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 1kdg_1_A DATA FIRST_RESID 215 DATA SEQUENCE TPYDYIIVGA GPGGIIAADR LSEAGKKVLL LERGGPSTKQ TGGTYVAPWA DATA SEQUENCE TSSGLTKFDI PGLFESLFTD SNPFWWcKDI TVFAGcLVGG GTSVNGALYW DATA SEQUENCE YPNDGDFSSS VGWPSSWTNH APYTSKLSSR LPSTDHPSTD GQRYLEQSFN DATA SEQUENCE VVSQLLKGQG YNQATINDNP NYKDHVFGYS AFDFLNGKRA GPVATYLQTA DATA SEQUENCE LARPNFTFKT NVMVSNVVRN GSQILGVQTN DPTLGPNGFI PVTPKGRVIL DATA SEQUENCE SAGAFGTSRI LFQSGIGPTD MIQTVQSNPT AAAALPPQNQ WINLPVGMNA DATA SEQUENCE QDNPSINLVF THPSIDAYEN WADVWSNPRP ADAAQYLANQ SGVFAGASPK DATA SEQUENCE LNFWRAYSGS DGFTRYAQGT VRPGAASVNS SLPYNASQIF TITVYLSTGI DATA SEQUENCE QSRGRIGIDA ALRGTVLTPP WLVNPVDKTV LLQALHDVVS NIGSIPGLTM DATA SEQUENCE ITPDVTQTLE EYVDAYDPAT MNSNHWVSST TIGSSPQSAV VDSNVKVFGT DATA SEQUENCE NNLFIVDAGI IPHLPTGNPQ GTLMSAAEQA AAKILALAGG P 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 215 T HA 0.000 nan 4.350 nan 0.000 0.228 215 T C 0.000 174.557 174.700 -0.238 0.000 1.109 215 T CA 0.000 62.001 62.100 -0.166 0.000 1.349 215 T CB 0.000 68.722 68.868 -0.244 0.000 0.612 216 P HA 0.623 nan 4.420 nan 0.000 0.286 216 P C -1.489 175.565 177.300 -0.411 0.000 1.261 216 P CA -0.526 62.451 63.100 -0.204 0.000 0.821 216 P CB 0.876 32.514 31.700 -0.105 0.000 1.013 217 Y N -0.191 120.083 120.300 -0.043 0.000 2.524 217 Y HA 0.212 4.734 4.550 -0.046 0.000 0.344 217 Y C 1.599 177.476 175.900 -0.038 0.000 1.012 217 Y CA -0.404 57.686 58.100 -0.018 0.000 1.068 217 Y CB 1.237 39.697 38.460 -0.000 0.000 1.249 217 Y HN 0.255 nan 8.280 nan 0.000 0.468 218 D N 0.589 121.064 120.400 0.126 0.000 2.144 218 D HA -0.132 4.481 4.640 -0.046 0.000 0.200 218 D C -0.597 175.531 176.300 -0.288 0.000 0.978 218 D CA 1.887 55.856 54.000 -0.051 0.000 0.833 218 D CB 0.086 40.906 40.800 0.034 0.000 0.961 218 D HN 0.387 nan 8.370 nan 0.000 0.470 219 Y N -0.685 119.690 120.300 0.126 0.000 2.406 219 Y HA 0.447 4.969 4.550 -0.046 0.000 0.340 219 Y C -0.167 175.771 175.900 0.064 0.000 0.975 219 Y CA -0.736 57.412 58.100 0.080 0.000 1.056 219 Y CB 1.947 40.435 38.460 0.048 0.000 1.210 219 Y HN -0.314 nan 8.280 nan 0.000 0.448 220 I N 5.233 125.901 120.570 0.164 0.000 2.362 220 I HA 0.439 4.581 4.170 -0.046 0.000 0.289 220 I C -0.800 175.377 176.117 0.100 0.000 0.994 220 I CA -0.522 60.810 61.300 0.054 0.000 1.158 220 I CB 1.247 39.244 38.000 -0.005 0.000 1.315 220 I HN 0.441 nan 8.210 nan 0.000 0.451 221 I N 6.834 127.452 120.570 0.080 0.000 2.362 221 I HA 0.319 4.461 4.170 -0.046 0.000 0.289 221 I C -0.470 175.689 176.117 0.071 0.000 0.994 221 I CA -0.882 60.472 61.300 0.091 0.000 1.158 221 I CB 1.922 39.978 38.000 0.094 0.000 1.315 221 I HN 0.179 nan 8.210 nan 0.000 0.451 222 V N 5.458 125.413 119.914 0.068 0.000 2.304 222 V HA 0.745 4.837 4.120 -0.046 0.000 0.269 222 V C 0.461 176.596 176.094 0.068 0.000 1.036 222 V CA -0.418 61.917 62.300 0.058 0.000 0.840 222 V CB 0.440 32.289 31.823 0.044 0.000 1.036 222 V HN 1.071 nan 8.190 nan 0.000 0.466 223 G N 3.985 112.837 108.800 0.087 0.000 3.400 223 G HA2 0.295 4.228 3.960 -0.046 0.000 0.679 223 G HA3 0.295 4.228 3.960 -0.046 0.000 0.679 223 G C -0.245 174.719 174.900 0.108 0.000 1.239 223 G CA -0.382 44.776 45.100 0.096 0.000 1.049 223 G HN 1.294 nan 8.290 nan 0.000 0.539 224 A N 1.740 124.646 122.820 0.144 0.000 3.258 224 A HA 0.756 5.048 4.320 -0.046 0.000 0.275 224 A C 1.330 178.965 177.584 0.085 0.000 1.452 224 A CA 1.031 53.142 52.037 0.124 0.000 1.120 224 A CB -0.298 18.852 19.000 0.251 0.000 1.107 224 A HN 1.987 nan 8.150 nan 0.000 0.651 225 G N 0.125 108.969 108.800 0.072 0.000 2.531 225 G HA2 0.489 4.421 3.960 -0.046 0.000 0.281 225 G HA3 0.489 4.421 3.960 -0.046 0.000 0.281 225 G C -1.092 173.826 174.900 0.030 0.000 1.382 225 G CA -0.997 44.145 45.100 0.069 0.000 1.045 225 G HN 0.155 nan 8.290 nan 0.000 0.533 226 P HA -0.093 nan 4.420 nan 0.000 0.216 226 P C 1.964 179.232 177.300 -0.054 0.000 1.153 226 P CA 1.856 64.948 63.100 -0.013 0.000 0.848 226 P CB -0.193 31.526 31.700 0.031 0.000 0.787 227 G N 0.118 108.918 108.800 0.000 0.000 2.421 227 G HA2 -0.209 3.723 3.960 -0.046 0.000 0.216 227 G HA3 -0.209 3.723 3.960 -0.046 0.000 0.216 227 G C 1.901 176.781 174.900 -0.033 0.000 1.171 227 G CA 1.074 46.172 45.100 -0.004 0.000 0.775 227 G HN 0.389 nan 8.290 nan 0.000 0.543 228 G N 0.794 109.588 108.800 -0.010 0.000 2.402 228 G HA2 -0.111 3.821 3.960 -0.046 0.000 0.216 228 G HA3 -0.111 3.821 3.960 -0.046 0.000 0.216 228 G C 1.792 176.657 174.900 -0.057 0.000 1.162 228 G CA 0.706 45.802 45.100 -0.007 0.000 0.777 228 G HN 0.428 nan 8.290 nan 0.000 0.539 229 I N 0.437 120.954 120.570 -0.087 0.000 2.226 229 I HA -0.127 4.015 4.170 -0.046 0.000 0.245 229 I C 2.653 178.646 176.117 -0.206 0.000 1.100 229 I CA 0.825 62.038 61.300 -0.145 0.000 1.374 229 I CB -0.140 37.784 38.000 -0.127 0.000 1.057 229 I HN 0.153 nan 8.210 nan 0.000 0.413 230 I N 0.559 120.951 120.570 -0.298 0.000 2.202 230 I HA -0.270 3.872 4.170 -0.046 0.000 0.242 230 I C 2.805 178.785 176.117 -0.228 0.000 1.091 230 I CA 1.276 62.307 61.300 -0.448 0.000 1.368 230 I CB -0.469 37.164 38.000 -0.612 0.000 1.058 230 I HN 0.170 nan 8.210 nan 0.000 0.410 231 A N 0.853 123.572 122.820 -0.169 0.000 1.883 231 A HA -0.238 4.055 4.320 -0.046 0.000 0.217 231 A C 2.545 180.027 177.584 -0.170 0.000 1.186 231 A CA 2.095 54.041 52.037 -0.152 0.000 0.624 231 A CB -0.946 17.988 19.000 -0.111 0.000 0.822 231 A HN 0.446 nan 8.150 nan 0.000 0.444 232 A N -0.217 122.517 122.820 -0.143 0.000 1.908 232 A HA -0.216 4.077 4.320 -0.046 0.000 0.218 232 A C 1.863 179.280 177.584 -0.277 0.000 1.181 232 A CA 2.298 54.246 52.037 -0.148 0.000 0.627 232 A CB -0.706 18.229 19.000 -0.109 0.000 0.818 232 A HN 0.582 nan 8.150 nan 0.000 0.445 233 D N -0.981 119.263 120.400 -0.261 0.000 2.084 233 D HA -0.140 4.473 4.640 -0.046 0.000 0.196 233 D C 2.166 178.387 176.300 -0.131 0.000 0.985 233 D CA 1.153 55.023 54.000 -0.217 0.000 0.826 233 D CB -0.049 40.735 40.800 -0.027 0.000 0.978 233 D HN 0.158 nan 8.370 nan 0.000 0.456 234 R N -0.051 120.394 120.500 -0.092 0.000 2.092 234 R HA 0.013 4.326 4.340 -0.046 0.000 0.231 234 R C 2.517 178.743 176.300 -0.124 0.000 1.119 234 R CA 0.473 56.526 56.100 -0.078 0.000 0.970 234 R CB -0.914 29.349 30.300 -0.061 0.000 0.864 234 R HN 0.364 nan 8.270 nan 0.000 0.440 235 L N 0.887 121.996 121.223 -0.191 0.000 2.109 235 L HA -0.113 4.199 4.340 -0.046 0.000 0.207 235 L C 2.465 179.271 176.870 -0.108 0.000 1.086 235 L CA 1.481 56.173 54.840 -0.246 0.000 0.760 235 L CB -0.514 41.244 42.059 -0.501 0.000 0.910 235 L HN 0.226 nan 8.230 nan 0.000 0.437 236 S N -0.839 114.814 115.700 -0.078 0.000 2.402 236 S HA -0.244 4.198 4.470 -0.046 0.000 0.229 236 S C 1.808 176.397 174.600 -0.018 0.000 1.021 236 S CA 1.212 59.410 58.200 -0.004 0.000 0.974 236 S CB -0.346 62.848 63.200 -0.010 0.000 0.800 236 S HN 0.487 nan 8.310 nan 0.000 0.484 237 E N 1.726 121.895 120.200 -0.053 0.000 2.153 237 E HA -0.059 4.264 4.350 -0.046 0.000 0.194 237 E C 1.815 178.403 176.600 -0.021 0.000 0.988 237 E CA 0.910 57.287 56.400 -0.039 0.000 0.811 237 E CB -0.388 29.284 29.700 -0.048 0.000 0.746 237 E HN 0.709 nan 8.360 nan 0.000 0.466 238 A N -0.061 122.745 122.820 -0.024 0.000 2.235 238 A HA 0.213 4.506 4.320 -0.046 0.000 0.208 238 A C 1.611 179.206 177.584 0.018 0.000 1.172 238 A CA 0.922 52.954 52.037 -0.009 0.000 0.786 238 A CB -0.435 18.552 19.000 -0.021 0.000 0.804 238 A HN 0.469 nan 8.150 nan 0.000 0.479 239 G N -0.760 108.058 108.800 0.029 0.000 2.141 239 G HA2 -0.219 3.714 3.960 -0.046 0.000 0.242 239 G HA3 -0.219 3.714 3.960 -0.046 0.000 0.242 239 G C 0.109 175.057 174.900 0.081 0.000 0.982 239 G CA 0.315 45.445 45.100 0.050 0.000 0.662 239 G HN 0.433 nan 8.290 nan 0.000 0.527 240 K N 0.299 120.763 120.400 0.108 0.000 2.126 240 K HA 0.376 4.668 4.320 -0.046 0.000 0.257 240 K C 0.372 177.093 176.600 0.201 0.000 1.007 240 K CA -0.641 55.750 56.287 0.174 0.000 0.928 240 K CB 1.110 33.781 32.500 0.284 0.000 1.013 240 K HN 0.279 nan 8.250 nan 0.000 0.473 241 K N 1.877 122.402 120.400 0.208 0.000 2.273 241 K HA 0.183 4.475 4.320 -0.046 0.000 0.287 241 K C -0.978 175.841 176.600 0.366 0.000 1.089 241 K CA -0.295 56.133 56.287 0.235 0.000 0.909 241 K CB 0.402 32.981 32.500 0.133 0.000 1.123 241 K HN 0.215 nan 8.250 nan 0.000 0.473 242 V N 5.822 125.959 119.914 0.372 0.000 2.495 242 V HA 0.366 4.458 4.120 -0.046 0.000 0.298 242 V C -0.760 175.432 176.094 0.162 0.000 1.031 242 V CA -1.063 61.444 62.300 0.344 0.000 0.871 242 V CB 1.497 33.544 31.823 0.372 0.000 0.988 242 V HN 0.619 nan 8.190 nan 0.000 0.432 243 L N 5.909 127.072 121.223 -0.100 0.000 2.333 243 L HA 0.733 5.046 4.340 -0.046 0.000 0.280 243 L C -1.028 175.758 176.870 -0.142 0.000 1.004 243 L CA -0.358 54.223 54.840 -0.432 0.000 0.820 243 L CB 1.530 42.961 42.059 -1.047 0.000 1.247 243 L HN 0.624 nan 8.230 nan 0.000 0.416 244 L N 5.899 127.076 121.223 -0.076 0.000 2.313 244 L HA 0.642 4.955 4.340 -0.046 0.000 0.283 244 L C -1.461 175.516 176.870 0.177 0.000 1.013 244 L CA -0.158 54.767 54.840 0.141 0.000 0.816 244 L CB 1.396 43.642 42.059 0.312 0.000 1.236 244 L HN 0.611 nan 8.230 nan 0.000 0.419 245 L N 3.913 125.206 121.223 0.117 0.000 2.334 245 L HA 0.712 5.025 4.340 -0.046 0.000 0.276 245 L C -0.760 176.185 176.870 0.125 0.000 1.014 245 L CA -0.695 54.183 54.840 0.062 0.000 0.815 245 L CB 1.947 44.002 42.059 -0.006 0.000 1.268 245 L HN 0.600 nan 8.230 nan 0.000 0.428 246 E N 1.171 121.409 120.200 0.064 0.000 2.290 246 E HA 0.282 4.605 4.350 -0.046 0.000 0.274 246 E C 0.127 176.732 176.600 0.009 0.000 0.889 246 E CA -0.735 55.716 56.400 0.084 0.000 0.760 246 E CB 1.451 31.254 29.700 0.172 0.000 1.206 246 E HN 0.523 nan 8.360 nan 0.000 0.419 247 R N 2.458 122.976 120.500 0.029 0.000 2.148 247 R HA 0.219 4.532 4.340 -0.046 0.000 0.223 247 R C 0.944 177.248 176.300 0.008 0.000 1.088 247 R CA 0.837 56.944 56.100 0.013 0.000 0.985 247 R CB -0.093 30.224 30.300 0.028 0.000 0.880 247 R HN 0.313 nan 8.270 nan 0.000 0.451 248 G N -0.013 108.801 108.800 0.024 0.000 2.525 248 G HA2 0.491 4.424 3.960 -0.046 0.000 0.287 248 G HA3 0.491 4.424 3.960 -0.046 0.000 0.287 248 G C -0.460 174.438 174.900 -0.003 0.000 1.350 248 G CA -0.373 44.743 45.100 0.027 0.000 1.039 248 G HN 0.324 nan 8.290 nan 0.000 0.513 249 G N -1.375 107.431 108.800 0.010 0.000 2.753 249 G HA2 0.647 4.580 3.960 -0.046 0.000 0.285 249 G HA3 0.647 4.580 3.960 -0.046 0.000 0.285 249 G C -2.767 172.135 174.900 0.003 0.000 1.344 249 G CA -1.228 43.863 45.100 -0.015 0.000 1.050 249 G HN 0.490 nan 8.290 nan 0.000 0.532 250 P HA 0.085 nan 4.420 nan 0.000 0.269 250 P C 0.340 177.653 177.300 0.022 0.000 1.211 250 P CA 0.271 63.391 63.100 0.034 0.000 0.781 250 P CB 1.193 32.922 31.700 0.049 0.000 0.877 251 S N -0.387 115.307 115.700 -0.010 0.000 3.248 251 S HA 0.200 4.643 4.470 -0.046 0.000 0.173 251 S C 0.525 175.220 174.600 0.158 0.000 0.749 251 S CA 0.191 58.286 58.200 -0.175 0.000 0.898 251 S CB -1.015 61.964 63.200 -0.368 0.000 1.027 251 S HN 0.524 nan 8.310 nan 0.000 0.781 252 T N 0.113 114.749 114.554 0.137 0.000 2.813 252 T HA 0.348 4.671 4.350 -0.046 0.000 0.297 252 T C 0.922 175.701 174.700 0.132 0.000 1.036 252 T CA -0.231 61.975 62.100 0.177 0.000 1.044 252 T CB 0.715 69.654 68.868 0.118 0.000 0.993 252 T HN 0.547 nan 8.240 nan 0.000 0.535 253 K N 0.739 121.202 120.400 0.104 0.000 2.059 253 K HA -0.305 3.987 4.320 -0.046 0.000 0.212 253 K C 2.420 179.058 176.600 0.063 0.000 1.050 253 K CA 2.305 58.634 56.287 0.070 0.000 0.927 253 K CB -0.365 32.156 32.500 0.035 0.000 0.714 253 K HN 0.890 nan 8.250 nan 0.000 0.447 254 Q N -0.308 119.529 119.800 0.060 0.000 2.291 254 Q HA -0.105 4.207 4.340 -0.046 0.000 0.205 254 Q C 1.374 177.421 176.000 0.077 0.000 0.970 254 Q CA 1.718 57.556 55.803 0.058 0.000 0.876 254 Q CB -0.311 28.457 28.738 0.050 0.000 0.935 254 Q HN 0.375 nan 8.270 nan 0.000 0.455 255 T N -4.059 110.550 114.554 0.092 0.000 3.107 255 T HA 0.403 4.725 4.350 -0.046 0.000 0.249 255 T C 1.245 175.999 174.700 0.089 0.000 1.096 255 T CA 0.367 62.535 62.100 0.113 0.000 1.012 255 T CB 0.525 69.470 68.868 0.128 0.000 0.977 255 T HN 0.609 nan 8.240 nan 0.000 0.527 256 G N 0.269 109.114 108.800 0.075 0.000 2.163 256 G HA2 -0.023 3.910 3.960 -0.046 0.000 0.213 256 G HA3 -0.023 3.910 3.960 -0.046 0.000 0.213 256 G C 0.375 175.317 174.900 0.070 0.000 0.991 256 G CA -0.334 44.801 45.100 0.058 0.000 0.653 256 G HN 0.981 nan 8.290 nan 0.000 0.518 257 G N -0.231 108.631 108.800 0.104 0.000 2.483 257 G HA2 0.568 4.500 3.960 -0.046 0.000 0.248 257 G HA3 0.568 4.500 3.960 -0.046 0.000 0.248 257 G C 0.893 175.883 174.900 0.149 0.000 1.248 257 G CA 1.031 46.225 45.100 0.158 0.000 0.838 257 G HN 1.297 nan 8.290 nan 0.000 0.566 258 T N -1.695 112.965 114.554 0.176 0.000 3.275 258 T HA 0.122 4.444 4.350 -0.046 0.000 0.298 258 T C -0.154 174.681 174.700 0.225 0.000 0.988 258 T CA -0.332 61.853 62.100 0.141 0.000 0.936 258 T CB -0.150 68.772 68.868 0.089 0.000 1.159 258 T HN 0.347 nan 8.240 nan 0.000 0.519 259 Y N 2.832 123.241 120.300 0.182 0.000 2.691 259 Y HA 0.587 5.110 4.550 -0.046 0.000 0.338 259 Y C -0.759 175.278 175.900 0.227 0.000 1.148 259 Y CA -1.673 56.581 58.100 0.256 0.000 1.430 259 Y CB -0.200 38.523 38.460 0.438 0.000 1.303 259 Y HN 0.096 nan 8.280 nan 0.000 0.499 260 V N 5.114 124.984 119.914 -0.072 0.000 2.459 260 V HA 0.652 4.744 4.120 -0.046 0.000 0.295 260 V C 0.360 176.030 176.094 -0.706 0.000 1.029 260 V CA -1.112 61.008 62.300 -0.300 0.000 0.874 260 V CB 1.111 32.785 31.823 -0.248 0.000 0.985 260 V HN 0.832 nan 8.190 nan 0.000 0.438 261 A N 6.395 128.466 122.820 -1.248 0.000 2.520 261 A HA 0.368 4.661 4.320 -0.046 0.000 0.235 261 A C -1.279 175.644 177.584 -1.102 0.000 1.065 261 A CA -0.581 50.298 52.037 -1.929 0.000 0.764 261 A CB -0.185 17.675 19.000 -1.899 0.000 1.002 261 A HN 0.727 nan 8.150 nan 0.000 0.502 262 P HA -0.196 nan 4.420 nan 0.000 0.215 262 P C 1.565 178.691 177.300 -0.291 0.000 1.157 262 P CA 2.112 64.965 63.100 -0.412 0.000 0.874 262 P CB -0.209 31.334 31.700 -0.261 0.000 0.790 263 W N -0.435 120.650 121.300 -0.357 0.000 2.392 263 W HA 0.107 4.740 4.660 -0.046 0.000 0.279 263 W C 1.258 177.632 176.519 -0.242 0.000 1.225 263 W CA 0.895 58.082 57.345 -0.263 0.000 1.233 263 W CB -1.494 27.808 29.460 -0.262 0.000 1.122 263 W HN -0.100 nan 8.180 nan 0.000 0.561 264 A N 1.210 123.520 122.820 -0.850 0.000 2.275 264 A HA 0.089 4.381 4.320 -0.046 0.000 0.212 264 A C 1.824 179.149 177.584 -0.432 0.000 1.201 264 A CA 1.086 52.620 52.037 -0.839 0.000 0.843 264 A CB -0.897 17.267 19.000 -1.394 0.000 0.873 264 A HN 0.199 nan 8.150 nan 0.000 0.492 265 T N 1.312 115.664 114.554 -0.337 0.000 2.649 265 T HA -0.259 4.064 4.350 -0.046 0.000 0.268 265 T C 2.284 176.895 174.700 -0.149 0.000 1.036 265 T CA 2.403 64.370 62.100 -0.223 0.000 1.157 265 T CB -0.473 68.296 68.868 -0.164 0.000 0.861 265 T HN 0.841 nan 8.240 nan 0.000 0.445 266 S N 1.572 117.205 115.700 -0.111 0.000 2.447 266 S HA -0.090 4.352 4.470 -0.046 0.000 0.233 266 S C 2.203 176.758 174.600 -0.075 0.000 1.006 266 S CA 1.243 59.399 58.200 -0.073 0.000 0.957 266 S CB -0.531 62.641 63.200 -0.046 0.000 