000 0.415 730 T N -0.116 114.477 114.554 0.065 0.000 2.777 730 T HA -0.075 4.275 4.350 0.000 0.000 0.266 730 T C 1.718 176.461 174.700 0.073 0.000 1.040 730 T CA 1.535 63.666 62.100 0.052 0.000 1.141 730 T CB -0.620 68.257 68.868 0.015 0.000 0.868 730 T HN 0.617 nan 8.240 nan 0.000 0.444 731 G N 0.893 109.734 108.800 0.067 0.000 2.404 731 G HA2 -0.152 3.808 3.960 0.000 0.000 0.215 731 G HA3 -0.152 3.808 3.960 0.000 0.000 0.215 731 G C 1.647 176.587 174.900 0.067 0.000 1.174 731 G CA 0.613 45.747 45.100 0.056 0.000 0.780 731 G HN 0.421 nan 8.290 nan 0.000 0.537 732 V N 0.812 120.789 119.914 0.104 0.000 2.867 732 V HA -0.131 3.989 4.120 0.000 0.000 0.260 732 V C 2.681 178.821 176.094 0.077 0.000 1.099 732 V CA 1.684 64.029 62.300 0.075 0.000 1.122 732 V CB -0.269 31.617 31.823 0.104 0.000 0.708 732 V HN 0.400 nan 8.190 nan 0.000 0.490 733 M N -1.495 118.201 119.600 0.159 0.000 2.557 733 M HA -0.043 4.437 4.480 0.000 0.000 0.262 733 M C 2.296 178.637 176.300 0.067 0.000 1.168 733 M CA 1.264 56.650 55.300 0.143 0.000 1.194 733 M CB -0.510 32.216 32.600 0.210 0.000 1.311 733 M HN 0.236 nan 8.290 nan 0.000 0.489 734 T N 1.611 116.202 114.554 0.061 0.000 2.699 734 T HA -0.172 4.178 4.350 0.000 0.000 0.268 734 T C 1.904 176.618 174.700 0.025 0.000 1.036 734 T CA 1.679 63.802 62.100 0.039 0.000 1.147 734 T CB -0.469 68.422 68.868 0.038 0.000 0.862 734 T HN 0.467 nan 8.240 nan 0.000 0.446 735 A N 1.672 124.505 122.820 0.021 0.000 1.859 735 A HA -0.197 4.123 4.320 0.000 0.000 0.217 735 A C 2.366 179.945 177.584 -0.009 0.000 1.198 735 A CA 2.129 54.170 52.037 0.007 0.000 0.629 735 A CB -0.861 18.137 19.000 -0.004 0.000 0.830 735 A HN 0.484 nan 8.150 nan 0.000 0.446 736 M N -0.737 118.852 119.600 -0.018 0.000 2.082 736 M HA -0.218 4.262 4.480 0.000 0.000 0.258 736 M C 2.164 178.429 176.300 -0.058 0.000 1.071 736 M CA 2.262 57.538 55.300 -0.039 0.000 1.103 736 M CB -0.455 32.130 32.600 -0.024 0.000 1.307 736 M HN 0.590 nan 8.290 nan 0.000 0.409 737 R N 0.664 121.137 120.500 -0.044 0.000 2.395 737 R HA -0.095 4.245 4.340 0.000 0.000 0.203 737 R C 0.814 177.054 176.300 -0.099 0.000 1.076 737 R CA 1.212 57.267 56.100 -0.076 0.000 1.059 737 R CB -0.388 29.891 30.300 -0.035 0.000 0.860 737 R HN 0.509 nan 8.270 nan 0.000 0.476 738 Q N -0.275 119.492 119.800 -0.054 0.000 2.064 738 Q HA 0.229 4.569 4.340 0.000 0.000 0.213 738 Q C -0.931 175.107 176.000 0.063 0.000 0.779 738 Q CA -0.330 55.488 55.803 0.025 0.000 1.032 738 Q CB 1.794 30.582 28.738 0.082 0.000 1.203 738 Q HN 0.111 nan 8.270 nan 0.000 0.457 739 V N 1.956 121.861 119.914 -0.014 0.000 2.686 739 V HA 0.062 4.182 4.120 0.000 0.000 0.295 739 V C 0.516 176.649 176.094 0.067 0.000 1.055 739 V CA 0.078 62.386 62.300 0.014 0.000 1.050 739 V CB 1.057 32.857 31.823 -0.038 0.000 0.984 739 V HN 0.144 nan 8.190 nan 0.000 0.482 740 K N 2.674 123.154 120.400 0.133 0.000 2.243 740 K HA 0.125 4.445 4.320 0.000 0.000 0.232 740 K C 0.369 177.024 176.600 0.092 0.000 1.237 740 K CA 0.015 56.430 56.287 0.214 0.000 1.161 740 K CB 0.061 32.642 32.500 0.134 0.000 1.505 740 K HN 0.746 nan 8.250 nan 0.000 0.271 741 T N 1.121 115.698 114.554 0.038 0.000 2.814 741 T HA 0.106 4.456 4.350 0.000 0.000 0.297 741 T C 0.954 175.672 174.700 0.029 0.000 0.956 741 T CA -0.512 61.576 62.100 -0.020 0.000 1.123 741 T CB 0.585 69.400 68.868 -0.088 0.000 0.902 741 T HN 0.434 nan 8.240 nan 0.000 0.528 742 M N 4.378 123.981 119.600 0.005 0.000 2.541 742 M HA 0.158 4.638 4.480 0.000 0.000 0.252 742 M C 1.964 178.336 176.300 0.122 0.000 1.125 742 M CA 1.184 56.510 55.300 0.044 0.000 1.091 742 M CB -0.319 32.269 32.600 -0.020 0.000 1.420 742 M HN 0.693 nan 8.290 nan 0.000 0.486 743 T N 1.541 116.110 114.554 0.025 0.000 2.708 743 T HA -0.040 4.310 4.350 0.000 0.000 0.266 743 T C -0.883 173.891 174.700 0.122 0.000 1.037 743 T CA 1.606 63.723 62.100 0.029 0.000 1.146 743 T CB -1.178 67.564 68.868 -0.209 0.000 0.865 743 T HN 0.293 nan 8.240 nan 0.000 0.435 744 P HA -0.129 nan 4.420 nan 0.000 0.216 744 P C 1.157 178.529 177.300 0.120 0.000 1.154 744 P CA 0.962 64.068 63.100 0.011 0.000 0.865 744 P CB -0.129 31.586 31.700 0.026 0.000 0.789 745 F N -1.230 118.795 119.950 0.124 0.000 2.031 745 F HA -0.234 4.293 4.527 0.000 0.000 0.295 745 F C 2.467 178.438 175.800 0.285 0.000 1.133 745 F CA 1.402 59.550 58.000 0.247 0.000 1.188 745 F CB -1.214 37.921 39.000 0.225 0.000 0.974 745 F HN -0.166 nan 8.300 nan 0.000 0.473 746 Y N 0.725 121.293 120.300 0.447 0.000 2.030 746 Y HA -0.338 4.212 4.550 0.000 0.000 0.272 746 Y C 2.123 178.164 175.900 0.235 0.000 1.185 746 Y CA 2.180 60.492 58.100 0.353 0.000 1.120 746 Y CB -0.808 37.832 38.460 0.299 0.000 0.955 746 Y HN 0.126 nan 8.280 nan 0.000 0.495 747 I N 0.747 121.476 120.570 0.265 0.000 2.800 747 I HA -0.267 3.903 4.170 0.000 0.000 0.266 747 I C 2.219 178.342 176.117 0.009 0.000 1.249 747 I CA 1.971 63.334 61.300 0.106 0.000 1.458 747 I CB -0.668 37.228 38.000 -0.174 0.000 1.093 747 I HN 0.655 nan 8.210 nan 0.000 0.466 748 Q N -2.377 117.368 119.800 -0.091 0.000 2.322 748 Q HA 0.050 4.390 4.340 0.000 0.000 0.250 748 Q C 1.514 177.290 176.000 -0.374 0.000 0.853 748 Q CA 0.295 55.982 55.803 -0.194 0.000 0.951 748 Q CB 0.099 28.639 28.738 -0.331 0.000 1.114 748 Q HN 0.443 nan 8.270 nan 0.000 0.523 749 H N -0.327 118.612 119.070 -0.218 0.000 2.311 749 H HA 0.272 4.828 4.556 0.000 0.000 0.289 749 H C 1.627 176.941 175.328 -0.022 0.000 1.022 749 H CA 0.956 56.891 56.048 -0.188 0.000 1.416 749 H CB -0.009 29.477 29.762 -0.458 0.000 1.480 749 H HN 0.196 nan 8.280 nan 0.000 0.609 750 M N 0.375 120.071 119.600 0.161 0.000 2.254 750 M HA -0.081 4.399 4.480 0.000 0.000 0.265 750 M C 2.671 178.963 176.300 -0.014 0.000 1.066 750 M CA 0.668 56.094 55.300 0.210 0.000 1.123 750 M CB -0.049 32.752 32.600 0.335 0.000 1.388 750 M HN 0.205 nan 8.290 nan 0.000 0.425 751 C N 1.108 120.162 119.300 -0.410 0.000 2.429 751 C HA -0.056 4.404 4.460 0.000 0.000 0.277 751 C C -0.289 174.715 174.990 0.024 0.000 1.262 751 C CA 0.993 59.859 59.018 -0.253 0.000 1.733 751 C CB -1.295 26.374 27.740 -0.118 0.000 2.010 751 C HN 0.305 nan 8.230 nan 0.000 0.483 752 P HA -0.068 nan 4.420 nan 0.000 0.216 752 P C 1.621 178.794 177.300 -0.212 0.000 1.150 752 P CA 1.964 65.085 63.100 0.035 0.000 0.837 752 P CB -0.200 31.587 31.700 0.145 0.000 0.786 753 T N -0.492 114.004 114.554 -0.095 0.000 2.701 753 T HA -0.151 4.199 4.350 0.000 0.000 0.263 753 T C 1.615 176.200 174.700 -0.192 0.000 1.040 753 T CA 1.348 63.372 62.100 -0.127 0.000 1.147 753 T CB -0.740 68.163 68.868 0.059 0.000 0.865 753 T HN 0.301 nan 8.240 nan 0.000 0.426 754 E N 0.617 120.735 120.200 -0.136 0.000 2.085 754 E HA -0.093 4.257 4.350 0.000 0.000 0.194 754 E C 2.209 178.780 176.600 -0.048 0.000 0.994 754 E CA 0.743 57.117 56.400 -0.044 0.000 0.801 754 E CB -0.148 29.607 29.700 0.092 0.000 0.743 754 E HN 0.214 nan 8.360 nan 0.000 0.453 755 L N 0.690 121.892 121.223 -0.036 0.000 2.056 755 L HA -0.150 4.190 4.340 0.000 0.000 0.207 755 L C 2.602 179.360 176.870 -0.188 0.000 1.078 755 L CA 1.473 56.294 54.840 -0.032 0.000 0.749 755 L CB -1.200 40.932 42.059 0.122 0.000 0.901 755 L HN 0.167 nan 8.230 nan 0.000 0.433 756 S N -0.526 114.955 115.700 -0.365 0.000 2.348 756 S HA -0.138 4.332 4.470 0.000 0.000 0.221 756 S C 2.047 176.523 174.600 -0.208 0.000 1.033 756 S CA 1.655 59.632 58.200 -0.372 0.000 1.010 756 S CB -0.151 62.714 63.200 -0.559 0.000 0.891 756 S HN 0.182 nan 8.310 nan 0.000 0.442 757 V N 1.709 121.445 119.914 -0.297 0.000 2.427 757 V HA -0.024 4.096 4.120 0.000 0.000 0.248 757 V C 2.343 178.252 176.094 -0.308 0.000 1.051 757 V CA 1.533 63.610 62.300 -0.372 0.000 1.048 757 V CB -0.608 30.614 31.823 -1.002 0.000 0.666 757 V HN 0.479 nan 8.190 nan 0.000 0.456 758 L N 0.101 121.166 121.223 -0.262 0.000 2.552 758 L HA 0.073 4.413 4.340 0.000 0.000 0.227 758 L C 2.060 178.851 176.870 -0.132 0.000 1.146 758 L CA 0.684 55.429 54.840 -0.159 0.000 0.858 758 L CB -0.333 41.697 42.059 -0.048 0.000 0.969 758 L HN 0.333 nan 8.230 nan 0.000 0.451 759 A N -1.900 120.834 122.820 -0.143 0.000 2.359 759 A HA 0.164 4.484 4.320 0.000 0.000 0.240 759 A C 1.776 179.322 177.584 -0.062 0.000 1.306 759 A CA 0.451 52.389 52.037 -0.166 0.000 0.898 759 A CB -0.025 18.745 19.000 -0.383 0.000 0.956 759 A HN 0.282 nan 8.150 nan 0.000 0.497 760 S N -1.790 113.864 115.700 -0.077 0.000 3.019 760 S HA 0.000 4.470 4.470 0.000 0.000 0.258 760 S C 1.838 176.314 174.600 -0.207 0.000 1.082 760 S CA 0.722 58.881 58.200 -0.069 0.000 0.836 760 S CB -0.165 63.034 63.200 -0.002 0.000 0.834 760 S HN 0.809 nan 8.310 nan 0.000 0.457 761 V N 2.760 122.474 119.914 -0.333 0.000 2.407 761 V HA -0.022 4.098 4.120 0.000 0.000 0.248 761 V C 1.110 177.094 176.094 -0.183 0.000 1.055 761 V CA 1.504 63.597 62.300 -0.345 0.000 1.049 761 V CB -2.082 29.528 31.823 -0.354 0.000 0.662 761 V HN 0.574 nan 8.190 nan 0.000 0.455 762 T N -1.032 113.452 114.554 -0.117 0.000 2.923 762 T HA 0.070 4.420 4.350 0.000 0.000 0.304 762 T C 0.790 175.456 174.700 -0.058 0.000 1.044 762 T CA 0.669 62.739 62.100 -0.050 0.000 1.141 762 T CB 1.081 69.964 68.868 0.024 0.000 1.023 762 T HN 0.460 nan 8.240 nan 0.000 0.533 763 V N 2.494 122.374 119.914 -0.058 0.000 3.541 763 V HA 0.149 4.269 4.120 0.000 0.000 0.272 763 V C 0.531 176.558 176.094 -0.112 0.000 1.215 763 V CA 1.037 63.293 62.300 -0.074 0.000 1.176 763 V CB -1.082 30.704 31.823 -0.061 0.000 0.854 763 V HN 1.145 nan 8.190 nan 0.000 0.496 764 T N 1.137 115.629 114.554 -0.102 0.000 3.395 764 T HA 0.340 4.690 4.350 0.000 0.000 0.330 764 T C -2.833 171.865 174.700 -0.003 0.000 1.076 764 T CA -0.618 61.377 62.100 -0.175 0.000 1.070 764 T CB 2.098 70.788 68.868 -0.297 0.000 1.119 764 T HN 0.026 nan 8.240 nan 0.000 0.462 765 P HA 0.176 nan 4.420 nan 0.000 0.268 765 P C -2.457 174.943 177.300 0.166 0.000 1.208 765 P CA -1.012 62.125 63.100 0.062 0.000 0.777 765 P CB -0.119 31.619 31.700 0.064 0.000 0.875 766 P HA 0.029 nan 4.420 nan 0.000 0.268 766 P C -1.019 176.352 177.300 0.119 0.000 1.205 766 P CA 0.350 63.389 63.100 -0.102 0.000 0.771 766 P CB 0.185 31.641 31.700 -0.408 0.000 0.858 767 F N 3.339 123.322 119.950 0.056 0.000 2.451 767 F HA 0.343 4.870 4.527 0.000 0.000 0.367 767 F C -0.162 175.664 175.800 0.042 0.000 1.100 767 F CA -0.483 57.568 58.000 0.085 0.000 1.171 767 F CB 0.894 39.972 39.000 0.130 0.000 1.405 767 F HN 0.238 nan 8.300 nan 0.000 0.482 768 Q N 2.692 122.312 119.800 -0.299 0.000 2.248 768 Q HA 0.773 5.113 4.340 0.000 0.000 0.263 768 Q C -1.338 174.395 176.000 -0.446 0.000 1.007 768 Q CA -1.201 54.370 55.803 -0.387 0.000 0.877 768 Q CB 3.117 31.648 28.738 -0.344 0.000 1.315 768 Q HN 0.364 nan 8.270 nan 0.000 0.454 769 V N 2.484 122.063 119.914 -0.558 0.000 2.588 769 V HA 0.323 4.443 4.120 0.000 0.000 0.304 769 V C -2.392 173.320 176.094 -0.638 0.000 1.042 769 V CA -2.181 59.715 62.300 -0.672 0.000 0.877 769 V CB 1.693 33.010 31.823 -0.843 0.000 0.996 769 V HN 0.711 nan 8.190 nan 0.000 0.425 770 P HA -0.113 nan 4.420 nan 0.000 0.257 770 P C -0.567 176.573 177.300 -0.267 0.000 1.144 770 P CA 0.819 63.714 63.100 -0.343 0.000 0.761 770 P CB -0.088 31.485 31.700 -0.211 0.000 0.734 771 F N 2.038 121.881 119.950 -0.179 0.000 2.472 771 F HA 0.083 4.610 4.527 0.000 0.000 0.364 771 F C 1.145 176.856 175.800 -0.148 0.000 1.090 771 F CA -0.143 57.751 58.000 -0.177 0.000 1.188 771 F CB 0.485 39.341 39.000 -0.240 0.000 1.105 771 F HN 0.119 nan 8.300 nan 0.000 0.536 772 T N 4.974 119.587 114.554 0.098 0.000 3.016 772 T HA 0.099 4.449 4.350 0.000 0.000 0.335 772 T C 0.703 175.390 174.700 -0.021 0.000 1.176 772 T CA -0.660 61.450 62.100 0.017 0.000 0.987 772 T CB -0.003 68.870 68.868 0.008 0.000 1.073 772 T HN 0.345 nan 8.240 nan 0.000 0.547 773 R N 4.139 124.612 120.500 -0.045 0.000 4.330 773 R HA -0.026 4.314 4.340 0.000 0.000 0.161 773 R C 0.073 176.313 176.300 -0.101 0.000 1.942 773 R CA -0.042 56.019 56.100 -0.065 0.000 1.438 773 R CB -1.485 28.776 30.300 -0.066 0.000 1.348 773 R HN 0.621 nan 8.270 nan 0.000 0.793 774 L N 0.300 121.447 121.223 -0.126 0.000 4.021 774 L HA -0.203 4.137 4.340 0.000 0.000 0.400 774 L C -0.812 176.090 176.870 0.053 0.000 1.180 774 L CA 0.598 55.392 54.840 -0.076 0.000 0.904 774 L CB -1.802 40.140 42.059 -0.195 0.000 2.111 774 L HN 0.091 nan 8.230 nan 0.000 0.722 775 V N 0.635 120.576 119.914 0.045 0.000 2.247 775 V HA 0.177 4.297 4.120 0.000 0.000 0.262 775 V C 1.626 177.704 176.094 -0.027 0.000 1.096 775 V CA -0.442 61.866 62.300 0.013 0.000 0.895 775 V CB 1.207 33.021 31.823 -0.015 0.000 1.141 775 V HN 0.383 nan 8.190 nan 0.000 0.478 776 Q N 3.419 123.188 119.800 -0.051 0.000 2.293 776 Q HA -0.364 3.976 4.340 0.000 0.000 0.223 776 Q C 1.765 177.589 176.000 -0.293 0.000 1.087 776 Q CA 3.029 58.630 55.803 -0.337 0.000 0.966 776 Q CB -0.352 28.268 28.738 -0.197 0.000 1.076 776 Q HN 0.863 nan 8.270 nan 0.000 0.488 777 N N -0.180 118.469 118.700 -0.084 0.000 2.331 777 N HA -0.103 4.637 4.740 0.000 0.000 0.180 777 N C 0.194 175.715 175.510 0.018 0.000 1.019 777 N CA 0.841 53.910 53.050 0.031 0.000 0.881 777 N CB 0.106 38.599 38.487 0.010 0.000 0.972 777 N HN 0.278 nan 8.380 nan 0.000 0.435 778 D N 0.699 121.089 120.400 -0.016 0.000 2.434 778 D HA 0.053 4.693 4.640 0.000 0.000 0.232 778 D C -0.352 175.949 176.300 0.002 0.000 1.166 778 D CA 0.082 54.085 54.000 0.005 0.000 0.830 778 D CB 0.189 40.993 40.800 0.007 0.000 0.960 778 D HN -0.024 nan 8.370 nan 0.000 0.497 779 V N 2.177 122.071 119.914 -0.033 0.000 2.508 779 V HA 0.023 4.143 4.120 0.000 0.000 0.281 779 V C 0.741 176.841 176.094 0.011 0.000 1.041 779 V CA -0.478 61.788 62.300 -0.058 0.000 1.016 779 V CB 1.297 33.002 31.823 -0.197 0.000 0.984 779 V HN 0.100 nan 8.190 nan 0.000 0.478 780 I N 6.099 126.687 120.570 0.030 0.000 2.311 780 I HA 0.071 4.241 4.170 0.000 0.000 0.297 780 I C 1.776 177.941 176.117 0.080 0.000 1.131 780 I CA 0.290 61.634 61.300 0.074 0.000 1.289 780 I CB 0.143 38.163 38.000 0.032 0.000 1.446 780 I HN 0.832 nan 8.210 nan 0.000 0.524 781 T N 2.409 117.010 114.554 0.079 0.000 2.857 781 T HA 0.005 4.355 4.350 0.000 0.000 0.266 781 T C 0.831 175.588 174.700 0.095 0.000 1.048 781 T CA 0.692 62.843 62.100 0.084 0.000 1.139 781 T CB 0.102 69.007 68.868 0.062 0.000 0.874 781 T HN 0.517 nan 8.240 nan 0.000 0.455 782 N N 0.359 119.111 118.700 0.088 0.000 2.336 782 N HA 0.422 5.162 4.740 0.000 0.000 0.290 782 N C -2.000 173.579 175.510 0.116 0.000 1.058 782 N CA -0.478 52.633 53.050 0.102 0.000 0.865 782 N CB 2.956 41.488 38.487 0.075 0.000 1.581 782 N HN -0.002 nan 8.380 nan 0.000 0.480 783 V N 3.453 123.471 119.914 0.173 0.000 2.277 783 V HA 0.351 4.471 4.120 0.000 0.000 0.269 783 V C -0.295 175.986 176.094 0.311 0.000 1.036 783 V CA -0.517 61.910 62.300 0.212 0.000 0.821 783 V CB 0.317 32.308 31.823 0.278 0.000 1.052 783 V HN 0.415 nan 8.190 nan 0.000 0.462 784 L N 5.420 126.770 121.223 0.212 0.000 2.352 784 L HA 0.764 5.104 4.340 0.000 0.000 0.269 784 L C 0.107 177.144 176.870 0.278 0.000 1.034 784 L CA -0.392 54.544 54.840 0.161 0.000 0.806 784 L CB 1.559 43.681 42.059 0.106 0.000 1.244 784 L HN 0.269 nan 8.230 nan 0.000 0.447 785 V N -0.530 119.491 119.914 0.178 0.000 3.126 785 V HA 0.953 5.073 4.120 0.000 0.000 0.314 785 V C -0.623 175.591 176.094 0.201 0.000 1.138 785 V CA -0.832 61.607 62.300 0.232 0.000 1.034 785 V CB 1.968 33.813 31.823 0.037 0.000 1.075 785 V HN 0.884 nan 8.190 nan 0.000 0.442 786 A N 1.086 123.950 122.820 0.073 0.000 2.381 786 A HA 0.673 4.993 4.320 0.000 0.000 0.299 786 A C 0.259 177.768 177.584 -0.126 0.000 1.049 786 A CA -0.558 51.354 52.037 -0.209 0.000 0.715 786 A CB 1.523 20.133 19.000 -0.650 0.000 1.222 786 A HN 0.803 nan 8.150 nan 0.000 0.428 787 R N 1.255 121.655 120.500 -0.167 0.000 2.066 787 R HA 0.121 4.461 4.340 0.000 0.000 0.224 787 R C 0.849 177.108 176.300 -0.068 0.000 1.122 787 R CA 1.117 57.102 56.100 -0.193 0.000 0.974 787 R CB 0.082 30.097 30.300 -0.475 0.000 0.871 787 R HN 0.513 nan 8.270 nan 0.000 0.435 788 V N 2.164 122.066 119.914 -0.020 0.000 3.109 788 V HA 0.115 4.235 4.120 0.000 0.000 0.317 788 V C -1.306 174.809 176.094 0.035 0.000 1.074 788 V CA -0.810 61.527 62.300 0.061 0.000 1.033 788 V CB 1.763 33.651 31.823 0.109 0.000 1.111 788 V HN 0.372 nan 8.190 nan 0.000 0.458 789 D N 3.350 123.800 120.400 0.084 0.000 2.177 789 D HA 0.448 5.088 4.640 0.000 0.000 0.247 789 D C -2.528 173.805 176.300 0.056 0.000 1.063 789 D CA -2.158 51.890 54.000 0.080 0.000 0.867 789 D CB 1.568 42.445 40.800 0.129 0.000 1.168 789 D HN 0.255 nan 8.370 nan 0.000 0.445 790 P HA 0.122 nan 4.420 nan 0.000 0.256 790 P C 0.271 177.603 177.300 0.053 0.000 1.335 790 P CA 0.287 63.427 63.100 0.066 0.000 0.808 790 P CB 0.350 32.115 31.700 0.109 0.000 1.305 791 A N -0.554 