0.773 266 S HN 0.658 nan 8.310 nan 0.000 0.507 267 S N 0.762 116.402 115.700 -0.100 0.000 2.470 267 S HA 0.353 4.796 4.470 -0.046 0.000 0.225 267 S C 1.849 176.396 174.600 -0.090 0.000 1.006 267 S CA 0.688 58.833 58.200 -0.092 0.000 0.934 267 S CB -0.980 62.159 63.200 -0.101 0.000 0.778 267 S HN 1.457 nan 8.310 nan 0.000 0.517 268 G N 1.101 109.834 108.800 -0.112 0.000 2.175 268 G HA2 -0.253 3.680 3.960 -0.046 0.000 0.265 268 G HA3 -0.253 3.680 3.960 -0.046 0.000 0.265 268 G C -0.030 174.818 174.900 -0.088 0.000 0.979 268 G CA 0.557 45.604 45.100 -0.090 0.000 0.663 268 G HN 0.589 nan 8.290 nan 0.000 0.533 269 L N 2.026 123.174 121.223 -0.125 0.000 2.360 269 L HA 0.438 4.751 4.340 -0.046 0.000 0.276 269 L C 1.571 178.343 176.870 -0.164 0.000 1.121 269 L CA 0.044 54.822 54.840 -0.102 0.000 0.845 269 L CB 0.748 42.771 42.059 -0.060 0.000 1.143 269 L HN 0.403 nan 8.230 nan 0.000 0.452 270 T N -0.878 113.629 114.554 -0.080 0.000 2.770 270 T HA 0.134 4.456 4.350 -0.046 0.000 0.281 270 T C 1.074 175.658 174.700 -0.193 0.000 0.981 270 T CA -0.663 61.389 62.100 -0.080 0.000 0.955 270 T CB 1.101 70.036 68.868 0.112 0.000 1.060 270 T HN 0.596 nan 8.240 nan 0.000 0.531 271 K N -0.634 119.577 120.400 -0.315 0.000 2.160 271 K HA -0.093 4.199 4.320 -0.046 0.000 0.206 271 K C 1.600 177.795 176.600 -0.674 0.000 1.047 271 K CA 1.536 57.500 56.287 -0.539 0.000 0.930 271 K CB -0.369 31.561 32.500 -0.950 0.000 0.720 271 K HN 0.654 nan 8.250 nan 0.000 0.450 272 F N 0.667 120.528 119.950 -0.148 0.000 2.473 272 F HA 0.001 4.500 4.527 -0.045 0.000 0.294 272 F C 1.902 177.642 175.800 -0.100 0.000 1.103 272 F CA 0.476 58.384 58.000 -0.153 0.000 1.442 272 F CB -0.164 38.758 39.000 -0.130 0.000 1.097 272 F HN 0.002 nan 8.300 nan 0.000 0.547 273 D N 0.635 121.052 120.400 0.028 0.000 2.183 273 D HA 0.004 4.617 4.640 -0.046 0.000 0.203 273 D C 0.802 177.048 176.300 -0.090 0.000 0.969 273 D CA 0.989 54.982 54.000 -0.012 0.000 0.842 273 D CB 0.262 41.062 40.800 -0.000 0.000 0.957 273 D HN 0.204 nan 8.370 nan 0.000 0.484 274 I N 2.004 122.498 120.570 -0.126 0.000 2.297 274 I HA 0.077 4.219 4.170 -0.046 0.000 0.291 274 I C -1.637 174.375 176.117 -0.175 0.000 1.033 274 I CA -1.898 59.291 61.300 -0.184 0.000 1.253 274 I CB 1.764 39.601 38.000 -0.271 0.000 1.396 274 I HN -0.301 nan 8.210 nan 0.000 0.476 275 P HA -0.161 nan 4.420 nan 0.000 0.216 275 P C 1.569 178.853 177.300 -0.028 0.000 1.153 275 P CA 1.128 64.044 63.100 -0.305 0.000 0.858 275 P CB 0.241 31.560 31.700 -0.635 0.000 0.789 276 G N -0.946 107.905 108.800 0.086 0.000 2.598 276 G HA2 -0.135 3.798 3.960 -0.046 0.000 0.215 276 G HA3 -0.135 3.798 3.960 -0.046 0.000 0.215 276 G C 1.181 176.343 174.900 0.437 0.000 1.131 276 G CA 0.109 45.374 45.100 0.274 0.000 0.785 276 G HN 0.258 nan 8.290 nan 0.000 0.539 277 L N -0.037 121.384 121.223 0.330 0.000 2.591 277 L HA 0.209 4.522 4.340 -0.046 0.000 0.228 277 L C 2.166 179.105 176.870 0.116 0.000 1.133 277 L CA -0.392 54.612 54.840 0.274 0.000 0.880 277 L CB -0.274 41.874 42.059 0.149 0.000 1.033 277 L HN 0.208 nan 8.230 nan 0.000 0.450 278 F N 1.830 121.769 119.950 -0.017 0.000 2.063 278 F HA -0.288 4.211 4.527 -0.046 0.000 0.298 278 F C 2.400 178.231 175.800 0.052 0.000 1.109 278 F CA 1.842 59.825 58.000 -0.029 0.000 1.212 278 F CB -0.034 38.964 39.000 -0.004 0.000 0.973 278 F HN 0.086 nan 8.300 nan 0.000 0.480 279 E N 0.216 120.241 120.200 -0.291 0.000 2.204 279 E HA -0.166 4.157 4.350 -0.046 0.000 0.195 279 E C 2.395 179.003 176.600 0.014 0.000 0.990 279 E CA 1.277 57.520 56.400 -0.262 0.000 0.821 279 E CB -0.701 28.835 29.700 -0.274 0.000 0.750 279 E HN 0.583 nan 8.360 nan 0.000 0.477 280 S N 0.243 115.956 115.700 0.022 0.000 2.555 280 S HA -0.010 4.432 4.470 -0.046 0.000 0.230 280 S C 1.945 176.452 174.600 -0.155 0.000 0.978 280 S CA 0.207 58.422 58.200 0.026 0.000 0.934 280 S CB -0.369 62.892 63.200 0.102 0.000 0.766 280 S HN 0.183 nan 8.310 nan 0.000 0.533 281 L N -0.640 120.352 121.223 -0.386 0.000 2.465 281 L HA 0.159 4.472 4.340 -0.046 0.000 0.224 281 L C 1.085 177.727 176.870 -0.381 0.000 1.145 281 L CA 0.806 55.293 54.840 -0.588 0.000 0.834 281 L CB -0.373 41.099 42.059 -0.979 0.000 0.944 281 L HN 0.349 nan 8.230 nan 0.000 0.451 282 F N -2.040 117.980 119.950 0.115 0.000 2.678 282 F HA 0.069 4.568 4.527 -0.046 0.000 0.305 282 F C 1.843 177.745 175.800 0.170 0.000 1.090 282 F CA 0.266 58.380 58.000 0.190 0.000 1.272 282 F CB 0.005 39.028 39.000 0.039 0.000 1.060 282 F HN -0.024 nan 8.300 nan 0.000 0.576 283 T N -4.361 110.327 114.554 0.224 0.000 3.091 283 T HA 0.108 4.430 4.350 -0.046 0.000 0.277 283 T C 0.136 174.905 174.700 0.115 0.000 0.996 283 T CA -0.346 61.860 62.100 0.177 0.000 0.897 283 T CB -0.006 68.968 68.868 0.177 0.000 1.109 283 T HN -0.039 nan 8.240 nan 0.000 0.534 284 D N 2.137 122.594 120.400 0.095 0.000 2.341 284 D HA 0.136 4.748 4.640 -0.046 0.000 0.245 284 D C 1.403 177.717 176.300 0.025 0.000 1.106 284 D CA 0.280 54.300 54.000 0.033 0.000 0.905 284 D CB 2.000 42.857 40.800 0.096 0.000 1.202 284 D HN 0.334 nan 8.370 nan 0.000 0.426 285 S N 2.597 118.312 115.700 0.026 0.000 2.481 285 S HA -0.139 4.303 4.470 -0.046 0.000 0.231 285 S C 0.809 175.394 174.600 -0.026 0.000 0.996 285 S CA 0.274 58.487 58.200 0.023 0.000 0.942 285 S CB 0.087 63.317 63.200 0.050 0.000 0.768 285 S HN 0.487 nan 8.310 nan 0.000 0.520 286 N N 1.900 120.551 118.700 -0.082 0.000 2.726 286 N HA 0.346 5.058 4.740 -0.046 0.000 0.253 286 N C -3.208 172.028 175.510 -0.457 0.000 1.530 286 N CA -1.585 51.369 53.050 -0.159 0.000 0.772 286 N CB 1.349 39.805 38.487 -0.053 0.000 1.220 286 N HN 0.079 nan 8.380 nan 0.000 0.508 287 P HA 0.108 nan 4.420 nan 0.000 0.252 287 P C 0.418 176.763 177.300 -1.593 0.000 1.727 287 P CA -0.442 61.487 63.100 -1.951 0.000 1.134 287 P CB -0.736 30.160 31.700 -1.341 0.000 1.876 288 F N 0.464 119.741 119.950 -1.122 0.000 2.546 288 F HA 0.019 4.518 4.527 -0.046 0.000 0.298 288 F C 1.416 176.998 175.800 -0.363 0.000 1.120 288 F CA -0.472 57.221 58.000 -0.513 0.000 1.456 288 F CB -1.391 37.446 39.000 -0.271 0.000 1.088 288 F HN 0.179 nan 8.300 nan 0.000 0.572 289 W N -0.768 120.095 121.300 -0.729 0.000 2.905 289 W HA 0.249 4.882 4.660 -0.046 0.000 0.251 289 W C 0.086 176.381 176.519 -0.374 0.000 1.305 289 W CA -1.512 55.474 57.345 -0.598 0.000 1.465 289 W CB -1.334 27.642 29.460 -0.807 0.000 1.122 289 W HN -0.101 nan 8.180 nan 0.000 0.659 290 W N 1.131 122.324 121.300 -0.178 0.000 2.316 290 W HA 0.392 5.025 4.660 -0.046 0.000 0.321 290 W C 0.040 176.557 176.519 -0.003 0.000 1.203 290 W CA -1.401 55.943 57.345 -0.001 0.000 1.214 290 W CB 0.418 29.883 29.460 0.008 0.000 1.169 290 W HN -0.409 nan 8.180 nan 0.000 0.561 291 c N 3.238 122.019 118.600 0.302 0.000 2.633 291 c HA -0.034 4.509 4.570 -0.046 0.000 0.415 291 c C 1.697 175.847 174.090 0.099 0.000 1.393 291 c CA -0.288 56.132 56.329 0.152 0.000 1.700 291 c CB -0.397 42.186 42.510 0.122 0.000 2.541 291 c HN 0.763 nan 8.230 nan 0.000 0.603 292 K N 1.219 121.654 120.400 0.059 0.000 2.486 292 K HA -0.052 4.241 4.320 -0.046 0.000 0.194 292 K C 0.558 177.157 176.600 -0.002 0.000 1.033 292 K CA 0.929 57.232 56.287 0.027 0.000 1.004 292 K CB 0.020 32.531 32.500 0.017 0.000 0.798 292 K HN 0.807 nan 8.250 nan 0.000 0.495 293 D N -0.048 120.349 120.400 -0.004 0.000 2.593 293 D HA 0.146 4.759 4.640 -0.046 0.000 0.241 293 D C -0.123 176.146 176.300 -0.053 0.000 1.257 293 D CA -0.202 53.785 54.000 -0.020 0.000 0.828 293 D CB 0.046 40.845 40.800 -0.003 0.000 1.049 293 D HN 0.001 nan 8.370 nan 0.000 0.490 294 I N 0.619 121.131 120.570 -0.097 0.000 2.545 294 I HA 0.191 4.333 4.170 -0.046 0.000 0.292 294 I C 1.072 177.030 176.117 -0.266 0.000 1.040 294 I CA -0.732 60.430 61.300 -0.230 0.000 1.068 294 I CB 2.440 40.265 38.000 -0.292 0.000 1.251 294 I HN -0.104 nan 8.210 nan 0.000 0.424 295 T N 1.561 115.923 114.554 -0.321 0.000 3.148 295 T HA 0.129 4.451 4.350 -0.046 0.000 0.253 295 T C 0.407 174.916 174.700 -0.318 0.000 1.134 295 T CA 0.017 61.960 62.100 -0.261 0.000 1.051 295 T CB -0.416 68.342 68.868 -0.184 0.000 0.959 295 T HN 0.409 nan 8.240 nan 0.000 0.525 296 V N -2.539 117.121 119.914 -0.422 0.000 3.046 296 V HA 0.764 4.857 4.120 -0.046 0.000 0.316 296 V C -0.438 175.461 176.094 -0.324 0.000 1.104 296 V CA -2.020 60.053 62.300 -0.377 0.000 1.006 296 V CB 0.803 32.520 31.823 -0.176 0.000 1.058 296 V HN 0.043 nan 8.190 nan 0.000 0.440 297 F N 1.737 121.567 119.950 -0.199 0.000 2.578 297 F HA 0.616 5.115 4.527 -0.046 0.000 0.376 297 F C 0.861 176.674 175.800 0.022 0.000 1.085 297 F CA 0.815 58.640 58.000 -0.292 0.000 1.260 297 F CB 0.126 38.880 39.000 -0.410 0.000 1.095 297 F HN 1.005 nan 8.300 nan 0.000 0.573 298 A N 2.296 125.342 122.820 0.376 0.000 2.547 298 A HA 0.690 4.983 4.320 -0.046 0.000 0.297 298 A C -0.327 177.591 177.584 0.556 0.000 1.056 298 A CA -0.387 51.894 52.037 0.407 0.000 0.688 298 A CB 0.977 20.118 19.000 0.234 0.000 1.282 298 A HN 0.924 nan 8.150 nan 0.000 0.400 299 G N -0.089 108.993 108.800 0.470 0.000 2.339 299 G HA2 0.473 4.406 3.960 -0.046 0.000 0.287 299 G HA3 0.473 4.406 3.960 -0.046 0.000 0.287 299 G C -0.383 174.650 174.900 0.221 0.000 1.163 299 G CA -0.156 45.156 45.100 0.354 0.000 0.872 299 G HN 0.851 nan 8.290 nan 0.000 0.464 300 c N 4.759 123.463 118.600 0.173 0.000 2.621 300 c HA 0.676 5.219 4.570 -0.046 0.000 0.272 300 c C -0.042 174.094 174.090 0.077 0.000 1.119 300 c CA -0.640 55.762 56.329 0.121 0.000 1.593 300 c CB -2.290 40.293 42.510 0.122 0.000 1.749 300 c HN 0.747 nan 8.230 nan 0.000 0.420 301 L N -0.363 120.889 121.223 0.047 0.000 3.020 301 L HA 0.631 4.943 4.340 -0.046 0.000 0.273 301 L C -0.937 175.945 176.870 0.020 0.000 1.018 301 L CA -0.950 53.890 54.840 0.001 0.000 0.950 301 L CB 0.910 42.899 42.059 -0.117 0.000 1.510 301 L HN -0.120 nan 8.230 nan 0.000 0.404 302 V N 1.861 121.797 119.914 0.036 0.000 2.509 302 V HA 0.363 4.456 4.120 -0.046 0.000 0.297 302 V C 1.416 177.540 176.094 0.050 0.000 1.014 302 V CA 1.902 64.277 62.300 0.124 0.000 1.127 302 V CB -0.183 31.758 31.823 0.197 0.000 0.925 302 V HN 1.236 nan 8.190 nan 0.000 0.480 303 G N 3.205 112.050 108.800 0.074 0.000 2.213 303 G HA2 0.007 3.940 3.960 -0.046 0.000 0.226 303 G HA3 0.007 3.940 3.960 -0.046 0.000 0.226 303 G C 1.014 175.953 174.900 0.065 0.000 0.992 303 G CA 0.295 45.425 45.100 0.050 0.000 0.632 303 G HN 2.105 nan 8.290 nan 0.000 0.511 304 G N -0.225 108.618 108.800 0.073 0.000 2.596 304 G HA2 0.085 4.018 3.960 -0.046 0.000 0.295 304 G HA3 0.085 4.018 3.960 -0.046 0.000 0.295 304 G C 1.867 176.848 174.900 0.136 0.000 1.240 304 G CA 1.945 47.113 45.100 0.112 0.000 0.985 304 G HN 1.885 nan 8.290 nan 0.000 0.555 305 G N -0.739 108.176 108.800 0.192 0.000 2.462 305 G HA2 0.050 3.983 3.960 -0.046 0.000 0.220 305 G HA3 0.050 3.983 3.960 -0.046 0.000 0.220 305 G C 2.005 177.027 174.900 0.202 0.000 1.121 305 G CA 2.644 47.891 45.100 0.245 0.000 0.758 305 G HN 1.990 nan 8.290 nan 0.000 0.559 306 T N -2.057 112.587 114.554 0.150 0.000 3.051 306 T HA 0.026 4.349 4.350 -0.046 0.000 0.269 306 T C 2.230 177.000 174.700 0.115 0.000 1.127 306 T CA 1.535 63.712 62.100 0.128 0.000 1.107 306 T CB -0.092 68.834 68.868 0.097 0.000 0.898 306 T HN 0.111 nan 8.240 nan 0.000 0.517 307 S N 0.634 116.381 115.700 0.080 0.000 2.528 307 S HA 0.188 4.631 4.470 -0.046 0.000 0.219 307 S C 1.613 176.268 174.600 0.091 0.000 0.985 307 S CA 0.453 58.676 58.200 0.039 0.000 0.914 307 S CB 0.332 63.451 63.200 -0.135 0.000 0.776 307 S HN 0.704 nan 8.310 nan 0.000 0.526 308 V N -0.435 119.555 119.914 0.126 0.000 3.337 308 V HA 0.357 4.449 4.120 -0.046 0.000 0.307 308 V C -0.068 176.251 176.094 0.374 0.000 1.505 308 V CA -0.694 61.692 62.300 0.142 0.000 1.072 308 V CB -0.832 30.988 31.823 -0.004 0.000 0.929 308 V HN 0.367 nan 8.190 nan 0.000 0.455 309 N N 1.328 120.224 118.700 0.326 0.000 2.447 309 N HA 0.458 5.170 4.740 -0.046 0.000 0.271 309 N C 1.312 176.799 175.510 -0.039 0.000 1.226 309 N CA 0.069 53.314 53.050 0.324 0.000 0.980 309 N CB 0.887 39.531 38.487 0.262 0.000 1.206 309 N HN 0.038 nan 8.380 nan 0.000 0.558 310 G N -1.976 106.594 108.800 -0.382 0.000 2.679 310 G HA2 0.219 4.151 3.960 -0.046 0.000 0.212 310 G HA3 0.219 4.151 3.960 -0.046 0.000 0.212 310 G C 0.765 175.526 174.900 -0.231 0.000 1.137 310 G CA 0.613 45.133 45.100 -0.966 0.000 0.787 310 G HN 1.421 nan 8.290 nan 0.000 0.534 311 A N -1.452 121.344 122.820 -0.041 0.000 2.979 311 A HA -0.181 4.111 4.320 -0.046 0.000 0.260 311 A C 0.786 178.330 177.584 -0.066 0.000 1.282 311 A CA 0.861 52.911 52.037 0.022 0.000 0.971 311 A CB -2.136 16.911 19.000 0.080 0.000 1.124 311 A HN 0.439 nan 8.150 nan 0.000 0.826 312 L N -0.737 120.410 121.223 -0.126 0.000 2.499 312 L HA 0.292 4.604 4.340 -0.046 0.000 0.273 312 L C 0.249 176.766 176.870 -0.589 0.000 1.195 312 L CA 0.402 54.957 54.840 -0.475 0.000 0.882 312 L CB 0.339 42.284 42.059 -0.190 0.000 1.133 312 L HN 0.453 nan 8.230 nan 0.000 0.483 313 Y N 3.813 123.345 120.300 -1.281 0.000 2.333 313 Y HA 0.387 4.909 4.550 -0.046 0.000 0.324 313 Y C -1.581 173.698 175.900 -1.035 0.000 1.033 313 Y CA -1.397 56.167 58.100 -0.893 0.000 1.224 313 Y CB 0.909 39.027 38.460 -0.571 0.000 1.120 313 Y HN 0.405 nan 8.280 nan 0.000 0.457 314 W N 6.324 127.424 121.300 -0.333 0.000 2.538 314 W HA 0.489 5.121 4.660 -0.046 0.000 0.322 314 W C -1.157 175.135 176.519 -0.379 0.000 1.028 314 W CA -1.070 56.035 57.345 -0.400 0.000 1.228 314 W CB 0.894 30.252 29.460 -0.170 0.000 1.356 314 W HN 0.369 nan 8.180 nan 0.000 0.452 315 Y N 3.949 124.138 120.300 -0.186 0.000 2.610 315 Y HA 0.088 4.610 4.550 -0.046 0.000 0.332 315 Y C -1.346 174.541 175.900 -0.022 0.000 1.201 315 Y CA -2.757 55.264 58.100 -0.131 0.000 1.465 315 Y CB -0.464 37.948 38.460 -0.080 0.000 1.283 315 Y HN 0.097 nan 8.280 nan 0.000 0.563 316 P HA 0.016 nan 4.420 nan 0.000 0.269 316 P C -0.719 176.583 177.300 0.003 0.000 1.209 316 P CA -0.282 62.857 63.100 0.065 0.000 0.776 316 P CB 0.864 32.645 31.700 0.135 0.000 0.876 317 N N 0.409 119.061 118.700 -0.080 0.000 2.458 317 N HA 0.122 4.834 4.740 -0.046 0.000 0.271 317 N C 0.481 175.955 175.510 -0.060 0.000 1.210 317 N CA -0.549 52.463 53.050 -0.063 0.000 0.978 317 N CB 0.116 38.508 38.487 -0.158 0.000 1.206 317 N HN 0.131 nan 8.380 nan 0.000 0.536 318 D N -0.496 119.952 120.400 0.081 0.000 2.144 318 D HA -0.073 4.540 4.640 -0.046 0.000 0.199 318 D C 1.856 178.198 176.300 0.071 0.000 0.984 318 D CA 1.503 55.605 54.000 0.171 0.000 0.834 318 D CB -0.817 40.071 40.800 0.147 0.000 0.955 318 D HN 0.816 nan 8.370 nan 0.000 0.465 319 G N 0.674 109.465 108.800 -0.014 0.000 2.443 319 G HA2 -0.214 3.719 3.960 -0.046 0.000 0.219 319 G HA3 -0.214 3.719 3.960 -0.046 0.000 0.219 319 G C 1.246 176.130 174.900 -0.026 0.000 1.131 319 G CA 0.469 45.555 45.100 -0.024 0.000 0.775 319 G HN 0.138 nan 8.290 nan 0.000 0.547 320 D N -0.060 120.287 120.400 -0.089 0.000 2.264 320 D HA -0.016 4.596 4.640 -0.046 0.000 0.208 320 D C 1.000 177.147 176.300 -0.255 0.000 0.966 320 D CA 0.559 54.463 54.000 -0.160 0.000 0.864 320 D CB -0.082 40.563 40.800 -0.258 0.000 0.933 320 D HN 0.393 nan 8.370 nan 0.000 0.499 321 F N 0.085 119.988 119.950 -0.079 0.000 2.668 321 F HA 0.186 4.685 4.527 -0.046 0.000 0.301 321 F C 1.031 176.854 175.800 0.038 0.000 1.106 321 F CA -0.382 57.437 58.000 -0.301 0.000 1.289 321 F CB 0.437 39.178 39.000 -0.433 0.000 1.006 321 F HN -0.337 nan 8.300 nan 0.000 0.535 322 S N 0.012 115.877 115.700 0.275 0.000 2.572 322 S HA 0.045 4.487 4.470 -0.046 0.000 0.279 322 S C 1.603 176.394 174.600 0.319 0.000 1.341 322 S CA 0.290 58.634 58.200 0.241 0.000 1.043 322 S CB 0.739 64.024 63.200 0.142 0.000 0.887 322 S HN 0.415 nan 8.310 nan 0.000 0.516 323 S N 2.928 118.777 115.700 0.248 0.000 2.447 323 S HA -0.118 4.325 4.470 -0.046 0.000 0.233 323 S C 1.921 176.615 174.600 0.157 0.000 1.006 323 S CA 1.150 59.487 58.200 0.228 0.000 0.957 323 S CB -0.795 62.513 63.200 0.180 0.000 0.773 323 S HN 0.910 nan 8.310 nan 0.000 0.507 324 S N 1.740 117.514 115.700 0.124 0.000 2.474 324 S HA -0.025 4.418 4.470 -0.046 0.000 0.235 324 S C 1.681 176.337 174.600 0.093 0.000 0.997 324 S CA 0.653 58.905 58.200 0.086 0.000 0.949 324 S CB -0.763 62.463 63.200 0.044 0.000 0.766 324 S HN 0.960 nan 8.310 nan 0.000 0.517 325 V N -2.737 117.234 119.914 0.095 0.000 3.621 325 V HA 0.727 4.820 4.120 -0.046 0.000 0.285 325 V C 1.328 177.405 176.094 -0.029 0.000 1.346 325 V CA 0.389 62.711 62.300 0.035 0.000 1.104 325 V CB -0.542 31.285 31.823 0.006 0.000 0.913 325 V HN 0.716 nan 8.190 nan 0.000 0.432 326 G N -1.203 107.590 108.800 -0.012 0.000 2.205 326 G HA2 -0.211 3.721 3.960 -0.046 0.000 0.180 326 G HA3 -0.211 3.721 3.960 -0.046 0.000 0.180 326 G C -0.304 174.510 174.900 -0.144 0.000 1.004 326 G CA -0.294 44.741 45.100 -0.108 0.000 0.670 326 G HN 0.532 nan 8.290 nan 0.000 0.496 327 W N 1.780 123.084 121.300 0.007 0.000 2.190 327 W HA 0.534 5.167 4.660 -0.044 0.000 0.330 327 W C -1.669 174.890 176.519 0.067 0.000 1.299 327 W CA -1.761 55.589 57.345 0.008 0.000 1.215 327 W CB 0.304 29.847 29.460 0.138 0.000 1.147 327 W HN -0.017 nan 8.180 nan 0.000 0.563 328 P HA -0.008 nan 4.420 nan 0.000 0.269 328 P C 0.615 178.139 177.300 0.373 0.000 1.215 328 P CA 0.251 63.536 63.100 0.308 0.000 0.780 328 P CB 0.750 32.650 31.700 0.334 0.000 0.898 329 S N 0.904 116.763 115.700 0.265 0.000 2.387 329 S HA -0.182 4.261 4.470 -0.046 0.000 0.230 329 S C 1.755 176.492 174.600 0.227 0.000 1.035 329 S CA 2.036 60.367 58.200 0.218 0.000 1.014 329 S CB -0.946 62.345 63.200 0.152 0.000 0.836 329 S HN 0.716 nan 8.310 nan 0.000 0.466 330 S N -0.861 114.997 115.700 0.264 0.000 2.555 330 S HA -0.018 4.425 4.470 -0.046 0.000 0.230 330 S C 0.991 175.674 174.600 0.138 0.000 0.978 330 S CA 0.249 58.561 58.200 0.187 0.000 0.934 330 S CB -0.445 62.861 63.200 0.177 0.000 0.766 330 S HN 0.681 nan 8.310 nan 0.000 0.533 331 W N 2.227 123.584 121.300 0.095 0.000 3.107 331 W HA 0.219 4.852 4.660 -0.045 0.000 0.293 331 W C 2.546 179.037 176.519 -0.048 0.000 1.239 331 W CA 0.369 57.722 57.345 0.015 0.000 1.653 331 W CB -0.388 29.145 29.460 0.122 0.000 1.068 331 W HN 0.467 nan 8.180 nan 0.000 0.615 332 T N -2.402 112.285 114.554 0.222 0.000 2.915 332 T HA -0.188 4.134 4.350 -0.046 0.000 0.269 332 T C 0.963 175.723 174.700 0.101 0.000 1.071 332 T CA 0.933 63.142 62.100 0.183 0.000 1.132 332 T CB -0.589 68.389 68.868 0.184 0.000 0.878 332 T HN 0.209 nan 8.240 nan 0.000 0.479 333 N N 1.544 120.253 118.700 0.015 0.000 2.895 333 N HA 0.044 4.756 4.740 -0.046 0.000 0.277 333 N C 0.816 176.234 175.510 -0.154 0.000 1.185 333 N CA -0.327 52.672 53.050 -0.084 0.000 1.106 333 N CB 0.110 38.548 38.487 -0.082 0.000 1.422 333 N HN 0.743 nan 8.380 nan 0.000 0.521 334 H N 1.252 120.169 119.070 -0.256 0.000 2.535 334 H HA 0.225 4.754 4.556 -0.046 0.000 0.273 334 H C 1.818 176.991 175.328 -0.259 0.000 0.983 334 H CA 0.762 56.561 56.048 -0.415 0.000 1.238 334 H CB 0.230 29.416 29.762 -0.960 0.000 1.412 334 H HN 0.418 nan 8.280 nan 0.000 0.562 335 A N 2.133 124.462 122.820 -0.818 0.000 1.892 335 A HA -0.113 4.179 4.320 -0.046 0.000 0.218 335 A C 0.120 177.452 177.584 -0.421 0.000 1.188 335 A CA 1.596 53.261 52.037 -0.620 0.000 0.631 335 A CB -1.421 17.278 19.000 -0.502 0.000 0.822 335 A HN 0.458 nan 8.150 nan 0.000 0.447 336 P HA -0.142 nan 4.420 nan 0.000 0.218 336 P C 0.745 177.668 177.300 -0.628 0.000 1.148 336 P CA 1.236 63.971 63.100 -0.609 0.000 0.822 336 P CB -0.168 31.024 31.700 -0.848 0.000 0.784 337 Y N -1.321 118.850 120.300 -0.215 0.000 2.314 337 Y HA -0.018 4.505 4.550 -0.045 0.000 0.294 337 Y C 2.497 178.331 175.900 -0.110 0.000 1.119 337 Y CA 1.113 59.112 58.100 -0.168 0.000 1.179 337 Y CB -1.734 36.587 38.460 -0.233 0.000 1.025 337 Y HN -0.129 nan 8.280 nan 0.000 0.541 338 T N -0.844 113.710 114.554 0.001 0.000 2.788 338 T HA -0.224 4.099 4.350 -0.046 0.000 0.268 338 T C 2.227 176.862 174.700 -0.108 0.000 1.044 338 T CA 1.651 63.752 62.100 0.002 0.000 1.139 338 T CB -0.480 68.443 68.868 0.093 0.000 0.867 338 T HN 0.356 nan 8.240 nan 0.000 0.454 339 S N 0.759 116.361 115.700 -0.162 0.000 2.368 339 S HA -0.145 4.298 4.470 -0.046 0.000 0.225 339 S C 2.031 176.564 174.600 -0.112 0.000 1.030 339 S CA 1.305 59.401 58.200 -0.174 0.000 0.999 339 S CB -0.210 62.877 63.200 -0.189 0.000 0.844 339 S HN 0.460 nan 8.310 nan 0.000 0.459 340 K N 0.342 120.695 120.400 -0.079 0.000 2.032 340 K HA -0.138 4.155 4.320 -0.046 0.000 0.209 340 K C 2.136 178.760 176.600 0.041 0.000 1.048 340 K CA 1.636 57.911 56.287 -0.020 0.000 0.927 340 K CB -0.531 31.985 32.500 0.028 0.000 0.712 340 K HN 0.370 nan 8.250 nan 0.000 0.441 341 L N 1.487 122.772 121.223 0.104 0.000 2.012 341 L HA -0.205 4.107 4.340 -0.046 0.000 0.210 341 L C 2.274 179.241 176.870 0.162 0.000 1.073 341 L CA 2.233 57.195 54.840 0.203 0.000 0.748 341 L CB -0.741 41.464 42.059 0.243 0.000 0.891 341 L HN 0.212 nan 8.230 nan 0.000 0.431 342 S N -1.598 114.117 115.700 0.026 0.000 2.447 342 S HA -0.161 4.281 4.470 -0.046 0.000 0.233 342 S C 2.049 176.691 174.600 0.070 0.000 1.006 342 S CA 1.070 59.275 58.200 0.009 0.000 0.957 342 S CB -1.015 61.903 63.200 -0.470 0.000 0.773 342 S HN 0.715 nan 8.310 nan 0.000 0.507 343 S N 2.066 117.770 115.700 0.008 0.000 2.406 343 S HA 0.094 4.537 4.470 -0.046 0.000 0.224 343 S C 2.043 176.636 174.600 -0.011 0.000 1.030 343 S CA -0.162 58.035 58.200 -0.004 0.000 0.958 343 S CB -0.303 62.873 63.200 -0.040 0.000 0.811 343 S HN 0.399 nan 8.310 nan 0.000 0.489 344 R N 0.888 121.363 120.500 -0.042 0.000 2.090 344 R HA 0.281 4.593 4.340 -0.046 0.000 0.228 344 R C 0.361 176.635 176.300 -0.044 0.000 1.110 344 R CA 0.658 56.679 56.100 -0.133 0.000 0.973 344 R CB -0.774 29.304 30.300 -0.370 0.000 0.869 344 R HN 0.433 nan 8.270 nan 0.000 0.440 345 L N 2.968 124.232 121.223 0.068 0.000 2.488 345 L HA 0.314 4.627 4.340 -0.046 0.000 0.250 345 L C -2.392 174.618 176.870 0.233 0.000 1.280 345 L CA -1.848 53.046 54.840 0.090 0.000 0.929 345 L CB 2.036 44.120 42.059 0.041 0.000 1.200 345 L HN -0.171 nan 8.230 nan 0.000 0.495 346 P HA 0.013 nan 4.420 nan 0.000 0.271 346 P C 0.083 177.550 177.300 0.278 0.000 1.220 346 P CA 0.158 63.420 63.100 0.269 0.000 0.768 346 P CB 1.477 33.269 31.700 0.153 0.000 0.848 347 S N 2.360 118.281 115.700 0.368 0.000 2.560 347 S HA 0.210 4.653 4.470 -0.046 0.000 0.284 347 S C 0.014 174.630 174.600 0.027 0.000 1.327 347 S CA 0.333 58.630 58.200 0.163 0.000 1.055 347 S CB -0.418 62.675 63.200 -0.178 0.000 0.868 347 S HN 0.615 nan 8.310 nan 0.000 0.506 348 T N 1.690 116.220 114.554 -0.042 0.000 2.921 348 T HA 0.410 4.733 4.350 -0.046 0.000 0.297 348 T C -0.489 174.145 174.700 -0.109 0.000 1.013 348 T CA -0.647 61.359 62.100 -0.156 0.000 0.990 348 T CB 1.161 69.930 68.868 -0.166 0.000 1.023 348 T HN 0.748 nan 8.240 nan 0.000 0.447 349 D N 2.186 122.506 120.400 -0.133 0.000 2.402 349 D HA 0.063 4.676 4.640 -0.046 0.000 0.216 349 D C 0.504 176.855 176.300 0.084 0.000 1.128 349 D CA -0.111 53.910 54.000 0.036 0.000 0.833 349 D CB -0.198 40.692 40.800 0.149 0.000 0.971 349 D HN 0.794 nan 8.370 nan 0.000 0.503 350 H N -1.108 118.020 119.070 0.096 0.000 2.511 350 H HA 0.314 4.843 4.556 -0.046 0.000 0.228 350 H C -2.285 173.125 175.328 0.137 0.000 1.424 350 H CA -1.382 54.703 56.048 0.063 0.000 1.321 350 H CB 0.839 30.593 29.762 -0.013 0.000 1.720 350 H HN -0.098 nan 8.280 nan 0.000 0.512 351 P HA -0.107 nan 4.420 nan 0.000 0.225 351 P C 0.973 178.404 177.300 0.220 0.000 1.148 351 P CA 0.471 63.715 63.100 0.239 0.000 0.779 351 P CB 0.272 32.197 31.700 0.375 0.000 0.780 352 S N 0.560 116.398 115.700 0.230 0.000 2.552 352 S HA 0.057 4.500 4.470 -0.046 0.000 0.289 352 S C 1.635 176.340 174.600 0.174 0.000 1.304 352 S CA 0.324 58.641 58.200 0.196 0.000 1.063 352 S CB 0.011 63.367 63.200 0.259 0.000 0.848 352 S HN 0.299 nan 8.310 nan 0.000 0.499 353 T N 1.038 115.659 114.554 0.112 0.000 2.977 353 T HA -0.129 4.193 4.350 -0.046 0.000 0.271 353 T C 0.936 175.689 174.700 0.088 0.000 1.105 353 T CA 1.237 63.388 62.100 0.085 0.000 1.116 353 T CB -0.466 68.417 68.868 0.025 0.000 0.878 353 T HN 0.788 nan 8.240 nan 0.000 0.509 354 D N 0.731 121.195 120.400 0.107 0.000 2.340 354 D HA 0.212 4.824 4.640 -0.046 0.000 0.220 354 D C 1.722 178.069 176.300 0.077 0.000 1.039 354 D CA 0.490 54.546 54.000 0.094 0.000 0.866 354 D CB -0.865 40.005 40.800 0.116 0.000 0.913 354 D HN 0.543 nan 8.370 nan 0.000 0.523 355 G N -0.180 108.683 108.800 0.105 0.000 2.189 355 G HA2 -0.341 3.592 3.960 -0.046 0.000 0.267 355 G HA3 -0.341 3.592 3.960 -0.046 0.000 0.267 355 G C 0.162 175.034 174.900 -0.045 0.000 0.975 355 G CA 0.452 45.562 45.100 0.018 0.000 0.644 355 G HN 0.503 nan 8.290 nan 0.000 0.537 356 Q N -0.339 119.487 119.800 0.044 0.000 2.212 356 Q HA 0.660 4.972 4.340 -0.046 0.000 0.238 356 Q C 0.508 176.484 176.000 -0.041 0.000 0.955 356 Q CA -0.502 55.261 55.803 -0.066 0.000 0.906 356 Q CB 0.970 29.627 28.738 -0.136 0.000 1.215 356 Q HN 0.430 nan 8.270 nan 0.000 0.478 357 R N 0.655 121.003 120.500 -0.253 0.000 2.664 357 R HA 0.524 4.836 4.340 -0.046 0.000 0.286 357 R C -1.219 174.858 176.300 -0.371 0.000 0.967 357 R CA -0.563 55.425 56.100 -0.186 0.000 0.933 357 R CB 1.119 31.202 30.300 -0.360 0.000 1.146 357 R HN 0.515 nan 8.270 nan 0.000 0.468 358 Y N 0.829 121.105 120.300 -0.040 0.000 2.545 358 Y HA 0.243 4.765 4.550 -0.046 0.000 0.348 358 Y C 0.045 175.926 175.900 -0.032 0.000 1.002 358 Y CA -1.174 56.905 58.100 -0.035 0.000 1.039 358 Y CB 1.566 40.002 38.460 -0.040 0.000 1.271 358 Y HN 0.500 nan 8.280 nan 0.000 0.467 359 L N 2.141 123.415 121.223 0.085 0.000 3.601 359 L HA -0.232 4.080 4.340 -0.046 0.000 0.469 359 L C 0.001 176.917 176.870 0.077 0.000 1.294 359 L CA 0.496 55.352 54.840 0.027 0.000 0.829 359 L CB -0.465 41.534 42.059 -0.099 0.000 1.628 359 L HN 0.756 nan 8.230 nan 0.000 0.868 360 E N -0.328 119.915 120.200 0.072 0.000 2.451 360 E HA 0.068 4.391 4.350 -0.046 0.000 0.194 360 E C 1.336 178.013 176.600 0.127 0.000 1.027 360 E CA 0.213 56.692 56.400 0.132 0.000 0.914 360 E CB 0.367 30.128 29.700 0.101 0.000 1.054 360 E HN 0.714 nan 8.360 nan 0.000 0.461 361 Q N 0.214 120.047 119.800 0.055 0.000 2.124 361 Q HA -0.136 4.176 4.340 -0.046 0.000 0.202 361 Q C 2.200 178.128 176.000 -0.120 0.000 0.977 361 Q CA 1.896 57.696 55.803 -0.006 0.000 0.850 361 Q CB -0.254 28.485 28.738 0.001 0.000 0.901 361 Q HN 0.240 nan 8.270 nan 0.000 0.429 362 S N -0.590 115.022 115.700 -0.146 0.000 2.406 362 S HA -0.118 4.325 4.470 -0.046 0.000 0.228 362 S C 1.748 176.177 174.600 -0.285 0.000 1.020 362 S CA 0.518 58.465 58.200 -0.422 0.000 0.965 362 S CB -0.502 62.477 63.200 -0.368 0.000 0.798 362 S HN 0.414 nan 8.310 nan 0.000 0.488 363 F N 3.465 123.317 119.950 -0.164 0.000 2.102 363 F HA -0.049 4.451 4.527 -0.046 0.000 0.298 363 F C 2.365 178.045 175.800 -0.199 0.000 1.105 363 F CA 1.727 59.653 58.000 -0.123 0.000 1.239 363 F CB -0.646 38.382 39.000 0.046 0.000 0.991 363 F HN 0.269 nan 8.300 nan 0.000 0.474 364 N N 0.348 119.111 118.700 0.106 0.000 2.084 364 N HA -0.175 4.537 4.740 -0.046 0.000 0.190 364 N C 1.901 177.246 175.510 -0.275 0.000 1.030 364 N CA 1.914 54.951 53.050 -0.022 0.000 0.849 364 N CB -0.199 38.304 38.487 0.027 0.000 1.012 364 N HN 0.270 nan 8.380 nan 0.000 0.423 365 V N 1.004 120.688 119.914 -0.384 0.000 2.261 365 V HA -0.177 3.916 4.120 -0.046 0.000 0.246 365 V C 2.475 178.270 176.094 -0.498 0.000 1.047 365 V CA 1.273 63.272 62.300 -0.503 0.000 1.015 365 V CB -0.421 31.011 31.823 -0.652 0.000 0.642 365 V HN 0.149 nan 8.190 nan 0.000 0.446 366 V N 0.971 120.545 119.914 -0.565 0.000 2.667 366 V HA -0.171 3.921 4.120 -0.046 0.000 0.252 366 V C 2.665 178.269 176.094 -0.817 0.000 1.065 366 V CA 1.803 63.739 62.300 -0.607 0.000 1.083 366 V CB -0.549 30.965 31.823 -0.515 0.000 0.692 366 V HN 0.770 nan 8.190 nan 0.000 0.468 367 S N -0.068 115.081 115.700 -0.918 0.000 2.382 367 S HA -0.268 4.174 4.470 -0.046 0.000 0.228 367 S C 1.886 176.047 174.600 -0.732 0.000 1.027 367 S CA 1.128 58.632 58.200 -1.159 0.000 0.991 367 S CB -0.384 62.263 63.200 -0.921 0.000 0.823 367 S HN 0.542 nan 8.310 nan 0.000 0.469 368 Q N 0.919 120.432 119.800 -0.477 0.000 2.123 368 Q HA 0.150 4.462 4.340 -0.046 0.000 0.199 368 Q C 2.241 178.054 176.000 -0.312 0.000 0.966 368 Q CA 0.917 56.537 55.803 -0.305 0.000 0.845 368 Q CB -0.936 27.668 28.738 -0.223 0.000 0.907 368 Q HN 0.578 nan 8.270 nan 0.000 0.439 369 L N 0.379 121.367 121.223 -0.390 0.000 2.012 369 L HA -0.144 4.168 4.340 -0.046 0.000 0.210 369 L C 2.071 178.695 176.870 -0.410 0.000 1.073 369 L CA 1.542 56.166 54.840 -0.361 0.000 0.748 369 L CB -0.537 41.274 42.059 -0.413 0.000 0.891 369 L HN 0.139 nan 8.230 nan 0.000 0.431 370 L N -0.912 119.924 121.223 -0.645 0.000 2.093 370 L HA -0.188 4.125 4.340 -0.046 0.000 0.208 370 L C 2.568 179.281 176.870 -0.263 0.000 1.085 370 L CA 1.225 55.618 54.840 -0.745 0.000 0.755 370 L CB -0.575 40.670 42.059 -1.358 0.000 0.904 370 L HN 0.238 nan 8.230 nan 0.000 0.435 371 K N 0.207 120.467 120.400 -0.233 0.000 2.097 371 K HA -0.115 4.178 4.320 -0.046 0.000 0.206 371 K C 2.042 178.653 176.600 0.018 0.000 1.049 371 K CA 1.245 57.531 56.287 -0.001 0.000 0.933 371 K CB -0.414 32.084 32.500 -0.005 0.000 0.717 371 K HN 0.383 nan 8.250 nan 0.000 0.442 372 G N 0.633 109.406 108.800 -0.045 0.000 2.559 372 G HA2 -0.221 3.712 3.960 -0.046 0.000 0.216 372 G HA3 -0.221 3.712 3.960 -0.046 0.000 0.216 372 G C 1.023 175.938 174.900 0.025 0.000 1.126 372 G CA 0.299 45.387 45.100 -0.019 0.000 0.778 372 G HN 0.341 nan 8.290 nan 0.000 0.543 373 Q N -0.844 119.002 119.800 0.077 0.000 2.247 373 Q HA 0.332 4.645 4.340 -0.046 0.000 0.204 373 Q C 1.438 177.597 176.000 0.265 0.000 0.872 373 Q CA 0.207 56.115 55.803 0.176 0.000 0.951 373 Q CB 0.786 29.666 28.738 0.237 0.000 1.099 373 Q HN 0.403 nan 8.270 nan 0.000 0.501 374 G N 0.302 109.227 108.800 0.208 0.000 2.141 374 G HA2 -0.280 3.652 3.960 -0.046 0.000 0.242 374 G HA3 -0.280 3.652 3.960 -0.046 0.000 0.242 374 G C -0.355 174.675 174.900 0.217 0.000 0.982 374 G CA -0.340 44.842 45.100 0.136 0.000 0.662 374 G HN 0.258 nan 8.290 nan 0.000 0.527 375 Y N 0.897 121.314 120.300 0.196 0.000 2.314 375 Y HA 0.547 5.069 4.550 -0.046 0.000 0.334 375 Y C 0.927 176.980 175.900 0.255 0.000 1.266 375 Y CA -0.557 57.707 58.100 0.273 0.000 1.391 375 Y CB 0.684 39.316 38.460 