122.292 122.820 0.043 0.000 1.862 791 A HA -0.103 4.217 4.320 0.000 0.000 0.211 791 A C 2.090 179.661 177.584 -0.022 0.000 1.220 791 A CA 0.940 52.986 52.037 0.015 0.000 0.616 791 A CB -0.740 18.265 19.000 0.009 0.000 0.878 791 A HN 0.005 nan 8.150 nan 0.000 0.453 792 Q N 0.873 120.643 119.800 -0.051 0.000 2.030 792 Q HA -0.128 4.212 4.340 0.000 0.000 0.204 792 Q C 0.884 176.858 176.000 -0.042 0.000 0.986 792 Q CA 1.435 57.189 55.803 -0.081 0.000 0.843 792 Q CB -0.616 28.049 28.738 -0.121 0.000 0.904 792 Q HN 0.811 nan 8.270 nan 0.000 0.420 793 R N 0.428 120.918 120.500 -0.016 0.000 2.438 793 R HA 0.490 4.830 4.340 0.000 0.000 0.287 793 R C 0.448 176.747 176.300 -0.002 0.000 1.077 793 R CA 0.162 56.258 56.100 -0.007 0.000 1.034 793 R CB 0.088 30.392 30.300 0.007 0.000 0.993 793 R HN 0.010 nan 8.270 nan 0.000 0.459 794 G N 2.035 110.832 108.800 -0.005 0.000 2.687 794 G HA2 -0.030 3.930 3.960 0.000 0.000 0.288 794 G HA3 -0.030 3.930 3.960 0.000 0.000 0.288 794 G C -0.431 174.474 174.900 0.009 0.000 0.713 794 G CA -0.162 44.938 45.100 -0.000 0.000 2.023 794 G HN 0.720 nan 8.290 nan 0.000 0.529 795 D N 1.151 121.562 120.400 0.019 0.000 2.582 795 D HA 0.248 4.888 4.640 0.000 0.000 0.246 795 D C 2.028 178.352 176.300 0.041 0.000 1.334 795 D CA 0.287 54.305 54.000 0.030 0.000 0.805 795 D CB 0.620 41.444 40.800 0.040 0.000 1.087 795 D HN 0.318 nan 8.370 nan 0.000 0.499 796 A N 0.514 123.354 122.820 0.033 0.000 1.917 796 A HA -0.078 4.242 4.320 0.000 0.000 0.219 796 A C 2.143 179.746 177.584 0.032 0.000 1.182 796 A CA 2.229 54.289 52.037 0.038 0.000 0.633 796 A CB -0.276 18.740 19.000 0.027 0.000 0.819 796 A HN 0.267 nan 8.150 nan 0.000 0.448 797 A N -0.210 122.623 122.820 0.021 0.000 1.887 797 A HA 0.340 4.660 4.320 0.000 0.000 0.212 797 A C 1.315 178.906 177.584 0.012 0.000 1.198 797 A CA 0.666 52.710 52.037 0.012 0.000 0.628 797 A CB -1.479 17.524 19.000 0.005 0.000 0.847 797 A HN 1.194 nan 8.150 nan 0.000 0.449 798 V N 1.318 121.242 119.914 0.017 0.000 2.832 798 V HA 0.036 4.156 4.120 0.000 0.000 0.299 798 V C 0.159 176.266 176.094 0.021 0.000 1.201 798 V CA -0.413 61.897 62.300 0.017 0.000 1.325 798 V CB -0.608 31.230 31.823 0.024 0.000 0.871 798 V HN 0.661 nan 8.190 nan 0.000 0.509 799 D N 4.088 124.494 120.400 0.009 0.000 2.449 799 D HA -0.071 4.569 4.640 0.000 0.000 0.236 799 D C 1.105 177.415 176.300 0.017 0.000 1.149 799 D CA -0.403 53.597 54.000 -0.000 0.000 0.878 799 D CB 1.050 41.843 40.800 -0.011 0.000 1.198 799 D HN 0.418 nan 8.370 nan 0.000 0.446 800 I N 1.921 122.483 120.570 -0.014 0.000 2.208 800 I HA -0.244 3.926 4.170 0.000 0.000 0.245 800 I C 2.592 178.717 176.117 0.013 0.000 1.097 800 I CA 1.136 62.417 61.300 -0.032 0.000 1.363 800 I CB -0.786 37.128 38.000 -0.143 0.000 1.051 800 I HN 0.548 nan 8.210 nan 0.000 0.413 801 R N 0.366 120.867 120.500 0.002 0.000 2.249 801 R HA -0.116 4.224 4.340 0.000 0.000 0.230 801 R C 1.872 178.203 176.300 0.052 0.000 1.121 801 R CA 1.381 57.496 56.100 0.026 0.000 0.997 801 R CB -0.066 30.244 30.300 0.017 0.000 0.867 801 R HN 0.400 nan 8.270 nan 0.000 0.465 802 A N -1.419 121.436 122.820 0.057 0.000 2.343 802 A HA 0.048 4.368 4.320 0.000 0.000 0.223 802 A C 1.565 179.197 177.584 0.079 0.000 1.214 802 A CA 0.610 52.679 52.037 0.054 0.000 0.900 802 A CB 0.220 19.239 19.000 0.031 0.000 0.942 802 A HN 0.398 nan 8.150 nan 0.000 0.507 803 T N -3.497 111.148 114.554 0.151 0.000 2.990 803 T HA 0.273 4.623 4.350 0.000 0.000 0.250 803 T C 0.466 175.268 174.700 0.171 0.000 1.041 803 T CA 0.214 62.417 62.100 0.172 0.000 1.010 803 T CB -0.162 68.840 68.868 0.222 0.000 1.003 803 T HN 0.356 nan 8.240 nan 0.000 0.499 804 H N 0.843 119.948 119.070 0.058 0.000 2.710 804 H HA 0.803 5.359 4.556 0.000 0.000 0.361 804 H C -0.166 175.184 175.328 0.037 0.000 1.175 804 H CA -0.638 55.447 56.048 0.062 0.000 1.206 804 H CB 1.368 31.164 29.762 0.057 0.000 1.750 804 H HN 0.360 nan 8.280 nan 0.000 0.553 805 A N 0.757 123.647 122.820 0.117 0.000 2.340 805 A HA 0.513 4.833 4.320 0.000 0.000 0.268 805 A C -0.363 177.180 177.584 -0.068 0.000 1.100 805 A CA -0.411 51.635 52.037 0.014 0.000 0.803 805 A CB 0.143 19.117 19.000 -0.044 0.000 1.043 805 A HN 0.685 nan 8.150 nan 0.000 0.488 806 T N 2.493 117.015 114.554 -0.053 0.000 2.809 806 T HA 0.417 4.767 4.350 0.000 0.000 0.296 806 T C -0.396 174.305 174.700 0.002 0.000 1.015 806 T CA 0.004 62.092 62.100 -0.020 0.000 0.954 806 T CB -0.178 68.726 68.868 0.061 0.000 0.950 806 T HN 0.360 nan 8.240 nan 0.000 0.450 807 F N 2.245 122.280 119.950 0.142 0.000 2.612 807 F HA 0.257 4.784 4.527 0.000 0.000 0.389 807 F C 1.096 176.965 175.800 0.116 0.000 1.055 807 F CA -0.257 57.820 58.000 0.128 0.000 1.232 807 F CB 0.315 39.413 39.000 0.164 0.000 1.044 807 F HN 0.587 nan 8.300 nan 0.000 0.560 808 A N 4.111 127.099 122.820 0.281 0.000 2.842 808 A HA 0.741 5.061 4.320 0.000 0.000 0.339 808 A C -0.536 177.150 177.584 0.170 0.000 1.177 808 A CA -0.315 51.837 52.037 0.192 0.000 0.797 808 A CB 0.168 19.248 19.000 0.133 0.000 1.094 808 A HN 0.819 nan 8.150 nan 0.000 0.474 809 A N 1.271 124.196 122.820 0.175 0.000 2.411 809 A HA 0.803 5.123 4.320 0.000 0.000 0.285 809 A C -0.202 177.457 177.584 0.124 0.000 1.129 809 A CA 0.233 52.350 52.037 0.133 0.000 0.736 809 A CB 0.748 19.821 19.000 0.121 0.000 1.186 809 A HN 1.914 nan 8.150 nan 0.000 0.445 810 A N 2.941 125.826 122.820 0.108 0.000 2.371 810 A HA 0.777 5.097 4.320 0.000 0.000 0.311 810 A C -0.752 176.888 177.584 0.093 0.000 1.068 810 A CA -0.472 51.630 52.037 0.109 0.000 0.744 810 A CB 0.876 19.941 19.000 0.109 0.000 1.239 810 A HN 0.812 nan 8.150 nan 0.000 0.435 811 L N 3.290 124.570 121.223 0.095 0.000 2.309 811 L HA 0.468 4.808 4.340 0.000 0.000 0.282 811 L C -2.084 174.836 176.870 0.084 0.000 1.036 811 L CA -1.864 53.024 54.840 0.080 0.000 0.806 811 L CB 1.991 44.093 42.059 0.072 0.000 1.220 811 L HN 0.505 nan 8.230 nan 0.000 0.429 812 P HA 0.167 nan 4.420 nan 0.000 0.234 812 P C -0.326 177.019 177.300 0.074 0.000 1.799 812 P CA -0.230 62.921 63.100 0.085 0.000 1.118 812 P CB 0.726 32.474 31.700 0.079 0.000 1.827 813 V N 2.802 122.760 119.914 0.073 0.000 2.924 813 V HA 0.098 4.218 4.120 0.000 0.000 0.305 813 V C 0.780 176.905 176.094 0.052 0.000 1.073 813 V CA 0.311 62.640 62.300 0.048 0.000 1.098 813 V CB 0.692 32.537 31.823 0.037 0.000 1.000 813 V HN 0.401 nan 8.190 nan 0.000 0.484 814 D N 3.580 123.991 120.400 0.018 0.000 2.303 814 D HA 0.395 5.035 4.640 0.000 0.000 0.236 814 D C -1.825 174.461 176.300 -0.023 0.000 1.068 814 D CA -2.135 51.870 54.000 0.009 0.000 0.830 814 D CB 2.230 43.024 40.800 -0.011 0.000 1.109 814 D HN 0.135 nan 8.370 nan 0.000 0.496 815 P HA -0.175 nan 4.420 nan 0.000 0.216 815 P C 0.905 178.138 177.300 -0.112 0.000 1.150 815 P CA 1.776 64.861 63.100 -0.025 0.000 0.843 815 P CB 0.180 31.880 31.700 -0.001 0.000 0.787 816 A N 0.288 123.036 122.820 -0.120 0.000 1.842 816 A HA -0.228 4.092 4.320 0.000 0.000 0.217 816 A C 2.362 179.762 177.584 -0.306 0.000 1.206 816 A CA 2.775 54.668 52.037 -0.239 0.000 0.630 816 A CB -1.766 17.148 19.000 -0.143 0.000 0.839 816 A HN 0.196 nan 8.150 nan 0.000 0.447 817 A N -0.064 122.600 122.820 -0.260 0.000 1.859 817 A HA -0.201 4.119 4.320 0.000 0.000 0.218 817 A C 2.018 179.445 177.584 -0.261 0.000 1.209 817 A CA 2.114 53.947 52.037 -0.340 0.000 0.639 817 A CB -0.877 17.949 19.000 -0.291 0.000 0.835 817 A HN 0.493 nan 8.150 nan 0.000 0.450 818 I N -0.330 120.156 120.570 -0.141 0.000 2.148 818 I HA -0.316 3.854 4.170 0.000 0.000 0.229 818 I C 2.547 178.573 176.117 -0.152 0.000 0.993 818 I CA 1.968 63.239 61.300 -0.049 0.000 1.295 818 I CB -1.779 36.226 38.000 0.008 0.000 1.004 818 I HN 0.207 nan 8.210 nan 0.000 0.386 819 V N 0.642 120.429 119.914 -0.211 0.000 2.222 819 V HA -0.330 3.790 4.120 0.000 0.000 0.252 819 V C 2.690 178.589 176.094 -0.326 0.000 1.060 819 V CA 2.194 64.316 62.300 -0.297 0.000 1.027 819 V CB -0.822 30.679 31.823 -0.537 0.000 0.644 819 V HN 0.295 nan 8.190 nan 0.000 0.448 820 V N -0.292 119.402 119.914 -0.368 0.000 2.363 820 V HA -0.360 3.760 4.120 0.000 0.000 0.254 820 V C 2.434 178.423 176.094 -0.174 0.000 1.074 820 V CA 2.397 64.543 62.300 -0.257 0.000 1.069 820 V CB -1.097 30.593 31.823 -0.221 0.000 0.659 820 V HN 0.629 nan 8.190 nan 0.000 0.455 821 A N -0.904 121.776 122.820 -0.232 0.000 1.838 821 A HA -0.137 4.183 4.320 0.000 0.000 0.215 821 A C 2.219 179.481 177.584 -0.537 0.000 1.273 821 A CA 1.665 53.483 52.037 -0.364 0.000 0.602 821 A CB -0.715 17.958 19.000 -0.545 0.000 0.934 821 A HN 0.430 nan 8.150 nan 0.000 0.461 822 M N -0.958 118.257 119.600 -0.642 0.000 2.622 822 M HA -0.268 4.212 4.480 0.000 0.000 0.257 822 M C 1.520 177.634 176.300 -0.309 0.000 1.047 822 M CA 2.639 57.661 55.300 -0.464 0.000 1.054 822 M CB -0.398 32.082 32.600 -0.199 0.000 1.295 822 M HN 0.346 nan 8.290 nan 0.000 0.462 823 L N 0.143 121.221 121.223 -0.242 0.000 2.718 823 L HA 0.123 4.463 4.340 0.000 0.000 0.242 823 L C -0.081 176.685 176.870 -0.174 0.000 1.203 823 L CA 0.215 54.944 54.840 -0.185 0.000 1.011 823 L CB 0.107 42.067 42.059 -0.165 0.000 1.250 823 L HN 0.588 nan 8.230 nan 0.000 0.437 824 C N -0.190 118.991 119.300 -0.199 0.000 2.839 824 C HA 0.553 5.013 4.460 0.000 0.000 0.252 824 C C 0.495 175.380 174.990 -0.176 0.000 1.530 824 C CA -0.397 58.525 59.018 -0.159 0.000 1.016 824 C CB -1.106 26.553 27.740 -0.134 0.000 1.935 824 C HN 0.557 nan 8.230 nan 0.000 0.674 825 G N 1.908 110.599 108.800 -0.183 0.000 2.372 825 G HA2 0.615 4.575 3.960 0.000 0.000 0.323 825 G HA3 0.615 4.575 3.960 0.000 0.000 0.323 825 G C -0.848 173.983 174.900 -0.115 0.000 1.152 825 G CA -0.070 44.921 45.100 -0.181 0.000 0.906 825 G HN 0.831 nan 8.290 nan 0.000 0.460 826 Q N 0.678 120.413 119.800 -0.108 0.000 2.413 826 Q HA 0.774 5.114 4.340 0.000 0.000 0.276 826 Q C -0.859 175.089 176.000 -0.086 0.000 1.099 826 Q CA -0.811 54.941 55.803 -0.085 0.000 0.814 826 Q CB 2.249 30.941 28.738 -0.077 0.000 1.379 826 Q HN 0.356 nan 8.270 nan 0.000 0.436 827 T N 0.486 114.989 114.554 -0.084 0.000 2.768 827 T HA 0.299 4.649 4.350 0.000 0.000 0.268 827 T C -0.938 173.713 174.700 -0.082 0.000 0.969 827 T CA -0.636 61.409 62.100 -0.091 0.000 1.008 827 T CB 0.931 69.737 68.868 -0.103 0.000 1.371 827 T HN 0.686 nan 8.240 nan 0.000 0.587 828 E N 1.338 121.488 120.200 -0.082 0.000 2.001 828 E HA 0.287 4.637 4.350 0.000 0.000 0.279 828 E C 0.932 177.494 176.600 -0.063 0.000 1.045 828 E CA -0.085 56.279 56.400 -0.060 0.000 0.833 828 E CB -0.291 29.385 29.700 -0.039 0.000 1.077 828 E HN 0.557 nan 8.360 nan 0.000 0.397 829 T N 3.007 117.524 114.554 -0.062 0.000 2.731 829 T HA -0.289 4.061 4.350 0.000 0.000 0.263 829 T C 0.698 175.360 174.700 -0.063 0.000 1.033 829 T CA 2.108 64.169 62.100 -0.065 0.000 1.160 829 T CB -0.516 68.319 68.868 -0.054 0.000 0.849 829 T HN 0.631 nan 8.240 nan 0.000 0.469 830 N N 1.884 120.554 118.700 -0.049 0.000 2.801 830 N HA 0.434 5.174 4.740 0.000 0.000 0.235 830 N C -0.998 174.492 175.510 -0.034 0.000 1.069 830 N CA -0.513 52.511 53.050 -0.044 0.000 0.946 830 N CB 0.980 39.446 38.487 -0.036 0.000 1.212 830 N HN 0.398 nan 8.380 nan 0.000 0.509 831 L N 0.928 122.125 121.223 -0.044 0.000 2.464 831 L HA 0.600 4.940 4.340 0.000 0.000 0.266 831 L C -1.650 175.205 176.870 -0.024 0.000 0.965 831 L CA -0.761 54.064 54.840 -0.025 0.000 0.833 831 L CB 1.764 43.787 42.059 -0.060 0.000 1.296 831 L HN 0.162 nan 8.230 nan 0.000 0.405 832 I N 6.792 127.378 120.570 0.028 0.000 2.306 832 I HA 0.307 4.477 4.170 0.000 0.000 0.288 832 I C -1.664 174.473 176.117 0.033 0.000 1.036 832 I CA -2.022 59.298 61.300 0.035 0.000 1.221 832 I CB 1.203 39.243 38.000 0.067 0.000 1.385 832 I HN 0.541 nan 8.210 nan 0.000 0.472 833 P HA -0.243 nan 4.420 nan 0.000 0.214 833 P C 1.869 179.088 177.300 -0.134 0.000 1.172 833 P CA 2.200 65.228 63.100 -0.119 0.000 0.925 833 P CB 0.204 31.906 31.700 0.003 0.000 0.793 834 S N -1.533 114.192 115.700 0.042 0.000 2.359 834 S HA -0.326 4.144 4.470 0.000 0.000 0.223 834 S C 2.013 176.676 174.600 0.105 0.000 1.039 834 S CA 1.964 60.241 58.200 0.129 0.000 1.042 834 S CB -1.900 61.382 63.200 0.135 0.000 0.915 834 S HN 0.206 nan 8.310 nan 0.000 0.439 835 H N 1.841 120.918 119.070 0.012 0.000 2.265 835 H HA -0.228 4.328 4.556 0.000 0.000 0.293 835 H C 2.233 177.547 175.328 -0.022 0.000 1.089 835 H CA 2.466 58.514 56.048 0.000 0.000 1.244 835 H CB -1.012 28.746 29.762 -0.007 0.000 1.355 835 H HN 0.680 nan 8.280 nan 0.000 0.485 836 H N -0.540 118.386 119.070 -0.240 0.000 2.489 836 H HA -0.173 4.383 4.556 0.000 0.000 0.295 836 H C 1.484 176.621 175.328 -0.318 0.000 1.082 836 H CA 1.903 57.752 56.048 -0.331 0.000 1.295 836 H CB -0.299 29.292 29.762 -0.285 0.000 1.380 836 H HN 0.608 nan 8.280 nan 0.000 0.548 837 Y N -0.526 119.676 120.300 -0.162 0.000 2.230 837 Y HA 0.004 4.554 4.550 0.000 0.000 0.294 837 Y C 2.974 178.620 175.900 -0.423 0.000 1.120 837 Y CA 0.181 58.017 58.100 -0.439 0.000 1.129 837 Y CB -0.187 38.160 38.460 -0.188 0.000 1.040 837 Y HN 0.254 nan 8.280 nan 0.000 0.519 838 G N 0.471 109.274 108.800 0.004 0.000 2.581 838 G HA2 -0.336 3.624 3.960 0.000 0.000 0.223 838 G HA3 -0.336 3.624 3.960 0.000 0.000 0.223 838 G C 1.512 176.344 174.900 -0.113 0.000 1.094 838 G CA 1.370 46.470 45.100 0.001 0.000 0.736 838 G HN 0.301 nan 8.290 nan 0.000 0.588 839 K N 0.016 120.248 120.400 -0.281 0.000 2.141 839 K HA 0.328 4.648 4.320 0.000 0.000 0.202 839 K C 2.721 179.156 176.600 -0.275 0.000 1.045 839 K CA 0.710 56.811 56.287 -0.309 0.000 0.971 839 K CB -0.172 32.045 32.500 -0.473 0.000 0.795 839 K HN 0.129 nan 8.250 nan 0.000 0.459 840 A N 0.051 122.619 122.820 -0.421 0.000 2.172 840 A HA -0.014 4.306 4.320 0.000 0.000 0.216 840 A C 1.456 178.901 177.584 -0.231 0.000 1.154 840 A CA 0.880 52.680 52.037 -0.396 0.000 0.701 840 A CB -0.500 18.205 19.000 -0.491 0.000 0.789 840 A HN 0.393 nan 8.150 nan 0.000 0.465 841 F N -1.682 118.285 119.950 0.028 0.000 2.694 841 F HA 0.224 4.751 4.527 0.000 0.000 0.292 841 F C 2.535 178.395 175.800 0.099 0.000 1.121 841 F CA 0.062 58.122 58.000 0.100 0.000 1.352 841 F CB -0.016 39.085 39.000 0.169 0.000 1.107 841 F HN 0.234 nan 8.300 nan 0.000 0.597 842 A N 2.205 125.131 122.820 0.176 0.000 1.900 842 A HA -0.287 4.033 4.320 0.000 0.000 0.225 842 A C -0.106 177.528 177.584 0.084 0.000 1.414 842 A CA 2.584 54.672 52.037 0.085 0.000 0.702 842 A CB -2.302 16.697 19.000 -0.002 0.000 0.845 842 A HN 0.210 nan 8.150 nan 0.000 0.478 843 P HA -0.111 nan 4.420 nan 0.000 0.208 843 P C 0.573 177.872 177.300 -0.002 0.000 1.195 843 P CA 1.436 64.542 63.100 0.010 0.000 0.927 843 P CB -0.620 31.076 31.700 -0.008 0.000 0.778 844 L N -2.821 118.395 121.223 -0.012 0.000 2.869 844 L HA 0.295 4.635 4.340 0.000 0.000 0.240 844 L C 0.801 177.509 176.870 -0.271 0.000 1.448 844 L CA 1.013 55.767 54.840 -0.145 0.000 1.158 844 L CB -2.320 39.644 42.059 -0.159 0.000 1.497 844 L HN 0.025 nan 8.230 nan 0.000 0.447 845 F N -1.899 117.981 119.950 -0.116 0.000 3.340 845 F HA 0.158 4.685 4.527 0.000 0.000 0.400 845 F C 1.777 177.470 175.800 -0.178 0.000 1.095 845 F CA 0.298 58.202 58.000 -0.159 0.000 0.705 845 F CB -0.016 38.916 39.000 -0.112 0.000 1.825 845 F HN 0.193 nan 8.300 nan 0.000 0.463 846 A N -0.399 122.436 122.820 0.025 0.000 1.984 846 A HA 0.238 4.558 4.320 0.000 0.000 0.214 846 A C 1.217 178.737 177.584 -0.108 0.000 1.173 846 A CA 1.125 53.139 52.037 -0.039 0.000 0.673 846 A CB -0.137 18.842 19.000 -0.034 0.000 0.830 846 A HN 0.148 nan 8.150 nan 0.000 0.453 847 S N 0.757 116.370 115.700 -0.146 0.000 2.687 847 S HA 0.296 4.766 4.470 0.000 0.000 0.283 847 S C 0.217 174.607 174.600 -0.349 0.000 1.170 847 S CA -0.384 57.697 58.200 -0.198 0.000 1.008 847 S CB 0.433 63.541 63.200 -0.154 0.000 1.026 847 S HN 0.517 nan 8.310 nan 0.000 0.541 848 N N 2.415 120.863 118.700 -0.420 0.000 3.052 848 N HA 0.211 4.951 4.740 0.000 0.000 0.302 848 N C 0.628 175.895 175.510 -0.406 0.000 1.332 848 N CA 0.006 52.657 53.050 -0.666 0.000 1.129 848 N CB 0.277 38.281 38.487 -0.806 0.000 1.436 848 N HN 0.501 nan 8.380 nan 0.000 0.536 849 A N 0.946 123.574 122.820 -0.319 0.000 1.975 849 A HA -0.040 4.280 4.320 0.000 0.000 0.215 849 A C 2.120 179.591 177.584 -0.188 0.000 1.170 849 A CA 0.518 52.436 52.037 -0.199 0.000 0.656 849 A CB -0.297 18.598 19.000 -0.176 0.000 0.821 849 A HN 0.513 nan 8.150 nan 0.000 0.449 850 M N -1.236 118.190 119.600 -0.289 0.000 2.213 850 M HA -0.074 4.406 4.480 0.000 0.000 0.263 850 M C 1.434 177.733 176.300 -0.001 0.000 1.062 850 M CA 1.762 56.935 55.300 -0.212 0.000 1.105 850 M CB -0.348 32.053 32.600 -0.331 0.000 1.385 850 M HN 0.430 nan 8.290 nan 0.000 0.417 851 F N -0.188 119.644 119.950 -0.197 0.000 2.558 851 F HA -0.092 4.435 4.527 0.000 0.000 0.298 851 F C 2.156 177.874 