0.287 0.000 1.306 375 Y HN 0.118 nan 8.280 nan 0.000 0.558 376 N N 1.210 120.113 118.700 0.338 0.000 2.269 376 N HA 0.169 4.881 4.740 -0.046 0.000 0.304 376 N C -1.258 174.088 175.510 -0.273 0.000 1.072 376 N CA -0.871 52.238 53.050 0.099 0.000 0.802 376 N CB 1.986 40.496 38.487 0.038 0.000 1.348 376 N HN 0.626 nan 8.380 nan 0.000 0.484 377 Q N 0.709 120.158 119.800 -0.585 0.000 2.340 377 Q HA 0.588 4.901 4.340 -0.046 0.000 0.249 377 Q C -1.142 174.647 176.000 -0.352 0.000 0.957 377 Q CA -0.306 54.938 55.803 -0.931 0.000 0.882 377 Q CB 0.757 29.079 28.738 -0.694 0.000 1.235 377 Q HN 0.740 nan 8.270 nan 0.000 0.439 378 A N 2.174 124.843 122.820 -0.251 0.000 2.609 378 A HA 0.475 4.767 4.320 -0.046 0.000 0.291 378 A C -1.061 176.542 177.584 0.031 0.000 1.096 378 A CA -0.718 51.281 52.037 -0.063 0.000 0.684 378 A CB 1.850 20.838 19.000 -0.019 0.000 1.282 378 A HN 0.628 nan 8.150 nan 0.000 0.412 379 T N 2.238 116.840 114.554 0.080 0.000 2.738 379 T HA 0.274 4.596 4.350 -0.046 0.000 0.294 379 T C 1.537 176.314 174.700 0.128 0.000 0.914 379 T CA 0.147 62.329 62.100 0.138 0.000 1.052 379 T CB -0.449 68.499 68.868 0.134 0.000 0.897 379 T HN 0.429 nan 8.240 nan 0.000 0.522 380 I N 2.723 123.397 120.570 0.174 0.000 2.151 380 I HA -0.220 3.922 4.170 -0.046 0.000 0.243 380 I C 2.206 178.380 176.117 0.095 0.000 1.080 380 I CA 1.110 62.495 61.300 0.142 0.000 1.339 380 I CB -0.116 38.029 38.000 0.242 0.000 1.039 380 I HN 0.520 nan 8.210 nan 0.000 0.409 381 N N 0.506 119.265 118.700 0.099 0.000 2.521 381 N HA -0.110 4.603 4.740 -0.046 0.000 0.188 381 N C 1.028 176.634 175.510 0.159 0.000 1.146 381 N CA 0.692 53.760 53.050 0.029 0.000 0.893 381 N CB -0.264 38.015 38.487 -0.347 0.000 0.975 381 N HN 0.348 nan 8.380 nan 0.000 0.451 382 D N 0.447 120.925 120.400 0.130 0.000 2.224 382 D HA 0.011 4.623 4.640 -0.046 0.000 0.205 382 D C 0.001 176.375 176.300 0.122 0.000 0.965 382 D CA 1.001 55.080 54.000 0.131 0.000 0.852 382 D CB 0.133 40.990 40.800 0.095 0.000 0.947 382 D HN 0.153 nan 8.370 nan 0.000 0.494 383 N N -0.132 118.639 118.700 0.118 0.000 2.725 383 N HA 0.128 4.840 4.740 -0.046 0.000 0.248 383 N C -2.236 173.362 175.510 0.146 0.000 1.402 383 N CA -0.824 52.313 53.050 0.145 0.000 0.766 383 N CB 2.196 40.758 38.487 0.124 0.000 1.223 383 N HN -0.088 nan 8.380 nan 0.000 0.515 384 P HA -0.079 nan 4.420 nan 0.000 0.218 384 P C 0.962 178.217 177.300 -0.076 0.000 1.146 384 P CA 1.160 64.272 63.100 0.019 0.000 0.813 384 P CB 0.420 32.179 31.700 0.098 0.000 0.778 385 N N -2.055 116.623 118.700 -0.037 0.000 2.512 385 N HA -0.082 4.630 4.740 -0.046 0.000 0.183 385 N C -0.245 174.958 175.510 -0.513 0.000 1.073 385 N CA 0.704 53.598 53.050 -0.261 0.000 0.911 385 N CB -0.373 37.944 38.487 -0.284 0.000 0.964 385 N HN 0.306 nan 8.380 nan 0.000 0.447 386 Y N -0.156 120.094 120.300 -0.084 0.000 2.464 386 Y HA 0.329 4.852 4.550 -0.045 0.000 0.326 386 Y C 1.118 176.967 175.900 -0.084 0.000 0.969 386 Y CA -0.515 57.554 58.100 -0.052 0.000 1.270 386 Y CB 1.456 39.905 38.460 -0.018 0.000 1.103 386 Y HN -0.237 nan 8.280 nan 0.000 0.491 387 K N 0.443 120.839 120.400 -0.007 0.000 2.474 387 K HA 0.045 4.338 4.320 -0.046 0.000 0.204 387 K C -0.293 176.470 176.600 0.271 0.000 1.220 387 K CA -0.059 56.218 56.287 -0.016 0.000 0.966 387 K CB 0.597 32.831 32.500 -0.444 0.000 1.049 387 K HN 0.484 nan 8.250 nan 0.000 0.554 388 D N 0.703 121.295 120.400 0.321 0.000 2.417 388 D HA -0.042 4.571 4.640 -0.046 0.000 0.250 388 D C -0.408 176.004 176.300 0.187 0.000 1.166 388 D CA 0.716 54.871 54.000 0.259 0.000 0.881 388 D CB 0.251 41.160 40.800 0.181 0.000 1.164 388 D HN 0.193 nan 8.370 nan 0.000 0.467 389 H N 0.308 119.305 119.070 -0.121 0.000 2.820 389 H HA -0.156 4.373 4.556 -0.046 0.000 0.295 389 H C -0.820 174.516 175.328 0.013 0.000 1.187 389 H CA 0.670 56.425 56.048 -0.489 0.000 1.144 389 H CB -1.310 28.183 29.762 -0.449 0.000 1.354 389 H HN 0.085 nan 8.280 nan 0.000 0.395 390 V N 1.011 121.154 119.914 0.381 0.000 2.628 390 V HA 0.586 4.678 4.120 -0.046 0.000 0.306 390 V C 0.101 176.556 176.094 0.602 0.000 1.045 390 V CA -0.448 62.088 62.300 0.393 0.000 0.905 390 V CB 1.547 33.529 31.823 0.264 0.000 0.997 390 V HN 0.322 nan 8.190 nan 0.000 0.436 391 F N 1.391 121.535 119.950 0.324 0.000 2.603 391 F HA 1.055 5.555 4.527 -0.046 0.000 0.317 391 F C 0.052 175.951 175.800 0.164 0.000 1.066 391 F CA -0.642 57.477 58.000 0.198 0.000 0.941 391 F CB 2.078 41.053 39.000 -0.043 0.000 1.291 391 F HN 0.778 nan 8.300 nan 0.000 0.472 392 G N 0.118 109.104 108.800 0.311 0.000 2.559 392 G HA2 0.406 4.339 3.960 -0.046 0.000 0.291 392 G HA3 0.406 4.339 3.960 -0.046 0.000 0.291 392 G C -2.355 172.808 174.900 0.438 0.000 1.424 392 G CA -1.062 44.194 45.100 0.260 0.000 0.786 392 G HN 0.689 nan 8.290 nan 0.000 0.485 393 Y N 1.043 121.621 120.300 0.462 0.000 2.578 393 Y HA 0.340 4.862 4.550 -0.046 0.000 0.339 393 Y C 1.589 177.657 175.900 0.279 0.000 1.231 393 Y CA 0.423 58.712 58.100 0.314 0.000 1.461 393 Y CB 0.719 39.224 38.460 0.075 0.000 1.323 393 Y HN 0.327 nan 8.280 nan 0.000 0.590 394 S N 1.703 117.632 115.700 0.381 0.000 2.552 394 S HA 0.378 4.821 4.470 -0.046 0.000 0.289 394 S C 0.074 174.485 174.600 -0.315 0.000 1.304 394 S CA -0.359 57.885 58.200 0.073 0.000 1.063 394 S CB 0.109 63.267 63.200 -0.069 0.000 0.848 394 S HN 0.720 nan 8.310 nan 0.000 0.499 395 A N 2.897 125.323 122.820 -0.657 0.000 2.337 395 A HA 0.848 5.141 4.320 -0.046 0.000 0.329 395 A C -0.840 176.037 177.584 -1.179 0.000 1.146 395 A CA -0.599 51.006 52.037 -0.721 0.000 0.800 395 A CB 0.439 19.148 19.000 -0.486 0.000 1.220 395 A HN 0.621 nan 8.150 nan 0.000 0.472 396 F N 0.258 119.936 119.950 -0.453 0.000 2.603 396 F HA 0.376 4.876 4.527 -0.046 0.000 0.317 396 F C -0.001 175.434 175.800 -0.607 0.000 1.066 396 F CA -0.937 56.616 58.000 -0.745 0.000 0.941 396 F CB 1.927 40.033 39.000 -1.490 0.000 1.291 396 F HN 0.589 nan 8.300 nan 0.000 0.472 397 D N 0.833 120.872 120.400 -0.602 0.000 2.943 397 D HA 0.169 4.782 4.640 -0.046 0.000 0.249 397 D C -0.743 175.476 176.300 -0.134 0.000 1.231 397 D CA 0.016 53.651 54.000 -0.608 0.000 0.979 397 D CB -0.586 39.519 40.800 -1.158 0.000 1.053 397 D HN -0.036 nan 8.370 nan 0.000 0.504 398 F N 0.141 120.063 119.950 -0.047 0.000 2.440 398 F HA 0.562 5.062 4.527 -0.046 0.000 0.328 398 F C 0.501 176.291 175.800 -0.016 0.000 1.070 398 F CA -1.588 56.395 58.000 -0.029 0.000 1.011 398 F CB 1.246 40.233 39.000 -0.022 0.000 1.226 398 F HN -0.044 nan 8.300 nan 0.000 0.491 399 L N 1.001 122.340 121.223 0.194 0.000 2.431 399 L HA 0.364 4.676 4.340 -0.046 0.000 0.266 399 L C -0.150 176.761 176.870 0.068 0.000 0.978 399 L CA -0.927 53.973 54.840 0.101 0.000 0.822 399 L CB 1.849 43.944 42.059 0.060 0.000 1.310 399 L HN 0.683 nan 8.230 nan 0.000 0.409 400 N N 1.764 120.499 118.700 0.058 0.000 2.725 400 N HA -0.222 4.490 4.740 -0.046 0.000 0.249 400 N C 0.849 176.364 175.510 0.009 0.000 1.103 400 N CA 0.632 53.697 53.050 0.025 0.000 0.707 400 N CB -0.689 37.799 38.487 0.003 0.000 1.043 400 N HN 1.161 nan 8.380 nan 0.000 0.553 401 G N -1.037 107.792 108.800 0.049 0.000 2.148 401 G HA2 -0.363 3.569 3.960 -0.046 0.000 0.254 401 G HA3 -0.363 3.569 3.960 -0.046 0.000 0.254 401 G C -0.079 174.830 174.900 0.016 0.000 0.981 401 G CA 1.027 46.163 45.100 0.059 0.000 0.670 401 G HN 0.517 nan 8.290 nan 0.000 0.528 402 K N -0.813 119.539 120.400 -0.080 0.000 2.400 402 K HA 0.584 4.876 4.320 -0.046 0.000 0.246 402 K C 0.454 176.846 176.600 -0.347 0.000 0.995 402 K CA -1.132 55.058 56.287 -0.163 0.000 0.840 402 K CB 1.789 34.265 32.500 -0.040 0.000 1.293 402 K HN 0.183 nan 8.250 nan 0.000 0.445 403 R N 0.515 120.772 120.500 -0.405 0.000 2.638 403 R HA 0.026 4.338 4.340 -0.046 0.000 0.268 403 R C -0.261 176.059 176.300 0.033 0.000 1.006 403 R CA 0.788 56.774 56.100 -0.190 0.000 1.088 403 R CB 0.470 30.732 30.300 -0.063 0.000 0.950 403 R HN 0.847 nan 8.270 nan 0.000 0.419 404 A N 3.070 125.987 122.820 0.161 0.000 1.795 404 A HA 0.555 4.848 4.320 -0.046 0.000 0.182 404 A C 0.727 178.363 177.584 0.086 0.000 2.073 404 A CA 0.473 52.571 52.037 0.102 0.000 1.402 404 A CB -0.704 18.356 19.000 0.099 0.000 0.977 404 A HN 1.078 nan 8.150 nan 0.000 0.648 405 G N -0.481 108.354 108.800 0.057 0.000 2.692 405 G HA2 -0.149 3.784 3.960 -0.046 0.000 0.248 405 G HA3 -0.149 3.784 3.960 -0.046 0.000 0.248 405 G C -1.519 173.444 174.900 0.104 0.000 1.340 405 G CA 0.117 45.246 45.100 0.048 0.000 0.896 405 G HN 0.413 nan 8.290 nan 0.000 0.570 406 P HA -0.022 nan 4.420 nan 0.000 0.218 406 P C 2.068 179.439 177.300 0.118 0.000 1.148 406 P CA 1.472 64.690 63.100 0.197 0.000 0.822 406 P CB -0.015 31.714 31.700 0.047 0.000 0.784 407 V N 0.061 120.017 119.914 0.070 0.000 2.407 407 V HA -0.215 3.877 4.120 -0.046 0.000 0.248 407 V C 2.294 178.415 176.094 0.046 0.000 1.055 407 V CA 2.276 64.604 62.300 0.047 0.000 1.049 407 V CB -1.543 30.311 31.823 0.052 0.000 0.662 407 V HN 0.121 nan 8.190 nan 0.000 0.455 408 A N -0.581 122.270 122.820 0.051 0.000 2.208 408 A HA 0.052 4.345 4.320 -0.046 0.000 0.209 408 A C 1.968 179.557 177.584 0.008 0.000 1.161 408 A CA 1.521 53.578 52.037 0.033 0.000 0.782 408 A CB -0.315 18.706 19.000 0.036 0.000 0.816 408 A HN 0.650 nan 8.150 nan 0.000 0.477 409 T N -4.816 109.744 114.554 0.010 0.000 3.216 409 T HA 0.138 4.461 4.350 -0.046 0.000 0.167 409 T C 1.523 176.174 174.700 -0.083 0.000 0.905 409 T CA 0.552 62.609 62.100 -0.072 0.000 1.042 409 T CB -0.625 68.163 68.868 -0.133 0.000 1.787 409 T HN 0.099 nan 8.240 nan 0.000 0.355 410 Y N 1.671 121.930 120.300 -0.068 0.000 2.102 410 Y HA -0.062 4.461 4.550 -0.045 0.000 0.280 410 Y C 2.585 178.383 175.900 -0.170 0.000 1.178 410 Y CA 1.454 59.487 58.100 -0.111 0.000 1.146 410 Y CB -0.683 37.716 38.460 -0.102 0.000 0.968 410 Y HN 0.204 nan 8.280 nan 0.000 0.504 411 L N -0.029 121.202 121.223 0.014 0.000 2.083 411 L HA -0.207 4.105 4.340 -0.046 0.000 0.209 411 L C 2.098 178.910 176.870 -0.097 0.000 1.083 411 L CA 1.713 56.483 54.840 -0.116 0.000 0.752 411 L CB -0.622 41.374 42.059 -0.106 0.000 0.899 411 L HN 0.181 nan 8.230 nan 0.000 0.433 412 Q N -0.739 119.035 119.800 -0.045 0.000 2.123 412 Q HA -0.113 4.200 4.340 -0.046 0.000 0.199 412 Q C 2.212 178.185 176.000 -0.046 0.000 0.966 412 Q CA 1.984 57.774 55.803 -0.023 0.000 0.845 412 Q CB -0.901 27.830 28.738 -0.011 0.000 0.907 412 Q HN 0.732 nan 8.270 nan 0.000 0.439 413 T N -0.958 113.547 114.554 -0.082 0.000 2.821 413 T HA 0.041 4.364 4.350 -0.046 0.000 0.267 413 T C 2.006 176.632 174.700 -0.124 0.000 1.046 413 T CA 1.180 63.226 62.100 -0.091 0.000 1.139 413 T CB -0.238 68.566 68.868 -0.107 0.000 0.871 413 T HN 0.227 nan 8.240 nan 0.000 0.454 414 A N 1.732 124.409 122.820 -0.237 0.000 1.898 414 A HA 0.206 4.499 4.320 -0.046 0.000 0.216 414 A C 2.395 179.855 177.584 -0.207 0.000 1.181 414 A CA 1.108 52.859 52.037 -0.476 0.000 0.620 414 A CB -0.955 17.401 19.000 -1.074 0.000 0.819 414 A HN 0.510 nan 8.150 nan 0.000 0.442 415 L N -0.665 120.556 121.223 -0.004 0.000 2.265 415 L HA -0.181 4.132 4.340 -0.046 0.000 0.215 415 L C 2.845 179.827 176.870 0.186 0.000 1.117 415 L CA 0.777 55.780 54.840 0.271 0.000 0.782 415 L CB -0.344 41.839 42.059 0.206 0.000 0.914 415 L HN 0.451 nan 8.230 nan 0.000 0.441 416 A N -0.274 122.599 122.820 0.087 0.000 2.168 416 A HA -0.040 4.252 4.320 -0.046 0.000 0.215 416 A C 1.089 178.720 177.584 0.079 0.000 1.152 416 A CA 0.455 52.532 52.037 0.066 0.000 0.716 416 A CB -0.259 18.757 19.000 0.027 0.000 0.794 416 A HN 0.284 nan 8.150 nan 0.000 0.465 417 R N 0.024 120.589 120.500 0.108 0.000 2.368 417 R HA 0.275 4.588 4.340 -0.046 0.000 0.302 417 R C -1.821 174.573 176.300 0.155 0.000 1.002 417 R CA -1.811 54.358 56.100 0.114 0.000 0.929 417 R CB 0.766 31.126 30.300 0.099 0.000 1.073 417 R HN 0.114 nan 8.270 nan 0.000 0.464 418 P HA -0.133 nan 4.420 nan 0.000 0.223 418 P C 0.033 177.405 177.300 0.121 0.000 1.151 418 P CA 1.119 64.280 63.100 0.102 0.000 0.787 418 P CB 0.214 31.955 31.700 0.068 0.000 0.788 419 N N -0.931 117.856 118.700 0.145 0.000 2.322 419 N HA -0.022 4.690 4.740 -0.046 0.000 0.194 419 N C -0.248 175.416 175.510 0.257 0.000 1.126 419 N CA -0.231 52.918 53.050 0.164 0.000 0.845 419 N CB -0.338 38.231 38.487 0.137 0.000 0.976 419 N HN 0.115 nan 8.380 nan 0.000 0.475 420 F N 1.618 121.623 119.950 0.093 0.000 2.469 420 F HA 0.516 5.015 4.527 -0.046 0.000 0.332 420 F C -0.739 175.129 175.800 0.114 0.000 1.103 420 F CA -0.561 57.495 58.000 0.093 0.000 0.979 420 F CB 1.902 40.933 39.000 0.051 0.000 1.137 420 F HN -0.254 nan 8.300 nan 0.000 0.463 421 T N 7.040 121.171 114.554 -0.706 0.000 2.848 421 T HA 0.437 4.759 4.350 -0.046 0.000 0.285 421 T C -1.846 172.370 174.700 -0.806 0.000 0.995 421 T CA -0.330 61.449 62.100 -0.535 0.000 0.970 421 T CB 1.051 69.816 68.868 -0.171 0.000 0.976 421 T HN 0.399 nan 8.240 nan 0.000 0.441 422 F N 3.893 123.441 119.950 -0.670 0.000 2.477 422 F HA 0.624 5.123 4.527 -0.046 0.000 0.335 422 F C -0.907 174.768 175.800 -0.209 0.000 1.130 422 F CA -1.505 56.240 58.000 -0.425 0.000 0.948 422 F CB 1.153 40.029 39.000 -0.207 0.000 1.154 422 F HN 0.181 nan 8.300 nan 0.000 0.439 423 K N 4.857 125.050 120.400 -0.346 0.000 2.413 423 K HA 0.365 4.658 4.320 -0.046 0.000 0.257 423 K C -0.290 176.018 176.600 -0.487 0.000 0.946 423 K CA -0.485 55.569 56.287 -0.390 0.000 0.823 423 K CB 1.725 34.097 32.500 -0.213 0.000 1.109 423 K HN 0.773 nan 8.250 nan 0.000 0.427 424 T N -1.627 112.620 114.554 -0.511 0.000 2.912 424 T HA 0.253 4.576 4.350 -0.046 0.000 0.280 424 T C 0.643 175.231 174.700 -0.187 0.000 0.989 424 T CA -0.663 61.221 62.100 -0.360 0.000 0.995 424 T CB 0.966 69.617 68.868 -0.362 0.000 1.077 424 T HN 0.761 nan 8.240 nan 0.000 0.531 425 N N -0.715 117.915 118.700 -0.117 0.000 2.735 425 N HA -0.151 4.561 4.740 -0.046 0.000 0.248 425 N C -1.156 174.316 175.510 -0.063 0.000 1.083 425 N CA 0.040 53.047 53.050 -0.073 0.000 0.703 425 N CB -0.834 37.609 38.487 -0.073 0.000 1.005 425 N HN 0.517 nan 8.380 nan 0.000 0.550 426 V N 2.100 121.977 119.914 -0.062 0.000 2.407 426 V HA 0.402 4.494 4.120 -0.046 0.000 0.291 426 V C 0.277 176.358 176.094 -0.020 0.000 1.018 426 V CA -0.410 61.862 62.300 -0.046 0.000 0.842 426 V CB 1.562 33.346 31.823 -0.064 0.000 0.996 426 V HN 0.249 nan 8.190 nan 0.000 0.426 427 M N 5.227 124.822 119.600 -0.008 0.000 2.180 427 M HA 0.571 5.023 4.480 -0.046 0.000 0.350 427 M C -1.050 175.255 176.300 0.010 0.000 1.125 427 M CA -0.475 54.829 55.300 0.006 0.000 1.031 427 M CB 1.553 34.159 32.600 0.010 0.000 1.623 427 M HN 0.452 nan 8.290 nan 0.000 0.451 428 V N 4.578 124.500 119.914 0.014 0.000 2.432 428 V HA 0.198 4.291 4.120 -0.046 0.000 0.275 428 V C 0.802 176.909 176.094 0.022 0.000 1.043 428 V CA 0.056 62.367 62.300 0.019 0.000 0.925 428 V CB 1.270 33.104 31.823 0.019 0.000 0.985 428 V HN 1.103 nan 8.190 nan 0.000 0.466 429 S N 3.640 119.357 115.700 0.029 0.000 2.421 429 S HA 0.105 4.548 4.470 -0.046 0.000 0.224 429 S C 0.571 175.185 174.600 0.024 0.000 1.035 429 S CA 0.207 58.422 58.200 0.026 0.000 0.953 429 S CB -0.027 63.192 63.200 0.031 0.000 0.810 429 S HN 0.883 nan 8.310 nan 0.000 0.497 430 N N 0.332 119.054 118.700 0.036 0.000 2.961 430 N HA 0.339 5.051 4.740 -0.046 0.000 0.245 430 N C -1.151 174.394 175.510 0.058 0.000 1.404 430 N CA -0.574 52.498 53.050 0.035 0.000 0.880 430 N CB 1.815 40.324 38.487 0.037 0.000 1.461 430 N HN 0.214 nan 8.380 nan 0.000 0.510 431 V N -1.602 118.346 119.914 0.056 0.000 2.785 431 V HA 0.626 4.719 4.120 -0.046 0.000 0.300 431 V C -0.001 176.155 176.094 0.104 0.000 1.062 431 V CA -0.566 61.785 62.300 0.085 0.000 1.029 431 V CB 1.181 33.045 31.823 0.068 0.000 1.024 431 V HN 0.426 nan 8.190 nan 0.000 0.477 432 V N 6.080 126.088 119.914 0.158 0.000 2.394 432 V HA 0.668 4.761 4.120 -0.046 0.000 0.282 432 V C 0.335 176.500 176.094 0.119 0.000 1.031 432 V CA -0.424 61.959 62.300 0.138 0.000 0.881 432 V CB 0.963 32.896 31.823 0.183 0.000 0.982 432 V HN 1.200 nan 8.190 nan 0.000 0.451 433 R N 2.785 123.331 120.500 0.076 0.000 2.740 433 R HA 0.584 4.897 4.340 -0.046 0.000 0.273 433 R C -1.215 175.116 176.300 0.051 0.000 0.998 433 R CA -0.891 55.251 56.100 0.069 0.000 0.900 433 R CB 1.778 32.119 30.300 0.068 0.000 1.223 433 R HN 0.477 nan 8.270 nan 0.000 0.466 434 N N 0.897 119.624 118.700 0.047 0.000 2.626 434 N HA 0.275 4.988 4.740 -0.046 0.000 0.249 434 N C 0.333 175.867 175.510 0.041 0.000 1.021 434 N CA 0.969 54.041 53.050 0.036 0.000 0.886 434 N CB 1.189 39.691 38.487 0.026 0.000 1.149 434 N HN 0.995 nan 8.380 nan 0.000 0.517 435 G N 2.652 111.481 108.800 0.048 0.000 2.622 435 G HA2 -0.381 3.551 3.960 -0.046 0.000 0.307 435 G HA3 -0.381 3.551 3.960 -0.046 0.000 0.307 435 G C 0.953 175.883 174.900 0.050 0.000 1.226 435 G CA 0.838 45.968 45.100 0.050 0.000 0.997 435 G HN 1.011 nan 8.290 nan 0.000 0.551 436 S N -0.248 115.477 115.700 0.042 0.000 2.555 436 S HA 0.229 4.672 4.470 -0.046 0.000 0.230 436 S C 1.057 175.676 174.600 0.032 0.000 0.978 436 S CA 1.829 60.050 58.200 0.036 0.000 0.934 436 S CB 0.300 63.519 63.200 0.031 0.000 0.766 436 S HN 0.912 nan 8.310 nan 0.000 0.533 437 Q N 1.279 121.102 119.800 0.039 0.000 2.360 437 Q HA 0.543 4.856 4.340 -0.046 0.000 0.254 437 Q C -1.231 174.803 176.000 0.057 0.000 0.975 437 Q CA -0.633 55.197 55.803 0.045 0.000 0.912 437 Q CB 0.430 29.195 28.738 0.044 0.000 1.212 437 Q HN 0.312 nan 8.270 nan 0.000 0.452 438 I N 5.227 125.834 120.570 0.062 0.000 2.471 438 I HA -0.008 4.135 4.170 -0.046 0.000 0.286 438 I C 0.696 176.879 176.117 0.109 0.000 1.079 438 I CA 0.494 61.844 61.300 0.084 0.000 1.398 438 I CB 0.867 38.914 38.000 0.078 0.000 1.403 438 I HN 0.791 nan 8.210 nan 0.000 0.530 439 L N 5.265 126.581 121.223 0.155 0.000 2.416 439 L HA 0.437 4.750 4.340 -0.046 0.000 0.216 439 L C 1.106 178.160 176.870 0.308 0.000 1.098 439 L CA 0.303 55.278 54.840 0.226 0.000 0.840 439 L CB -0.461 41.739 42.059 0.236 0.000 0.981 439 L HN 0.869 nan 8.230 nan 0.000 0.462 440 G N -0.281 108.683 108.800 0.274 0.000 2.351 440 G HA2 0.291 4.224 3.960 -0.046 0.000 0.279 440 G HA3 0.291 4.224 3.960 -0.046 0.000 0.279 440 G C -1.650 173.336 174.900 0.144 0.000 1.297 440 G CA -0.092 45.077 45.100 0.114 0.000 0.886 440 G HN -0.099 nan 8.290 nan 0.000 0.493 441 V N -2.454 117.460 119.914 -0.001 0.000 2.864 441 V HA 0.880 4.973 4.120 -0.046 0.000 0.314 441 V C -0.433 175.738 176.094 0.127 0.000 1.073 441 V CA -0.889 61.453 62.300 0.069 0.000 0.956 441 V CB 1.712 33.542 31.823 0.012 0.000 1.023 441 V HN 1.051 nan 8.190 nan 0.000 0.435 442 Q N 2.445 122.336 119.800 0.152 0.000 2.290 442 Q HA 0.714 5.027 4.340 -0.046 0.000 0.259 442 Q C -0.206 175.841 176.000 0.079 0.000 0.941 442 Q CA 0.269 56.169 55.803 0.160 0.000 0.912 442 Q CB 1.520 30.348 28.738 0.149 0.000 1.244 442 Q HN 1.289 nan 8.270 nan 0.000 0.441 443 T N 0.100 114.692 114.554 0.064 0.000 2.858 443 T HA 0.468 4.791 4.350 -0.046 0.000 0.285 443 T C 0.339 175.058 174.700 0.032 0.000 1.052 443 T CA -0.572 61.547 62.100 0.031 0.000 1.009 443 T CB 0.709 69.579 68.868 0.005 0.000 1.241 443 T HN 0.642 nan 8.240 nan 0.000 0.542 444 N N -0.290 118.420 118.700 0.016 0.000 2.276 444 N HA 0.120 4.833 4.740 -0.046 0.000 0.212 444 N C -0.654 174.860 175.510 0.006 0.000 1.127 444 N CA -0.290 52.768 53.050 0.013 0.000 0.834 444 N CB 0.100 38.592 38.487 0.008 0.000 1.014 444 N HN 0.638 nan 8.380 nan 0.000 0.491 445 D N 1.449 121.851 120.400 0.004 0.000 2.464 445 D HA 0.235 4.848 4.640 -0.046 0.000 0.243 445 D C -1.873 174.432 176.300 0.008 0.000 1.104 445 D CA -1.843 52.154 54.000 -0.004 0.000 0.883 445 D CB 2.038 42.825 40.800 -0.020 0.000 1.050 445 D HN 0.036 nan 8.370 nan 0.000 0.524 446 P HA -0.056 nan 4.420 nan 0.000 0.242 446 P C 0.956 178.267 177.300 0.019 0.000 1.197 446 P CA 0.602 63.716 63.100 0.023 0.000 0.765 446 P CB 0.059 31.771 31.700 0.021 0.000 0.936 447 T N -4.107 110.452 114.554 0.009 0.000 3.081 447 T HA 0.170 4.492 4.350 -0.046 0.000 0.250 447 T C 1.616 176.322 174.700 0.009 0.000 1.100 447 T CA 0.081 62.185 62.100 0.007 0.000 1.038 447 T CB -0.671 68.195 68.868 -0.002 0.000 0.962 447 T HN 0.043 nan 8.240 nan 0.000 0.516 448 L N 0.365 121.592 121.223 0.008 0.000 2.554 448 L HA 0.523 4.835 4.340 -0.046 0.000 0.225 448 L C 1.307 178.190 176.870 0.022 0.000 1.104 448 L CA 0.052 54.899 54.840 0.012 0.000 0.866 448 L CB 0.145 42.197 42.059 -0.012 0.000 1.047 448 L HN 0.574 nan 8.230 nan 0.000 0.468 449 G N -0.702 108.115 108.800 0.029 0.000 2.349 449 G HA2 0.230 4.162 3.960 -0.046 0.000 0.294 449 G HA3 0.230 4.162 3.960 -0.046 0.000 0.294 449 G C -3.060 171.892 174.900 0.087 0.000 1.380 449 G CA -0.703 44.426 45.100 0.049 0.000 0.811 449 G HN -0.364 nan 8.290 nan 0.000 0.519 450 P HA 0.059 nan 4.420 nan 0.000 0.261 450 P C 0.443 177.825 177.300 0.136 0.000 1.203 450 P CA 0.724 63.900 63.100 0.127 0.000 0.767 450 P CB 0.240 32.024 31.700 0.140 0.000 0.785 451 N N 2.923 121.676 118.700 0.087 0.000 2.693 451 N HA -0.272 4.441 4.740 -0.046 0.000 0.249 451 N C 0.877 176.445 175.510 0.096 0.000 1.119 451 N CA 0.686 53.781 53.050 0.075 0.000 0.717 451 N CB -1.139 37.387 38.487 0.065 0.000 1.071 451 N HN 0.818 nan 8.380 nan 0.000 0.555 452 G N -0.954 107.905 108.800 0.099 0.000 2.175 452 G HA2 -0.325 3.608 3.960 -0.046 0.000 0.244 452 G HA3 -0.325 3.608 3.960 -0.046 0.000 0.244 452 G C -0.059 174.913 174.900 0.120 0.000 0.982 452 G CA 0.192 45.343 45.100 0.085 0.000 0.641 452 G HN 0.513 nan 8.290 nan 0.000 0.527 453 F N 2.216 122.182 119.950 0.026 0.000 2.427 453 F HA 0.692 5.191 4.527 -0.046 0.000 0.352 453 F C 0.258 176.086 175.800 0.046 0.000 1.100 453 F CA -1.338 56.682 58.000 0.033 0.000 1.191 453 F CB 0.426 39.444 39.000 0.031 0.000 1.128 453 F HN 0.074 nan 8.300 nan 0.000 0.533 454 I N 8.801 128.867 120.570 -0.839 0.000 2.410 454 I HA 0.333 4.476 4.170 -0.046 0.000 0.286 454 I C -2.395 173.166 176.117 -0.926 0.000 1.009 454 I CA -2.079 58.826 61.300 -0.660 0.000 1.111 454 I CB 1.802 39.659 38.000 -0.239 0.000 1.262 454 I HN 0.430 nan 8.210 nan 0.000 0.443 455 P HA 0.242 nan 4.420 nan 0.000 0.279 455 P C -0.468 176.788 177.300 -0.073 0.000 1.252 455 P CA -0.333 62.554 63.100 -0.355 0.000 0.811 455 P CB 1.786 33.449 31.700 -0.062 0.000 1.035 456 V N -1.314 118.603 119.914 0.005 0.000 2.997 456 V HA 0.553 4.645 4.120 -0.046 0.000 0.311 456 V C 0.713 176.818 176.094 0.019 0.000 1.066 456 V CA -0.568 61.750 62.300 0.030 0.000 1.039 456 V CB 0.201 32.037 31.823 0.023 0.000 1.081 456 V HN 0.738 nan 8.190 nan 0.000 0.467 457 T N -0.154 114.397 114.554 -0.005 0.000 2.802 457 T HA 0.275 4.597 4.350 -0.046 0.000 0.305 457 T C -1.556 173.142 174.700 -0.003 0.000 1.053 457 T CA -0.591 61.501 62.100 -0.014 0.000 1.058 457 T CB 0.291 69.140 68.868 -0.031 0.000 0.988 457 T HN 0.621 nan 8.240 nan 0.000 0.539 458 P HA -0.099 nan 4.420 nan 0.000 0.216 458 P C 1.018 178.324 177.300 0.009 0.000 1.157 458 P CA 1.453 64.561 63.100 0.014 0.000 0.880 458 P CB 0.040 31.748 31.700 0.013 0.000 0.791 459 K N -0.959 119.437 120.400 -0.006 0.000 2.387 459 K HA 0.204 4.497 4.320 -0.046 0.000 0.198 459 K C 1.230 177.799 176.600 -0.052 0.000 1.022 459 K CA -0.219 56.062 56.287 -0.009 0.000 1.128 459 K CB 0.030 32.526 32.500 -0.006 0.000 0.853 459 K HN 0.113 nan 8.250 nan 0.000 0.523 460 G N 1.293 110.049 108.800 -0.073 0.000 2.667 460 G HA2 0.154 4.086 3.960 -0.046 0.000 0.250 460 G HA3 0.154 4.086 3.960 -0.046 0.000 0.250 460 G C -0.421 174.404 174.900 -0.125 0.000 1.212 460 G CA -0.343 44.660 45.100 -0.162 0.000 0.874 460 G HN 0.189 nan 8.290 nan 0.000 0.561 461 R N -1.160 119.201 120.500 -0.231 0.000 2.725 461 R HA 0.518 4.830 4.340 -0.046 0.000 0.277 461 R C -1.378 174.977 176.300 0.092 0.000 0.987 461 R CA -0.817 55.277 56.100 -0.010 0.000 0.901 461 R CB 2.692 32.954 30.300 -0.064 0.000 1.207 461 R HN 0.339 nan 8.270 nan 0.000 0.463 462 V N 3.739 123.781 119.914 0.213 0.000 2.459 462 V HA 0.478 4.570 4.120 -0.046 0.000 0.295 462 V C -0.171 176.092 176.094 0.283 0.000 1.029 462 V CA -0.602 61.817 62.300 0.198 0.000 0.874 462 V CB 1.697 33.599 31.823 0.131 0.000 0.985 462 V HN 0.564 nan 8.190 nan 0.000 0.438 463 I N 5.613 126.324 120.570 0.236 0.000 2.362 463 I HA 0.411 4.554 4.170 -0.046 0.000 0.289 463 I C -0.526 175.672 176.117 0.135 0.000 0.994 463 I CA -0.440 60.991 61.300 0.218 0.000 1.158 463 I CB 1.613 39.717 38.000 0.173 0.000 1.315 463 I HN 0.335 nan 8.210 nan 0.000 0.451 464 L N 5.860 127.150 121.223 0.113 0.000 2.276 464 L HA 0.387 4.699 4.340 -0.046 0.000 0.286 464 L C 0.297 177.203 176.870 0.060 0.000 1.061 464 L CA 0.016 54.895 54.840 0.065 0.000 0.807 464 L CB 1.183 43.260 42.059 0.031 0.000 1.177 464 L HN 0.609 nan 8.230 nan 0.000 0.429 465 S N 1.761 117.494 115.700 0.055 0.000 2.825 465 S HA 0.240 4.682 4.470 -0.046 0.000 0.242 465 S C 0.750 175.385 174.600 0.059 0.000 0.980 465 S CA -0.221 58.013 58.200 0.056 0.000 1.107 465 S CB 1.140 64.373 63.200 0.055 0.000 1.172 465 S HN 0.722 nan 8.310 nan 0.000 0.483 466 A N 1.248 124.097 122.820 0.047 0.000 2.379 466 A HA 0.683 4.976 4.320 -0.046 0.000 0.236 466 A C 1.177 178.802 177.584 0.069 0.000 1.272 466 A CA 0.249 52.318 52.037 0.054 0.000 0.886 466 A CB -0.542 18.477 19.000 0.033 0.000 0.962 466 A HN 1.111 nan 8.150 nan 0.000 0.504 467 G N -2.134 106.708 108.800 0.071 0.000 2.756 467 G HA2 0.211 4.144 3.960 -0.046 0.000 0.678 467 G HA3 0.211 4.144 3.960 -0.046 0.000 0.678 467 G C 0.887 175.811 174.900 0.040 0.000 1.349 467 G CA -0.224 44.935 45.100 0.099 0.000 0.847 467 G HN 1.339 nan 8.290 nan 0.000 0.548 468 A N -0.486 122.356 122.820 0.035 0.000 1.873 468 A HA 0.163 4.455 4.320 -0.046 0.000 0.218 468 A C 2.198 179.582 177.584 -0.334 0.000 1.193 468 A CA 2.761 54.691 52.037 -0.178 0.000 0.629 468 A CB -0.469 18.378 19.000 -0.255 0.000 0.826 468 A HN 1.078 nan 8.150 nan 0.000 0.447 469 F N -0.178 119.686 119.950 -0.143 0.000 2.234 469 F HA 0.127 4.627 4.527 -0.046 0.000 0.296 469 F C 2.665 178.389 175.800 -0.126 0.000 1.089 469 F CA 0.794 58.696 58.000 -0.163 0.000 1.343 469 F CB -0.828 38.067 39.000 -0.175 0.000 1.040 469 F HN 0.276 nan 8.300 nan 0.000 0.498 470 G N -0.667 108.192 108.800 0.098 0.000 2.402 470 G HA2 -0.184 3.748 3.960 -0.046 0.000 0.216 470 G HA3 -0.184 3.748 3.960 -0.046 0.000 0.216 470 G C 1.719 176.591 174.900 -0.047 0.000 1.162 470 G CA 1.455 46.576 45.100 0.035 0.000 0.777 470 G HN 0.263 nan 8.290 nan 0.000 0.539 471 T N 1.109 115.621 114.554 -0.071 0.000 2.777 471 T HA -0.083 4.239 4.350 -0.046 0.000 0.266 471 T C 2.853 177.406 174.700 -0.246 0.000 1.040 471 T CA 1.502 63.532 62.100 -0.117 0.000 1.141 471 T CB -0.270 68.545 68.868 -0.089 0.000 0.868 471 T HN 0.238 nan 8.240 nan 0.000 0.444 472 S N 0.750 116.245 115.700 -0.341 0.000 2.359 472 S HA -0.125 4.317 4.470 -0.046 0.000 0.224 472 S C 2.101 176.095 174.600 -1.011 0.000 1.035 472 S CA 1.269 59.058 58.200 -0.685 0.000 1.018 472 S CB -0.251 62.580 63.200 -0.616 0.000 0.876 472 S HN 0.447 nan 8.310 nan 0.000 0.448 473 R N 0.927 121.123 120.500 -0.507 0.000 2.083 473 R HA -0.055 4.257 4.340 -0.046 0.000 0.237 473 R C 2.165 178.348 176.300 -0.194 0.000 1.137 473 R CA 1.529 57.474 56.100 -0.258 0.000 0.951 473 R CB -0.466 29.810 30.300 -0.041 0.000 0.851 473 R HN 0.372 nan 8.270 nan 0.000 0.434 474 I N 0.874 121.346 120.570 -0.164 0.000 2.151 474 I HA -0.350 3.792 4.170 -0.046 0.000 0.243 474 I C 2.275 178.322 176.117 -0.117 0.000 1.080 474 I CA 1.418 62.660 61.300 -0.096 0.000 1.339 474 I CB -0.271 37.691 38.000 -0.063 0.000 1.039 474 I HN 0.268 nan 8.210 nan 0.000 0.409 475 L N -0.466 120.628 121.223 -0.215 0.000 2.017 475 L HA -0.237 4.076 4.340 -0.046 0.000 0.208 475 L C 2.585 179.400 176.870 -0.091 0.000 1.073 475 L CA 1.396 56.130 54.840 -0.176 0.000 0.745 475 L CB -0.670 41.246 42.059 -0.238 0.000 0.894 475 L HN 0.124 nan 8.230 nan 0.000 0.432 476 F N 0.321 120.209 119.950 -0.104 0.000 2.126 476 F HA -0.249 4.252 4.527 -0.044 0.000 0.299 476 F C 2.647 178.341 175.800 -0.177 0.000 1.096 476 F CA 1.069 58.975 58.000 -0.156 0.000 1.255 476 F CB -1.174 37.744 39.000 -0.136 0.000 0.997 476 F HN 0.165 nan 8.300 nan 0.000 0.479 477 Q N -0.703 119.128 119.800 0.052 0.000 2.488 477 Q HA -0.039 4.273 4.340 -0.046 0.000 0.211 477 Q C 1.337 177.324 176.000 -0.020 0.000 0.967 477 Q CA 1.031 56.835 55.803 0.003 0.000 0.926 477 Q CB -0.215 28.533 28.738 0.016 0.000 0.992 477 Q HN 0.251 nan 8.270 nan 0.000 0.506 478 S N -0.750 114.933 115.700 -0.029 0.000 2.568 478 S HA 0.243 4.685 4.470 -0.046 0.000 0.232 478 S C 0.813 175.386 174.600 -0.045 0.000 0.975 478 S CA 0.277 58.468 58.200 -0.015 0.000 0.949 478 S CB 1.082 64.282 63.200 0.000 0.000 0.829 478 S HN 0.553 nan 8.310 nan 0.000 0.479 479 G N 2.114 110.813 108.800 -0.168 0.000 2.198 479 G HA2 -0.243 3.689 3.960 -0.046 0.000 0.257 479 G HA3 -0.243 3.689 3.960 -0.046 0.000 0.257 479 G C -0.173 174.640 174.900 -0.146 0.000 1.042 479 G CA -0.052 44.835 45.100 -0.355 0.000 0.791 479 G HN 0.542 nan 8.290 nan 0.000 0.502 480 I N 0.069 120.599 120.570 -0.065 0.000 2.468 480 I HA 0.683 4.825 4.170 -0.046 0.000 0.285 480 I C 0.622 176.787 176.117 0.081 0.000 1.039 480 I CA -0.041 61.269 61.300 0.017 0.000 1.074 480 I CB 1.688 39.695 38.000 0.013 0.000 1.228 480 I HN 0.708 nan 8.210 nan 0.000 0.436 481 G N 6.464 115.320 108.800 0.093 0.000 2.357 481 G HA2 0.099 4.032 3.960 -0.046 0.000 0.289 481 G HA3 0.099 4.032 3.960 -0.046 0.000 0.289 481 G C -3.423 171.512 174.900 0.057 0.000 1.302 481 G CA -0.948 44.250 45.100 0.164 0.000 0.936 481 G HN 0.271 nan 8.290 nan 0.000 0.513 482 P HA 0.276 nan 4.420 nan 0.000 0.269 482 P C 1.050 178.295 177.300 -0.091 0.000 1.209 482 P CA 0.245 63.320 63.100 -0.041 0.000 0.776 482 P CB 0.687 32.342 31.700 -0.075 0.000 0.876 483 T N 0.775 115.320 114.554 -0.015 0.000 2.759 483 T HA -0.176 4.147 4.350 -0.046 0.000 0.269 483 T C 1.260 175.927 174.700 -0.056 0.000 1.042 483 T CA 1.994 64.115 62.100 0.034 0.000 1.140 483 T CB -0.835 68.107 68.868 0.124 0.000 0.864 483 T HN 0.634 nan 8.240 nan 0.000 0.455 484 D N 1.262 121.607 120.400 -0.092 0.000 2.149 484 D HA -0.144 4.469 4.640 -0.046 0.000 0.198 484 D C 1.880 178.042 176.300 -0.231 0.000 0.990 484 D CA 1.168 55.093 54.000 -0.124 0.000 0.839 484 D CB -0.417 40.319 40.800 -0.106 0.000 0.948 484 D HN 0.260 nan 8.370 nan 0.000 0.460 485 M N -0.009 119.359 119.600 -0.387 0.000 2.193 485 M HA 0.129 4.582 