175.800 -0.137 0.000 1.119 851 F CA 0.441 58.302 58.000 -0.231 0.000 1.451 851 F CB -0.229 38.455 39.000 -0.526 0.000 1.091 851 F HN 0.214 nan 8.300 nan 0.000 0.563 852 T N 0.819 115.410 114.554 0.062 0.000 2.614 852 T HA -0.226 4.124 4.350 0.000 0.000 0.263 852 T C 2.020 176.742 174.700 0.037 0.000 1.055 852 T CA 1.749 63.876 62.100 0.043 0.000 1.162 852 T CB -0.350 68.521 68.868 0.005 0.000 0.863 852 T HN 0.353 nan 8.240 nan 0.000 0.414 853 R N 1.535 122.047 120.500 0.020 0.000 2.170 853 R HA -0.113 4.227 4.340 0.000 0.000 0.242 853 R C 2.045 178.362 176.300 0.028 0.000 1.145 853 R CA 1.713 57.820 56.100 0.013 0.000 0.984 853 R CB -0.548 29.750 30.300 -0.003 0.000 0.869 853 R HN 0.222 nan 8.270 nan 0.000 0.455 854 N N 0.789 119.521 118.700 0.055 0.000 2.364 854 N HA -0.152 4.588 4.740 0.000 0.000 0.183 854 N C 1.198 176.721 175.510 0.021 0.000 1.022 854 N CA 1.391 54.474 53.050 0.055 0.000 0.883 854 N CB 0.108 38.630 38.487 0.059 0.000 0.965 854 N HN 0.589 nan 8.380 nan 0.000 0.438 855 Q N -0.859 118.951 119.800 0.017 0.000 2.390 855 Q HA 0.121 4.461 4.340 0.000 0.000 0.216 855 Q C 1.748 177.734 176.000 -0.023 0.000 0.916 855 Q CA 0.061 55.864 55.803 0.000 0.000 0.911 855 Q CB 0.072 28.825 28.738 0.023 0.000 1.035 855 Q HN -0.020 nan 8.270 nan 0.000 0.541 856 R N 1.605 122.099 120.500 -0.011 0.000 2.170 856 R HA -0.111 4.229 4.340 0.000 0.000 0.242 856 R C 1.644 177.916 176.300 -0.048 0.000 1.145 856 R CA 1.622 57.705 56.100 -0.028 0.000 0.984 856 R CB -0.699 29.596 30.300 -0.008 0.000 0.869 856 R HN 0.293 nan 8.270 nan 0.000 0.455 857 A N -0.575 122.227 122.820 -0.031 0.000 1.840 857 A HA -0.056 4.264 4.320 0.000 0.000 0.214 857 A C 2.323 179.875 177.584 -0.055 0.000 1.198 857 A CA 1.550 53.566 52.037 -0.035 0.000 0.608 857 A CB -0.811 18.184 19.000 -0.008 0.000 0.839 857 A HN 0.131 nan 8.150 nan 0.000 0.443 858 V N 0.779 120.665 119.914 -0.046 0.000 2.252 858 V HA -0.286 3.834 4.120 0.000 0.000 0.249 858 V C 2.418 178.438 176.094 -0.123 0.000 1.056 858 V CA 1.974 64.242 62.300 -0.054 0.000 1.022 858 V CB -0.766 31.037 31.823 -0.033 0.000 0.641 858 V HN 0.519 nan 8.190 nan 0.000 0.445 859 I N 0.140 120.594 120.570 -0.193 0.000 2.423 859 I HA -0.206 3.964 4.170 0.000 0.000 0.254 859 I C 2.449 178.370 176.117 -0.327 0.000 1.151 859 I CA 1.807 62.890 61.300 -0.362 0.000 1.421 859 I CB -1.614 36.119 38.000 -0.446 0.000 1.079 859 I HN 0.368 nan 8.210 nan 0.000 0.431 860 T N 0.051 114.483 114.554 -0.204 0.000 2.770 860 T HA -0.137 4.213 4.350 0.000 0.000 0.263 860 T C 2.058 176.678 174.700 -0.134 0.000 1.039 860 T CA 0.840 62.838 62.100 -0.171 0.000 1.142 860 T CB -0.138 68.659 68.868 -0.118 0.000 0.868 860 T HN 0.255 nan 8.240 nan 0.000 0.435 861 R N 0.557 121.001 120.500 -0.095 0.000 2.193 861 R HA -0.103 4.237 4.340 0.000 0.000 0.229 861 R C 1.910 178.190 176.300 -0.033 0.000 1.110 861 R CA 1.188 57.273 56.100 -0.025 0.000 0.988 861 R CB 0.060 30.352 30.300 -0.014 0.000 0.871 861 R HN 0.265 nan 8.270 nan 0.000 0.458 862 E N 0.086 120.195 120.200 -0.152 0.000 2.022 862 E HA 0.063 4.413 4.350 0.000 0.000 0.190 862 E C 1.767 178.094 176.600 -0.455 0.000 0.973 862 E CA 1.339 57.615 56.400 -0.207 0.000 0.816 862 E CB -0.422 29.163 29.700 -0.192 0.000 0.781 862 E HN 0.293 nan 8.360 nan 0.000 0.456 863 A N 0.466 122.721 122.820 -0.941 0.000 1.954 863 A HA -0.282 4.038 4.320 0.000 0.000 0.222 863 A C 2.270 179.632 177.584 -0.371 0.000 1.199 863 A CA 2.066 53.425 52.037 -1.130 0.000 0.657 863 A CB -1.128 17.409 19.000 -0.771 0.000 0.823 863 A HN 0.424 nan 8.150 nan 0.000 0.463 864 F N 0.132 119.884 119.950 -0.329 0.000 2.128 864 F HA -0.100 4.427 4.527 0.000 0.000 0.295 864 F C 2.179 177.890 175.800 -0.148 0.000 1.100 864 F CA 1.786 59.667 58.000 -0.198 0.000 1.260 864 F CB 0.020 38.920 39.000 -0.167 0.000 1.009 864 F HN 0.031 nan 8.300 nan 0.000 0.476 865 V N -1.034 118.762 119.914 -0.196 0.000 2.626 865 V HA -0.293 3.827 4.120 0.000 0.000 0.252 865 V C 2.402 178.433 176.094 -0.104 0.000 1.067 865 V CA 1.445 63.632 62.300 -0.188 0.000 1.081 865 V CB -0.807 31.017 31.823 0.001 0.000 0.686 865 V HN 0.579 nan 8.190 nan 0.000 0.468 866 C N -0.169 119.088 119.300 -0.072 0.000 2.500 866 C HA 0.086 4.546 4.460 0.000 0.000 0.279 866 C C 3.080 178.049 174.990 -0.035 0.000 1.288 866 C CA 0.641 59.679 59.018 0.034 0.000 1.710 866 C CB -0.945 26.961 27.740 0.276 0.000 2.052 866 C HN 0.616 nan 8.230 nan 0.000 0.488 867 A N 0.794 123.561 122.820 -0.089 0.000 1.865 867 A HA -0.277 4.043 4.320 0.000 0.000 0.217 867 A C 2.201 179.667 177.584 -0.197 0.000 1.191 867 A CA 2.155 54.132 52.037 -0.100 0.000 0.623 867 A CB -0.803 18.136 19.000 -0.103 0.000 0.826 867 A HN 0.657 nan 8.150 nan 0.000 0.444 868 R N -0.475 119.774 120.500 -0.419 0.000 2.133 868 R HA -0.177 4.163 4.340 0.000 0.000 0.247 868 R C 2.446 178.596 176.300 -0.249 0.000 1.151 868 R CA 2.125 57.920 56.100 -0.507 0.000 0.971 868 R CB -0.372 29.436 30.300 -0.819 0.000 0.866 868 R HN 0.534 nan 8.270 nan 0.000 0.447 869 S N -0.514 115.085 115.700 -0.168 0.000 2.345 869 S HA -0.057 4.413 4.470 0.000 0.000 0.219 869 S C 2.012 176.574 174.600 -0.063 0.000 1.031 869 S CA 1.017 59.151 58.200 -0.110 0.000 0.984 869 S CB -0.330 62.762 63.200 -0.180 0.000 0.874 869 S HN 0.541 nan 8.310 nan 0.000 0.451 870 A N 1.206 123.998 122.820 -0.046 0.000 1.869 870 A HA -0.093 4.227 4.320 0.000 0.000 0.218 870 A C 2.377 179.962 177.584 0.003 0.000 1.203 870 A CA 2.279 54.309 52.037 -0.011 0.000 0.638 870 A CB -1.388 17.622 19.000 0.017 0.000 0.831 870 A HN 0.487 nan 8.150 nan 0.000 0.450 871 V N -0.313 119.603 119.914 0.003 0.000 2.295 871 V HA -0.231 3.889 4.120 0.000 0.000 0.246 871 V C 3.041 179.166 176.094 0.052 0.000 1.049 871 V CA 2.048 64.367 62.300 0.032 0.000 1.024 871 V CB -1.305 30.542 31.823 0.041 0.000 0.648 871 V HN 0.646 nan 8.190 nan 0.000 0.447 872 A N -1.126 121.735 122.820 0.068 0.000 2.019 872 A HA -0.268 4.052 4.320 0.000 0.000 0.219 872 A C 2.148 179.765 177.584 0.055 0.000 1.164 872 A CA 1.962 54.063 52.037 0.107 0.000 0.644 872 A CB -0.412 18.703 19.000 0.192 0.000 0.805 872 A HN 0.580 nan 8.150 nan 0.000 0.449 873 Q N -1.012 118.803 119.800 0.026 0.000 2.020 873 Q HA -0.111 4.229 4.340 0.000 0.000 0.198 873 Q C 2.056 178.065 176.000 0.015 0.000 0.974 873 Q CA 2.094 57.904 55.803 0.011 0.000 0.829 873 Q CB -0.373 28.360 28.738 -0.008 0.000 0.894 873 Q HN 0.687 nan 8.270 nan 0.000 0.433 874 C N 0.524 119.835 119.300 0.019 0.000 2.437 874 C HA -0.025 4.435 4.460 0.000 0.000 0.283 874 C C 1.502 176.505 174.990 0.021 0.000 1.424 874 C CA -0.344 58.688 59.018 0.024 0.000 1.782 874 C CB -0.975 26.784 27.740 0.031 0.000 1.833 874 C HN 0.473 nan 8.230 nan 0.000 0.532 875 Q N 1.380 121.195 119.800 0.024 0.000 2.226 875 Q HA 0.254 4.594 4.340 0.000 0.000 0.171 875 Q C -0.500 175.502 176.000 0.003 0.000 1.077 875 Q CA 0.456 56.268 55.803 0.015 0.000 1.135 875 Q CB 0.300 29.058 28.738 0.034 0.000 1.413 875 Q HN 0.299 nan 8.270 nan 0.000 0.589 876 D N -0.244 120.150 120.400 -0.009 0.000 2.346 876 D HA 0.500 5.141 4.640 0.000 0.000 0.255 876 D C -1.757 174.534 176.300 -0.016 0.000 1.276 876 D CA 0.544 54.536 54.000 -0.013 0.000 0.941 876 D CB -0.046 40.736 40.800 -0.030 0.000 1.199 876 D HN 0.827 nan 8.370 nan 0.000 0.537 877 A N 2.031 124.850 122.820 -0.003 0.000 1.677 877 A HA 0.332 4.652 4.320 0.000 0.000 0.219 877 A C 0.614 178.180 177.584 -0.030 0.000 1.295 877 A CA 0.672 52.705 52.037 -0.007 0.000 0.647 877 A CB -1.384 17.608 19.000 -0.014 0.000 1.201 877 A HN 0.864 nan 8.150 nan 0.000 0.214 878 G N 1.054 109.846 108.800 -0.012 0.000 3.253 878 G HA2 0.740 4.701 3.960 0.000 0.000 0.175 878 G HA3 0.740 4.701 3.960 0.000 0.000 0.175 878 G C -0.211 174.657 174.900 -0.054 0.000 1.098 878 G CA -0.339 44.701 45.100 -0.100 0.000 0.790 878 G HN 1.092 nan 8.290 nan 0.000 0.648 879 F N 1.794 121.739 119.950 -0.009 0.000 2.514 879 F HA 0.169 4.696 4.527 0.000 0.000 0.399 879 F C 0.733 176.536 175.800 0.005 0.000 1.011 879 F CA -0.569 57.427 58.000 -0.007 0.000 1.109 879 F CB -0.545 38.444 39.000 -0.017 0.000 0.980 879 F HN -0.032 nan 8.300 nan 0.000 0.538 880 L N 4.610 125.926 121.223 0.155 0.000 4.149 880 L HA -0.092 4.248 4.340 0.000 0.000 0.325 880 L C 0.035 176.984 176.870 0.132 0.000 1.180 880 L CA 0.316 55.220 54.840 0.107 0.000 1.130 880 L CB -1.802 40.301 42.059 0.075 0.000 1.643 880 L HN 0.450 nan 8.230 nan 0.000 0.369 881 V N 1.632 121.623 119.914 0.128 0.000 2.326 881 V HA 0.501 4.621 4.120 0.000 0.000 0.281 881 V C -1.902 174.230 176.094 0.062 0.000 1.015 881 V CA -2.185 60.187 62.300 0.119 0.000 0.823 881 V CB 1.038 32.913 31.823 0.087 0.000 1.009 881 V HN 0.399 nan 8.190 nan 0.000 0.436 882 P HA -0.017 nan 4.420 nan 0.000 0.255 882 P C -0.165 177.138 177.300 0.005 0.000 1.173 882 P CA 0.363 63.484 63.100 0.036 0.000 0.780 882 P CB 0.269 31.997 31.700 0.047 0.000 0.758 883 R N 5.420 125.925 120.500 0.008 0.000 2.287 883 R HA 0.281 4.621 4.340 0.000 0.000 0.327 883 R C -2.172 174.128 176.300 -0.001 0.000 1.109 883 R CA -1.919 54.180 56.100 -0.001 0.000 1.013 883 R CB 0.541 30.844 30.300 0.006 0.000 1.126 883 R HN 0.296 nan 8.270 nan 0.000 0.503 884 P HA 0.069 nan 4.420 nan 0.000 0.249 884 P C 0.229 177.528 177.300 -0.002 0.000 1.229 884 P CA 0.188 63.286 63.100 -0.003 0.000 0.788 884 P CB 0.423 32.122 31.700 -0.002 0.000 1.072 885 L N -0.092 121.129 121.223 -0.002 0.000 3.141 885 L HA 0.268 4.608 4.340 0.000 0.000 0.263 885 L C 1.070 177.931 176.870 -0.015 0.000 1.312 885 L CA -0.095 54.740 54.840 -0.007 0.000 1.012 885 L CB 0.226 42.282 42.059 -0.006 0.000 1.408 885 L HN -0.255 nan 8.230 nan 0.000 0.559 886 D N 0.645 121.042 120.400 -0.005 0.000 2.277 886 D HA -0.029 4.611 4.640 0.000 0.000 0.208 886 D C 2.070 178.382 176.300 0.019 0.000 0.962 886 D CA 0.995 54.999 54.000 0.008 0.000 0.865 886 D CB 0.557 41.365 40.800 0.013 0.000 0.939 886 D HN 0.389 nan 8.370 nan 0.000 0.510 887 A N 0.145 122.974 122.820 0.015 0.000 1.877 887 A HA -0.052 4.268 4.320 0.000 0.000 0.216 887 A C 0.989 178.621 177.584 0.081 0.000 1.186 887 A CA 0.562 52.649 52.037 0.084 0.000 0.620 887 A CB -0.628 18.454 19.000 0.138 0.000 0.822 887 A HN 0.191 nan 8.150 nan 0.000 0.443 888 L N -0.683 120.449 121.223 -0.151 0.000 2.489 888 L HA 0.148 4.488 4.340 0.000 0.000 0.285 888 L C 1.146 178.043 176.870 0.046 0.000 1.259 888 L CA 0.420 55.171 54.840 -0.149 0.000 0.828 888 L CB -0.135 41.822 42.059 -0.169 0.000 1.094 888 L HN 0.408 nan 8.230 nan 0.000 0.524 889 R N 0.641 121.204 120.500 0.106 0.000 2.571 889 R HA 0.571 4.911 4.340 0.000 0.000 0.259 889 R C -1.001 175.369 176.300 0.118 0.000 1.226 889 R CA -0.397 55.783 56.100 0.135 0.000 1.157 889 R CB 0.463 30.868 30.300 0.174 0.000 1.220 889 R HN 0.587 nan 8.270 nan 0.000 0.605 890 Q N 0.187 120.075 119.800 0.148 0.000 3.387 890 Q HA 0.087 4.427 4.340 0.000 0.000 0.165 890 Q C -1.890 174.203 176.000 0.156 0.000 0.910 890 Q CA 0.147 56.029 55.803 0.131 0.000 1.352 890 Q CB -0.642 28.139 28.738 0.072 0.000 1.458 890 Q HN 0.557 nan 8.270 nan 0.000 0.652 891 F N 1.861 121.841 119.950 0.051 0.000 2.682 891 F HA 0.472 4.999 4.527 0.000 0.000 0.308 891 F C -0.064 175.754 175.800 0.031 0.000 1.093 891 F CA -0.117 57.906 58.000 0.038 0.000 1.244 891 F CB 0.885 39.908 39.000 0.038 0.000 1.052 891 F HN 0.496 nan 8.300 nan 0.000 0.573 892 D N 0.783 121.226 120.400 0.070 0.000 2.464 892 D HA 0.263 4.903 4.640 0.000 0.000 0.243 892 D C 0.440 176.727 176.300 -0.022 0.000 1.104 892 D CA -0.083 53.932 54.000 0.025 0.000 0.883 892 D CB 1.070 41.921 40.800 0.084 0.000 1.050 892 D HN 0.061 nan 8.370 nan 0.000 0.524 893 V N 1.156 121.019 119.914 -0.085 0.000 3.483 893 V HA 0.229 4.349 4.120 0.000 0.000 0.301 893 V C 1.070 177.140 176.094 -0.042 0.000 1.389 893 V CA 0.013 62.276 62.300 -0.063 0.000 1.101 893 V CB -0.945 30.817 31.823 -0.102 0.000 0.971 893 V HN 0.573 nan 8.190 nan 0.000 0.434 894 T N -1.830 112.702 114.554 -0.037 0.000 2.932 894 T HA 0.172 4.522 4.350 0.000 0.000 0.312 894 T C 1.366 176.065 174.700 -0.001 0.000 1.071 894 T CA 0.701 62.788 62.100 -0.021 0.000 1.128 894 T CB 1.232 70.090 68.868 -0.016 0.000 0.984 894 T HN 0.240 nan 8.240 nan 0.000 0.549 895 S N 2.707 118.411 115.700 0.006 0.000 2.393 895 S HA -0.262 4.208 4.470 0.000 0.000 0.235 895 S C 2.561 177.175 174.600 0.023 0.000 1.061 895 S CA 1.675 59.887 58.200 0.021 0.000 1.129 895 S CB -1.292 61.923 63.200 0.025 0.000 1.011 895 S HN 1.020 nan 8.310 nan 0.000 0.436 896 A N 1.690 124.518 122.820 0.013 0.000 1.929 896 A HA -0.204 4.116 4.320 0.000 0.000 0.221 896 A C 2.399 179.995 177.584 0.019 0.000 1.211 896 A CA 2.469 54.512 52.037 0.009 0.000 0.657 896 A CB -1.399 17.599 19.000 -0.003 0.000 0.827 896 A HN 0.668 nan 8.150 nan 0.000 0.462 897 A N -0.749 122.084 122.820 0.022 0.000 1.940 897 A HA 0.134 4.454 4.320 0.000 0.000 0.219 897 A C 2.488 180.099 177.584 0.044 0.000 1.176 897 A CA 2.358 54.416 52.037 0.034 0.000 0.631 897 A CB -0.968 18.049 19.000 0.029 0.000 0.814 897 A HN 1.174 nan 8.150 nan 0.000 0.446 898 A N -0.141 122.704 122.820 0.042 0.000 1.832 898 A HA 0.232 4.552 4.320 0.000 0.000 0.214 898 A C 2.568 180.193 177.584 0.068 0.000 1.204 898 A CA 2.050 54.120 52.037 0.055 0.000 0.606 898 A CB -1.327 17.708 19.000 0.057 0.000 0.849 898 A HN 1.152 nan 8.150 nan 0.000 0.445 899 A N -0.353 122.505 122.820 0.064 0.000 1.927 899 A HA -0.282 4.038 4.320 0.000 0.000 0.220 899 A C 1.957 179.598 177.584 0.095 0.000 1.185 899 A CA 2.108 54.192 52.037 0.077 0.000 0.639 899 A CB -0.729 18.295 19.000 0.040 0.000 0.820 899 A HN 0.670 nan 8.150 nan 0.000 0.451 900 E N -0.606 119.630 120.200 0.059 0.000 2.038 900 E HA -0.183 4.167 4.350 0.000 0.000 0.195 900 E C 1.954 178.627 176.600 0.121 0.000 1.000 900 E CA 1.402 57.845 56.400 0.071 0.000 0.803 900 E CB -0.278 29.453 29.700 0.052 0.000 0.750 900 E HN 0.718 nan 8.360 nan 0.000 0.448 901 I N 0.832 121.459 120.570 0.096 0.000 2.076 901 I HA -0.310 3.860 4.170 0.000 0.000 0.237 901 I C 2.673 178.853 176.117 0.106 0.000 1.059 901 I CA 0.976 62.330 61.300 0.089 0.000 1.317 901 I CB -0.301 37.739 38.000 0.066 0.000 1.037 901 I HN 0.246 nan 8.210 nan 0.000 0.398 902 M N -0.093 119.569 119.600 0.102 0.000 2.521 902 M HA -0.269 4.211 4.480 0.000 0.000 0.260 902 M C 2.151 178.530 176.300 0.132 0.000 1.068 902 M CA 1.808 57.167 55.300 0.098 0.000 1.060 902 M CB -0.933 31.719 32.600 0.088 0.000 1.398 902 M HN 0.407 nan 8.290 nan 0.000 0.473 903 H N -0.759 118.345 119.070 0.056 0.000 2.344 903 H HA 0.057 4.613 4.556 0.000 0.000 0.307 903 H C 1.842 177.211 175.328 0.069 0.000 1.057 903 H CA 1.266 57.350 56.048 0.059 0.000 1.373 903 H CB 0.253 30.045 29.762 0.051 0.000 1.421 903 H HN 0.418 nan 8.280 nan 0.000 0.532 904 A N 0.785 123.703 122.820 0.164 0.000 1.892 904 A HA -0.160 4.160 4.320 0.000 0.000 0.218 904 A C 2.695 180.322 177.584 0.071 0.000 1.188 904 A CA 1.853 53.950 52.037 0.099 0.000 0.631 904 A CB -1.085 17.970 19.000 0.092 0.000 0.822 904 A HN 0.280 nan 8.150 nan 0.000 0.447 905 V N 0.946 120.918 119.914 0.097 0.000 2.380 905 V HA -0.285 3.835 4.120 0.000 0.000 0.251 905 V C 2.356 178.596 176.094 0.242 0.000 1.063 905 V CA 2.395 64.793 62.300 0.164 0.000 1.055 905 V CB -1.074 30.848 31.823 0.164 0.000 0.657 905 V HN 0.789 nan 8.190 nan 0.000 0.455 906 N N -0.436 118.327 118.700 0.105 0.000 2.512 906 N HA -0.103 4.637 4.740 0.000 0.000 0.183 906 N C 1.200 176.738 175.510 0.047 0.000 1.073 906 N CA 1.121 54.207 53.050 0.060 0.000 0.911 906 N CB -0.012 38.424 38.487 -0.085 0.000 0.964 906 N HN 0.528 nan 8.380 nan 0.000 0.447 907 D N -0.710 119.708 120.400 0.029 0.000 2.320 907 D HA 0.235 4.875 4.640 0.000 0.000 0.228 907 D C 1.881 178.215 176.300 0.058 0.000 0.978 907 D CA 1.163 55.177 54.000 0.023 0.000 0.905 907 D CB -0.424 40.381 40.800 0.008 0.000 1.051 907 D HN 0.210 nan 8.370 nan 0.000 0.471 908 A N 0.147 122.985 122.820 0.029 0.000 1.954 908 A HA -0.263 4.057 4.320 0.000 0.000 0.222 908 A C 1.952 179.486 177.584 -0.084 0.000 1.199 908 A CA 1.591 53.587 52.037 -0.069 0.000 0.657 908 A CB -1.099 17.816 19.000 -0.141 0.000 0.823 908 A HN 0.248 nan 8.150 nan 0.000 0.463 909 F N -0.856 119.152 119.950 0.097 0.000 2.219 909 F HA 0.047 4.574 4.527 0.000 0.000 0.294 909 F C 2.281 178.205 175.800 0.205 0.000 1.086 909 F CA 1.570 59.700 58.000 0.216 0.000 1.330 909 F CB -0.205 38.878 39.000 0.138 0.000 1.047 909 F HN 0.054 nan 8.300 nan 0.000 0.495 910 K N -0.469 120.097 120.400 0.277 0.000 2.211 910 K HA -0.137 4.183 4.320 0.000 0.000 0.204 910 K C 1.814 178.490 176.600 0.126 0.000 1.047 910 K CA 1.728 58.116 56.287 0.168 0.000 0.935 910 K CB -0.241 32.310 32.500 0.086 0.000 0.728 910 K HN 0.216 nan 8.250 nan 0.000 0.452 911 T N -0.074 114.532 114.554 0.087 0.000 2.939 911 T