4.480 -0.046 0.000 0.265 485 M C 2.586 178.565 176.300 -0.534 0.000 1.071 485 M CA 0.528 55.431 55.300 -0.661 0.000 1.140 485 M CB -0.527 31.193 32.600 -1.468 0.000 1.369 485 M HN 0.077 nan 8.290 nan 0.000 0.423 486 I N 0.008 120.294 120.570 -0.473 0.000 2.286 486 I HA -0.314 3.828 4.170 -0.046 0.000 0.248 486 I C 2.395 178.258 176.117 -0.424 0.000 1.115 486 I CA 1.235 62.205 61.300 -0.551 0.000 1.392 486 I CB -0.472 36.937 38.000 -0.986 0.000 1.065 486 I HN 0.403 nan 8.210 nan 0.000 0.418 487 Q N 0.100 119.760 119.800 -0.234 0.000 2.167 487 Q HA -0.147 4.166 4.340 -0.046 0.000 0.202 487 Q C 2.227 178.182 176.000 -0.075 0.000 0.970 487 Q CA 1.817 57.588 55.803 -0.053 0.000 0.855 487 Q CB -0.131 28.627 28.738 0.035 0.000 0.911 487 Q HN 0.503 nan 8.270 nan 0.000 0.438 488 T N 0.452 114.925 114.554 -0.134 0.000 2.746 488 T HA -0.128 4.194 4.350 -0.046 0.000 0.267 488 T C 1.994 176.645 174.700 -0.081 0.000 1.039 488 T CA 1.293 63.329 62.100 -0.107 0.000 1.142 488 T CB -0.220 68.561 68.868 -0.146 0.000 0.866 488 T HN 0.063 nan 8.240 nan 0.000 0.444 489 V N 1.461 121.311 119.914 -0.107 0.000 2.343 489 V HA -0.218 3.874 4.120 -0.046 0.000 0.247 489 V C 2.600 178.672 176.094 -0.037 0.000 1.051 489 V CA 1.827 64.088 62.300 -0.064 0.000 1.036 489 V CB -0.674 31.100 31.823 -0.082 0.000 0.654 489 V HN 0.492 nan 8.190 nan 0.000 0.451 490 Q N 0.322 120.099 119.800 -0.037 0.000 2.291 490 Q HA -0.185 4.128 4.340 -0.046 0.000 0.205 490 Q C 2.307 178.327 176.000 0.034 0.000 0.970 490 Q CA 1.618 57.442 55.803 0.035 0.000 0.876 490 Q CB -0.119 28.693 28.738 0.123 0.000 0.935 490 Q HN 0.813 nan 8.270 nan 0.000 0.455 491 S N 0.219 115.926 115.700 0.010 0.000 2.447 491 S HA -0.100 4.342 4.470 -0.046 0.000 0.233 491 S C 0.815 175.419 174.600 0.008 0.000 1.006 491 S CA 0.427 58.632 58.200 0.009 0.000 0.957 491 S CB -0.153 63.045 63.200 -0.004 0.000 0.773 491 S HN 0.294 nan 8.310 nan 0.000 0.507 492 N N 2.446 121.150 118.700 0.006 0.000 2.420 492 N HA 0.277 4.990 4.740 -0.046 0.000 0.249 492 N C -2.309 173.210 175.510 0.015 0.000 1.033 492 N CA -2.006 51.049 53.050 0.008 0.000 0.944 492 N CB 1.599 40.089 38.487 0.005 0.000 1.113 492 N HN -0.007 nan 8.380 nan 0.000 0.502 493 P HA -0.076 nan 4.420 nan 0.000 0.218 493 P C 0.996 178.309 177.300 0.021 0.000 1.148 493 P CA 1.356 64.468 63.100 0.020 0.000 0.822 493 P CB 0.350 32.059 31.700 0.016 0.000 0.784 494 T N -0.614 113.951 114.554 0.017 0.000 2.737 494 T HA -0.094 4.229 4.350 -0.046 0.000 0.265 494 T C 1.935 176.648 174.700 0.022 0.000 1.038 494 T CA 1.604 63.715 62.100 0.018 0.000 1.144 494 T CB -0.967 67.910 68.868 0.015 0.000 0.866 494 T HN 0.040 nan 8.240 nan 0.000 0.434 495 A N 1.461 124.293 122.820 0.020 0.000 1.972 495 A HA 0.176 4.468 4.320 -0.046 0.000 0.219 495 A C 2.623 180.223 177.584 0.027 0.000 1.169 495 A CA 1.741 53.790 52.037 0.020 0.000 0.635 495 A CB -1.044 17.964 19.000 0.014 0.000 0.810 495 A HN 0.499 nan 8.150 nan 0.000 0.446 496 A N -0.054 122.786 122.820 0.034 0.000 1.940 496 A HA 0.120 4.413 4.320 -0.046 0.000 0.219 496 A C 2.414 180.037 177.584 0.065 0.000 1.176 496 A CA 1.978 54.049 52.037 0.057 0.000 0.631 496 A CB -0.884 18.152 19.000 0.061 0.000 0.814 496 A HN 1.101 nan 8.150 nan 0.000 0.446 497 A N -0.700 122.148 122.820 0.046 0.000 2.067 497 A HA 0.282 4.574 4.320 -0.046 0.000 0.219 497 A C 2.150 179.759 177.584 0.043 0.000 1.158 497 A CA 1.633 53.695 52.037 0.042 0.000 0.661 497 A CB -0.544 18.473 19.000 0.029 0.000 0.801 497 A HN 1.050 nan 8.150 nan 0.000 0.452 498 A N -1.001 121.845 122.820 0.043 0.000 2.275 498 A HA 0.500 4.793 4.320 -0.046 0.000 0.212 498 A C 0.776 178.393 177.584 0.056 0.000 1.201 498 A CA -0.276 51.786 52.037 0.042 0.000 0.843 498 A CB -0.187 18.835 19.000 0.036 0.000 0.873 498 A HN 0.403 nan 8.150 nan 0.000 0.492 499 L N 0.901 122.171 121.223 0.078 0.000 2.436 499 L HA 0.273 4.585 4.340 -0.046 0.000 0.265 499 L C -2.102 174.873 176.870 0.175 0.000 1.168 499 L CA -1.930 52.981 54.840 0.118 0.000 0.815 499 L CB 0.525 42.685 42.059 0.167 0.000 1.109 499 L HN 0.078 nan 8.230 nan 0.000 0.462 500 P HA 0.174 nan 4.420 nan 0.000 0.272 500 P C -2.531 174.944 177.300 0.292 0.000 1.240 500 P CA -1.125 62.110 63.100 0.226 0.000 0.791 500 P CB -0.260 31.588 31.700 0.247 0.000 0.978 501 P HA -0.024 nan 4.420 nan 0.000 0.268 501 P C 0.750 177.885 177.300 -0.276 0.000 1.208 501 P CA 0.149 63.238 63.100 -0.018 0.000 0.777 501 P CB 0.446 32.114 31.700 -0.053 0.000 0.875 502 Q N 2.490 121.888 119.800 -0.671 0.000 2.181 502 Q HA -0.227 4.086 4.340 -0.046 0.000 0.205 502 Q C 1.643 177.129 176.000 -0.857 0.000 0.980 502 Q CA 1.727 56.594 55.803 -1.561 0.000 0.862 502 Q CB -0.267 27.653 28.738 -1.363 0.000 0.905 502 Q HN 0.493 nan 8.270 nan 0.000 0.429 503 N N -0.467 117.982 118.700 -0.419 0.000 2.519 503 N HA -0.201 4.512 4.740 -0.046 0.000 0.186 503 N C 0.944 176.388 175.510 -0.110 0.000 1.062 503 N CA 0.987 53.907 53.050 -0.217 0.000 0.910 503 N CB -0.044 38.360 38.487 -0.138 0.000 0.958 503 N HN 0.435 nan 8.380 nan 0.000 0.445 504 Q N -0.882 118.870 119.800 -0.081 0.000 2.282 504 Q HA 0.096 4.408 4.340 -0.046 0.000 0.206 504 Q C -0.411 175.724 176.000 0.226 0.000 0.878 504 Q CA -0.409 55.436 55.803 0.069 0.000 0.944 504 Q CB 0.250 29.042 28.738 0.090 0.000 1.100 504 Q HN 0.287 nan 8.270 nan 0.000 0.509 505 W N 1.369 122.677 121.300 0.013 0.000 2.193 505 W HA 0.147 4.800 4.660 -0.011 0.000 0.338 505 W C 0.152 176.684 176.519 0.021 0.000 1.310 505 W CA -0.647 56.710 57.345 0.020 0.000 1.243 505 W CB -0.031 29.438 29.460 0.016 0.000 1.165 505 W HN -0.016 nan 8.180 nan 0.000 0.566 506 I N 3.610 124.322 120.570 0.237 0.000 2.330 506 I HA 0.040 4.182 4.170 -0.046 0.000 0.289 506 I C 0.222 176.413 176.117 0.123 0.000 1.001 506 I CA -0.846 60.541 61.300 0.145 0.000 1.193 506 I CB 0.846 38.910 38.000 0.108 0.000 1.345 506 I HN 0.218 nan 8.210 nan 0.000 0.461 507 N N 8.380 127.145 118.700 0.108 0.000 2.415 507 N HA 0.445 5.157 4.740 -0.046 0.000 0.250 507 N C -1.335 174.207 175.510 0.054 0.000 1.127 507 N CA 0.210 53.308 53.050 0.081 0.000 0.945 507 N CB 0.333 38.861 38.487 0.068 0.000 1.196 507 N HN 0.502 nan 8.380 nan 0.000 0.499 508 L N 3.834 125.093 121.223 0.060 0.000 2.393 508 L HA 0.558 4.870 4.340 -0.046 0.000 0.260 508 L C -1.941 174.958 176.870 0.049 0.000 1.002 508 L CA -2.027 52.846 54.840 0.055 0.000 0.818 508 L CB 2.998 45.108 42.059 0.084 0.000 1.369 508 L HN 0.383 nan 8.230 nan 0.000 0.412 509 P HA 0.041 nan 4.420 nan 0.000 0.237 509 P C -0.161 177.154 177.300 0.025 0.000 1.723 509 P CA -0.042 63.069 63.100 0.018 0.000 0.882 509 P CB -0.272 31.424 31.700 -0.007 0.000 1.810 510 V N 0.870 120.824 119.914 0.067 0.000 2.493 510 V HA 0.241 4.333 4.120 -0.046 0.000 0.292 510 V C 1.844 178.008 176.094 0.116 0.000 1.016 510 V CA 1.615 63.950 62.300 0.060 0.000 1.097 510 V CB -0.323 31.547 31.823 0.077 0.000 0.947 510 V HN 0.648 nan 8.190 nan 0.000 0.479 511 G N 4.283 113.080 108.800 -0.006 0.000 2.241 511 G HA2 -0.208 3.724 3.960 -0.046 0.000 0.244 511 G HA3 -0.208 3.724 3.960 -0.046 0.000 0.244 511 G C 0.232 175.103 174.900 -0.048 0.000 0.998 511 G CA 0.041 45.127 45.100 -0.022 0.000 0.621 511 G HN 0.473 nan 8.290 nan 0.000 0.519 512 M N 0.167 119.748 119.600 -0.032 0.000 2.202 512 M HA 0.362 4.815 4.480 -0.046 0.000 0.316 512 M C 1.406 177.663 176.300 -0.071 0.000 1.138 512 M CA -0.009 55.261 55.300 -0.050 0.000 1.151 512 M CB 0.112 32.690 32.600 -0.038 0.000 1.422 512 M HN 0.260 nan 8.290 nan 0.000 0.471 513 N N -1.030 117.622 118.700 -0.080 0.000 2.778 513 N HA -0.140 4.572 4.740 -0.046 0.000 0.249 513 N C -0.474 174.970 175.510 -0.110 0.000 1.069 513 N CA 0.896 53.887 53.050 -0.098 0.000 0.831 513 N CB -0.884 37.543 38.487 -0.099 0.000 1.142 513 N HN 0.839 nan 8.380 nan 0.000 0.573 514 A N 0.694 123.460 122.820 -0.090 0.000 2.540 514 A HA 0.231 4.523 4.320 -0.046 0.000 0.239 514 A C 0.540 178.073 177.584 -0.085 0.000 1.061 514 A CA 0.672 52.681 52.037 -0.047 0.000 0.758 514 A CB 0.385 19.386 19.000 0.001 0.000 0.991 514 A HN 0.347 nan 8.150 nan 0.000 0.502 515 Q N 0.638 120.380 119.800 -0.096 0.000 2.331 515 Q HA 0.525 4.837 4.340 -0.046 0.000 0.272 515 Q C -1.867 173.958 176.000 -0.292 0.000 1.062 515 Q CA -0.572 55.093 55.803 -0.231 0.000 0.806 515 Q CB 2.042 30.602 28.738 -0.296 0.000 1.312 515 Q HN 0.866 nan 8.270 nan 0.000 0.431 516 D N 1.299 121.444 120.400 -0.424 0.000 2.661 516 D HA 0.306 4.918 4.640 -0.046 0.000 0.228 516 D C -1.439 174.739 176.300 -0.202 0.000 1.210 516 D CA -0.486 53.237 54.000 -0.461 0.000 0.826 516 D CB 1.434 41.664 40.800 -0.949 0.000 1.542 516 D HN 0.530 nan 8.370 nan 0.000 0.447 517 N N 1.924 120.498 118.700 -0.211 0.000 2.518 517 N HA 0.304 5.017 4.740 -0.046 0.000 0.266 517 N C -2.291 173.211 175.510 -0.013 0.000 1.196 517 N CA -0.904 52.016 53.050 -0.218 0.000 0.947 517 N CB 0.715 38.760 38.487 -0.737 0.000 1.098 517 N HN 0.215 nan 8.380 nan 0.000 0.450 518 P HA 0.134 nan 4.420 nan 0.000 0.280 518 P C -0.952 176.309 177.300 -0.064 0.000 1.386 518 P CA -0.197 62.918 63.100 0.026 0.000 0.899 518 P CB 0.523 32.266 31.700 0.071 0.000 1.098 519 S N 4.386 119.994 115.700 -0.154 0.000 2.537 519 S HA 0.490 4.933 4.470 -0.046 0.000 0.275 519 S C 0.268 174.730 174.600 -0.231 0.000 1.272 519 S CA -0.358 57.797 58.200 -0.075 0.000 1.050 519 S CB 0.241 63.419 63.200 -0.036 0.000 0.961 519 S HN 0.292 nan 8.310 nan 0.000 0.496 520 I N 3.367 123.821 120.570 -0.194 0.000 2.466 520 I HA 0.307 4.449 4.170 -0.046 0.000 0.289 520 I C -0.218 175.892 176.117 -0.012 0.000 1.026 520 I CA -0.575 60.551 61.300 -0.292 0.000 1.078 520 I CB 1.611 39.420 38.000 -0.319 0.000 1.249 520 I HN 0.578 nan 8.210 nan 0.000 0.429 521 N N 6.419 125.217 118.700 0.163 0.000 2.455 521 N HA 0.582 5.295 4.740 -0.046 0.000 0.280 521 N C -0.985 174.636 175.510 0.185 0.000 1.055 521 N CA -0.514 52.636 53.050 0.168 0.000 0.961 521 N CB 1.695 40.283 38.487 0.169 0.000 1.121 521 N HN 0.385 nan 8.380 nan 0.000 0.476 522 L N 2.427 123.684 121.223 0.057 0.000 2.341 522 L HA 0.570 4.883 4.340 -0.046 0.000 0.278 522 L C -0.773 175.905 176.870 -0.320 0.000 1.005 522 L CA -1.036 53.702 54.840 -0.170 0.000 0.818 522 L CB 1.689 43.703 42.059 -0.075 0.000 1.259 522 L HN 0.206 nan 8.230 nan 0.000 0.418 523 V N 3.053 122.594 119.914 -0.622 0.000 2.495 523 V HA 0.551 4.643 4.120 -0.046 0.000 0.298 523 V C -0.566 174.964 176.094 -0.939 0.000 1.031 523 V CA -0.470 61.494 62.300 -0.559 0.000 0.871 523 V CB 1.676 33.290 31.823 -0.348 0.000 0.988 523 V HN 0.408 nan 8.190 nan 0.000 0.432 524 F N 1.167 120.767 119.950 -0.584 0.000 2.611 524 F HA 0.792 5.291 4.527 -0.046 0.000 0.324 524 F C 0.438 175.979 175.800 -0.431 0.000 1.061 524 F CA -0.700 56.929 58.000 -0.619 0.000 0.954 524 F CB 2.399 40.781 39.000 -1.029 0.000 1.301 524 F HN 0.522 nan 8.300 nan 0.000 0.482 525 T N -1.873 112.723 114.554 0.070 0.000 2.908 525 T HA 0.569 4.892 4.350 -0.046 0.000 0.290 525 T C -1.508 173.418 174.700 0.377 0.000 1.034 525 T CA -0.637 61.595 62.100 0.221 0.000 1.010 525 T CB 2.060 71.019 68.868 0.153 0.000 1.068 525 T HN 0.821 nan 8.240 nan 0.000 0.481 526 H N 1.335 120.583 119.070 0.298 0.000 3.086 526 H HA 0.288 4.816 4.556 -0.046 0.000 0.353 526 H C -2.797 172.620 175.328 0.148 0.000 1.134 526 H CA -1.599 54.577 56.048 0.212 0.000 1.248 526 H CB 2.620 32.518 29.762 0.226 0.000 1.878 526 H HN 0.321 nan 8.280 nan 0.000 0.527 527 P HA -0.157 nan 4.420 nan 0.000 0.218 527 P C 1.258 178.609 177.300 0.085 0.000 1.146 527 P CA 1.918 64.970 63.100 -0.080 0.000 0.813 527 P CB 0.227 31.812 31.700 -0.192 0.000 0.778 528 S N -2.100 113.781 115.700 0.302 0.000 2.527 528 S HA 0.023 4.465 4.470 -0.046 0.000 0.222 528 S C 0.992 175.693 174.600 0.169 0.000 0.985 528 S CA 0.049 58.395 58.200 0.244 0.000 0.921 528 S CB -0.724 62.639 63.200 0.272 0.000 0.772 528 S HN -0.082 nan 8.310 nan 0.000 0.529 529 I N 3.150 123.842 120.570 0.203 0.000 2.634 529 I HA 0.278 4.420 4.170 -0.046 0.000 0.284 529 I C -0.082 176.113 176.117 0.132 0.000 1.124 529 I CA -0.004 61.384 61.300 0.147 0.000 1.417 529 I CB 0.541 38.685 38.000 0.241 0.000 1.396 529 I HN 0.198 nan 8.210 nan 0.000 0.571 530 D N 5.074 125.538 120.400 0.106 0.000 2.460 530 D HA 0.414 5.026 4.640 -0.046 0.000 0.232 530 D C 0.585 176.952 176.300 0.112 0.000 1.079 530 D CA -0.480 53.579 54.000 0.098 0.000 0.864 530 D CB 1.542 42.394 40.800 0.087 0.000 1.048 530 D HN 0.587 nan 8.370 nan 0.000 0.523 531 A N 3.650 126.540 122.820 0.117 0.000 2.239 531 A HA -0.066 4.226 4.320 -0.046 0.000 0.209 531 A C 0.766 178.361 177.584 0.018 0.000 1.171 531 A CA 0.050 52.163 52.037 0.125 0.000 0.768 531 A CB -0.739 18.354 19.000 0.155 0.000 0.790 531 A HN 0.701 nan 8.150 nan 0.000 0.478 532 Y N -0.559 119.607 120.300 -0.224 0.000 3.389 532 Y HA -0.264 4.259 4.550 -0.046 0.000 0.213 532 Y C 0.323 176.010 175.900 -0.355 0.000 1.272 532 Y CA 0.733 58.586 58.100 -0.411 0.000 1.444 532 Y CB -2.218 35.729 38.460 -0.856 0.000 1.445 532 Y HN 0.678 nan 8.280 nan 0.000 0.583 533 E N -0.907 119.159 120.200 -0.223 0.000 2.660 533 E HA -0.338 3.984 4.350 -0.046 0.000 0.260 533 E C 0.605 177.186 176.600 -0.032 0.000 1.122 533 E CA 1.391 57.709 56.400 -0.138 0.000 0.755 533 E CB -1.534 28.052 29.700 -0.191 0.000 1.345 533 E HN 0.660 nan 8.360 nan 0.000 0.421 534 N N -1.984 116.722 118.700 0.009 0.000 2.708 534 N HA -0.274 4.438 4.740 -0.046 0.000 0.251 534 N C -0.594 175.126 175.510 0.351 0.000 1.123 534 N CA 1.630 54.791 53.050 0.186 0.000 0.739 534 N CB -1.269 37.336 38.487 0.195 0.000 1.113 534 N HN 0.573 nan 8.380 nan 0.000 0.561 535 W N -4.840 116.570 121.300 0.184 0.000 2.869 535 W HA -0.329 4.304 4.660 -0.045 0.000 0.285 535 W C 1.501 178.119 176.519 0.166 0.000 1.098 535 W CA 0.690 58.163 57.345 0.213 0.000 0.571 535 W CB -1.969 27.626 29.460 0.224 0.000 2.131 535 W HN 0.391 nan 8.180 nan 0.000 1.367 536 A N -0.527 122.441 122.820 0.248 0.000 2.066 536 A HA -0.079 4.214 4.320 -0.046 0.000 0.218 536 A C 1.673 179.372 177.584 0.191 0.000 1.157 536 A CA 1.920 54.080 52.037 0.206 0.000 0.670 536 A CB -0.200 18.884 19.000 0.139 0.000 0.804 536 A HN 0.276 nan 8.150 nan 0.000 0.453 537 D N -0.943 119.543 120.400 0.143 0.000 2.433 537 D HA 0.088 4.700 4.640 -0.046 0.000 0.211 537 D C 1.870 178.283 176.300 0.189 0.000 1.114 537 D CA 0.827 54.898 54.000 0.118 0.000 0.837 537 D CB 0.313 41.108 40.800 -0.008 0.000 0.984 537 D HN 0.347 nan 8.370 nan 0.000 0.505 538 V N -1.650 118.457 119.914 0.321 0.000 2.490 538 V HA -0.101 3.991 4.120 -0.046 0.000 0.250 538 V C 2.023 178.455 176.094 0.564 0.000 1.061 538 V CA 0.917 63.519 62.300 0.502 0.000 1.064 538 V CB -0.619 31.649 31.823 0.742 0.000 0.670 538 V HN 0.293 nan 8.190 nan 0.000 0.461 539 W N 2.097 123.572 121.300 0.292 0.000 2.488 539 W HA -0.075 4.558 4.660 -0.045 0.000 0.304 539 W C 2.639 179.290 176.519 0.220 0.000 1.175 539 W CA 2.064 59.545 57.345 0.226 0.000 1.365 539 W CB -0.150 29.371 29.460 0.102 0.000 1.131 539 W HN 0.509 nan 8.180 nan 0.000 0.520 540 S N 0.178 116.064 115.700 0.310 0.000 2.458 540 S HA -0.058 4.384 4.470 -0.046 0.000 0.223 540 S C 0.371 175.020 174.600 0.082 0.000 1.019 540 S CA 0.864 59.160 58.200 0.161 