HA 0.042 4.392 4.350 0.000 0.000 0.254 911 T C 1.804 176.491 174.700 -0.022 0.000 1.041 911 T CA 0.842 62.954 62.100 0.020 0.000 1.142 911 T CB 0.028 68.887 68.868 -0.015 0.000 0.874 911 T HN 0.254 nan 8.240 nan 0.000 0.452 912 A N 0.957 123.750 122.820 -0.046 0.000 1.877 912 A HA 0.041 4.361 4.320 0.000 0.000 0.216 912 A C 1.657 179.020 177.584 -0.369 0.000 1.186 912 A CA 1.423 53.304 52.037 -0.259 0.000 0.620 912 A CB -0.736 18.032 19.000 -0.385 0.000 0.822 912 A HN 0.507 nan 8.150 nan 0.000 0.443 913 F N 0.270 120.233 119.950 0.021 0.000 2.721 913 F HA 0.146 4.673 4.527 0.000 0.000 0.301 913 F C 0.348 176.165 175.800 0.029 0.000 1.096 913 F CA 0.011 58.033 58.000 0.037 0.000 1.308 913 F CB 0.190 39.244 39.000 0.089 0.000 1.086 913 F HN 0.454 nan 8.300 nan 0.000 0.587 914 D N 2.246 122.751 120.400 0.174 0.000 4.543 914 D HA -0.212 4.428 4.640 0.000 0.000 0.236 914 D C -1.109 175.259 176.300 0.114 0.000 1.047 914 D CA 0.764 54.827 54.000 0.105 0.000 1.254 914 D CB -0.857 39.974 40.800 0.051 0.000 0.762 914 D HN 0.502 nan 8.370 nan 0.000 0.381 915 L N 0.590 121.872 121.223 0.099 0.000 2.680 915 L HA 0.360 4.700 4.340 0.000 0.000 0.260 915 L C 0.913 177.813 176.870 0.051 0.000 0.975 915 L CA -0.628 54.256 54.840 0.074 0.000 0.920 915 L CB 1.070 43.177 42.059 0.080 0.000 1.234 915 L HN 0.124 nan 8.230 nan 0.000 0.429 916 D N 1.927 122.350 120.400 0.039 0.000 2.149 916 D HA -0.123 4.517 4.640 0.000 0.000 0.194 916 D C 1.231 177.543 176.300 0.020 0.000 1.001 916 D CA 1.335 55.352 54.000 0.027 0.000 0.849 916 D CB -0.266 40.548 40.800 0.023 0.000 0.939 916 D HN 0.729 nan 8.370 nan 0.000 0.449 917 G N 0.100 108.912 108.800 0.020 0.000 2.349 917 G HA2 0.248 4.208 3.960 0.000 0.000 0.232 917 G HA3 0.248 4.208 3.960 0.000 0.000 0.232 917 G C 0.159 175.061 174.900 0.002 0.000 1.240 917 G CA -0.029 45.078 45.100 0.013 0.000 0.870 917 G HN 0.574 nan 8.290 nan 0.000 0.528 918 A N 2.208 125.020 122.820 -0.013 0.000 2.476 918 A HA 0.456 4.776 4.320 0.000 0.000 0.275 918 A C 0.213 177.776 177.584 -0.035 0.000 1.133 918 A CA -0.037 51.984 52.037 -0.028 0.000 0.797 918 A CB -0.044 18.926 19.000 -0.050 0.000 1.081 918 A HN 1.385 nan 8.150 nan 0.000 0.510 919 L N 3.543 124.747 121.223 -0.031 0.000 2.386 919 L HA 0.530 4.870 4.340 0.000 0.000 0.271 919 L C 0.566 177.408 176.870 -0.045 0.000 0.993 919 L CA -0.951 53.863 54.840 -0.044 0.000 0.819 919 L CB 1.491 43.525 42.059 -0.043 0.000 1.294 919 L HN 0.652 nan 8.230 nan 0.000 0.414 920 L N 2.016 123.209 121.223 -0.051 0.000 4.914 920 L HA -0.231 4.109 4.340 0.000 0.000 0.443 920 L C 0.057 176.921 176.870 -0.009 0.000 1.095 920 L CA 1.259 56.090 54.840 -0.014 0.000 0.975 920 L CB -1.434 40.620 42.059 -0.009 0.000 1.914 920 L HN 0.933 nan 8.230 nan 0.000 0.837 921 D N -0.915 119.467 120.400 -0.029 0.000 2.440 921 D HA 0.427 5.067 4.640 0.000 0.000 0.269 921 D C 1.496 177.776 176.300 -0.033 0.000 1.249 921 D CA 0.544 54.534 54.000 -0.017 0.000 1.055 921 D CB 0.457 41.245 40.800 -0.021 0.000 1.104 921 D HN 0.196 nan 8.370 nan 0.000 0.561 922 G N -0.137 108.643 108.800 -0.033 0.000 2.826 922 G HA2 -0.386 3.574 3.960 0.000 0.000 0.235 922 G HA3 -0.386 3.574 3.960 0.000 0.000 0.235 922 G C 1.347 176.191 174.900 -0.094 0.000 1.159 922 G CA 0.953 46.012 45.100 -0.068 0.000 0.756 922 G HN 0.447 nan 8.290 nan 0.000 0.525 923 L N 0.790 121.976 121.223 -0.062 0.000 2.043 923 L HA -0.044 4.296 4.340 0.000 0.000 0.212 923 L C 3.425 180.267 176.870 -0.047 0.000 1.075 923 L CA 2.262 57.073 54.840 -0.048 0.000 0.752 923 L CB -0.668 41.419 42.059 0.048 0.000 0.891 923 L HN 0.585 nan 8.230 nan 0.000 0.432 924 A N -0.322 122.497 122.820 -0.001 0.000 1.829 924 A HA -0.260 4.060 4.320 0.000 0.000 0.216 924 A C 2.086 179.675 177.584 0.007 0.000 1.207 924 A CA 1.861 53.917 52.037 0.030 0.000 0.622 924 A CB -0.872 18.171 19.000 0.072 0.000 0.846 924 A HN 0.390 nan 8.150 nan 0.000 0.447 925 L N -2.605 118.618 121.223 0.000 0.000 3.162 925 L HA -0.375 3.965 4.340 0.000 0.000 0.211 925 L C 1.808 178.795 176.870 0.195 0.000 3.810 925 L CA 2.520 57.383 54.840 0.037 0.000 0.609 925 L CB -0.975 41.029 42.059 -0.090 0.000 2.910 925 L HN 0.591 nan 8.230 nan 0.000 0.389 926 Y N 1.238 121.547 120.300 0.014 0.000 2.506 926 Y HA 0.236 4.786 4.550 0.000 0.000 0.335 926 Y C 1.635 177.544 175.900 0.016 0.000 1.218 926 Y CA 0.248 58.355 58.100 0.011 0.000 1.260 926 Y CB -1.568 36.896 38.460 0.007 0.000 1.085 926 Y HN 0.450 nan 8.280 nan 0.000 0.495 927 G N 1.862 110.761 108.800 0.165 0.000 2.369 927 G HA2 -0.240 3.720 3.960 0.000 0.000 0.286 927 G HA3 -0.240 3.720 3.960 0.000 0.000 0.286 927 G C -0.517 174.439 174.900 0.092 0.000 0.938 927 G CA 0.871 46.031 45.100 0.101 0.000 1.271 927 G HN 0.499 nan 8.290 nan 0.000 0.488 928 D N -0.192 120.266 120.400 0.096 0.000 2.329 928 D HA 0.306 4.946 4.640 0.000 0.000 0.217 928 D C -1.319 175.037 176.300 0.093 0.000 1.317 928 D CA -0.838 53.214 54.000 0.087 0.000 0.928 928 D CB 0.562 41.418 40.800 0.093 0.000 1.544 928 D HN 0.042 nan 8.370 nan 0.000 0.499 929 P HA 0.001 nan 4.420 nan 0.000 0.217 929 P C 1.305 178.681 177.300 0.127 0.000 1.151 929 P CA 0.583 63.740 63.100 0.096 0.000 0.828 929 P CB 0.279 32.027 31.700 0.081 0.000 0.788 930 R N -0.290 120.278 120.500 0.112 0.000 2.208 930 R HA -0.161 4.179 4.340 0.000 0.000 0.262 930 R C 0.818 177.238 176.300 0.199 0.000 1.166 930 R CA 1.267 57.442 56.100 0.126 0.000 0.987 930 R CB -0.919 29.419 30.300 0.063 0.000 0.887 930 R HN 0.285 nan 8.270 nan 0.000 0.459 931 I N -0.002 120.686 120.570 0.197 0.000 3.158 931 I HA 0.238 4.408 4.170 0.000 0.000 0.344 931 I C -0.401 175.928 176.117 0.354 0.000 1.459 931 I CA -0.652 60.806 61.300 0.262 0.000 0.956 931 I CB 1.031 39.090 38.000 0.100 0.000 1.793 931 I HN 0.008 nan 8.210 nan 0.000 0.522 932 A N 1.581 124.613 122.820 0.353 0.000 2.491 932 A HA 0.366 4.686 4.320 0.000 0.000 0.261 932 A C -0.424 177.323 177.584 0.272 0.000 1.101 932 A CA 0.525 52.698 52.037 0.226 0.000 0.772 932 A CB 0.122 19.208 19.000 0.144 0.000 1.043 932 A HN 0.535 nan 8.150 nan 0.000 0.501 933 D N 1.925 122.471 120.400 0.242 0.000 2.861 933 D HA 0.418 5.058 4.640 0.000 0.000 0.216 933 D C -0.935 175.444 176.300 0.130 0.000 1.323 933 D CA -0.362 53.784 54.000 0.243 0.000 0.917 933 D CB 0.728 41.704 40.800 0.294 0.000 1.582 933 D HN 0.422 nan 8.370 nan 0.000 0.576 934 L N 2.278 123.555 121.223 0.091 0.000 2.395 934 L HA 0.748 5.088 4.340 0.000 0.000 0.269 934 L C 0.187 177.128 176.870 0.118 0.000 1.133 934 L CA -0.394 54.459 54.840 0.021 0.000 0.812 934 L CB 1.514 43.501 42.059 -0.120 0.000 1.125 934 L HN 0.372 nan 8.230 nan 0.000 0.452 935 S N 0.905 116.695 115.700 0.151 0.000 2.596 935 S HA 0.675 5.145 4.470 0.000 0.000 0.305 935 S C -1.230 173.563 174.600 0.322 0.000 1.086 935 S CA -0.370 57.996 58.200 0.277 0.000 0.909 935 S CB 1.092 64.528 63.200 0.394 0.000 1.106 935 S HN 0.812 nan 8.310 nan 0.000 0.450 936 A N 2.673 125.676 122.820 0.305 0.000 2.322 936 A HA 1.068 5.388 4.320 0.000 0.000 0.327 936 A C -0.174 177.723 177.584 0.521 0.000 1.134 936 A CA -0.215 52.094 52.037 0.453 0.000 0.831 936 A CB 1.487 20.737 19.000 0.416 0.000 1.288 936 A HN 2.171 nan 8.150 nan 0.000 0.472 937 A N 0.113 123.337 122.820 0.673 0.000 2.372 937 A HA 0.496 4.816 4.320 0.000 0.000 0.309 937 A C -0.826 176.794 177.584 0.060 0.000 1.013 937 A CA -0.569 51.690 52.037 0.370 0.000 0.978 937 A CB -0.744 18.266 19.000 0.016 0.000 1.174 937 A HN 2.008 nan 8.150 nan 0.000 0.357 938 Y N 0.853 120.954 120.300 -0.332 0.000 2.344 938 Y HA 0.861 5.411 4.550 0.000 0.000 0.330 938 Y C -0.101 175.687 175.900 -0.186 0.000 1.330 938 Y CA -1.971 55.941 58.100 -0.313 0.000 1.479 938 Y CB 0.791 38.943 38.460 -0.514 0.000 1.428 938 Y HN 0.765 nan 8.280 nan 0.000 0.544 939 L N 1.946 123.107 121.223 -0.103 0.000 2.504 939 L HA 0.368 4.708 4.340 0.000 0.000 0.265 939 L C -1.471 175.372 176.870 -0.045 0.000 0.975 939 L CA -0.543 54.200 54.840 -0.162 0.000 0.864 939 L CB 1.659 43.656 42.059 -0.103 0.000 1.212 939 L HN 0.837 nan 8.230 nan 0.000 0.416 940 Q N 2.248 122.008 119.800 -0.067 0.000 2.314 940 Q HA 0.030 4.370 4.340 0.000 0.000 0.258 940 Q C 0.466 176.456 176.000 -0.016 0.000 0.954 940 Q CA 0.152 55.962 55.803 0.011 0.000 0.890 940 Q CB 1.389 30.134 28.738 0.011 0.000 1.210 940 Q HN 0.616 nan 8.270 nan 0.000 0.410 941 Y N 3.195 123.435 120.300 -0.100 0.000 2.062 941 Y HA -0.385 4.165 4.550 0.000 0.000 0.273 941 Y C 1.778 177.616 175.900 -0.103 0.000 1.206 941 Y CA 2.357 60.384 58.100 -0.123 0.000 1.125 941 Y CB -0.510 37.832 38.460 -0.196 0.000 0.951 941 Y HN 0.857 nan 8.280 nan 0.000 0.501 942 G N -1.374 107.316 108.800 -0.183 0.000 2.672 942 G HA2 -0.072 3.888 3.960 0.000 0.000 0.218 942 G HA3 -0.072 3.888 3.960 0.000 0.000 0.218 942 G C 1.487 176.219 174.900 -0.280 0.000 1.238 942 G CA 1.744 46.695 45.100 -0.248 0.000 0.791 942 G HN 0.860 nan 8.290 nan 0.000 0.606 943 G N -0.586 108.098 108.800 -0.192 0.000 4.286 943 G HA2 -0.004 3.956 3.960 0.000 0.000 0.204 943 G HA3 -0.004 3.956 3.960 0.000 0.000 0.204 943 G C 0.184 174.992 174.900 -0.153 0.000 1.218 943 G CA 0.506 45.503 45.100 -0.172 0.000 1.010 943 G HN 0.599 nan 8.290 nan 0.000 0.384 944 N N 0.935 119.552 118.700 -0.140 0.000 1.935 944 N HA 0.039 4.779 4.740 0.000 0.000 0.304 944 N C 0.741 176.110 175.510 -0.234 0.000 1.286 944 N CA 0.876 53.829 53.050 -0.160 0.000 0.798 944 N CB 1.022 39.426 38.487 -0.138 0.000 1.028 944 N HN 0.099 nan 8.380 nan 0.000 0.494 945 V N 4.138 123.905 119.914 -0.246 0.000 3.528 945 V HA 0.021 4.141 4.120 0.000 0.000 0.294 945 V C 1.345 177.206 176.094 -0.389 0.000 1.404 945 V CA 0.593 62.711 62.300 -0.305 0.000 1.065 945 V CB -0.446 31.253 31.823 -0.206 0.000 0.904 945 V HN 0.715 nan 8.190 nan 0.000 0.435 946 V N -0.587 119.107 119.914 -0.367 0.000 0.660 946 V HA -0.442 3.678 4.120 0.000 0.000 0.092 946 V C 0.905 176.917 176.094 -0.135 0.000 1.212 946 V CA 2.093 64.222 62.300 -0.285 0.000 3.197 946 V CB -1.462 30.045 31.823 -0.527 0.000 0.416 946 V HN 0.806 nan 8.190 nan 0.000 0.405 947 R N 0.204 120.654 120.500 -0.084 0.000 1.041 947 R HA -0.089 4.251 4.340 0.000 0.000 0.426 947 R C -0.224 176.067 176.300 -0.016 0.000 1.363 947 R CA 0.907 56.975 56.100 -0.054 0.000 1.277 947 R CB -0.730 29.471 30.300 -0.166 0.000 3.597 947 R HN 1.017 nan 8.270 nan 0.000 0.505 948 E N 1.535 121.726 120.200 -0.015 0.000 2.829 948 E HA 0.067 4.417 4.350 0.000 0.000 0.369 948 E C -0.985 175.642 176.600 0.046 0.000 1.097 948 E CA -0.344 56.042 56.400 -0.023 0.000 0.822 948 E CB 0.120 29.809 29.700 -0.020 0.000 1.502 948 E HN 0.581 nan 8.360 nan 0.000 0.387 949 H N 1.677 120.797 119.070 0.083 0.000 3.004 949 H HA 0.310 4.866 4.556 0.000 0.000 0.267 949 H C 0.462 175.819 175.328 0.050 0.000 1.165 949 H CA -0.830 55.270 56.048 0.086 0.000 1.450 949 H CB 0.804 30.635 29.762 0.115 0.000 1.488 949 H HN 0.165 nan 8.280 nan 0.000 0.478 950 V N 6.246 126.255 119.914 0.158 0.000 2.452 950 V HA 0.070 4.190 4.120 0.000 0.000 0.286 950 V C -2.137 173.987 176.094 0.050 0.000 0.995 950 V CA -0.985 61.356 62.300 0.068 0.000 1.116 950 V CB 0.293 32.120 31.823 0.007 0.000 0.954 950 V HN 0.744 nan 8.190 nan 0.000 0.473 951 P HA 0.540 nan 4.420 nan 0.000 0.290 951 P C -2.974 174.356 177.300 0.050 0.000 1.283 951 P CA -2.560 60.565 63.100 0.041 0.000 0.869 951 P CB 1.261 32.966 31.700 0.008 0.000 1.100 952 P HA 0.102 nan 4.420 nan 0.000 0.266 952 P C 0.698 178.013 177.300 0.025 0.000 1.195 952 P CA 0.479 63.647 63.100 0.113 0.000 0.768 952 P CB 0.066 31.876 31.700 0.183 0.000 0.838 953 G N 3.405 112.212 108.800 0.012 0.000 2.684 953 G HA2 0.275 4.235 3.960 0.000 0.000 0.255 953 G HA3 0.275 4.235 3.960 0.000 0.000 0.255 953 G C -2.169 172.708 174.900 -0.039 0.000 1.219 953 G CA -1.043 44.050 45.100 -0.012 0.000 0.901 953 G HN 0.399 nan 8.290 nan 0.000 0.548 954 P HA 0.132 nan 4.420 nan 0.000 0.268 954 P C 0.151 177.384 177.300 -0.111 0.000 1.485 954 P CA -0.164 62.875 63.100 -0.101 0.000 1.102 954 P CB 0.249 31.891 31.700 -0.096 0.000 1.501 955 S N 2.667 118.315 115.700 -0.085 0.000 2.601 955 S HA 0.183 4.653 4.470 0.000 0.000 0.271 955 S C 1.062 175.646 174.600 -0.026 0.000 1.305 955 S CA -0.498 57.690 58.200 -0.021 0.000 1.022 955 S CB 0.568 63.794 63.200 0.043 0.000 0.940 955 S HN 0.414 nan 8.310 nan 0.000 0.525 956 H N 0.914 120.041 119.070 0.094 0.000 2.548 956 H HA 0.230 4.786 4.556 0.000 0.000 0.268 956 H C 1.139 176.567 175.328 0.167 0.000 0.975 956 H CA 1.009 57.129 56.048 0.121 0.000 1.195 956 H CB 0.141 29.970 29.762 0.111 0.000 1.397 956 H HN 0.607 nan 8.280 nan 0.000 0.572 957 I N -0.826 119.917 120.570 0.287 0.000 3.708 957 I HA -0.099 4.071 4.170 0.000 0.000 0.302 957 I C 1.835 178.092 176.117 0.234 0.000 1.255 957 I CA 0.186 61.650 61.300 0.273 0.000 1.362 957 I CB -0.038 38.154 38.000 0.319 0.000 1.100 957 I HN 0.110 nan 8.210 nan 0.000 0.434 958 H N 1.538 120.673 119.070 0.107 0.000 2.568 958 H HA 0.046 4.602 4.556 0.000 0.000 0.275 958 H C 1.894 177.267 175.328 0.074 0.000 1.028 958 H CA 0.566 56.652 56.048 0.063 0.000 1.173 958 H CB 0.189 29.959 29.762 0.013 0.000 1.335 958 H HN 0.097 nan 8.280 nan 0.000 0.614 959 R N -0.565 120.070 120.500 0.226 0.000 2.006 959 R HA 0.297 4.637 4.340 0.000 0.000 0.181 959 R C 2.462 178.885 176.300 0.206 0.000 1.617 959 R CA 0.649 56.873 56.100 0.208 0.000 1.276 959 R CB -1.167 29.265 30.300 0.219 0.000 1.107 959 R HN 0.256 nan 8.270 nan 0.000 0.474 960 A N 2.678 125.656 122.820 0.263 0.000 1.887 960 A HA -0.290 4.030 4.320 0.000 0.000 0.225 960 A C 2.191 179.908 177.584 0.222 0.000 1.464 960 A CA 2.574 54.786 52.037 0.292 0.000 0.717 960 A CB -1.232 17.921 19.000 0.255 0.000 0.848 960 A HN 0.313 nan 8.150 nan 0.000 0.477 961 L N -0.807 120.517 121.223 0.169 0.000 1.978 961 L HA -0.263 4.077 4.340 0.000 0.000 0.218 961 L C 2.493 179.411 176.870 0.080 0.000 1.075 961 L CA 3.195 58.108 54.840 0.121 0.000 0.767 961 L CB -1.094 41.014 42.059 0.082 0.000 0.890 961 L HN 0.563 nan 8.230 nan 0.000 0.434 962 Q N -0.596 119.228 119.800 0.040 0.000 2.062 962 Q HA -0.290 4.050 4.340 0.000 0.000 0.209 962 Q C 2.358 178.381 176.000 0.039 0.000 0.996 962 Q CA 2.273 58.080 55.803 0.007 0.000 0.859 962 Q CB -0.636 28.096 28.738 -0.010 0.000 0.920 962 Q HN 0.621 nan 8.270 nan 0.000 0.415 963 Q N -0.736 119.107 119.800 0.073 0.000 2.181 963 Q HA -0.102 4.238 4.340 0.000 0.000 0.205 963 Q C 2.071 178.094 176.000 0.038 0.000 0.980 963 Q CA 1.465 57.288 55.803 0.033 0.000 0.862 963 Q CB -0.176 28.579 28.738 0.029 0.000 0.905 963 Q HN 0.377 nan 8.270 nan 0.000 0.429 964 V N 0.680 120.658 119.914 0.106 0.000 2.488 964 V HA -0.189 3.931 4.120 0.000 0.000 0.246 964 V C 1.877 178.021 176.094 0.082 0.000 1.046 964 V CA 1.599 63.978 62.300 0.132 0.000 1.053 964 V CB -0.334 31.617 31.823 0.214 0.000 0.679 964 V HN 0.376 nan 8.190 nan 0.000 0.458 965 E N -0.031 120.206 120.200 0.061 0.000 2.274 965 E HA -0.120 4.230 4.350 0.000 0.000 0.194 965 E C 2.334 178.967 176.600 0.055 0.000 0.996 965 E CA 1.189 57.631 56.400 0.070 0.000 0.840 965 E CB -0.128 29.588 29.700 0.027 0.000 0.772 965 E HN 0.483 nan 8.360 nan 0.000 0.491 966 S N 0.277 115.987 115.700 0.018 0.000 2.355 966 S HA -0.133 4.337 4.470 0.000 0.000 0.222 966 S C 2.161 176.737 174.600 -0.041 0.000 1.031 966 S CA 1.337 59.529 58.200 -0.014 0.000 0.993 966 S CB -0.239 62.949 63.200 -0.020 0.000 0.859 966 S HN 0.247 nan 8.310 nan 0.000 0.453 967 T N 1.351 115.888 114.554 -0.028 0.000 2.985 967 T HA 0.025 4.375 4.350 0.000 0.000 0.266 967 T C 1.385 176.029 174.700 -0.095 0.000 1.076 967 T CA 0.648 62.715 62.100 -0.056 0.000 1.135 967 T CB -0.358 68.496 68.868 -0.024 0.000 0.890 967 T HN 0.380 nan 8.240 nan 0.000 0.480 968 F N 2.018 121.859 119.950 -0.181 0.000 2.026 968 F HA -0.120 4.407 4.527 0.000 0.000 0.296 968 F C 2.152 177.798 175.800 -0.256 0.000 1.133 968 F CA 1.886 59.688 58.000 -0.330 0.000 1.188 968 F CB -0.913 37.827 39.000 -0.433 0.000 0.968 968 F HN 0.109 nan 8.300 nan 0.000 0.476 969 M N 1.444 120.684 119.600 -0.601 0.000 2.124 969 M HA -0.292 4.189 4.480 0.000 0.000 0.253 969 M C 2.221 178.222 176.300 -0.497 0.000 1.077 969 M CA 2.465 57.420 55.300 -0.575 0.000 1.085 969 M CB -1.323 31.148 32.600 -0.215 0.000 1.320 969 M HN 0.347 nan 8.290 nan 0.000 0.404 970 A N -1.427 121.194 122.820 -0.331 0.000 1.877 970 A HA -0.148 4.172 4.320 0.000 0.000 0.216 970 A C 1.663 179.087 177.584 -0.268 0.000 1.186 970 A CA 1.883 53.774 52.037 -0.244 0.000 0.620 970 A CB -0.613 18.288 19.000 -0.163 0.000 0.822 970 A HN 0.624 nan 8.150 nan 0.000 0.443 971 E N -0.815 119.209 120.200 -0.292 0.000 3.351 971 E HA 0.414 4.764 4.350 0.000 0.000 0.220 971 E C 0.947 177.427 176.600 -0.200 0.000 1.150 971 E CA -0.246 56.033 56.400 -0.201 0.000 1.359 971 