0.000 0.937 540 S CB -0.660 62.685 63.200 0.241 0.000 0.788 540 S HN 0.489 nan 8.310 nan 0.000 0.511 541 N N 0.360 119.104 118.700 0.072 0.000 2.725 541 N HA 0.296 5.008 4.740 -0.046 0.000 0.225 541 N C -3.314 172.159 175.510 -0.063 0.000 1.465 541 N CA -1.224 51.825 53.050 -0.002 0.000 0.830 541 N CB 0.890 39.381 38.487 0.007 0.000 1.460 541 N HN 0.156 nan 8.380 nan 0.000 0.538 542 P HA 0.091 nan 4.420 nan 0.000 0.274 542 P C -0.432 176.747 177.300 -0.201 0.000 1.256 542 P CA -0.281 62.708 63.100 -0.184 0.000 0.795 542 P CB 0.958 32.399 31.700 -0.431 0.000 1.038 543 R N 1.736 122.120 120.500 -0.195 0.000 2.480 543 R HA 0.019 4.332 4.340 -0.046 0.000 0.303 543 R C -1.436 174.785 176.300 -0.133 0.000 0.985 543 R CA -0.832 55.172 56.100 -0.160 0.000 1.051 543 R CB -0.549 29.657 30.300 -0.157 0.000 0.935 543 R HN 0.404 nan 8.270 nan 0.000 0.410 544 P HA -0.226 nan 4.420 nan 0.000 0.216 544 P C 0.887 178.139 177.300 -0.081 0.000 1.150 544 P CA 1.490 64.525 63.100 -0.108 0.000 0.843 544 P CB 0.231 31.889 31.700 -0.071 0.000 0.787 545 A N -0.376 122.417 122.820 -0.045 0.000 1.930 545 A HA -0.191 4.101 4.320 -0.046 0.000 0.217 545 A C 1.919 179.500 177.584 -0.005 0.000 1.175 545 A CA 1.876 53.904 52.037 -0.015 0.000 0.627 545 A CB -1.197 17.806 19.000 0.005 0.000 0.815 545 A HN 0.097 nan 8.150 nan 0.000 0.443 546 D N 0.211 120.613 120.400 0.002 0.000 2.123 546 D HA -0.004 4.608 4.640 -0.046 0.000 0.200 546 D C 2.254 178.598 176.300 0.075 0.000 0.976 546 D CA 1.440 55.478 54.000 0.063 0.000 0.831 546 D CB -0.494 40.368 40.800 0.104 0.000 0.974 546 D HN 0.403 nan 8.370 nan 0.000 0.469 547 A N 1.245 123.960 122.820 -0.175 0.000 1.877 547 A HA -0.070 4.223 4.320 -0.046 0.000 0.216 547 A C 2.325 179.833 177.584 -0.127 0.000 1.186 547 A CA 2.320 53.989 52.037 -0.614 0.000 0.620 547 A CB -0.749 17.696 19.000 -0.926 0.000 0.822 547 A HN 0.237 nan 8.150 nan 0.000 0.443 548 A N -1.052 121.735 122.820 -0.055 0.000 1.902 548 A HA -0.210 4.082 4.320 -0.046 0.000 0.217 548 A C 2.199 179.812 177.584 0.048 0.000 1.181 548 A CA 1.767 53.815 52.037 0.017 0.000 0.623 548 A CB -0.595 18.405 19.000 -0.001 0.000 0.818 548 A HN 0.653 nan 8.150 nan 0.000 0.443 549 Q N -1.961 117.868 119.800 0.047 0.000 2.061 549 Q HA -0.241 4.071 4.340 -0.046 0.000 0.204 549 Q C 1.960 178.009 176.000 0.080 0.000 0.984 549 Q CA 2.097 57.928 55.803 0.047 0.000 0.846 549 Q CB -0.299 28.451 28.738 0.020 0.000 0.902 549 Q HN 0.770 nan 8.270 nan 0.000 0.421 550 Y N 0.236 120.565 120.300 0.048 0.000 2.200 550 Y HA -0.230 4.292 4.550 -0.046 0.000 0.290 550 Y C 1.943 177.907 175.900 0.106 0.000 1.137 550 Y CA 1.238 59.400 58.100 0.103 0.000 1.163 550 Y CB -0.154 38.436 38.460 0.217 0.000 0.988 550 Y HN 0.203 nan 8.280 nan 0.000 0.518 551 L N 0.062 121.423 121.223 0.230 0.000 2.083 551 L HA -0.146 4.167 4.340 -0.046 0.000 0.209 551 L C 2.400 179.261 176.870 -0.015 0.000 1.083 551 L CA 2.050 56.963 54.840 0.123 0.000 0.752 551 L CB -1.127 41.036 42.059 0.173 0.000 0.899 551 L HN 0.269 nan 8.230 nan 0.000 0.433 552 A N 0.017 122.829 122.820 -0.013 0.000 1.854 552 A HA -0.159 4.134 4.320 -0.046 0.000 0.214 552 A C 1.630 179.169 177.584 -0.075 0.000 1.192 552 A CA 1.698 53.715 52.037 -0.033 0.000 0.611 552 A CB -0.539 18.454 19.000 -0.012 0.000 0.832 552 A HN 0.759 nan 8.150 nan 0.000 0.442 553 N N -3.313 115.319 118.700 -0.112 0.000 2.193 553 N HA 0.220 4.933 4.740 -0.046 0.000 0.236 553 N C -0.628 174.754 175.510 -0.213 0.000 1.347 553 N CA 0.150 53.121 53.050 -0.131 0.000 0.812 553 N CB 0.500 38.948 38.487 -0.065 0.000 1.297 553 N HN 0.068 nan 8.380 nan 0.000 0.499 554 Q N 0.551 120.094 119.800 -0.429 0.000 2.487 554 Q HA -0.181 4.131 4.340 -0.046 0.000 0.279 554 Q C -0.668 175.207 176.000 -0.208 0.000 1.228 554 Q CA 1.193 56.555 55.803 -0.736 0.000 0.873 554 Q CB -2.228 26.129 28.738 -0.635 0.000 1.260 554 Q HN 0.772 nan 8.270 nan 0.000 0.471 555 S N -2.191 113.460 115.700 -0.081 0.000 2.739 555 S HA 0.940 5.382 4.470 -0.046 0.000 0.306 555 S C 0.756 175.304 174.600 -0.086 0.000 1.115 555 S CA -0.109 58.084 58.200 -0.011 0.000 0.985 555 S CB 2.503 65.705 63.200 0.003 0.000 1.133 555 S HN 1.348 nan 8.310 nan 0.000 0.541 556 G N -0.298 108.204 108.800 -0.495 0.000 2.548 556 G HA2 -0.152 3.781 3.960 -0.046 0.000 0.208 556 G HA3 -0.152 3.781 3.960 -0.046 0.000 0.208 556 G C 0.389 174.872 174.900 -0.695 0.000 1.308 556 G CA -0.293 44.089 45.100 -1.197 0.000 0.924 556 G HN 1.431 nan 8.290 nan 0.000 0.540 557 V N -0.033 119.558 119.914 -0.538 0.000 2.324 557 V HA -0.149 3.944 4.120 -0.046 0.000 0.250 557 V C 2.591 178.514 176.094 -0.285 0.000 1.060 557 V CA 3.096 65.189 62.300 -0.344 0.000 1.042 557 V CB -0.808 30.699 31.823 -0.527 0.000 0.650 557 V HN 0.507 nan 8.190 nan 0.000 0.450 558 F N 0.404 120.292 119.950 -0.102 0.000 2.604 558 F HA 0.089 4.589 4.527 -0.046 0.000 0.298 558 F C 2.183 177.846 175.800 -0.228 0.000 1.131 558 F CA 0.808 58.693 58.000 -0.193 0.000 1.457 558 F CB -0.595 38.144 39.000 -0.436 0.000 1.095 558 F HN 0.102 nan 8.300 nan 0.000 0.574 559 A N -0.214 122.685 122.820 0.133 0.000 2.208 559 A HA 0.403 4.695 4.320 -0.046 0.000 0.209 559 A C 1.432 179.022 177.584 0.010 0.000 1.161 559 A CA 0.820 52.951 52.037 0.157 0.000 0.782 559 A CB -0.845 18.280 19.000 0.208 0.000 0.816 559 A HN 0.247 nan 8.150 nan 0.000 0.477 560 G N -1.836 106.956 108.800 -0.013 0.000 2.481 560 G HA2 0.587 4.520 3.960 -0.046 0.000 0.315 560 G HA3 0.587 4.520 3.960 -0.046 0.000 0.315 560 G C -0.015 174.816 174.900 -0.115 0.000 1.231 560 G CA 0.013 45.058 45.100 -0.092 0.000 0.968 560 G HN 0.503 nan 8.290 nan 0.000 0.482 561 A N 0.277 122.933 122.820 -0.273 0.000 2.256 561 A HA 0.542 4.835 4.320 -0.046 0.000 0.276 561 A C 2.070 179.657 177.584 0.005 0.000 1.259 561 A CA 0.707 52.692 52.037 -0.087 0.000 0.813 561 A CB -0.093 18.842 19.000 -0.109 0.000 1.200 561 A HN 1.522 nan 8.150 nan 0.000 0.506 562 S N -0.874 114.768 115.700 -0.098 0.000 2.406 562 S HA 0.029 4.471 4.470 -0.046 0.000 0.228 562 S C -1.789 172.925 174.600 0.191 0.000 1.020 562 S CA 0.345 58.448 58.200 -0.162 0.000 0.965 562 S CB -1.580 61.263 63.200 -0.595 0.000 0.798 562 S HN 0.487 nan 8.310 nan 0.000 0.488 563 P HA 0.239 nan 4.420 nan 0.000 0.271 563 P C 0.358 177.869 177.300 0.353 0.000 1.216 563 P CA -0.087 63.181 63.100 0.280 0.000 0.771 563 P CB 0.739 32.582 31.700 0.237 0.000 0.864 564 K N 1.774 122.367 120.400 0.321 0.000 2.403 564 K HA 0.294 4.587 4.320 -0.046 0.000 0.199 564 K C 0.377 177.259 176.600 0.470 0.000 1.199 564 K CA 0.334 56.853 56.287 0.387 0.000 0.924 564 K CB 0.363 33.076 32.500 0.355 0.000 1.137 564 K HN 0.333 nan 8.250 nan 0.000 0.510 565 L N 1.320 122.755 121.223 0.354 0.000 2.401 565 L HA 0.455 4.767 4.340 -0.046 0.000 0.266 565 L C -1.696 175.273 176.870 0.164 0.000 0.991 565 L CA -0.560 54.475 54.840 0.324 0.000 0.818 565 L CB 1.994 44.119 42.059 0.111 0.000 1.321 565 L HN -0.018 nan 8.230 nan 0.000 0.413 566 N N 3.584 122.365 118.700 0.135 0.000 2.229 566 N HA 0.634 5.346 4.740 -0.046 0.000 0.298 566 N C -1.652 173.736 175.510 -0.202 0.000 1.114 566 N CA -0.182 52.745 53.050 -0.204 0.000 0.776 566 N CB 2.536 40.841 38.487 -0.302 0.000 1.501 566 N HN 0.500 nan 8.380 nan 0.000 0.474 567 F N -1.295 118.241 119.950 -0.690 0.000 2.645 567 F HA 0.767 5.267 4.527 -0.045 0.000 0.310 567 F C -1.672 173.822 175.800 -0.510 0.000 1.102 567 F CA -0.988 56.818 58.000 -0.323 0.000 0.952 567 F CB 1.710 40.609 39.000 -0.167 0.000 1.326 567 F HN 0.286 nan 8.300 nan 0.000 0.456 568 W N 1.242 122.765 121.300 0.373 0.000 3.031 568 W HA 0.692 5.324 4.660 -0.046 0.000 0.337 568 W C -1.095 175.608 176.519 0.306 0.000 1.187 568 W CA -0.988 56.511 57.345 0.256 0.000 1.166 568 W CB 2.671 32.235 29.460 0.173 0.000 1.437 568 W HN 0.789 nan 8.180 nan 0.000 0.551 569 R N 0.946 121.700 120.500 0.423 0.000 2.566 569 R HA 0.576 4.889 4.340 -0.046 0.000 0.271 569 R C -1.191 174.979 176.300 -0.217 0.000 1.071 569 R CA -0.416 55.683 56.100 -0.002 0.000 0.915 569 R CB 1.853 32.100 30.300 -0.089 0.000 1.228 569 R HN 0.524 nan 8.270 nan 0.000 0.449 570 A N 3.287 125.749 122.820 -0.597 0.000 2.327 570 A HA 0.561 4.854 4.320 -0.046 0.000 0.283 570 A C -1.490 175.754 177.584 -0.567 0.000 1.127 570 A CA -0.115 51.426 52.037 -0.827 0.000 0.810 570 A CB 0.383 18.874 19.000 -0.849 0.000 1.066 570 A HN 0.618 nan 8.150 nan 0.000 0.492 571 Y N 0.715 120.886 120.300 -0.216 0.000 2.406 571 Y HA 0.380 4.903 4.550 -0.046 0.000 0.340 571 Y C 0.469 176.345 175.900 -0.041 0.000 0.975 571 Y CA -0.266 57.788 58.100 -0.077 0.000 1.056 571 Y CB 2.364 40.811 38.460 -0.022 0.000 1.210 571 Y HN 0.639 nan 8.280 nan 0.000 0.448 572 S N 1.642 117.400 115.700 0.097 0.000 2.545 572 S HA 0.574 5.016 4.470 -0.046 0.000 0.275 572 S C 0.353 175.027 174.600 0.123 0.000 1.299 572 S CA -0.590 57.660 58.200 0.084 0.000 1.048 572 S CB 0.973 64.197 63.200 0.040 0.000 0.938 572 S HN 0.869 nan 8.310 nan 0.000 0.496 573 G N 0.598 109.473 108.800 0.125 0.000 2.434 573 G HA2 0.421 4.354 3.960 -0.046 0.000 0.330 573 G HA3 0.421 4.354 3.960 -0.046 0.000 0.330 573 G C 0.827 175.788 174.900 0.102 0.000 1.155 573 G CA -0.604 44.569 45.100 0.122 0.000 0.917 573 G HN 0.716 nan 8.290 nan 0.000 0.493 574 S N -0.278 115.473 115.700 0.083 0.000 2.469 574 S HA -0.135 4.307 4.470 -0.046 0.000 0.238 574 S C 1.267 175.914 174.600 0.078 0.000 0.998 574 S CA 1.502 59.742 58.200 0.068 0.000 0.957 574 S CB -0.063 63.168 63.200 0.052 0.000 0.764 574 S HN 0.635 nan 8.310 nan 0.000 0.514 575 D N -0.038 120.429 120.400 0.111 0.000 2.328 575 D HA 0.290 4.902 4.640 -0.046 0.000 0.221 575 D C 1.362 177.793 176.300 0.219 0.000 1.072 575 D CA 0.447 54.534 54.000 0.145 0.000 0.850 575 D CB -0.534 40.343 40.800 0.130 0.000 0.922 575 D HN 0.524 nan 8.370 nan 0.000 0.516 576 G N -0.595 108.301 108.800 0.160 0.000 2.176 576 G HA2 -0.247 3.686 3.960 -0.046 0.000 0.253 576 G HA3 -0.247 3.686 3.960 -0.046 0.000 0.253 576 G C -0.220 174.676 174.900 -0.006 0.000 0.979 576 G CA -0.111 45.035 45.100 0.077 0.000 0.641 576 G HN 0.285 nan 8.290 nan 0.000 0.530 577 F N 1.837 121.803 119.950 0.027 0.000 2.420 577 F HA 0.580 5.080 4.527 -0.045 0.000 0.342 577 F C 0.993 176.819 175.800 0.043 0.000 1.113 577 F CA -0.389 57.629 58.000 0.029 0.000 1.059 577 F CB 1.824 40.841 39.000 0.028 0.000 1.128 577 F HN -0.081 nan 8.300 nan 0.000 0.475 578 T N 4.754 119.396 114.554 0.147 0.000 2.851 578 T HA 0.408 4.730 4.350 -0.046 0.000 0.298 578 T C 0.168 174.992 174.700 0.208 0.000 0.977 578 T CA -0.357 61.821 62.100 0.130 0.000 1.126 578 T CB 0.269 69.182 68.868 0.075 0.000 0.916 578 T HN 0.422 nan 8.240 nan 0.000 0.529 579 R N 1.644 122.256 120.500 0.187 0.000 2.711 579 R HA 0.493 4.805 4.340 -0.046 0.000 0.284 579 R C -1.218 175.212 176.300 0.218 0.000 0.968 579 R CA -0.763 55.483 56.100 0.243 0.000 0.924 579 R CB 1.463 31.885 30.300 0.204 0.000 1.162 579 R HN 0.537 nan 8.270 nan 0.000 0.465 580 Y N 0.277 120.711 120.300 0.223 0.000 2.361 580 Y HA 0.526 5.048 4.550 -0.046 0.000 0.332 580 Y C 0.222 176.296 175.900 0.290 0.000 1.101 580 Y CA -0.459 57.803 58.100 0.271 0.000 1.137 580 Y CB 2.069 40.676 38.460 0.245 0.000 1.207 580 Y HN 0.637 nan 8.280 nan 0.000 0.463 581 A N 3.255 126.320 122.820 0.408 0.000 2.324 581 A HA 0.613 4.906 4.320 -0.046 0.000 0.330 581 A C -0.980 176.682 177.584 0.131 0.000 1.165 581 A CA -0.698 51.487 52.037 0.248 0.000 0.813 581 A CB 1.201 20.321 19.000 0.200 0.000 1.197 581 A HN 0.731 nan 8.150 nan 0.000 0.484 582 Q N 1.190 120.870 119.800 -0.200 0.000 2.353 582 Q HA 0.579 4.891 4.340 -0.046 0.000 0.268 582 Q C -0.386 174.951 176.000 -1.104 0.000 1.045 582 Q CA -0.620 54.684 55.803 -0.832 0.000 0.811 582 Q CB 2.018 30.230 28.738 -0.876 0.000 1.305 582 Q HN 0.928 nan 8.270 nan 0.000 0.447 583 G N 1.343 109.126 108.800 -1.696 0.000 2.416 583 G HA2 0.606 4.538 3.960 -0.046 0.000 0.329 583 G HA3 0.606 4.538 3.960 -0.046 0.000 0.329 583 G C -1.075 173.180 174.900 -1.075 0.000 1.173 583 G CA -0.263 43.842 45.100 -1.658 0.000 0.929 583 G HN 0.493 nan 8.290 nan 0.000 0.475 584 T N 0.775 115.002 114.554 -0.546 0.000 2.841 584 T HA 0.495 4.818 4.350 -0.046 0.000 0.285 584 T C -0.468 174.213 174.700 -0.031 0.000 0.991 584 T CA -0.296 61.659 62.100 -0.242 0.000 0.966 584 T CB 1.746 70.525 68.868 -0.147 0.000 0.962 584 T HN 0.354 nan 8.240 nan 0.000 0.438 585 V N 4.876 124.832 119.914 0.071 0.000 2.459 585 V HA 0.735 4.827 4.120 -0.046 0.000 0.295 585 V C 0.026 176.248 176.094 0.214 0.000 1.029 585 V CA -0.921 61.483 62.300 0.172 0.000 0.874 585 V CB 1.541 33.443 31.823 0.131 0.000 0.985 585 V HN 0.902 nan 8.190 nan 0.000 0.438 586 R N 4.641 125.309 120.500 0.280 0.000 2.740 586 R HA 0.677 4.990 4.340 -0.046 0.000 0.273 586 R C -3.224 173.318 176.300 0.404 0.000 0.998 586 R CA -1.944 54.346 56.100 0.315 0.000 0.900 586 R CB 2.473 32.938 30.300 0.275 0.000 1.223 586 R HN 0.401 nan 8.270 nan 0.000 0.466 587 P HA 0.223 nan 4.420 nan 0.000 0.274 587 P C 0.155 177.802 177.300 0.578 0.000 1.231 587 P CA 0.869 64.244 63.100 0.458 0.000 0.790 587 P CB 0.935 32.839 31.700 0.339 0.000 0.951 588 G N 0.301 109.369 108.800 0.447 0.000 2.795 588 G HA2 0.315 4.247 3.960 -0.046 0.000 0.664 588 G HA3 0.315 4.247 3.960 -0.046 0.000 0.664 588 G C -1.172 173.918 174.900 0.317 0.000 1.381 588 G CA -0.259 45.084 45.100 0.405 0.000 0.853 588 G HN 0.767 nan 8.290 nan 0.000 0.545 589 A N -1.184 121.781 122.820 0.243 0.000 2.547 589 A HA 1.020 5.313 4.320 -0.046 0.000 0.297 589 A C 0.674 178.332 177.584 0.124 0.000 1.056 589 A CA 0.721 52.847 52.037 0.148 0.000 0.688 589 A CB 1.119 20.161 19.000 0.070 0.000 1.282 589 A HN 2.566 nan 8.150 nan 0.000 0.400 590 A N 0.636 123.503 122.820 0.079 0.000 1.970 590 A HA 0.482 4.775 4.320 -0.046 0.000 0.216 590 A C 1.132 178.741 177.584 0.042 0.000 1.170 590 A CA 1.690 53.761 52.037 0.057 0.000 0.645 590 A CB -0.146 18.861 19.000 0.013 0.000 0.816 590 A HN 1.850 nan 8.150 nan 0.000 0.447 591 S N -1.335 114.375 115.700 0.017 0.000 2.566 591 S HA 0.558 5.000 4.470 -0.046 0.000 0.273 591 S C -1.525 173.055 174.600 -0.034 0.000 1.157 591 S CA -0.463 57.733 58.200 -0.006 0.000 0.938 591 S CB 1.559 64.735 63.200 -0.039 0.000 1.087 591 S HN 0.326 nan 8.310 nan 0.000 0.474 592 V N 4.307 124.196 119.914 -0.042 0.000 2.656 592 V HA 0.609 4.702 4.120 -0.046 0.000 0.307 592 V C -0.613 175.435 176.094 -0.077 0.000 1.051 592 V CA -0.873 61.355 62.300 -0.120 0.000 0.893 592 V CB 1.982 33.678 31.823 -0.211 0.000 0.999 592 V HN 0.871 nan 8.190 nan 0.000 0.426 593 N N 2.348 120.987 118.700 -0.102 0.000 2.790 593 N HA 0.298 5.011 4.740 -0.046 0.000 0.256 593 N C -1.060 174.403 175.510 -0.078 0.000 1.409 593 N CA 0.064 53.081 53.050 -0.054 0.000 0.799 593 N CB 1.387 39.859 38.487 -0.024 0.000 1.170 593 N HN 0.613 nan 8.380 nan 0.000 0.507 594 S N 0.452 116.117 115.700 -0.058 0.000 2.482 594 S HA 0.389 4.832 4.470 -0.046 0.000 0.303 594 S C 0.972 175.585 174.600 0.021 0.000 1.091 594 S CA -0.488 57.682 58.200 -0.050 0.000 1.057 594 S CB 0.760 63.911 63.200 -0.081 0.000 1.031 594 S HN 0.473 nan 8.310 nan 0.000 0.485 595 S N 4.414 120.116 115.700 0.004 0.000 2.558 595 S HA 0.316 4.759 4.470 -0.046 0.000 