E CB -0.036 29.594 29.700 -0.116 0.000 1.365 971 E HN 0.560 nan 8.360 nan 0.000 0.434 972 M N 0.119 119.459 119.600 -0.433 0.000 2.065 972 M HA -0.228 4.252 4.480 0.000 0.000 0.259 972 M C 1.664 178.023 176.300 0.098 0.000 1.071 972 M CA 1.437 56.494 55.300 -0.405 0.000 1.109 972 M CB -0.474 31.840 32.600 -0.477 0.000 1.313 972 M HN 0.323 nan 8.290 nan 0.000 0.408 973 N N 1.044 119.738 118.700 -0.010 0.000 2.122 973 N HA -0.235 4.505 4.740 0.000 0.000 0.199 973 N C 1.480 177.168 175.510 0.296 0.000 1.007 973 N CA 1.618 54.715 53.050 0.079 0.000 0.892 973 N CB -0.874 37.589 38.487 -0.041 0.000 1.050 973 N HN 0.260 nan 8.380 nan 0.000 0.468 974 L N -0.225 121.183 121.223 0.309 0.000 2.651 974 L HA -0.067 4.273 4.340 0.000 0.000 0.236 974 L C 0.808 177.860 176.870 0.302 0.000 1.173 974 L CA 1.230 56.259 54.840 0.315 0.000 0.843 974 L CB -0.612 41.624 42.059 0.295 0.000 0.964 974 L HN 0.113 nan 8.230 nan 0.000 0.454 975 F N -1.433 118.668 119.950 0.252 0.000 2.772 975 F HA 0.306 4.833 4.527 0.000 0.000 0.316 975 F C 0.641 176.626 175.800 0.308 0.000 1.114 975 F CA -0.872 57.289 58.000 0.268 0.000 1.191 975 F CB -0.153 39.059 39.000 0.353 0.000 1.065 975 F HN 0.008 nan 8.300 nan 0.000 0.534 976 N N 0.672 119.676 118.700 0.508 0.000 2.806 976 N HA -0.126 4.614 4.740 0.000 0.000 0.248 976 N C -0.863 174.967 175.510 0.533 0.000 1.081 976 N CA 0.598 53.964 53.050 0.527 0.000 0.680 976 N CB -1.543 37.073 38.487 0.215 0.000 0.941 976 N HN 0.111 nan 8.380 nan 0.000 0.554 977 V N -0.590 119.564 119.914 0.400 0.000 2.637 977 V HA 0.475 4.595 4.120 0.000 0.000 0.296 977 V C 0.851 176.812 176.094 -0.222 0.000 1.118 977 V CA -0.486 61.859 62.300 0.075 0.000 1.230 977 V CB 1.034 32.908 31.823 0.085 0.000 1.360 977 V HN 0.512 nan 8.190 nan 0.000 0.620 978 A N 2.441 124.943 122.820 -0.529 0.000 2.615 978 A HA 0.310 4.630 4.320 0.000 0.000 0.230 978 A C 1.005 178.149 177.584 -0.734 0.000 1.062 978 A CA 1.091 52.701 52.037 -0.712 0.000 0.758 978 A CB 0.296 18.884 19.000 -0.686 0.000 0.995 978 A HN 0.939 nan 8.150 nan 0.000 0.511 979 R N 1.635 121.802 120.500 -0.554 0.000 2.884 979 R HA 0.727 5.067 4.340 0.000 0.000 0.199 979 R C 1.057 177.070 176.300 -0.479 0.000 1.508 979 R CA -0.033 55.749 56.100 -0.530 0.000 0.952 979 R CB -0.812 29.284 30.300 -0.340 0.000 2.325 979 R HN 2.013 nan 8.270 nan 0.000 0.514 980 G N 0.344 108.923 108.800 -0.369 0.000 2.574 980 G HA2 -0.314 3.646 3.960 0.000 0.000 0.295 980 G HA3 -0.314 3.646 3.960 0.000 0.000 0.295 980 G C -0.769 174.065 174.900 -0.110 0.000 1.300 980 G CA 0.371 45.334 45.100 -0.229 0.000 0.944 980 G HN 0.743 nan 8.290 nan 0.000 0.551 981 N N -1.313 117.362 118.700 -0.040 0.000 3.002 981 N HA 0.712 5.452 4.740 0.000 0.000 0.331 981 N C -0.671 174.902 175.510 0.105 0.000 1.384 981 N CA -0.413 52.690 53.050 0.087 0.000 0.780 981 N CB 1.421 39.935 38.487 0.044 0.000 1.492 981 N HN 0.856 nan 8.380 nan 0.000 0.608 982 L N 0.431 121.707 121.223 0.089 0.000 2.376 982 L HA 0.469 4.809 4.340 0.000 0.000 0.275 982 L C -1.319 175.631 176.870 0.133 0.000 0.987 982 L CA -0.604 54.244 54.840 0.014 0.000 0.828 982 L CB 1.040 42.999 42.059 -0.166 0.000 1.249 982 L HN 0.475 nan 8.230 nan 0.000 0.409 983 Y N 5.011 125.152 120.300 -0.266 0.000 2.352 983 Y HA 0.461 5.011 4.550 0.000 0.000 0.326 983 Y C -0.134 175.712 175.900 -0.091 0.000 1.166 983 Y CA -1.240 56.671 58.100 -0.316 0.000 1.182 983 Y CB 2.014 39.864 38.460 -1.016 0.000 1.216 983 Y HN 0.413 nan 8.280 nan 0.000 0.474 984 L N 4.994 126.406 121.223 0.315 0.000 2.417 984 L HA 0.393 4.733 4.340 0.000 0.000 0.259 984 L C -1.133 176.015 176.870 0.464 0.000 1.023 984 L CA -0.743 54.359 54.840 0.436 0.000 0.901 984 L CB 1.265 43.607 42.059 0.472 0.000 1.227 984 L HN 0.351 nan 8.230 nan 0.000 0.454 985 V N 0.545 120.808 119.914 0.582 0.000 2.760 985 V HA 0.383 4.503 4.120 0.000 0.000 0.309 985 V C -0.326 176.022 176.094 0.424 0.000 1.077 985 V CA -0.685 61.899 62.300 0.474 0.000 0.910 985 V CB 1.971 34.118 31.823 0.540 0.000 1.008 985 V HN 0.770 nan 8.190 nan 0.000 0.424 986 Q N 2.885 122.861 119.800 0.292 0.000 2.641 986 Q HA 0.230 4.570 4.340 0.000 0.000 0.225 986 Q C -0.423 175.537 176.000 -0.067 0.000 1.309 986 Q CA -0.001 55.860 55.803 0.096 0.000 0.935 986 Q CB 0.016 28.854 28.738 0.166 0.000 1.557 986 Q HN 0.933 nan 8.270 nan 0.000 0.563 987 T N 2.112 116.587 114.554 -0.131 0.000 2.728 987 T HA 0.446 4.796 4.350 0.000 0.000 0.296 987 T C -0.421 174.067 174.700 -0.354 0.000 0.940 987 T CA -0.310 61.692 62.100 -0.164 0.000 1.013 987 T CB 1.118 69.926 68.868 -0.100 0.000 0.912 987 T HN 0.484 nan 8.240 nan 0.000 0.484 988 A N 3.904 126.567 122.820 -0.262 0.000 2.654 988 A HA 0.582 4.902 4.320 0.000 0.000 0.345 988 A C 0.925 178.391 177.584 -0.197 0.000 1.368 988 A CA -0.795 51.058 52.037 -0.307 0.000 0.895 988 A CB -0.148 18.702 19.000 -0.251 0.000 1.143 988 A HN 0.809 nan 8.150 nan 0.000 0.490 989 T N -1.325 113.122 114.554 -0.178 0.000 2.902 989 T HA 0.436 4.786 4.350 0.000 0.000 0.287 989 T C 0.560 175.250 174.700 -0.017 0.000 1.048 989 T CA -0.169 61.909 62.100 -0.037 0.000 0.941 989 T CB 1.036 69.960 68.868 0.093 0.000 1.432 989 T HN 0.263 nan 8.240 nan 0.000 0.586 990 N N -1.652 117.087 118.700 0.065 0.000 2.028 990 N HA 0.244 4.984 4.740 0.000 0.000 0.230 990 N C 0.730 176.350 175.510 0.183 0.000 1.354 990 N CA 0.322 53.408 53.050 0.060 0.000 0.855 990 N CB 0.713 39.201 38.487 0.002 0.000 1.111 990 N HN 0.834 nan 8.380 nan 0.000 0.480 991 G N 0.119 109.077 108.800 0.262 0.000 2.494 991 G HA2 0.073 4.033 3.960 0.000 0.000 0.270 991 G HA3 0.073 4.033 3.960 0.000 0.000 0.270 991 G C -0.055 175.149 174.900 0.507 0.000 1.423 991 G CA -0.524 44.813 45.100 0.397 0.000 1.055 991 G HN 0.324 nan 8.290 nan 0.000 0.536 992 N N 0.570 119.379 118.700 0.183 0.000 2.605 992 N HA -0.030 4.710 4.740 0.000 0.000 0.282 992 N C 0.288 175.851 175.510 0.088 0.000 1.206 992 N CA -0.419 52.564 53.050 -0.111 0.000 1.074 992 N CB 0.057 38.329 38.487 -0.358 0.000 1.434 992 N HN 0.482 nan 8.380 nan 0.000 0.506 993 W N 3.327 124.659 121.300 0.052 0.000 2.257 993 W HA -0.001 4.659 4.660 0.000 0.000 0.337 993 W C -0.518 175.948 176.519 -0.089 0.000 1.321 993 W CA 0.077 57.416 57.345 -0.010 0.000 1.267 993 W CB 0.832 30.291 29.460 -0.000 0.000 1.187 993 W HN 0.254 nan 8.180 nan 0.000 0.565 994 S N 7.520 122.729 115.700 -0.819 0.000 2.216 994 S HA 0.261 4.731 4.470 0.000 0.000 0.156 994 S C -1.427 172.663 174.600 -0.850 0.000 1.665 994 S CA -1.262 56.537 58.200 -0.667 0.000 1.262 994 S CB 0.749 63.712 63.200 -0.396 0.000 1.207 994 S HN 0.317 nan 8.310 nan 0.000 0.427 995 P HA -0.205 nan 4.420 nan 0.000 0.215 995 P C 1.677 178.669 177.300 -0.514 0.000 1.163 995 P CA 1.441 64.198 63.100 -0.572 0.000 0.894 995 P CB 0.098 31.686 31.700 -0.186 0.000 0.791 996 M N -0.646 118.660 119.600 -0.490 0.000 2.494 996 M HA -0.040 4.440 4.480 0.000 0.000 0.270 996 M C 1.173 177.275 176.300 -0.329 0.000 1.092 996 M CA 1.293 56.330 55.300 -0.438 0.000 1.085 996 M CB -2.015 30.406 32.600 -0.298 0.000 1.211 996 M HN -0.189 nan 8.290 nan 0.000 0.481 997 A N 3.785 126.448 122.820 -0.262 0.000 2.544 997 A HA 0.326 4.646 4.320 0.000 0.000 0.301 997 A C -2.089 175.361 177.584 -0.223 0.000 1.368 997 A CA -1.149 50.761 52.037 -0.212 0.000 1.045 997 A CB -1.104 17.794 19.000 -0.171 0.000 1.129 997 A HN 0.242 nan 8.150 nan 0.000 0.540 998 P HA 0.190 nan 4.420 nan 0.000 0.287 998 P C 0.009 177.232 177.300 -0.129 0.000 1.294 998 P CA -0.005 62.988 63.100 -0.179 0.000 0.776 998 P CB 1.432 33.080 31.700 -0.087 0.000 0.889 999 V N 3.978 123.809 119.914 -0.137 0.000 2.881 999 V HA 0.486 4.606 4.120 0.000 0.000 0.303 999 V C 0.392 176.454 176.094 -0.054 0.000 1.070 999 V CA 0.998 63.244 62.300 -0.090 0.000 1.074 999 V CB 0.153 31.924 31.823 -0.086 0.000 1.012 999 V HN 1.135 nan 8.190 nan 0.000 0.482 1000 A N 3.766 126.568 122.820 -0.030 0.000 5.865 1000 A HA 0.221 4.541 4.320 0.000 0.000 0.441 1000 A C 0.333 177.930 177.584 0.023 0.000 1.559 1000 A CA 0.138 52.175 52.037 0.000 0.000 0.547 1000 A CB -1.815 17.192 19.000 0.012 0.000 2.441 1000 A HN 2.620 nan 8.150 nan 0.000 0.448 1001 A N 1.262 124.110 122.820 0.046 0.000 2.425 1001 A HA 0.621 4.941 4.320 0.000 0.000 0.249 1001 A C -1.154 176.515 177.584 0.142 0.000 1.084 1001 A CA -0.277 51.802 52.037 0.070 0.000 0.781 1001 A CB -0.510 18.531 19.000 0.067 0.000 1.019 1001 A HN 1.215 nan 8.150 nan 0.000 0.490 1002 P HA 0.219 nan 4.420 nan 0.000 0.271 1002 P C -2.660 174.912 177.300 0.453 0.000 1.216 1002 P CA -0.879 62.450 63.100 0.382 0.000 0.771 1002 P CB 0.189 32.030 31.700 0.235 0.000 0.864 1003 P HA 0.020 nan 4.420 nan 0.000 0.271 1003 P C 0.131 177.686 177.300 0.425 0.000 1.216 1003 P CA -0.100 63.266 63.100 0.442 0.000 0.776 1003 P CB 0.065 32.046 31.700 0.468 0.000 0.881 1004 F N 1.100 121.092 119.950 0.071 0.000 2.194 1004 F HA -0.167 4.360 4.527 0.000 0.000 0.197 1004 F C -0.556 175.268 175.800 0.040 0.000 1.020 1004 F CA -0.616 57.395 58.000 0.018 0.000 0.842 1004 F CB -2.343 36.635 39.000 -0.038 0.000 0.970 1004 F HN 0.233 nan 8.300 nan 0.000 0.788 1005 V N 2.274 122.091 119.914 -0.162 0.000 3.264 1005 V HA 0.563 4.683 4.120 0.000 0.000 0.304 1005 V C 1.082 177.072 176.094 -0.174 0.000 1.086 1005 V CA -0.504 61.691 62.300 -0.176 0.000 1.090 1005 V CB 0.990 32.792 31.823 -0.035 0.000 1.112 1005 V HN 1.155 nan 8.190 nan 0.000 0.472 1006 R N 1.764 122.189 120.500 -0.125 0.000 2.698 1006 R HA 0.397 4.737 4.340 0.000 0.000 0.266 1006 R C 1.132 177.418 176.300 -0.023 0.000 1.026 1006 R CA 1.206 57.271 56.100 -0.058 0.000 1.102 1006 R CB -0.225 30.061 30.300 -0.024 0.000 0.978 1006 R HN 2.275 nan 8.270 nan 0.000 0.436 1007 G N 1.915 110.710 108.800 -0.008 0.000 2.179 1007 G HA2 -0.245 3.715 3.960 0.000 0.000 0.257 1007 G HA3 -0.245 3.715 3.960 0.000 0.000 0.257 1007 G C 0.354 175.256 174.900 0.003 0.000 1.010 1007 G CA 0.259 45.356 45.100 -0.005 0.000 0.736 1007 G HN 0.979 nan 8.290 nan 0.000 0.513 1008 G N -0.528 108.282 108.800 0.018 0.000 2.547 1008 G HA2 0.635 4.595 3.960 0.000 0.000 0.291 1008 G HA3 0.635 4.595 3.960 0.000 0.000 0.291 1008 G C -2.067 172.852 174.900 0.031 0.000 1.211 1008 G CA -1.117 44.004 45.100 0.035 0.000 0.950 1008 G HN 0.176 nan 8.290 nan 0.000 0.504 1009 P HA 0.041 nan 4.420 nan 0.000 0.261 1009 P C -0.264 177.039 177.300 0.006 0.000 1.183 1009 P CA 0.134 63.243 63.100 0.015 0.000 0.761 1009 P CB 0.208 31.920 31.700 0.020 0.000 0.785 1010 N N 1.000 119.686 118.700 -0.024 0.000 2.650 1010 N HA -0.170 4.570 4.740 0.000 0.000 0.272 1010 N C -1.029 174.431 175.510 -0.083 0.000 1.058 1010 N CA 0.356 53.370 53.050 -0.061 0.000 0.765 1010 N CB -2.046 36.410 38.487 -0.053 0.000 0.902 1010 N HN 0.158 nan 8.380 nan 0.000 0.551 1011 V N 1.214 121.077 119.914 -0.084 0.000 2.462 1011 V HA 0.147 4.267 4.120 0.000 0.000 0.257 1011 V C 0.530 176.522 176.094 -0.170 0.000 0.944 1011 V CA -0.879 61.382 62.300 -0.064 0.000 0.903 1011 V CB 0.714 32.617 31.823 0.132 0.000 1.128 1011 V HN 0.502 nan 8.190 nan 0.000 0.486 1012 R N 1.521 121.774 120.500 -0.412 0.000 2.590 1012 R HA 0.452 4.792 4.340 0.000 0.000 0.274 1012 R C -0.160 175.895 176.300 -0.409 0.000 1.061 1012 R CA -0.137 55.680 56.100 -0.471 0.000 1.081 1012 R CB 0.473 30.358 30.300 -0.691 0.000 0.984 1012 R HN 0.204 nan 8.270 nan 0.000 0.448 1013 V N 1.569 121.395 119.914 -0.147 0.000 3.441 1013 V HA 0.179 4.299 4.120 0.000 0.000 0.300 1013 V C 0.345 176.532 176.094 0.155 0.000 1.062 1013 V CA -0.772 61.543 62.300 0.025 0.000 1.064 1013 V CB 1.576 33.410 31.823 0.018 0.000 1.197 1013 V HN 0.558 nan 8.190 nan 0.000 0.451 1014 V N 0.998 120.986 119.914 0.123 0.000 2.370 1014 V HA 0.504 4.624 4.120 0.000 0.000 0.283 1014 V C 0.759 176.855 176.094 0.003 0.000 1.023 1014 V CA -0.500 61.842 62.300 0.069 0.000 0.857 1014 V CB 0.871 32.461 31.823 -0.388 0.000 0.985 1014 V HN 1.007 nan 8.190 nan 0.000 0.443 1015 G N 3.967 112.806 108.800 0.065 0.000 2.305 1015 G HA2 0.126 4.086 3.960 0.000 0.000 0.243 1015 G HA3 0.126 4.086 3.960 0.000 0.000 0.243 1015 G C 1.067 175.962 174.900 -0.009 0.000 1.288 1015 G CA -0.303 44.824 45.100 0.044 0.000 0.901 1015 G HN 0.665 nan 8.290 nan 0.000 0.516 1016 R N 1.955 122.400 120.500 -0.092 0.000 2.301 1016 R HA -0.284 4.056 4.340 0.000 0.000 0.250 1016 R C 2.063 178.208 176.300 -0.259 0.000 1.102 1016 R CA 2.136 58.096 56.100 -0.234 0.000 0.933 1016 R CB -1.052 28.997 30.300 -0.419 0.000 0.955 1016 R HN 0.667 nan 8.270 nan 0.000 0.439 1017 F N -0.976 118.972 119.950 -0.004 0.000 2.186 1017 F HA 0.006 4.533 4.527 0.000 0.000 0.299 1017 F C 2.061 177.866 175.800 0.008 0.000 1.090 1017 F CA 1.489 59.490 58.000 0.002 0.000 1.307 1017 F CB -0.544 38.459 39.000 0.004 0.000 1.019 1017 F HN 0.422 nan 8.300 nan 0.000 0.489 1018 G N -0.169 108.724 108.800 0.155 0.000 2.143 1018 G HA2 -0.298 3.662 3.960 0.000 0.000 0.249 1018 G HA3 -0.298 3.662 3.960 0.000 0.000 0.249 1018 G C 0.555 175.520 174.900 0.109 0.000 0.981 1018 G CA 0.403 45.555 45.100 0.086 0.000 0.665 1018 G HN 0.562 nan 8.290 nan 0.000 0.528 1019 T N -0.002 114.627 114.554 0.125 0.000 2.932 1019 T HA 0.489 4.839 4.350 0.000 0.000 0.312 1019 T C 0.575 175.279 174.700 0.006 0.000 1.071 1019 T CA 0.011 62.151 62.100 0.066 0.000 1.128 1019 T CB 0.266 69.156 68.868 0.036 0.000 0.984 1019 T HN 0.486 nan 8.240 nan 0.000 0.549 1020 I N 5.479 126.025 120.570 -0.039 0.000 2.382 1020 I HA 0.286 4.456 4.170 0.000 0.000 0.285 1020 I C 0.059 176.076 176.117 -0.168 0.000 1.007 1020 I CA -1.170 60.045 61.300 -0.142 0.000 1.142 1020 I CB 1.778 39.615 38.000 -0.270 0.000 1.289 1020 I HN 0.553 nan 8.210 nan 0.000 0.453 1021 V N 6.289 126.122 119.914 -0.134 0.000 2.461 1021 V HA 0.529 4.649 4.120 0.000 0.000 0.275 1021 V C -2.338 173.664 176.094 -0.154 0.000 1.047 1021 V CA -1.681 60.549 62.300 -0.116 0.000 0.955 1021 V CB 0.597 32.379 31.823 -0.069 0.000 0.988 1021 V HN 0.488 nan 8.190 nan 0.000 0.471 1022 P HA 0.467 nan 4.420 nan 0.000 0.277 1022 P C -1.048 176.199 177.300 -0.088 0.000 1.240 1022 P CA -0.409 62.602 63.100 -0.148 0.000 0.798 1022 P CB 1.162 32.791 31.700 -0.118 0.000 0.979 1023 R N 1.966 122.421 120.500 -0.074 0.000 2.670 1023 R HA 0.517 4.857 4.340 0.000 0.000 0.289 1023 R C -1.738 174.542 176.300 -0.033 0.000 0.965 1023 R CA -2.214 53.858 56.100 -0.046 0.000 0.899 1023 R CB 0.252 30.527 30.300 -0.040 0.000 1.173 1023 R HN 0.471 nan 8.270 nan 0.000 0.456 1024 P HA -0.056 nan 4.420 nan 0.000 0.286 1024 P C -0.662 176.630 177.300 -0.014 0.000 1.278 1024 P CA -0.423 62.667 63.100 -0.017 0.000 0.785 1024 P CB 0.213 31.905 31.700 -0.014 0.000 1.269 1025 N N -0.179 118.515 118.700 -0.010 0.000 2.822 1025 N HA -0.156 4.584 4.740 0.000 0.000 0.307 1025 N C 1.048 176.553 175.510 -0.008 0.000 1.153 1025 N CA 1.734 54.779 53.050 -0.008 0.000 0.852 1025 N CB -1.684 36.799 38.487 -0.007 0.000 1.039 1025 N HN 0.878 nan 8.380 nan 0.000 0.597 1026 G N 1.252 110.047 108.800 -0.008 0.000 2.290 1026 G HA2 -0.230 3.730 3.960 0.000 0.000 0.270 1026 G HA3 -0.230 3.730 3.960 0.000 0.000 0.270 1026 G C -0.240 174.655 174.900 -0.010 0.000 0.891 1026 G CA 0.036 45.132 45.100 -0.008 0.000 1.321 1026 G HN 0.600 nan 8.290 nan 0.000 0.425 1027 L N 0.407 121.622 121.223 -0.014 0.000 2.422 1027 L HA 0.433 4.773 4.340 0.000 0.000 0.264 1027 L C 0.078 176.934 176.870 -0.023 0.000 0.984 1027 L CA -1.397 53.434 54.840 -0.015 0.000 0.819 1027 L CB 1.747 43.797 42.059 -0.016 0.000 1.330 1027 L HN 0.114 nan 8.230 nan 0.000 0.410 1028 E N 2.205 122.393 120.200 -0.020 0.000 2.452 1028 E HA 0.083 4.433 4.350 0.000 0.000 0.261 1028 E C -2.311 174.253 176.600 -0.059 0.000 0.987 1028 E CA -1.560 54.822 56.400 -0.029 0.000 0.926 1028 E CB 0.038 29.730 29.700 -0.013 0.000 0.934 1028 E HN 0.203 nan 8.360 nan 0.000 0.452 1029 P HA 0.059 nan 4.420 nan 0.000 0.270 1029 P C -0.424 176.783 177.300 -0.156 0.000 1.242 1029 P CA -0.057 62.930 63.100 -0.189 0.000 0.768 1029 P CB 0.459 31.937 31.700 -0.370 0.000 0.820 1030 Q N 2.365 122.100 119.800 -0.109 0.000 2.332 1030 Q HA 0.225 4.565 4.340 0.000 0.000 0.263 1030 Q C -0.422 175.523 176.000 -0.093 0.000 0.979 1030 Q CA 0.146 55.916 55.803 -0.053 0.000 0.885 1030 Q CB 0.346 29.077 28.738 -0.012 0.000 1.218 1030 Q HN 0.317 nan 8.270 nan 0.000 0.405 1031 L N 5.388 126.561 121.223 -0.083 0.000 2.259 1031 L HA 0.291 4.631 4.340 0.000 0.000 0.288 1031 L C -0.832 176.054 176.870 0.028 0.000 1.051 1031 L CA -0.485 54.252 54.840 -0.172 0.000 0.824 1031 L CB 0.316 42.017 42.059 -0.596 0.000 1.206 1031 L HN 0.638 nan 8.230 nan 0.000 0.429 1032 I N 5.538 126.129 120.570 0.035 0.000 2.907 1032 I HA -0.104 4.066 4.170 0.000 0.000 0.285 1032 I C 1.048 177.273 176.117 0.182 0.000 1.189 1032 I CA 0.341 61.702 61.300 0.101 0.000 1.376 1032 I CB -0.576 37.473 38.000 0.082 0.000 1.420 1032 I HN 0.622 nan 8.210 nan 0.000 0.544 1033 D N 5.132 125.682 120.400 0.250 0.000 2.380 1033 D HA -0.082 4.558 4.640 0.000 0.000 0.254 1033 D C 0.787 177.172 176.300 0.142 0.000 1.288 1033 D CA -0.214 53.953 54.000 0.278 0.000 1.008 1033 D CB 0.783 41.679 40.800 0.161 0.000 1.099 1033 D HN 0.487 nan 8.370 nan 0.000 0.537 1034 D N -0.445 120.010 120.400 0.091 0.000 2.087 1034 D HA -0.094 4.546 4.640 0.000 0.000 0.192 1034 D C 2.094 178.420 176.300 0.043 0.000 0.993 1034 D CA 2.386 56.416 54.000 0.050 0.000 0.828 1034 D CB -0.837 39.976 40.800 0.021 0.000 0.968 1034 D HN 0.595 nan 8.370 nan 0.000 0.448 1035 G N -0.572 108.247 108.800 0.032 0.000 2.564 1035 G HA2 -0.306 3.654 3.960 0.000 0.000 0.216 1035 G HA3 -0.306 3.654 3.960 0.000 0.000 0.216 1035 G C 0.495 175.421 174.900 0.044 0.000 1.124 1035 G CA 1.021 46.139 45.100 0.029 0.000 0.764 1035 G HN 0.532 nan 8.290 nan 0.000 0.550 1036 N N -1.994 116.743 118.700 0.062 0.000 2.858 1036 N HA -0.174 4.566 4.740 0.000 0.000 0.247 1036 N C -0.883 174.662 175.510 0.057 0.000 1.092 1036 N CA 0.738 53.832 53.050 0.073 0.000 0.675 1036 N CB -1.288 37.244 38.487 0.074 0.000 0.959 1036 N HN 0.201 nan 8.380 nan 0.000 0.558 1037 V N 1.812 121.763 119.914 0.062 0.000 2.629 1037 V HA 0.356 4.476 4.120 0.000 0.000 0.263 1037 V C -2.026 174.111 176.094 0.072 0.000 0.959 1037 V CA -0.965 61.365 62.300 0.051 0.000 0.869 1037 V CB 1.615 33.460 31.823 0.037 0.000 1.060 1037 V HN 0.266 nan 8.190 nan 0.000 0.474 1038 P HA -0.068 nan 4.420 nan 0.000 0.257 1038 P C -0.198 177.171 177.300 0.115 0.000 1.144 1038 P CA 0.835 63.986 63.100 0.086 0.000 0.761 1038 P CB 0.885 32.608 31.700 0.038 0.000 0.734 1039 R N 2.149 122.779 120.500 0.217 0.000 2.943 1039 R HA 0.393 4.733 4.340 0.000 0.000 0.246 1039 R C 0.033 176.515 176.300 0.303 0.000 1.201 1039 R CA -0.889 55.362 56.100 0.250 0.000 1.056 1039 R CB 0.891 31.345 30.300 0.256 0.000 1.243 1039 R HN 0.492 nan 8.270 nan 0.000 0.498 1040 D N 0.487 121.068 120.400 0.302 0.000 2.163 1040 D HA 0.140 4.780 4.640 0.000 0.000 0.248 1040 D C 1.162 177.678 176.300 0.360 0.000 1.035 1040 D CA -0.500 53.639 54.000 0.230 0.000 0.872 1040 D CB 1.215 42.087 40.800 0.120 0.000 1.183 1040 D HN 0.432 nan 8.370 nan 0.000 0.445 1041 I N 0.551 121.183 120.570 0.104 0.000 2.248 1041 I HA -0.240 3.930 4.170 0.000 0.000 0.248 1041 I C 1.540 177.755 176.117 0.163 0.000 1.107 1041 I CA 1.217 62.502 61.300 -0.024 0.000 1.373 1041 I CB -0.330 37.572 38.000 -0.165 0.000 1.055 1041 I HN 0.430 nan 8.210 nan 0.000 0.418 1042 A N 1.476 124.377 122.820 0.135 0.000 2.785 1042 A HA 0.518 4.838 4.320 0.000 0.000 0.294 1042 A C 0.613 178.289 177.584 0.153 0.000 1.597 1042 A CA 0.725 52.826 52.037 0.106 0.000 1.283 1042 A CB -1.058 17.972 19.000 0.049 0.000 1.088 1042 A HN 0.509 nan 8.150 nan 0.000 0.568 1043 G N 0.696 109.622 108.800 0.210 0.000 2.562 1043 G HA2 0.465 4.425 3.960 0.000 0.000 0.190 1043 G HA3 0.465 4.425 3.960 0.000 0.000 0.190 1043 G C -1.920 172.991 174.900 0.018 0.000 1.196 1043 G CA -0.498 44.661 45.100 0.098 0.000 0.986 1043 G HN 0.343 nan 8.290 nan 0.000 0.512 1044 D N 0.079 120.370 120.400 -0.182 0.000 2.505 1044 D HA 0.556 5.196 4.640 0.000 0.000 0.250 1044 D C -1.301 174.845 176.300 -0.256 0.000 1.164 1044 D CA 0.012 53.798 54.000 -0.357 0.000 0.870 1044 D CB 1.284 41.761 40.800 -0.537 0.000 1.160 1044 D HN 0.330 nan 8.370 nan 0.000 0.549 1045 W N 1.763 123.098 121.300 0.058 0.000 2.578 1045 W HA 0.623 5.283 4.660 0.000 0.000 0.346 1045 W C -0.548 176.226 176.519 0.425 0.000 1.075 1045 W CA -0.906 56.587 57.345 0.246 0.000 1.233 1045 W CB 1.258 30.869 29.460 0.252 0.000 1.358 1045 W HN 0.009 nan 8.180 nan 0.000 0.574 1046 V N 3.042 123.246 119.914 0.483 0.000 2.325 1046 V HA 0.151 4.271 4.120 0.000 0.000 0.280 1046 V C -1.220 175.085 176.094 0.351 0.000 1.016 1046 V CA -1.079 61.443 62.300 0.370 0.000 0.818 1046 V CB 0.159 32.094 31.823 0.185 0.000 1.019 1046 V HN 0.366 nan 8.190 nan 0.000 0.434 1047 Y N 6.252 126.733 120.300 0.302 0.000 2.627 1047 Y HA 0.323 4.873 4.550 0.000 0.000 0.347 1047 Y C -2.021 173.975 175.900 0.161 0.000 1.099 1047 Y CA -2.405 55.846 58.100 0.252 0.000 1.408 1047 Y CB 1.060 39.687 38.460 0.279 0.000 1.247 1047 Y HN 0.507 nan 8.280 nan 0.000 0.506 1048 P HA -0.092 nan 4.420 nan 0.000 0.256 1048 P C 0.964 178.348 177.300 0.140 0.000 1.189 1048 P CA 0.664 63.831 63.100 0.111 0.000 0.808 1048 P CB 0.946 32.667 31.700 0.035 0.000 0.793 1049 S N 3.752 119.545 115.700 0.156 0.000 2.451 1049 S HA -0.354 4.116 4.470 0.000 0.000 0.272 1049 S C 1.321 175.962 174.600 0.068 0.000 1.136 1049 S CA 2.505 60.780 58.200 0.126 0.000 1.209 1049 S CB -0.880 62.387 63.200 0.112 0.000 1.130 1049 S HN 0.474 nan 8.310 nan 0.000 0.440 1050 D N 0.028 120.443 120.400 0.025 0.000 2.157 1050 D HA -0.131 4.509 4.640 0.000 0.000 0.191 1050 D C 2.017 178.307 176.300 -0.015 0.000 1.004 1050 D CA 1.658 55.638 54.000 -0.034 0.000 0.854 1050 D CB -0.521 40.229 40.800 -0.084 0.000 0.936 1050 D HN 0.339 nan 8.370 nan 0.000 0.446 1051 V N 0.896 120.820 119.914 0.017 0.000 2.252 1051 V HA -0.236 3.884 4.120 0.000 0.000 0.249 1051 V C 2.351 178.533 176.094 0.148 0.000 1.056 1051 V CA 1.246 63.571 62.300 0.042 0.000 1.022 1051 V CB -0.582 31.236 31.823 -0.009 0.000 0.641 1051 V HN 0.353 nan 8.190 nan 0.000 0.445 1052 L N 0.047 121.424 121.223 0.257 0.000 2.447 1052 L HA -0.199 4.142 4.340 0.000 0.000 0.225 1052 L C 2.317 179.157 176.870 -0.051 0.000 1.148 1052 L CA 1.863 56.804 54.840 0.169 0.000 0.808 1052 L CB -0.773 41.303 42.059 0.028 0.000 0.928 1052 L HN 0.550 nan 8.230 nan 0.000 0.448 1053 Q N -0.757 119.014 119.800 -0.049 0.000 2.204 1053 Q HA -0.023 4.317 4.340 0.000 0.000 0.198 1053 Q C 1.552 177.508 176.000 -0.073 0.000 0.946 1053 Q CA 1.295 57.032 55.803 -0.110 0.000 0.859 1053 Q CB 0.196 28.869 28.738 -0.110 0.000 0.946 1053 Q HN 0.565 nan 8.270 nan 0.000 0.474 1054 V N -1.999 117.901 119.914 -0.024 0.000 3.252 1054 V HA 0.264 4.384 4.120 0.000 0.000 0.350 1054 V C 0.895 177.014 176.094 0.041 0.000 1.329 1054 V CA 0.586 62.886 62.300 0.001 0.000 1.258 1054 V CB 0.557 32.387 31.823 0.012 0.000 1.208 1054 V HN 0.107 nan 8.190 nan 0.000 0.462 1055 S N -1.469 114.258 115.700 0.045 0.000 2.560 1055 S HA 0.097 4.567 4.470 0.000 0.000 0.281 1055 S C 1.411 176.067 174.600 0.094 0.000 1.075 1055 S CA 0.887 59.151 58.200 0.106 0.000 1.295 1055 S CB 0.534 63.857 63.200 0.205 0.000 1.156 1055 S HN 0.192 nan 8.310 nan 0.000 0.627 1056 V N 3.227 123.137 119.914 -0.006 0.000 2.257 1056 V HA -0.351 3.769 4.120 0.000 0.000 0.257 1056 V C 3.015 179.116 176.094 0.010 0.000 1.077 1056 V CA 2.559 64.823 62.300 -0.060 0.000 1.063 1056 V CB -1.507 30.175 31.823 -0.234 0.000 0.664 1056 V HN 0.693 nan 8.190 nan 0.000 0.450 1057 A N -1.189 121.621 122.820 -0.016 0.000 1.985 1057 A HA -0.261 4.059 4.320 0.000 0.000 0.223 1057 A C 2.324 179.919 177.584 0.019 0.000 1.189 1057 A CA 2.750 54.780 52.037 -0.012 0.000 0.658 1057 A CB -0.703 18.294 19.000 -0.005 0.000 0.820 1057 A HN 0.415 nan 8.150 nan 0.000 0.464 1058 V N -2.014 117.954 119.914 0.090 0.000 2.326 1058 V HA -0.071 4.049 4.120 0.000 0.000 0.238 1058 V C 2.058 178.244 176.094 0.153 0.000 1.038 1058 V CA 1.454 63.850 62.300 0.160 0.000 1.032 1058 V CB -0.919 31.035 31.823 0.219 0.000 0.675 1058 V HN 0.609 nan 8.190 nan 0.000 0.467 1059 F N 1.805 121.772 119.950 0.030 0.000 2.039 1059 F HA -0.368 4.159 4.527 0.000 0.000 0.296 1059 F C 2.635 178.412 175.800 -0.038 0.000 1.119 1059 F CA 2.788 60.766 58.000 -0.038 0.000 1.211 1059 F CB -0.439 38.435 39.000 -0.210 0.000 0.956 1059 F HN 0.002 nan 8.300 nan 0.000 0.496 1060 R N -0.065 120.601 120.500 0.277 0.000 2.193 1060 R HA -0.157 4.183 4.340 0.000 0.000 0.229 1060 R C 1.173 177.487 176.300 0.024 0.000 1.110 1060 R CA 1.881 58.078 56.100 0.162 0.000 0.988 1060 R CB -0.448 29.864 30.300 0.020 0.000 0.871 1060 R HN 0.356 nan 8.270 nan 0.000 0.458 1061 D N -1.472 118.837 120.400 -0.152 0.000 2.367 1061 D HA -0.004 4.636 4.640 0.000 0.000 0.207 1061 D C 0.320 176.204 176.300 -0.693 0.000 1.034 1061 D CA 0.732 54.462 54.000 -0.450 0.000 0.861 1061 D CB 0.366 40.763 40.800 -0.673 0.000 0.943 1061 D HN 0.313 nan 8.370 nan 0.000 0.515 1062 Y N -1.043 119.206 120.300 -0.085 0.000 2.619 1062 Y HA 0.036 4.586 4.550 0.000 0.000 0.273 1062 Y C 2.040 177.814 175.900 -0.211 0.000 1.175 1062 Y CA -0.069 57.953 58.100 -0.129 0.000 1.157 1062 Y CB 0.006 38.392 38.460 -0.123 0.000 1.329 1062 Y HN -0.113 nan 8.280 nan 0.000 0.503 1063 V N -2.430 117.367 119.914 -0.195 0.000 2.599 1063 V HA -0.093 4.027 4.120 0.000 0.000 0.245 1063 V C 1.896 177.789 176.094 -0.336 0.000 1.046 1063 V CA 1.056 63.126 62.300 -0.383 0.000 1.065 1063 V CB -0.659 30.758 31.823 -0.677 0.000 0.703 1063 V HN 0.612 nan 8.190 nan 0.000 0.464 1064 W N 2.005 122.943 121.300 -0.604 0.000 2.354 1064 W HA -0.063 4.597 4.660 0.000 0.000 0.315 1064 W C -0.517 175.871 176.519 -0.219 0.000 1.206 1064 W CA 1.859 58.995 57.345 -0.350 0.000 1.290 1064 W CB -1.105 28.264 29.460 -0.151 0.000 1.152 1064 W HN 0.337 nan 8.180 nan 0.000 0.489 1065 P HA -0.224 nan 4.420 nan 0.000 0.220 1065 P C 1.528 178.655 177.300 -0.289 0.000 1.144 1065 P CA 1.685 64.614 63.100 -0.284 0.000 0.800 1065 P CB -0.249 31.364 31.700 -0.146 0.000 0.772 1066 M N -1.137 118.319 119.600 -0.241 0.000 2.160 1066 M HA -0.059 4.421 4.480 0.000 0.000 0.264 1066 M C 1.908 178.076 176.300 -0.220 0.000 1.073 1066 M CA 1.388 56.576 55.300 -0.186 0.000 1.142 1066 M CB -1.294 31.222 32.600 -0.139 0.000 1.358 1066 M HN -0.277 nan 8.290 nan 0.000 0.422 1067 V N 0.274 120.015 119.914 -0.287 0.000 2.392 1067 V HA -0.321 3.799 4.120 0.000 0.000 0.249 1067 V C 2.241 178.127 176.094 -0.346 0.000 1.059 1067 V CA 1.651 63.798 62.300 -0.254 0.000 1.051 1067 V CB -0.830 30.874 31.823 -0.198 0.000 0.658 1067 V HN 0.453 nan 8.190 nan 0.000 0.455 1068 K N 0.430 120.438 120.400 -0.653 0.000 2.026 1068 K HA -0.119 4.201 4.320 0.000 0.000 0.208 1068 K C 2.227 178.716 176.600 -0.185 0.000 1.048 1068 K CA 1.476 57.472 56.287 -0.484 0.000 0.929 1068 K CB -0.470 31.648 32.500 -0.638 0.000 0.713 1068 K HN 0.466 nan 8.250 nan 0.000 0.439 1069 A N 0.863 123.566 122.820 -0.195 0.000 2.186 1069 A HA -0.029 4.291 4.320 0.000 0.000 0.219 1069 A C 1.283 178.827 177.584 -0.067 0.000 1.159 1069 A CA 1.248 53.218 52.037 -0.112 0.000 0.680 1069 A CB -0.793 18.144 19.000 -0.105 0.000 0.787 1069 A HN 0.494 nan 8.150 nan 0.000 0.467 1070 G N -1.308 107.459 108.800 -0.055 0.000 2.289 1070 G HA2 -0.236 3.724 3.960 0.000 0.000 0.280 1070 G HA3 -0.236 3.724 3.960 0.000 0.000 0.280 1070 G C 0.304 175.193 174.900 -0.019 0.000 1.089 1070 G CA 0.438 45.531 45.100 -0.013 0.000 0.939 1070 G HN 0.587 nan 8.290 nan 0.000 0.499 1071 R N -0.840 119.642 120.500 -0.029 0.000 2.563 1071 R HA 0.394 4.734 4.340 0.000 0.000 0.443 1071 R C 0.519 176.814 176.300 -0.008 0.000 0.956 1071 R CA 0.554 56.642 56.100 -0.020 0.000 1.141 1071 R CB 1.114 31.400 30.300 -0.023 0.000 1.553 1071 R HN 0.353 nan 8.270 nan 0.000 0.577 1072 T N 0.261 114.810 114.554 -0.007 0.000 3.824 1072 T HA 0.158 4.508 4.350 0.000 0.000 0.232 1072 T C -0.988 173.726 174.700 0.023 0.000 0.927 1072 T CA -0.602 61.514 62.100 0.027 0.000 1.620 1072 T CB -0.047 68.843 68.868 0.038 0.000 0.762 1072 T HN 0.123 nan 8.240 nan 0.000 0.619 1073 R N 1.388 121.842 120.500 -0.077 0.000 2.486 1073 R HA 0.346 4.686 4.340 0.000 0.000 0.303 1073 R C 0.476 176.680 176.300 -0.161 0.000 0.958 1073 R CA -0.101 55.925 56.100 -0.124 0.000 1.077 1073 R CB 0.295 30.401 30.300 -0.322 0.000 0.921 1073 R HN 0.342 nan 8.270 nan 0.000 0.406 1074 V N 3.027 123.043 119.914 0.171 0.000 2.680 1074 V HA 0.516 4.636 4.120 0.000 0.000 0.309 1074 V C -0.596 175.814 176.094 0.527 0.000 1.052 1074 V CA -1.111 61.436 62.300 0.411 0.000 0.908 1074 V CB 1.903 34.005 31.823 0.465 0.000 1.001 1074 V HN 0.729 nan 8.190 nan 0.000 0.431 1075 L N 6.054 127.667 121.223 0.650 0.000 2.277 1075 L HA 0.616 4.956 4.340 0.000 0.000 0.284 1075 L C -0.725 176.383 176.870 0.398 0.000 1.028 1075 L CA -0.567 54.526 54.840 0.421 0.000 0.835 1075 L CB 1.425 43.553 42.059 0.115 0.000 1.215 1075 L HN 0.702 nan 8.230 nan 0.000 0.425 1076 V N 5.071 125.181 119.914 0.328 0.000 2.427 1076 V HA 0.109 4.229 4.120 0.000 0.000 0.268 1076 V C 0.459 176.690 176.094 0.228 0.000 1.046 1076 V CA -0.258 62.203 62.300 0.267 0.000 0.970 1076 V CB 1.187 33.098 31.823 0.146 0.000 1.001 1076 V HN 0.753 nan 8.190 nan 0.000 0.476 1077 E N 6.788 127.125 120.200 0.227 0.000 2.042 1077 E HA 0.412 4.762 4.350 0.000 0.000 0.260 1077 E C -0.807 175.886 176.600 0.155 0.000 0.975 1077 E CA -0.489 56.013 56.400 0.170 0.000 0.799 1077 E CB 0.443 30.230 29.700 0.145 0.000 1.131 1077 E HN 0.737 nan 8.360 nan 0.000 0.423 1078 L N 1.589 122.919 121.223 0.179 0.000 2.356 1078 L HA 0.708 5.048 4.340 0.000 0.000 0.277 1078 L C 0.998 177.976 176.870 0.181 0.000 0.996 1078 L CA -1.050 53.912 54.840 0.204 0.000 0.822 1078 L CB 1.484 43.708 42.059 0.274 0.000 1.256 1078 L HN 0.445 nan 8.230 nan 0.000 0.413 1079 G N 2.249 111.123 108.800 0.123 0.000 2.838 1079 G HA2 -0.201 3.759 3.960 0.000 0.000 0.215 1079 G HA3 -0.201 3.759 3.960 0.000 0.000 0.215 1079 G C -0.178 174.555 174.900 -0.278 0.000 1.327 1079 G CA 0.888 45.985 45.100 -0.004 0.000 0.802 1079 G HN 0.788 nan 8.290 nan 0.000 0.658 1080 H N -1.299 117.775 119.070 0.006 0.000 2.823 1080 H HA 0.535 5.091 4.556 0.000 0.000 0.332 1080 H C -0.967 174.304 175.328 -0.095 0.000 0.980 1080 H CA -0.938 55.003 56.048 -0.178 0.000 1.286 1080 H CB 1.130 30.815 29.762 -0.129 0.000 1.541 1080 H HN 0.539 nan 8.280 nan 0.000 0.521 1081 Y N -0.235 120.143 120.300 0.129 0.000 2.568 1081 Y HA 0.724 5.274 4.550 0.000 0.000 0.327 1081 Y C -0.498 175.331 175.900 -0.118 0.000 1.163 1081 Y CA -1.668 56.504 58.100 0.119 0.000 1.219 1081 Y CB 0.117 38.740 38.460 0.273 0.000 1.308 1081 Y HN 0.252 nan 8.280 nan 0.000 0.503 1082 V N 1.941 121.747 119.914 -0.180 0.000 2.686 1082 V HA 0.204 4.324 4.120 0.000 0.000 0.295 1082 V C -0.951 175.364 176.094 0.368 0.000 1.057 1082 V CA -0.670 61.537 62.300 -0.156 0.000 1.012 1082 V CB 0.330 31.818 31.823 -0.557 0.000 1.006 1082 V HN 0.779 nan 8.190 nan 0.000 0.477 1083 Y N 0.644 121.047 120.300 0.173 0.000 2.327 1083 Y HA 0.682 5.232 4.550 0.000 0.000 0.325 1083 Y C -0.282 175.737 175.900 0.199 0.000 0.999 1083 Y CA -1.493 56.772 58.100 0.276 0.000 1.195 1083 Y CB 0.465 39.219 38.460 0.489 0.000 1.132 1083 Y HN 0.494 nan 8.280 nan 0.000 0.455 1084 T N 6.107 120.649 114.554 -0.019 0.000 2.869 1084 T HA 0.518 4.868 4.350 0.000 0.000 0.295 1084 T C 0.173 174.876 174.700 0.006 0.000 0.987 1084 T CA -0.286 61.772 62.100 -0.069 0.000 1.109 1084 T CB 0.495 69.364 68.868 0.002 0.000 0.932 1084 T HN 0.642 nan 8.240 nan 0.000 0.518 1085 L N 2.387 123.588 121.223 -0.036 0.000 2.365 1085 L HA 0.555 4.895 4.340 0.000 0.000 0.267 1085 L C 0.192 177.098 176.870 0.059 0.000 1.033 1085 L CA -0.934 53.902 54.840 -0.008 0.000 0.802 1085 L CB 1.287 43.270 42.059 -0.127 0.000 1.267 1085 L HN 0.759 nan 8.230 nan 0.000 0.457 1086 H N 0.551 119.543 119.070 -0.131 0.000 3.198 1086 H HA 0.281 4.837 4.556 0.000 0.000 0.317 1086 H C -1.675 173.627 175.328 -0.045 0.000 1.178 1086 H CA -0.708 55.342 56.048 0.005 0.000 1.609 1086 H CB 0.673 30.497 29.762 0.103 0.000 1.819 1086 H HN 0.424 nan 8.280 nan 0.000 0.533 1087 Y N 4.873 125.387 120.300 0.357 0.000 2.393 1087 Y HA 0.089 4.639 4.550 0.000 0.000 0.338 1087 Y C 0.063 176.093 175.900 0.217 0.000 1.029 1087 Y CA -0.118 58.065 58.100 0.137 0.000 1.239 1087 Y CB 0.072 38.565 38.460 0.056 0.000 1.170 1087 Y HN 0.491 nan 8.280 nan 0.000 0.515 1088 Y N -0.643 119.812 120.300 0.258 0.000 2.654 1088 Y HA 0.626 5.176 4.550 0.000 0.000 0.328 1088 Y C -0.710 175.312 175.900 0.202 0.000 1.174 1088 Y CA -2.202 56.013 58.100 0.192 0.000 1.293 1088 Y CB 0.715 39.193 38.460 0.030 0.000 1.464 1088 Y HN 0.408 nan 8.280 nan 0.000 0.559 1089 D N 1.916 122.583 120.400 0.445 0.000 2.427 1089 D HA 0.323 4.963 4.640 0.000 0.000 0.226 1089 D C -1.846 174.677 176.300 0.371 0.000 1.076 1089 D CA -2.967 51.213 54.000 0.300 0.000 0.849 1089 D CB 1.360 42.284 40.800 0.207 0.000 1.052 1089 D HN 0.344 nan 8.370 nan 0.000 0.515 1090 P HA -0.250 nan 4.420 nan 0.000 0.219 1090 P C 1.091 178.417 177.300 0.043 0.000 1.144 1090 P CA 0.985 64.247 63.100 0.270 0.000 0.806 1090 P CB 0.536 32.382 31.700 0.242 0.000 0.771 1091 Q N 0.326 120.156 119.800 0.050 0.000 1.921 1091 Q HA -0.056 4.284 4.340 0.000 0.000 0.208 1091 Q C 1.652 177.661 176.000 0.017 0.000 0.994 1091 Q CA 0.931 56.742 55.803 0.014 0.000 0.857 1091 Q CB -0.934 27.846 28.738 0.069 0.000 0.925 1091 Q HN 0.352 nan 8.270 nan 0.000 0.421 1092 I N 1.577 122.179 120.570 0.053 0.000 2.938 1092 I HA -0.081 4.089 4.170 0.000 0.000 0.285 1092 I C 0.864 176.983 176.117 0.004 0.000 1.182 1092 I CA -0.159 61.161 61.300 0.033 0.000 1.388 1092 I CB 0.581 38.615 38.000 0.057 0.000 1.390 1092 I HN 0.145 nan 8.210 nan 0.000 0.600 1093 S N 6.054 121.735 115.700 -0.032 0.000 2.601 1093 S HA 0.726 5.196 4.470 0.000 0.000 0.271 1093 S C -0.581 173.952 174.600 -0.113 0.000 1.305 1093 S CA -0.750 57.400 58.200 -0.084 0.000 1.022 1093 S CB 1.682 64.834 63.200 -0.081 0.000 0.940 1093 S HN 0.621 nan 8.310 nan 0.000 0.525 1094 L N 0.380 121.479 121.223 -0.208 0.000 2.612 1094 L HA 0.680 5.020 4.340 0.000 0.000 0.256 1094 L C -2.385 174.297 176.870 -0.313 0.000 0.949 1094 L CA -0.625 54.068 54.840 -0.244 0.000 0.867 1094 L CB 2.202 44.049 42.059 -0.353 0.000 1.417 1094 L HN 0.840 nan 8.230 nan 0.000 0.414 1095 D N 2.134 122.409 120.400 -0.208 0.000 2.440 1095 D HA 0.145 4.785 4.640 0.000 0.000 0.252 1095 D C 0.313 176.567 176.300 -0.076 0.000 1.180 1095 D CA -0.351 53.533 54.000 -0.193 0.000 0.894 1095 D CB 1.521 42.263 40.800 -0.096 0.000 1.111 1095 D HN 0.703 nan 8.370 nan 0.000 0.544 1096 E N 2.734 122.861 120.200 -0.122 0.000 2.517 1096 E HA -0.210 4.140 4.350 0.000 0.000 0.207 1096 E C 1.256 178.046 176.600 0.318 0.000 1.144 1096 E CA 0.542 56.995 56.400 0.089 0.000 0.920 1096 E CB 0.045 29.839 29.700 0.156 0.000 0.867 1096 E HN 0.668 nan 8.360 nan 0.000 0.580 1097 A N 1.305 124.345 122.820 0.366 0.000 1.873 1097 A HA -0.075 4.245 4.320 0.000 0.000 0.215 1097 A C -0.357 177.392 177.584 0.275 0.000 1.186 1097 A CA 0.710 52.981 52.037 0.391 0.000 0.616 1097 A CB -1.098 18.069 19.000 0.277 0.000 0.823 1097 A HN 0.242 nan 8.150 nan 0.000 0.442 1098 P HA -0.018 nan 4.420 nan 0.000 0.221 1098 P C 0.788 178.176 177.300 0.147 0.000 1.150 1098 P CA 0.678 63.869 63.100 0.151 0.000 0.800 1098 P CB -0.067 31.700 31.700 0.112 0.000 0.787 1099 I N -1.484 119.188 120.570 0.170 0.000 3.680 1099 I HA -0.036 4.134 4.170 0.000 0.000 0.306 1099 I C 1.499 177.707 176.117 0.153 0.000 1.260 1099 I CA 0.467 61.871 61.300 0.173 0.000 1.201 1099 I CB -0.198 37.936 38.000 0.223 0.000 1.009 1099 I HN 0.017 nan 8.210 nan 0.000 0.467 1100 L N -0.154 121.165 121.223 0.160 0.000 2.678 1100 L HA 0.177 4.517 4.340 0.000 0.000 0.211 1100 L C 2.071 178.973 176.870 0.052 0.000 1.043 1100 L CA 1.132 56.048 54.840 0.127 0.000 0.881 1100 L CB -0.301 41.868 42.059 0.185 0.000 1.361 1100 L HN 0.105 nan 8.230 nan 0.000 0.484 1101 E N 0.253 120.481 120.200 0.047 0.000 2.160 1101 E HA -0.268 4.082 4.350 0.000 0.000 0.195 1101 E C 1.730 178.292 176.600 -0.062 0.000 0.991 1101 E CA 1.579 57.943 56.400 -0.060 0.000 0.810 1101 E CB 0.158 29.926 29.700 0.114 0.000 0.742 1101 E HN 0.439 nan 8.360 nan 0.000 0.466 1102 E N 0.013 120.228 120.200 0.024 0.000 2.072 1102 E HA -0.203 4.147 4.350 0.000 0.000 0.191 1102 E C 1.820 178.420 176.600 -0.001 0.000 0.985 1102 E CA 0.950 57.358 56.400 0.014 0.000 0.801 1102 E CB -0.163 29.572 29.700 0.058 0.000 0.750 1102 E HN 0.357 nan 8.360 nan 0.000 0.452 1103 W N 1.524 122.744 121.300 -0.133 0.000 2.342 1103 W HA -0.174 4.487 4.660 0.000 0.000 0.297 1103 W C 1.739 178.119 176.519 -0.231 0.000 1.213 1103 W CA 1.427 58.674 57.345 -0.163 0.000 1.251 1103 W CB -0.312 29.041 29.460 -0.179 0.000 1.136 1103 W HN 0.066 nan 8.180 nan 0.000 0.526 1104 L N 0.773 121.760 121.223 -0.393 0.000 2.056 1104 L HA -0.203 4.137 4.340 0.000 0.000 0.207 1104 L C 2.638 179.189 176.870 -0.532 0.000 1.078 1104 L CA 1.741 56.170 54.840 -0.684 0.000 0.749 1104 L CB -1.202 40.510 42.059 -0.579 0.000 0.901 1104 L HN 0.084 nan 8.230 nan 0.000 0.433 1105 S N -1.353 114.147 115.700 -0.334 0.000 2.727 1105 S HA -0.037 4.433 4.470 0.000 0.000 0.226 1105 S C 1.105 175.561 174.600 -0.241 0.000 0.963 1105 S CA 0.378 58.434 58.200 -0.240 0.000 0.950 1105 S CB -0.104 63.009 63.200 -0.145 0.000 0.779 1105 S HN 0.177 nan 8.310 nan 0.000 0.532 1106 K N 0.897 121.091 120.400 -0.344 0.000 2.676 1106 K HA 0.495 4.815 4.320 0.000 0.000 0.205 1106 K C -0.853 175.509 176.600 -0.396 0.000 1.084 1106 K CA -0.043 56.066 56.287 -0.297 0.000 1.057 1106 K CB 0.549 32.916 32.500 -0.221 0.000 0.791 1106 K HN 0.447 nan 8.250 nan 0.000 0.484 1107 I N 1.824 122.114 120.570 -0.467 0.000 2.359 1107 I HA 0.282 4.452 4.170 0.000 0.000 0.284 1107 I C -0.373 175.556 176.117 -0.313 0.000 1.018 1107 I CA -0.818 60.196 61.300 -0.475 0.000 1.173 1107 I CB 1.011 38.620 38.000 -0.651 0.000 1.326 1107 I HN 0.063 nan 8.210 nan 0.000 0.462 1108 N N 7.559 126.110 118.700 -0.248 0.000 2.478 1108 N HA 0.359 5.099 4.740 0.000 0.000 0.275 1108 N C -1.960 173.462 175.510 -0.146 0.000 1.221 1108 N CA -2.065 50.883 53.050 -0.170 0.000 0.979 1108 N CB 0.454 38.858 38.487 -0.138 0.000 1.202 1108 N HN 0.180 nan 8.380 nan 0.000 0.564 1109 P HA 0.083 nan 4.420 nan 0.000 0.242 1109 P C 0.137 177.413 177.300 -0.039 0.000 1.197 1109 P CA 0.699 63.764 63.100 -0.059 0.000 0.765 1109 P CB 0.305 31.991 31.700 -0.024 0.000 0.936 1110 A N -0.639 122.148 122.820 -0.055 0.000 1.922 1110 A HA 0.521 4.841 4.320 0.000 0.000 0.216 1110 A C 1.251 178.722 177.584 -0.190 0.000 1.370 1110 A CA 1.168 53.171 52.037 -0.055 0.000 0.627 1110 A CB -0.814 18.104 19.000 -0.137 0.000 1.060 1110 A HN 0.246 nan 8.150 nan 0.000 0.487 1111 G N -0.945 107.691 108.800 -0.273 0.000 2.612 1111 G HA2 0.534 4.494 3.960 0.000 0.000 0.298 1111 G HA3 0.534 4.494 3.960 0.000 0.000 0.298 1111 G C -0.862 173.832 174.900 -0.344 0.000 1.336 1111 G CA -0.205 44.697 45.100 -0.330 0.000 0.953 1111 G HN 0.907 nan 8.290 nan 0.000 0.482 1112 I N 0.349 120.659 120.570 -0.433 0.000 2.460 1112 I HA 0.689 4.859 4.170 0.000 0.000 0.298 1112 I C -2.746 173.253 176.117 -0.196 0.000 0.989 1112 I CA -2.824 58.254 61.300 -0.370 0.000 1.173 1112 I CB 2.866 40.684 38.000 -0.303 0.000 1.338 1112 I HN 0.139 nan 8.210 nan 0.000 0.456 1113 P HA 0.241 nan 4.420 nan 0.000 0.274 1113 P C -2.583 175.077 177.300 0.600 0.000 1.231 1113 P CA -1.358 61.912 63.100 0.283 0.000 0.790 1113 P CB 0.032 31.876 31.700 0.239 0.000 0.951 1114 P HA -0.100 nan 4.420 nan 0.000 0.257 1114 P C -0.164 177.211 177.300 0.125 0.000 1.189 1114 P CA 0.473 63.810 63.100 0.395 0.000 0.780 1114 P CB -0.067 31.769 31.700 0.227 0.000 0.772 1115 V N 7.356 127.227 119.914 -0.072 0.000 2.703 1115 V HA -0.112 4.008 4.120 0.000 0.000 0.300 1115 V C -1.303 174.390 176.094 -0.669 0.000 1.063 1115 V CA 0.245 62.053 62.300 -0.820 0.000 1.240 1115 V CB -0.705 30.519 31.823 -1.000 0.000 0.845 1115 V HN 0.616 nan 8.190 nan 0.000 0.476 1116 P HA 0.454 nan 4.420 nan 0.000 0.300 1116 P C -1.194 175.850 177.300 -0.427 0.000 1.326 1116 P CA -0.531 62.345 63.100 -0.374 0.000 0.844 1116 P CB 1.013 32.604 31.700 -0.182 0.000 0.992 1117 F N 1.825 121.769 119.950 -0.011 0.000 2.449 1117 F HA 0.294 4.821 4.527 0.000 0.000 0.342 1117 F C 0.817 176.660 175.800 0.071 0.000 1.127 1117 F CA -0.610 57.421 58.000 0.052 0.000 0.975 1117 F CB 1.111 40.145 39.000 0.057 0.000 1.146 1117 F HN 0.220 nan 8.300 nan 0.000 0.444 1118 C N 4.819 124.309 119.300 0.317 0.000 2.601 1118 C HA 0.639 5.099 4.460 0.000 0.000 0.409 1118 C C 0.173 175.317 174.990 0.257 0.000 1.293 1118 C CA -0.457 58.712 59.018 0.252 0.000 2.101 1118 C CB -0.504 27.405 27.740 0.282 0.000 2.639 1118 C HN 0.610 nan 8.230 nan 0.000 0.592 1119 I N 5.631 126.201 120.570 0.001 0.000 2.571 1119 I HA 0.307 4.477 4.170 0.000 0.000 0.289 1119 I C -2.248 173.537 176.117 -0.553 0.000 1.115 1119 I CA -1.673 59.512 61.300 -0.191 0.000 1.045 1119 I CB 2.355 40.109 38.000 -0.409 0.000 1.238 1119 I HN 0.439 nan 8.210 nan 0.000 0.424 1120 P HA 0.135 nan 4.420 nan 0.000 0.268 1120 P C -0.431 176.774 177.300 -0.158 0.000 1.204 1120 P CA 0.188 62.792 63.100 -0.827 0.000 0.768 1120 P CB 0.830 32.472 31.700 -0.097 0.000 0.842 1121 I N 5.723 126.260 120.570 -0.055 0.000 2.517 1121 I HA 0.083 4.253 4.170 0.000 0.000 0.285 1121 I C -1.494 174.644 176.117 0.035 0.000 1.106 1121 I CA -2.158 59.171 61.300 0.048 0.000 1.402 1121 I CB 0.303 38.329 38.000 0.043 0.000 1.399 1121 I HN 0.162 nan 8.210 nan 0.000 0.535 1122 P HA -0.024 nan 4.420 nan 0.000 0.261 1122 P C -0.766 176.531 177.300 -0.005 0.000 1.203 1122 P CA -0.046 63.031 63.100 -0.039 0.000 0.767 1122 P CB 0.425 32.080 31.700 -0.075 0.000 0.785 1123 Q N 2.236 122.046 119.800 0.017 0.000 2.396 1123 Q HA 0.106 4.446 4.340 0.000 0.000 0.221 1123 Q C 1.591 177.553 176.000 -0.063 0.000 1.025 1123 Q CA -0.364 55.424 55.803 -0.025 0.000 0.946 1123 Q CB 0.680 29.322 28.738 -0.159 0.000 1.224 1123 Q HN 0.359 nan 8.270 nan 0.000 0.539 1124 V N -1.771 118.120 119.914 -0.039 0.000 2.492 1124 V HA 0.036 4.156 4.120 0.000 0.000 0.241 1124 V C 0.897 176.858 176.094 -0.222 0.000 1.041 1124 V CA 0.671 62.917 62.300 -0.090 0.000 1.057 1124 V CB -0.815 30.944 31.823 -0.107 0.000 0.711 1124 V HN 0.688 nan 8.190 nan 0.000 0.468 1125 Y N 0.931 120.972 120.300 -0.432 0.000 2.436 1125 Y HA 0.797 5.347 4.550 0.000 0.000 0.336 1125 Y C -2.383 173.443 175.900 -0.123 0.000 1.318 1125 Y CA -3.020 54.835 58.100 -0.408 0.000 1.493 1125 Y CB -0.003 38.184 38.460 -0.455 0.000 1.547 1125 Y HN -0.062 nan 8.280 nan 0.000 0.549 1126 P HA 0.174 nan 4.420 nan 0.000 0.219 1126 P C -0.604 176.612 177.300 -0.140 0.000 1.847 1126 P CA -0.531 62.510 63.100 -0.098 0.000 1.110 1126 P CB -0.437 31.276 31.700 0.023 0.000 1.839 1127 C N 3.374 122.390 119.300 -0.472 0.000 2.689 1127 C HA 0.488 4.948 4.460 0.000 0.000 0.409 1127 C C 1.320 176.185 174.990 -0.209 0.000 1.293 1127 C CA -1.234 57.600 59.018 -0.306 0.000 2.136 1127 C CB -0.611 26.793 27.740 -0.560 0.000 2.719 1127 C HN 0.573 nan 8.230 nan 0.000 0.644 1128 I N 0.878 121.390 120.570 -0.096 0.000 2.441 1128 I HA 0.497 4.668 4.170 0.000 0.000 0.287 1128 I C 0.021 176.027 176.117 -0.184 0.000 1.049 1128 I CA 0.201 61.430 61.300 -0.117 0.000 1.381 1128 I CB 0.641 38.612 38.000 -0.048 0.000 1.409 1128 I HN 0.740 nan 8.210 nan 0.000 0.523 1129 T N 5.157 119.562 114.554 -0.249 0.000 2.855 1129 T HA 0.634 4.984 4.350 0.000 0.000 0.281 1129 T C 0.057 174.664 174.700 -0.155 0.000 1.007 1129 T CA -0.504 61.432 62.100 -0.273 0.000 1.009 1129 T CB 1.669 70.226 68.868 -0.518 0.000 0.983 1129 T HN 0.825 nan 8.240 nan 0.000 0.455 1130 A N 2.972 125.724 122.820 -0.113 0.000 2.309 1130 A HA 0.387 4.707 4.320 0.000 0.000 0.290 1130 A C 0.603 178.122 177.584 -0.109 0.000 1.206 1130 A CA -0.546 51.435 52.037 -0.093 0.000 0.850 1130 A CB 0.065 19.020 19.000 -0.075 0.000 1.118 1130 A HN 0.780 nan 8.150 nan 0.000 0.523 1131 R N 2.422 122.857 120.500 -0.109 0.000 2.723 1131 R HA -0.013 4.327 4.340 0.000 0.000 0.358 1131 R C -0.181 175.995 176.300 -0.207 0.000 0.966 1131 R CA 0.594 56.614 56.100 -0.133 0.000 1.022 1131 R CB -0.102 30.129 30.300 -0.115 0.000 0.945 1131 R HN 0.652 nan 8.270 nan 0.000 0.420 1132 R N 0.986 121.314 120.500 -0.287 0.000 2.532 1132 R HA 0.348 4.688 4.340 0.000 0.000 0.272 1132 R C -0.304 175.603 176.300 -0.655 0.000 1.032 1132 R CA -0.660 55.141 56.100 -0.499 0.000 1.089 1132 R CB 1.156 31.042 30.300 -0.692 0.000 1.098 1132 R HN 0.168 nan 8.270 nan 0.000 0.526 1133 V N 2.972 122.454 119.914 -0.720 0.000 2.384 1133 V HA 0.288 4.408 4.120 0.000 0.000 0.287 1133 V C -0.196 175.291 176.094 -1.012 0.000 1.020 1133 V CA -0.729 61.128 62.300 -0.739 0.000 0.850 1133 V CB 0.968 32.494 31.823 -0.496 0.000 0.987 1133 V HN 0.659 nan 8.190 nan 0.000 0.436 1134 H N 3.409 121.948 119.070 -0.884 0.000 2.651 1134 H HA 0.527 5.083 4.556 0.000 0.000 0.353 1134 H C -0.636 174.210 175.328 -0.803 0.000 1.178 1134 H CA -0.363 55.191 56.048 -0.824 0.000 1.224 1134 H CB 2.405 31.436 29.762 -1.219 0.000 1.702 1134 H HN 0.649 nan 8.280 nan 0.000 0.550 1135 Y N -0.913 119.546 120.300 0.264 0.000 2.820 1135 Y HA 0.321 4.871 4.550 0.000 0.000 0.261 1135 Y C 1.073 177.290 175.900 0.529 0.000 1.123 1135 Y CA 0.033 58.355 58.100 0.370 0.000 1.217 1135 Y CB 0.486 39.172 38.460 0.377 0.000 1.432 1135 Y HN 0.583 nan 8.280 nan 0.000 0.461 1136 A N 1.886 125.069 122.820 0.604 0.000 2.362 1136 A HA 0.561 4.881 4.320 0.000 0.000 0.276 1136 A C -0.984 177.078 177.584 0.796 0.000 1.153 1136 A CA -0.024 52.278 52.037 0.441 0.000 0.813 1136 A CB -0.921 18.080 19.000 0.001 0.000 1.081 1136 A HN 0.396 nan 8.150 nan 0.000 0.507 1137 F N 0.645 120.945 119.950 0.584 0.000 2.670 1137 F HA 0.517 5.044 4.527 0.000 0.000 0.332 1137 F C -0.513 175.448 175.800 0.267 0.000 1.179 1137 F CA -0.547 57.712 58.000 0.432 0.000 1.076 1137 F CB 0.499 39.664 39.000 0.275 0.000 1.322 1137 F HN 0.487 nan 8.300 nan 0.000 0.515 1138 T N 1.618 116.245 114.554 0.122 0.000 2.918 1138 T HA 0.346 4.696 4.350 0.000 0.000 0.302 1138 T C 1.184 175.747 174.700 -0.229 0.000 1.045 1138 T CA 0.403 62.447 62.100 -0.094 0.000 1.114 1138 T CB 1.011 69.820 68.868 -0.099 0.000 0.965 1138 T HN 1.004 nan 8.240 nan 0.000 0.540 1139 S N 2.770 118.223 115.700 -0.413 0.000 2.348 1139 S HA 0.083 4.553 4.470 0.000 0.000 0.219 1139 S C 0.874 175.335 174.600 -0.230 0.000 1.033 1139 S CA 0.058 58.008 58.200 -0.416 0.000 0.974 1139 S CB -0.316 62.523 63.200 -0.601 0.000 0.868 1139 S HN 0.739 nan 8.310 nan 0.000 0.459 1140 E N 2.875 122.944 120.200 -0.219 0.000 2.398 1140 E HA 0.174 4.524 4.350 0.000 0.000 0.263 1140 E C -0.506 175.974 176.600 -0.201 0.000 1.046 1140 E CA -0.172 56.112 56.400 -0.193 0.000 0.908 1140 E CB 0.419 29.993 29.700 -0.209 0.000 0.963 1140 E HN 0.461 nan 8.360 nan 0.000 0.431 1141 N N 3.268 121.860 118.700 -0.181 0.000 2.549 1141 N HA -0.021 4.719 4.740 0.000 0.000 0.267 1141 N C -0.348 175.031 175.510 -0.218 0.000 1.182 1141 N CA 0.142 53.080 53.050 -0.186 0.000 1.019 1141 N CB -0.131 38.266 38.487 -0.150 0.000 1.380 1141 N HN 0.208 nan 8.380 nan 0.000 0.505 1142 N N 2.024 120.558 118.700 -0.276 0.000 2.276 1142 N HA -0.040 4.700 4.740 0.000 0.000 0.212 1142 N C -0.520 174.810 175.510 -0.300 0.000 1.127 1142 N CA 0.040 52.886 53.050 -0.340 0.000 0.834 1142 N CB -0.117 38.086 38.487 -0.474 0.000 1.014 1142 N HN 0.514 nan 8.380 nan 0.000 0.491 1143 N N 0.953 119.526 118.700 -0.211 0.000 3.083 1143 N HA 0.070 4.810 4.740 0.000 0.000 0.260 1143 N C -0.466 174.989 175.510 -0.092 0.000 1.163 1143 N CA -0.056 52.914 53.050 -0.133 0.000 1.060 1143 N CB 0.325 38.733 38.487 -0.133 0.000 1.345 1143 N HN -0.107 nan 8.380 nan 0.000 0.515 1144 D N -0.646 119.713 120.400 -0.069 0.000 2.500 1144 D HA 0.135 4.775 4.640 0.000 0.000 0.217 1144 D C 0.193 176.500 176.300 0.011 0.000 1.159 1144 D CA 0.192 54.163 54.000 -0.048 0.000 0.828 1144 D CB 0.513 41.264 40.800 -0.080 0.000 1.039 1144 D HN 0.402 nan 8.370 nan 0.000 0.512 1145 S N -0.924 114.812 115.700 0.060 0.000 2.819 1145 S HA 0.099 4.569 4.470 0.000 0.000 0.249 1145 S C 1.364 176.046 174.600 0.137 0.000 1.030 1145 S CA -0.390 57.875 58.200 0.108 0.000 1.052 1145 S CB 0.182 63.465 63.200 0.139 0.000 1.017 1145 S HN 0.052 nan 8.310 nan 0.000 0.576 1146 L N 1.170 122.456 121.223 0.104 0.000 2.127 1146 L HA 0.121 4.461 4.340 0.000 0.000 0.211 1146 L C 1.502 178.472 176.870 0.166 0.000 1.089 1146 L CA 1.868 56.772 54.840 0.107 0.000 0.757 1146 L CB -0.966 41.116 42.059 0.038 0.000 0.899 1146 L HN 0.468 nan 8.230 nan 0.000 0.434 1147 F N -0.617 119.324 119.950 -0.015 0.000 2.577 1147 F HA -0.452 4.075 4.527 0.000 0.000 0.674 1147 F C 0.733 176.506 175.800 -0.045 0.000 0.487 1147 F CA 1.791 59.782 58.000 -0.016 0.000 0.689 1147 F CB -1.667 37.338 39.000 0.008 0.000 1.596 1147 F HN 0.385 nan 8.300 nan 0.000 0.261 1148 S N -1.708 113.984 115.700 -0.014 0.000 2.556 1148 S HA 0.563 5.033 4.470 0.000 0.000 0.271 1148 S C -0.090 174.491 174.600 -0.032 0.000 1.135 1148 S CA -0.010 58.104 58.200 -0.142 0.000 0.858 1148 S CB 1.827 64.978 63.200 -0.080 0.000 1.114 1148 S HN 0.533 nan 8.310 nan 0.000 0.468 1149 T N 0.572 115.085 114.554 -0.070 0.000 3.034 1149 T HA 0.331 4.681 4.350 0.000 0.000 0.248 1149 T C -0.062 174.621 174.700 -0.029 0.000 1.040 1149 T CA 0.587 62.657 62.100 -0.050 0.000 1.107 1149 T CB -0.492 68.333 68.868 -0.071 0.000 0.932 1149 T HN 0.715 nan 8.240 nan 0.000 0.474 1150 N N 0.100 118.792 118.700 -0.013 0.000 2.751 1150 N HA 0.552 5.292 4.740 0.000 0.000 0.238 1150 N C 0.394 175.927 175.510 0.038 0.000 1.351 1150 N CA 0.182 53.242 53.050 0.017 0.000 0.751 1150 N CB 1.000 39.494 38.487 0.011 0.000 1.342 1150 N HN 0.205 nan 8.380 nan 0.000 0.540 1151 A N 1.436 124.296 122.820 0.067 0.000 1.862 1151 A HA -0.204 4.116 4.320 0.000 0.000 0.217 1151 A C 2.234 179.868 177.584 0.084 0.000 1.251 1151 A CA 2.411 54.502 52.037 0.090 0.000 0.673 1151 A CB -1.110 17.974 19.000 0.140 0.000 0.843 1151 A HN 0.586 nan 8.150 nan 0.000 0.458 1152 A N -1.168 121.710 122.820 0.096 0.000 1.972 1152 A HA 0.121 4.441 4.320 0.000 0.000 0.219 1152 A C 1.761 179.361 177.584 0.028 0.000 1.169 1152 A CA 1.341 53.399 52.037 0.036 0.000 0.635 1152 A CB -0.962 17.973 19.000 -0.109 0.000 0.810 1152 A HN 0.672 nan 8.150 nan 0.000 0.446 1153 S N -0.229 115.491 115.700 0.034 0.000 2.552 1153 S HA 0.145 4.615 4.470 0.000 0.000 0.289 1153 S C 1.240 175.920 174.600 0.134 0.000 1.304 1153 S CA 0.228 58.473 58.200 0.075 0.000 1.063 1153 S CB -0.014 63.224 63.200 0.063 0.000 0.848 1153 S HN 0.613 nan 8.310 nan 0.000 0.499 1154 I N 0.570 121.270 120.570 0.216 0.000 3.083 1154 I HA 0.298 4.468 4.170 0.000 0.000 0.273 1154 I C -0.037 176.174 176.117 0.156 0.000 1.297 1154 I CA 0.546 61.972 61.300 0.210 0.000 1.452 1154 I CB -0.133 38.024 38.000 0.262 0.000 1.078 1154 I HN 0.468 nan 8.210 nan 0.000 0.484 1155 D N -0.457 120.028 120.400 0.142 0.000 2.383 1155 D HA 0.109 4.749 4.640 0.000 0.000 0.186 1155 D C -0.878 175.457 176.300 0.059 0.000 1.030 1155 D CA -0.163 53.892 54.000 0.092 0.000 0.880 1155 D CB 1.130 42.000 40.800 0.117 0.000 3.531 1155 D HN 0.008 nan 8.370 nan 0.000 0.473 1156 T N 1.269 115.830 114.554 0.013 0.000 2.907 1156 T HA 0.620 4.970 4.350 0.000 0.000 0.298 1156 T C 0.783 175.464 174.700 -0.032 0.000 1.017 1156 T CA 0.588 62.675 62.100 -0.023 0.000 1.118 1156 T CB 1.205 70.044 68.868 -0.049 0.000 0.948 1156 T HN 0.406 nan 8.240 nan 0.000 0.531 1157 A N 3.550 126.337 122.820 -0.055 0.000 1.988 1157 A HA 0.300 4.620 4.320 0.000 0.000 0.201 1157 A C 1.406 178.979 177.584 -0.019 0.000 1.410 1157 A CA -0.027 51.985 52.037 -0.041 0.000 0.832 1157 A CB -0.322 18.639 19.000 -0.064 0.000 0.981 1157 A HN 0.764 nan 8.150 nan 0.000 0.492 1158 F N 0.892 120.748 119.950 -0.157 0.000 2.500 1158 F HA 0.417 4.944 4.527 0.000 0.000 0.285 1158 F C 1.386 177.140 175.800 -0.076 0.000 1.088 1158 F CA 0.252 58.178 58.000 -0.124 0.000 1.432 1158 F CB -0.532 38.365 39.000 -0.172 0.000 1.131 1158 F HN 0.210 nan 8.300 nan 0.000 0.582 1159 G N 0.607 109.184 108.800 -0.372 0.000 2.712 1159 G HA2 0.223 4.183 3.960 0.000 0.000 0.258 1159 G HA3 0.223 4.183 3.960 0.000 0.000 0.258 1159 G C -0.918 173.777 174.900 -0.342 0.000 1.241 1159 G CA -0.449 44.416 45.100 -0.392 0.000 0.923 1159 G HN 0.368 nan 8.290 nan 0.000 0.548 1160 E N 0.139 120.187 120.200 -0.254 0.000 1.996 1160 E HA 0.233 4.583 4.350 0.000 0.000 0.280 1160 E C -0.038 176.481 176.600 -0.135 0.000 1.092 1160 E CA -0.790 55.493 56.400 -0.194 0.000 0.862 1160 E CB -0.113 29.483 29.700 -0.174 0.000 1.066 1160 E HN 0.548 nan 8.360 nan 0.000 0.396 1161 N N 1.799 120.427 118.700 -0.120 0.000 2.293 1161 N HA 0.106 4.846 4.740 0.000 0.000 0.253 1161 N C -0.553 174.897 175.510 -0.099 0.000 1.248 1161 N CA 0.124 53.118 53.050 -0.093 0.000 0.845 1161 N CB 0.681 39.123 38.487 -0.075 0.000 1.073 1161 N HN 0.516 nan 8.380 nan 0.000 0.464 1162 A N 1.071 123.828 122.820 -0.104 0.000 3.370 1162 A HA 0.672 4.993 4.320 0.000 0.000 0.295 1162 A C 0.154 177.633 177.584 -0.174 0.000 1.030 1162 A CA -0.515 51.446 52.037 -0.127 0.000 0.883 1162 A CB -0.287 18.645 19.000 -0.113 0.000 1.191 1162 A HN 1.059 nan 8.150 nan 0.000 0.507 1163 A N 0.536 123.258 122.820 -0.162 0.000 2.587 1163 A HA 0.389 4.709 4.320 0.000 0.000 0.235 1163 A C 0.702 178.075 177.584 -0.351 0.000 1.044 1163 A CA 0.202 52.117 52.037 -0.203 0.000 0.754 1163 A CB -0.142 18.777 19.000 -0.134 0.000 0.968 1163 A HN 1.350 nan 8.150 nan 0.000 0.509 1164 V N 3.828 123.416 119.914 -0.542 0.000 2.613 1164 V HA -0.061 4.060 4.120 0.000 0.000 0.289 1164 V C 1.344 176.969 176.094 -0.780 0.000 0.985 1164 V CA 1.069 62.802 62.300 -0.946 0.000 1.181 1164 V CB -0.364 30.613 31.823 -1.410 0.000 0.883 1164 V HN 0.977 nan 8.190 nan 0.000 0.465 1165 S N 8.963 124.368 115.700 -0.492 0.000 2.546 1165 S HA 0.091 4.561 4.470 0.000 0.000 0.290 1165 S C -0.316 174.201 174.600 -0.139 0.000 1.262 1165 S CA -0.769 57.285 58.200 -0.243 0.000 1.083 1165 S CB 0.768 63.891 63.200 -0.129 0.000 0.859 1165 S HN 0.737 nan 8.310 nan 0.000 0.495 1166 P HA -0.080 nan 4.420 nan 0.000 0.219 1166 P C 1.491 178.924 177.300 0.222 0.000 1.150 1166 P CA 0.859 64.074 63.100 0.193 0.000 0.814 1166 P CB -0.017 31.794 31.700 0.185 0.000 0.787 1167 L N -0.896 120.390 121.223 0.106 0.000 2.351 1167 L HA -0.143 4.197 4.340 0.000 0.000 0.220 1167 L C 2.810 179.716 176.870 0.060 0.000 1.127 1167 L CA 1.133 56.018 54.840 0.074 0.000 0.786 1167 L CB -0.612 41.460 42.059 0.022 0.000 0.914 1167 L HN -0.047 nan 8.230 nan 0.000 0.443 1168 R N -0.823 119.729 120.500 0.087 0.000 2.161 1168 R HA -0.067 4.273 4.340 0.000 0.000 0.213 1168 R C 0.258 176.397 176.300 -0.270 0.000 1.055 1168 R CA 0.727 56.763 56.100 -0.107 0.000 0.996 1168 R CB -0.054 30.160 30.300 -0.144 0.000 0.901 1168 R HN 0.351 nan 8.270 nan 0.000 0.456 1169 W N 0.681 122.038 121.300 0.095 0.000 1.948 1169 W HA 0.380 5.040 4.660 0.000 0.000 0.335 1169 W C -1.916 174.645 176.519 0.070 0.000 0.753 1169 W CA -2.383 55.050 57.345 0.146 0.000 2.601 1169 W CB 0.294 29.923 29.460 0.281 0.000 2.143 1169 W HN 0.020 nan 8.180 nan 0.000 0.636 1170 P HA -0.228 nan 4.420 nan 0.000 0.214 1170 P C 2.107 179.244 177.300 -0.273 0.000 1.163 1170 P CA 3.079 66.197 63.100 0.029 0.000 0.889 1170 P CB 0.098 31.839 31.700 0.068 0.000 0.790 1171 G N -0.028 108.361 108.800 -0.684 0.000 2.529 1171 G HA2 -0.292 3.668 3.960 0.000 0.000 0.219 1171 G HA3 -0.292 3.668 3.960 0.000 0.000 0.219 1171 G C 1.479 176.302 174.900 -0.127 0.000 1.177 1171 G CA 1.002 45.415 45.100 -1.145 0.000 0.773 1171 G HN 0.253 nan 8.290 nan 0.000 0.573 1172 L N 0.949 122.368 121.223 0.327 0.000 2.141 1172 L HA 0.076 4.417 4.340 0.000 0.000 0.209 1172 L C 2.405 179.310 176.870 0.059 0.000 1.094 1172 L CA 2.375 57.354 54.840 0.232 0.000 0.763 1172 L CB 0.077 42.147 42.059 0.019 0.000 0.908 1172 L HN 0.344 nan 8.230 nan 0.000 0.437 1173 V N -5.082 114.887 119.914 0.091 0.000 3.398 1173 V HA 0.353 4.473 4.120 0.000 0.000 0.298 1173 V C 0.228 176.369 176.094 0.078 0.000 1.496 1173 V CA -0.269 62.049 62.300 0.029 0.000 1.044 1173 V CB -0.114 31.708 31.823 -0.001 0.000 0.880 1173 V HN 0.244 nan 8.190 nan 0.000 0.443 1174 D N 1.776 122.248 120.400 0.120 0.000 2.249 1174 D HA 0.396 5.036 4.640 0.000 0.000 0.246 1174 D C -1.654 174.745 176.300 0.165 0.000 1.114 1174 D CA -1.905 52.182 54.000 0.144 0.000 0.854 1174 D CB 2.315 43.224 40.800 0.183 0.000 1.132 1174 D HN 0.098 nan 8.370 nan 0.000 0.461 1175 P HA -0.073 nan 4.420 nan 0.000 0.215 1175 P C 0.642 178.010 177.300 0.114 0.000 1.157 1175 P CA 0.911 64.071 63.100 0.101 0.000 0.863 1175 P CB 0.354 32.092 31.700 0.064 0.000 0.787 1176 N N -2.035 116.732 118.700 0.111 0.000 2.459 1176 N HA -0.088 4.652 4.740 0.000 0.000 0.181 1176 N C 0.420 175.999 175.510 0.115 0.000 1.046 1176 N CA 0.153 53.258 53.050 0.091 0.000 0.904 1176 N CB -1.024 37.507 38.487 0.073 0.000 0.964 1176 N HN 0.243 nan 8.380 nan 0.000 0.444 1177 Y N 1.602 121.937 120.300 0.058 0.000 2.805 1177 Y HA 0.027 4.577 4.550 0.000 0.000 0.337 1177 Y C 0.419 176.351 175.900 0.053 0.000 1.252 1177 Y CA -0.217 57.922 58.100 0.065 0.000 1.515 1177 Y CB 0.333 38.848 38.460 0.091 0.000 1.305 1177 Y HN -0.136 nan 8.280 nan 0.000 0.600 1178 R N 5.161 125.146 120.500 -0.859 0.000 2.480 1178 R HA 0.419 4.759 4.340 0.000 0.000 0.306 1178 R C -1.647 174.004 176.300 -1.082 0.000 0.958 1178 R CA -0.843 54.850 56.100 -0.679 0.000 0.861 1178 R CB 1.429 31.541 30.300 -0.314 0.000 1.171 1178 R HN 0.702 nan 8.270 nan 0.000 0.445 1179 V N 5.817 125.358 119.914 -0.622 0.000 2.450 1179 V HA 0.338 4.458 4.120 0.000 0.000 0.264 1179 V C 0.583 176.582 176.094 -0.158 0.000 0.996 1179 V CA 2.053 64.189 62.300 -0.275 0.000 1.138 1179 V CB -0.002 31.796 31.823 -0.041 0.000 1.051 1179 V HN 0.992 nan 8.190 nan 0.000 0.470 1180 G N 3.328 112.073 108.800 -0.092 0.000 2.165 1180 G HA2 -0.038 3.922 3.960 0.000 0.000 0.144 1180 G HA3 -0.038 3.922 3.960 0.000 0.000 0.144 1180 G C -0.009 174.899 174.900 0.014 0.000 1.049 1180 G CA 0.053 45.157 45.100 0.008 0.000 0.741 1180 G HN 1.564 nan 8.290 nan 0.000 0.493 1181 T N -1.382 113.191 114.554 0.030 0.000 2.912 1181 T HA 0.733 5.083 4.350 0.000 0.000 0.299 1181 T C -1.072 173.731 174.700 0.172 0.000 1.052 1181 T CA -0.172 61.968 62.100 0.067 0.000 0.996 1181 T CB 2.535 71.402 68.868 -0.001 0.000 1.070 1181 T HN 1.215 nan 8.240 nan 0.000 0.465 1182 N N 1.635 120.412 118.700 0.128 0.000 2.600 1182 N HA 0.116 4.856 4.740 0.000 0.000 0.272 1182 N C -1.431 174.122 175.510 0.073 0.000 1.095 1182 N CA -0.649 52.473 53.050 0.120 0.000 0.993 1182 N CB 1.452 40.009 38.487 0.117 0.000 1.603 1182 N HN 0.867 nan 8.380 nan 0.000 0.526 1183 D N 2.414 122.847 120.400 0.055 0.000 2.597 1183 D HA -0.012 4.628 4.640 0.000 0.000 0.228 1183 D C 0.943 177.245 176.300 0.003 0.000 1.120 1183 D CA -0.510 53.504 54.000 0.024 0.000 1.083 1183 D CB 0.647 41.455 40.800 0.015 0.000 1.116 1183 D HN 0.283 nan 8.370 nan 0.000 0.487 1184 L N 1.574 122.801 121.223 0.006 0.000 2.362 1184 L HA 0.003 4.343 4.340 0.000 0.000 0.219 1184 L C -1.482 175.362 176.870 -0.044 0.000 1.134 1184 L CA 1.052 55.883 54.840 -0.015 0.000 0.807 1184 L CB -0.671 41.377 42.059 -0.019 0.000 0.927 1184 L HN 0.209 nan 8.230 nan 0.000 0.447 1185 P HA 0.310 nan 4.420 nan 0.000 0.269 1185 P C -0.235 177.030 177.300 -0.058 0.000 1.857 1185 P CA 0.045 63.113 63.100 -0.053 0.000 1.213 1185 P CB 0.600 32.272 31.700 -0.046 0.000 1.702 1186 N N -0.457 118.206 118.700 -0.062 0.000 2.216 1186 N HA 0.147 4.887 4.740 0.000 0.000 0.282 1186 N C 0.385 175.844 175.510 -0.085 0.000 0.914 1186 N CA 0.293 53.300 53.050 -0.071 0.000 0.805 1186 N CB 1.166 39.622 38.487 -0.052 0.000 1.883 1186 N HN 0.062 nan 8.380 nan 0.000 0.871 1187 R N 0.194 120.647 120.500 -0.078 0.000 2.930 1187 R HA 0.662 5.002 4.340 0.000 0.000 0.257 1187 R C -0.548 175.679 176.300 -0.121 0.000 1.107 1187 R CA -0.638 55.403 56.100 -0.099 0.000 0.999 1187 R CB 1.999 32.255 30.300 -0.074 0.000 1.209 1187 R HN -0.094 nan 8.270 nan 0.000 0.486 1188 I N 1.447 121.913 120.570 -0.174 0.000 2.563 1188 I HA 0.149 4.319 4.170 0.000 0.000 0.276 1188 I C -0.501 175.489 176.117 -0.211 0.000 1.074 1188 I CA -0.509 60.666 61.300 -0.209 0.000 1.124 1188 I CB 1.855 39.618 38.000 -0.395 0.000 1.225 1188 I HN 0.557 nan 8.210 nan 0.000 0.482 1189 T N 6.622 121.092 114.554 -0.140 0.000 2.761 1189 T HA 0.070 4.420 4.350 0.000 0.000 0.262 1189 T C 1.440 176.014 174.700 -0.210 0.000 0.968 1189 T CA 0.082 62.081 62.100 -0.169 0.000 1.235 1189 T CB -0.242 68.589 68.868 -0.062 0.000 0.925 1189 T HN 0.391 nan 8.240 nan 0.000 0.545 1190 L N 2.765 123.730 121.223 -0.429 0.000 2.834 1190 L HA 0.045 4.385 4.340 0.000 0.000 0.252 1190 L C 0.242 176.990 176.870 -0.203 0.000 1.152 1190 L CA 0.681 55.273 54.840 -0.412 0.000 0.898 1190 L CB -0.612 40.991 42.059 -0.761 0.000 1.078 1190 L HN 0.604 nan 8.230 nan 0.000 0.439 1191 Y N 0.133 120.295 120.300 -0.230 0.000 2.323 1191 Y HA 0.333 4.883 4.550 0.000 0.000 0.333 1191 Y C -0.511 175.383 175.900 -0.011 0.000 1.173 1191 Y CA -1.102 56.989 58.100 -0.015 0.000 1.342 1191 Y CB 0.165 38.745 38.460 0.200 0.000 1.168 1191 Y HN 0.002 nan 8.280 nan 0.000 0.464 1192 N N 0.977 119.568 118.700 -0.182 0.000 2.989 1192 N HA 0.538 5.278 4.740 0.000 0.000 0.338 1192 N C -0.737 174.660 175.510 -0.188 0.000 1.369 1192 N CA -0.449 52.521 53.050 -0.134 0.000 0.794 1192 N CB 1.417 39.913 38.487 0.014 0.000 1.359 1192 N HN 0.443 nan 8.380 nan 0.000 0.609 1193 S N -0.041 115.640 115.700 -0.032 0.000 2.690 1193 S HA 0.856 5.326 4.470 0.000 0.000 0.291 1193 S C -0.188 174.382 174.600 -0.050 0.000 1.138 1193 S CA -0.764 57.401 58.200 -0.060 0.000 1.013 1193 S CB 1.122 64.313 63.200 -0.015 0.000 1.053 1193 S HN 0.582 nan 8.310 nan 0.000 0.539 1194 L N -1.700 119.452 121.223 -0.117 0.000 2.781 1194 L HA 0.457 4.797 4.340 0.000 0.000 0.256 1194 L C -2.198 174.576 176.870 -0.160 0.000 0.930 1194 L CA -1.202 53.603 54.840 -0.058 0.000 0.967 1194 L CB 0.506 42.574 42.059 0.015 0.000 1.551 1194 L HN 0.731 nan 8.230 nan 0.000 0.445 1195 Y N 2.270 122.470 120.300 -0.166 0.000 2.531 1195 Y HA 0.434 4.984 4.550 0.000 0.000 0.347 1195 Y C 0.601 176.136 175.900 -0.608 0.000 1.024 1195 Y CA -0.028 57.851 58.100 -0.367 0.000 1.306 1195 Y CB 0.775 38.978 38.460 -0.428 0.000 1.149 1195 Y HN 0.396 nan 8.280 nan 0.000 0.527 1196 R N 3.636 123.929 120.500 -0.345 0.000 2.312 1196 R HA 0.365 4.705 4.340 0.000 0.000 0.311 1196 R C -1.066 174.964 176.300 -0.450 0.000 1.004 1196 R CA -0.705 55.209 56.100 -0.310 0.000 0.902 1196 R CB 0.926 31.195 30.300 -0.052 0.000 1.073 1196 R HN 0.561 nan 8.270 nan 0.000 0.457 1197 Y N 0.425 120.619 120.300 -0.177 0.000 2.496 1197 Y HA 0.293 4.843 4.550 0.000 0.000 0.325 1197 Y C 1.124 176.814 175.900 -0.350 0.000 1.271 1197 Y CA -0.968 56.872 58.100 -0.433 0.000 1.368 1197 Y CB 0.823 38.651 38.460 -1.053 0.000 1.415 1197 Y HN 0.432 nan 8.280 nan 0.000 0.527 1198 N N 0.177 118.723 118.700 -0.257 0.000 2.466 1198 N HA 0.149 4.889 4.740 0.000 0.000 0.272 1198 N C -1.413 173.999 175.510 -0.164 0.000 1.455 1198 N CA -0.183 52.777 53.050 -0.150 0.000 0.875 1198 N CB 0.043 38.470 38.487 -0.100 0.000 1.372 1198 N HN 0.342 nan 8.380 nan 0.000 0.492 1199 F N 1.775 121.675 119.950 -0.084 0.000 2.604 1199 F HA -0.062 4.466 4.527 0.000 0.000 0.390 1199 F C 1.827 177.196 175.800 -0.719 0.000 1.053 1199 F CA 0.102 57.921 58.000 -0.302 0.000 1.256 1199 F CB -0.005 38.885 39.000 -0.184 0.000 0.996 1199 F HN -0.116 nan 8.300 nan 0.000 0.564 1200 T N 3.403 117.732 114.554 -0.375 0.000 2.795 1200 T HA 0.488 4.838 4.350 0.000 0.000 0.282 1200 T C -0.915 173.466 174.700 -0.530 0.000 0.980 1200 T CA -0.611 61.200 62.100 -0.482 0.000 1.012 1200 T CB 0.315 69.082 68.868 -0.167 0.000 0.936 1200 T HN 0.289 nan 8.240 nan 0.000 0.457 1201 Y N 5.172 125.496 120.300 0.039 0.000 2.931 1201 Y HA 0.364 4.914 4.550 0.000 0.000 0.330 1201 Y C -1.689 174.267 175.900 0.092 0.000 1.115 1201 Y CA -2.998 55.108 58.100 0.011 0.000 1.283 1201 Y CB -0.325 38.143 38.460 0.013 0.000 1.215 1201 Y HN 0.562 nan 8.280 nan 0.000 0.534 1202 P HA 0.071 nan 4.420 nan 0.000 0.269 1202 P C 0.306 177.860 177.300 0.423 0.000 1.215 1202 P CA -0.040 63.209 63.100 0.249 0.000 0.780 1202 P CB 1.548 33.377 31.700 0.214 0.000 0.898 1203 T N -1.493 113.269 114.554 0.346 0.000 2.852 1203 T HA 0.202 4.552 4.350 0.000 0.000 0.281 1203 T C 1.488 176.347 174.700 0.266 0.000 0.993 1203 T CA -0.822 61.475 62.100 0.330 0.000 0.933 1203 T CB 0.189 69.157 68.868 0.167 0.000 1.187 1203 T HN 0.280 nan 8.240 nan 0.000 0.559 1204 L N 0.225 121.457 121.223 0.014 0.000 2.187 1204 L HA -0.089 4.251 4.340 0.000 0.000 0.213 1204 L C 1.472 178.389 176.870 0.078 0.000 1.100 1204 L CA 1.600 56.411 54.840 -0.047 0.000 0.765 1204 L CB -0.406 41.522 42.059 -0.218 0.000 0.904 1204 L HN 0.680 nan 8.230 nan 0.000 0.437 1205 D N -1.107 119.349 120.400 0.093 0.000 2.349 1205 D HA -0.022 4.618 4.640 0.000 0.000 0.215 1205 D C 1.916 178.308 176.300 0.153 0.000 1.016 1205 D CA 0.868 54.941 54.000 0.123 0.000 0.870 1205 D CB 0.072 40.938 40.800 0.109 0.000 0.917 1205 D HN 0.329 nan 8.370 nan 0.000 0.524 1206 G N 0.477 109.385 108.800 0.180 0.000 2.464 1206 G HA2 -0.047 3.913 3.960 0.000 0.000 0.217 1206 G HA3 -0.047 3.913 3.960 0.000 0.000 0.217 1206 G C 1.300 176.320 174.900 0.200 0.000 1.138 1206 G CA 0.219 45.431 45.100 0.186 0.000 0.793 1206 G HN 0.108 nan 8.290 nan 0.000 0.539 1207 I N 0.996 121.712 120.570 0.243 0.000 4.785 1207 I HA 0.248 4.418 4.170 0.000 0.000 0.227 1207 I C 1.775 178.005 176.117 0.189 0.000 0.968 1207 I CA 0.124 61.567 61.300 0.239 0.000 1.561 1207 I CB -1.393 36.806 38.000 0.333 0.000 1.418 1207 I HN 0.195 nan 8.210 nan 0.000 0.449 1208 M N 0.577 120.286 119.600 0.182 0.000 2.163 1208 M HA 0.183 4.663 4.480 0.000 0.000 0.305 1208 M C -0.806 175.605 176.300 0.185 0.000 1.166 1208 M CA -0.071 55.322 55.300 0.156 0.000 1.132 1208 M CB 0.744 33.411 32.600 0.113 0.000 1.413 1208 M HN 0.275 nan 8.290 nan 0.000 0.478 1209 Y N 2.036 122.364 120.300 0.046 0.000 2.587 1209 Y HA 0.569 5.119 4.550 0.000 0.000 0.328 1209 Y C -1.582 174.333 175.900 0.025 0.000 0.980 1209 Y CA -1.088 57.033 58.100 0.035 0.000 1.272 1209 Y CB 0.337 38.817 38.460 0.032 0.000 1.094 1209 Y HN 0.538 nan 8.280 nan 0.000 0.503 1210 V N 6.014 125.745 119.914 -0.305 0.000 2.997 1210 V HA 0.753 4.873 4.120 0.000 0.000 0.311 1210 V C -0.036 175.716 176.094 -0.570 0.000 1.066 1210 V CA -0.546 61.536 62.300 -0.363 0.000 1.039 1210 V CB 1.327 33.053 31.823 -0.161 0.000 1.081 1210 V HN 0.845 nan 8.190 nan 0.000 0.467 1211 R N 0.000 120.262 120.500 -0.396 0.000 2.786 1211 R HA 0.000 4.340 4.340 0.000 0.000 0.208 1211 R CA 0.000 55.927 56.100 -0.288 0.000 0.921 1211 R CB 0.000 30.127 30.300 -0.288 0.000 0.687 1211 R HN 0.000 nan 8.270 nan 0.000 0.535