0.217 595 S C 0.359 174.977 174.600 0.030 0.000 0.975 595 S CA -0.188 58.022 58.200 0.016 0.000 0.912 595 S CB -0.447 62.754 63.200 0.002 0.000 0.776 595 S HN 0.598 nan 8.310 nan 0.000 0.526 596 L N 1.630 122.879 121.223 0.043 0.000 2.334 596 L HA 0.571 4.884 4.340 -0.046 0.000 0.272 596 L C -2.603 174.338 176.870 0.118 0.000 1.020 596 L CA -2.776 52.097 54.840 0.056 0.000 0.812 596 L CB 1.155 43.235 42.059 0.035 0.000 1.264 596 L HN -0.075 nan 8.230 nan 0.000 0.439 597 P HA 0.141 nan 4.420 nan 0.000 0.269 597 P C -1.660 175.729 177.300 0.149 0.000 1.215 597 P CA 0.161 63.298 63.100 0.061 0.000 0.780 597 P CB 0.331 32.030 31.700 -0.002 0.000 0.898 598 Y N -1.129 119.167 120.300 -0.008 0.000 2.609 598 Y HA 0.534 5.057 4.550 -0.046 0.000 0.336 598 Y C -1.008 174.896 175.900 0.006 0.000 1.129 598 Y CA -1.483 56.615 58.100 -0.003 0.000 1.040 598 Y CB 0.990 39.444 38.460 -0.011 0.000 1.310 598 Y HN 0.124 nan 8.280 nan 0.000 0.460 599 N N 1.421 120.181 118.700 0.100 0.000 2.420 599 N HA 0.316 5.029 4.740 -0.046 0.000 0.249 599 N C 0.547 176.142 175.510 0.143 0.000 1.033 599 N CA 0.536 53.602 53.050 0.026 0.000 0.944 599 N CB 1.786 40.307 38.487 0.058 0.000 1.113 599 N HN 0.994 nan 8.380 nan 0.000 0.502 600 A N 2.871 125.707 122.820 0.027 0.000 2.070 600 A HA -0.078 4.214 4.320 -0.046 0.000 0.220 600 A C 1.885 179.565 177.584 0.161 0.000 1.159 600 A CA 1.179 53.323 52.037 0.178 0.000 0.656 600 A CB -0.179 18.862 19.000 0.068 0.000 0.800 600 A HN 0.662 nan 8.150 nan 0.000 0.453 601 S N -0.394 115.367 115.700 0.101 0.000 2.555 601 S HA -0.072 4.370 4.470 -0.046 0.000 0.230 601 S C 1.467 176.148 174.600 0.135 0.000 0.978 601 S CA 0.906 59.162 58.200 0.092 0.000 0.934 601 S CB -0.073 63.158 63.200 0.051 0.000 0.766 601 S HN 0.747 nan 8.310 nan 0.000 0.533 602 Q N 0.642 120.548 119.800 0.176 0.000 2.219 602 Q HA 0.295 4.608 4.340 -0.046 0.000 0.209 602 Q C 0.333 176.511 176.000 0.298 0.000 0.854 602 Q CA -0.155 55.779 55.803 0.219 0.000 0.960 602 Q CB 0.246 29.099 28.738 0.191 0.000 1.116 602 Q HN 0.661 nan 8.270 nan 0.000 0.500 603 I N -1.269 119.464 120.570 0.272 0.000 2.581 603 I HA 0.538 4.680 4.170 -0.046 0.000 0.288 603 I C -0.440 175.907 176.117 0.383 0.000 1.047 603 I CA -0.917 60.531 61.300 0.246 0.000 1.374 603 I CB 0.522 38.618 38.000 0.159 0.000 1.423 603 I HN -0.116 nan 8.210 nan 0.000 0.549 604 F N 1.512 121.576 119.950 0.189 0.000 2.668 604 F HA 0.740 5.239 4.527 -0.046 0.000 0.309 604 F C -1.116 174.828 175.800 0.239 0.000 1.117 604 F CA -0.697 57.428 58.000 0.210 0.000 0.951 604 F CB 1.515 40.625 39.000 0.185 0.000 1.323 604 F HN 0.431 nan 8.300 nan 0.000 0.451 605 T N 3.207 117.988 114.554 0.378 0.000 2.829 605 T HA 0.648 4.970 4.350 -0.046 0.000 0.280 605 T C -0.556 174.346 174.700 0.337 0.000 0.999 605 T CA -0.477 61.768 62.100 0.243 0.000 0.983 605 T CB 1.429 70.406 68.868 0.182 0.000 0.968 605 T HN 0.556 nan 8.240 nan 0.000 0.446 606 I N 2.771 123.529 120.570 0.314 0.000 2.355 606 I HA 0.285 4.427 4.170 -0.046 0.000 0.288 606 I C 0.136 176.332 176.117 0.133 0.000 0.999 606 I CA -0.648 60.802 61.300 0.250 0.000 1.163 606 I CB 1.587 39.772 38.000 0.308 0.000 1.316 606 I HN 0.486 nan 8.210 nan 0.000 0.454 607 T N 5.993 120.565 114.554 0.030 0.000 2.744 607 T HA 0.432 4.755 4.350 -0.046 0.000 0.291 607 T C -0.058 174.539 174.700 -0.172 0.000 0.957 607 T CA -0.363 61.717 62.100 -0.033 0.000 1.002 607 T CB 1.473 70.325 68.868 -0.027 0.000 0.919 607 T HN 0.184 nan 8.240 nan 0.000 0.468 608 V N 5.602 125.438 119.914 -0.130 0.000 2.495 608 V HA 0.649 4.741 4.120 -0.046 0.000 0.298 608 V C -0.844 175.193 176.094 -0.094 0.000 1.031 608 V CA -0.900 61.281 62.300 -0.198 0.000 0.871 608 V CB 0.881 32.652 31.823 -0.085 0.000 0.988 608 V HN 0.873 nan 8.190 nan 0.000 0.432 609 Y N 3.442 123.670 120.300 -0.120 0.000 2.638 609 Y HA 0.853 5.376 4.550 -0.045 0.000 0.339 609 Y C -1.215 174.671 175.900 -0.023 0.000 1.084 609 Y CA -2.220 55.836 58.100 -0.073 0.000 1.068 609 Y CB 1.162 39.590 38.460 -0.052 0.000 1.294 609 Y HN 0.415 nan 8.280 nan 0.000 0.480 610 L N 1.959 123.377 121.223 0.325 0.000 2.352 610 L HA 0.716 5.028 4.340 -0.046 0.000 0.269 610 L C 0.418 177.459 176.870 0.286 0.000 1.034 610 L CA -0.202 54.800 54.840 0.270 0.000 0.806 610 L CB 1.938 44.083 42.059 0.142 0.000 1.244 610 L HN 1.059 nan 8.230 nan 0.000 0.447 611 S N -0.944 114.945 115.700 0.315 0.000 3.733 611 S HA 0.168 4.610 4.470 -0.046 0.000 0.178 611 S C 0.304 175.099 174.600 0.325 0.000 1.032 611 S CA -0.328 58.036 58.200 0.274 0.000 1.191 611 S CB 0.259 63.676 63.200 0.361 0.000 1.657 611 S HN 0.478 nan 8.310 nan 0.000 0.863 612 T N 1.956 116.694 114.554 0.307 0.000 2.933 612 T HA 0.442 4.764 4.350 -0.046 0.000 0.306 612 T C 1.364 176.212 174.700 0.246 0.000 1.045 612 T CA 1.402 63.639 62.100 0.228 0.000 1.143 612 T CB -0.043 68.916 68.868 0.153 0.000 1.003 612 T HN 1.679 nan 8.240 nan 0.000 0.540 613 G N 2.414 111.229 108.800 0.024 0.000 2.205 613 G HA2 -0.272 3.661 3.960 -0.046 0.000 0.261 613 G HA3 -0.272 3.661 3.960 -0.046 0.000 0.261 613 G C 0.365 175.366 174.900 0.169 0.000 0.980 613 G CA 0.230 45.399 45.100 0.116 0.000 0.632 613 G HN 1.064 nan 8.290 nan 0.000 0.533 614 I N -2.105 118.641 120.570 0.294 0.000 2.836 614 I HA 0.484 4.627 4.170 -0.046 0.000 0.285 614 I C 1.089 177.264 176.117 0.097 0.000 1.174 614 I CA -0.282 61.111 61.300 0.155 0.000 1.405 614 I CB 0.645 38.703 38.000 0.097 0.000 1.385 614 I HN -0.077 nan 8.210 nan 0.000 0.594 615 Q N 2.809 122.578 119.800 -0.052 0.000 2.317 615 Q HA 0.224 4.537 4.340 -0.046 0.000 0.220 615 Q C 0.385 176.316 176.000 -0.114 0.000 0.873 615 Q CA 0.143 55.865 55.803 -0.134 0.000 0.936 615 Q CB 0.423 29.034 28.738 -0.211 0.000 1.105 615 Q HN 0.804 nan 8.270 nan 0.000 0.520 616 S N 1.933 117.575 115.700 -0.097 0.000 2.549 616 S HA 0.225 4.668 4.470 -0.046 0.000 0.286 616 S C 0.207 174.714 174.600 -0.154 0.000 1.314 616 S CA 0.081 58.214 58.200 -0.112 0.000 1.062 616 S CB 0.614 63.754 63.200 -0.101 0.000 0.865 616 S HN 0.077 nan 8.310 nan 0.000 0.498 617 R N 1.164 121.576 120.500 -0.147 0.000 2.673 617 R HA 0.640 4.953 4.340 -0.046 0.000 0.281 617 R C 0.315 176.522 176.300 -0.155 0.000 0.991 617 R CA -0.611 55.394 56.100 -0.158 0.000 0.896 617 R CB 1.832 32.055 30.300 -0.128 0.000 1.201 617 R HN 0.750 nan 8.270 nan 0.000 0.457 618 G N 0.603 109.302 108.800 -0.167 0.000 3.212 618 G HA2 0.658 4.590 3.960 -0.046 0.000 0.188 618 G HA3 0.658 4.590 3.960 -0.046 0.000 0.188 618 G C -1.139 173.700 174.900 -0.103 0.000 1.254 618 G CA -0.455 44.555 45.100 -0.151 0.000 0.957 618 G HN 0.340 nan 8.290 nan 0.000 0.596 619 R N -0.589 119.858 120.500 -0.088 0.000 2.535 619 R HA 0.480 4.792 4.340 -0.046 0.000 0.274 619 R C -1.154 175.095 176.300 -0.085 0.000 1.090 619 R CA -0.612 55.442 56.100 -0.077 0.000 0.930 619 R CB 1.651 31.914 30.300 -0.063 0.000 1.223 619 R HN 0.689 nan 8.270 nan 0.000 0.441 620 I N 0.429 120.922 120.570 -0.128 0.000 2.797 620 I HA 0.964 5.106 4.170 -0.046 0.000 0.307 620 I C -0.218 175.879 176.117 -0.033 0.000 1.033 620 I CA -0.557 60.641 61.300 -0.171 0.000 1.071 620 I CB 2.444 40.092 38.000 -0.586 0.000 1.255 620 I HN 0.741 nan 8.210 nan 0.000 0.445 621 G N 4.108 112.950 108.800 0.071 0.000 2.562 621 G HA2 0.481 4.414 3.960 -0.046 0.000 0.190 621 G HA3 0.481 4.414 3.960 -0.046 0.000 0.190 621 G C -1.352 173.695 174.900 0.245 0.000 1.196 621 G CA -0.469 44.771 45.100 0.234 0.000 0.986 621 G HN 0.998 nan 8.290 nan 0.000 0.512 622 I N -0.662 119.998 120.570 0.150 0.000 2.785 622 I HA 0.745 4.888 4.170 -0.046 0.000 0.302 622 I C -1.018 175.102 176.117 0.004 0.000 1.069 622 I CA -1.125 60.234 61.300 0.099 0.000 1.045 622 I CB 2.458 40.544 38.000 0.143 0.000 1.236 622 I HN 0.585 nan 8.210 nan 0.000 0.429 623 D N 3.906 124.310 120.400 0.005 0.000 2.529 623 D HA 0.466 5.079 4.640 -0.046 0.000 0.273 623 D C 1.083 177.371 176.300 -0.020 0.000 1.197 623 D CA -0.371 53.618 54.000 -0.017 0.000 1.070 623 D CB 1.121 41.912 40.800 -0.015 0.000 1.134 623 D HN 0.676 nan 8.370 nan 0.000 0.590 624 A N -0.417 122.389 122.820 -0.023 0.000 2.024 624 A HA 0.075 4.368 4.320 -0.046 0.000 0.220 624 A C 2.005 179.582 177.584 -0.012 0.000 1.164 624 A CA 1.931 53.955 52.037 -0.021 0.000 0.643 624 A CB -1.214 17.775 19.000 -0.019 0.000 0.806 624 A HN 0.683 nan 8.150 nan 0.000 0.451 625 A N -1.059 121.755 122.820 -0.010 0.000 2.238 625 A HA 0.455 4.747 4.320 -0.046 0.000 0.208 625 A C 1.015 178.600 177.584 0.001 0.000 1.177 625 A CA 0.549 52.582 52.037 -0.006 0.000 0.804 625 A CB -0.708 18.286 19.000 -0.010 0.000 0.823 625 A HN 0.926 nan 8.150 nan 0.000 0.482 626 L N -1.823 119.404 121.223 0.007 0.000 4.089 626 L HA -0.223 4.089 4.340 -0.046 0.000 0.408 626 L C 0.154 177.042 176.870 0.029 0.000 1.184 626 L CA 0.218 55.072 54.840 0.025 0.000 0.947 626 L CB -1.881 40.193 42.059 0.025 0.000 2.066 626 L HN 0.501 nan 8.230 nan 0.000 0.851 627 R N 0.694 121.204 120.500 0.015 0.000 2.410 627 R HA 0.517 4.829 4.340 -0.046 0.000 0.288 627 R C 0.881 177.197 176.300 0.026 0.000 1.051 627 R CA 0.242 56.344 56.100 0.003 0.000 1.021 627 R CB 0.902 31.187 30.300 -0.026 0.000 1.032 627 R HN 0.153 nan 8.270 nan 0.000 0.481 628 G N 0.794 109.608 108.800 0.022 0.000 2.378 628 G HA2 0.248 4.181 3.960 -0.046 0.000 0.255 628 G HA3 0.248 4.181 3.960 -0.046 0.000 0.255 628 G C -0.399 174.490 174.900 -0.018 0.000 1.270 628 G CA 0.204 45.366 45.100 0.103 0.000 0.876 628 G HN 0.411 nan 8.290 nan 0.000 0.521 629 T N 0.316 114.945 114.554 0.126 0.000 2.843 629 T HA 0.404 4.726 4.350 -0.046 0.000 0.302 629 T C -0.758 174.030 174.700 0.146 0.000 1.232 629 T CA -0.431 61.690 62.100 0.036 0.000 1.009 629 T CB 1.677 70.545 68.868 0.000 0.000 1.254 629 T HN 0.360 nan 8.240 nan 0.000 0.504 630 V N 5.071 125.033 119.914 0.080 0.000 2.368 630 V HA 0.311 4.403 4.120 -0.046 0.000 0.266 630 V C 1.267 177.385 176.094 0.039 0.000 1.045 630 V CA -0.062 62.283 62.300 0.075 0.000 0.899 630 V CB 0.761 32.669 31.823 0.143 0.000 1.006 630 V HN 0.792 nan 8.190 nan 0.000 0.470 631 L N 3.264 124.492 121.223 0.008 0.000 2.127 631 L HA 0.112 4.425 4.340 -0.046 0.000 0.203 631 L C 0.775 177.637 176.870 -0.014 0.000 1.080 631 L CA 1.060 55.895 54.840 -0.008 0.000 0.768 631 L CB 0.040 42.083 42.059 -0.026 0.000 0.924 631 L HN 0.615 nan 8.230 nan 0.000 0.444 632 T N 0.652 115.187 114.554 -0.031 0.000 2.906 632 T HA 0.332 4.655 4.350 -0.046 0.000 0.302 632 T C -2.527 172.117 174.700 -0.093 0.000 1.002 632 T CA -1.180 60.892 62.100 -0.046 0.000 0.988 632 T CB 1.917 70.750 68.868 -0.058 0.000 0.972 632 T HN -0.229 nan 8.240 nan 0.000 0.447 633 P HA 0.109 nan 4.420 nan 0.000 0.264 633 P C -1.775 175.282 177.300 -0.405 0.000 1.193 633 P CA -1.036 61.922 63.100 -0.237 0.000 0.763 633 P CB 0.382 32.135 31.700 0.089 0.000 0.810 634 P HA 0.023 nan 4.420 nan 0.000 0.255 634 P C -0.469 176.498 177.300 -0.556 0.000 1.248 634 P CA 0.472 63.174 63.100 -0.663 0.000 0.807 634 P CB 0.426 31.692 31.700 -0.723 0.000 1.150 635 W N 1.726 123.000 121.300 -0.043 0.000 2.335 635 W HA 0.306 4.940 4.660 -0.043 0.000 0.306 635 W C 1.045 177.529 176.519 -0.058 0.000 1.216 635 W CA -0.555 56.746 57.345 -0.073 0.000 1.237 635 W CB 0.385 29.800 29.460 -0.076 0.000 1.243 635 W HN -0.131 nan 8.180 nan 0.000 0.493 636 L N 2.148 123.433 121.223 0.104 0.000 3.843 636 L HA -0.340 3.973 4.340 -0.046 0.000 0.411 636 L C 1.128 178.011 176.870 0.021 0.000 1.205 636 L CA -0.262 54.608 54.840 0.049 0.000 0.945 636 L CB -1.818 40.275 42.059 0.056 0.000 1.929 636 L HN 0.320 nan 8.230 nan 0.000 0.934 637 V N -1.429 118.479 119.914 -0.010 0.000 2.427 637 V HA -0.131 3.961 4.120 -0.046 0.000 0.248 637 V C 1.593 177.671 176.094 -0.026 0.000 1.051 637 V CA 2.120 64.404 62.300 -0.026 0.000 1.048 637 V CB -0.272 31.515 31.823 -0.060 0.000 0.666 637 V HN 0.655 nan 8.190 nan 0.000 0.456 638 N N 1.246 119.927 118.700 -0.032 0.000 2.422 638 N HA 0.081 4.794 4.740 -0.046 0.000 0.264 638 N C -1.634 173.867 175.510 -0.014 0.000 1.063 638 N CA -1.413 51.619 53.050 -0.030 0.000 0.959 638 N CB 2.167 40.626 38.487 -0.047 0.000 1.087 638 N HN 0.084 nan 8.380 nan 0.000 0.483 639 P HA -0.108 nan 4.420 nan 0.000 0.218 639 P C 1.421 178.723 177.300 0.004 0.000 1.149 639 P CA 0.800 63.900 63.100 -0.000 0.000 0.817 639 P CB 0.380 32.081 31.700 0.002 0.000 0.785 640 V N 0.930 120.846 119.914 0.005 0.000 2.515 640 V HA -0.182 3.911 4.120 -0.046 0.000 0.250 640 V C 2.167 178.268 176.094 0.012 0.000 1.058 640 V CA 2.065 64.375 62.300 0.015 0.000 1.064 640 V CB -1.369 30.470 31.823 0.026 0.000 0.675 640 V HN 0.044 nan 8.190 nan 0.000 0.461 641 D N 0.186 120.588 120.400 0.004 0.000 2.123 641 D HA -0.191 4.422 4.640 -0.046 0.000 0.196 641 D C 2.165 178.462 176.300 -0.005 0.000 0.992 641 D CA 1.424 55.427 54.000 0.006 0.000 0.833 641 D CB -0.171 40.630 40.800 0.003 0.000 0.954 641 D HN 0.410 nan 8.370 nan 0.000 0.455 642 K N -0.001 120.396 120.400 -0.005 0.000 2.057 642 K HA -0.087 4.205 4.320 -0.046 0.000 0.206 642 K C 1.913 178.506 176.600 -0.012 0.000 1.050 642 K CA 1.253 57.533 56.287 -0.011 0.000 0.935 642 K CB -0.001 32.497 32.500 -0.004 0.000 0.715 642 K HN -0.016 nan 8.250 nan 0.000 0.439 643 T N 0.709 115.262 114.554 -0.002 0.000 2.720 643 T HA -0.120 4.202 4.350 -0.046 0.000 0.268 643 T C 1.800 176.489 174.700 -0.018 0.000 1.037 643 T CA 1.495 63.597 62.100 0.004 0.000 1.144 643 T CB -0.102 68.775 68.868 0.015 0.000 0.864 643 T HN 0.006 nan 8.240 nan 0.000 0.444 644 V N 1.358 121.250 119.914 -0.037 0.000 2.427 644 V HA -0.061 4.031 4.120 -0.046 0.000 0.248 644 V C 2.347 178.316 176.094 -0.209 0.000 1.051 644 V CA 1.050 63.281 62.300 -0.115 0.000 1.048 644 V CB -0.612 31.171 31.823 -0.068 0.000 0.666 644 V HN 0.324 nan 8.190 nan 0.000 0.456 645 L N -0.295 120.856 121.223 -0.120 0.000 2.083 645 L HA -0.113 4.199 4.340 -0.046 0.000 0.209 645 L C 2.144 178.951 176.870 -0.105 0.000 1.083 645 L CA 1.833 56.601 54.840 -0.121 0.000 0.752 645 L CB -0.551 41.463 42.059 -0.076 0.000 0.899 645 L HN 0.195 nan 8.230 nan 0.000 0.433 646 L N -1.071 120.121 121.223 -0.051 0.000 2.093 646 L HA -0.201 4.111 4.340 -0.046 0.000 0.208 646 L C 2.622 179.551 176.870 0.098 0.000 1.085 646 L CA 1.200 56.053 54.840 0.021 0.000 0.755 646 L CB -0.454 41.653 42.059 0.080 0.000 0.904 646 L HN 0.355 nan 8.230 nan 0.000 0.435 647 Q N 0.126 119.941 119.800 0.025 0.000 2.084 647 Q HA -0.179 4.133 4.340 -0.046 0.000 0.202 647 Q C 2.191 178.177 176.000 -0.024 0.000 0.978 647 Q CA 2.100 57.927 55.803 0.040 0.000 0.844 647 Q CB -0.272 28.455 28.738 -0.019 0.000 0.898 647 Q HN 0.448 nan 8.270 nan 0.000 0.426 648 A N -0.058 122.583 122.820 -0.299 0.000 1.902 648 A HA -0.132 4.161 4.320 -0.046 0.000 0.217 648 A C 2.116 179.710 177.584 0.017 0.000 1.181 648 A CA 1.429 53.326 52.037 -0.234 0.000 0.623 648 A CB -0.757 18.017 19.000 -0.377 0.000 0.818 648 A HN 0.442 nan 8.150 nan 0.000 0.443 649 L N -1.522 119.689 121.223 -0.019 0.000 2.017 649 L HA -0.187 4.125 4.340 -0.046 0.000 0.208 649 L C 2.688 179.557 176.870 -0.002 0.000 1.073 649 L CA 1.348 56.178 54.840 -0.018 0.000 0.745 649 L CB -0.801 41.205 42.059 -0.088 0.000 0.894 649 L HN 0.462 nan 8.230 nan 0.000 0.432 650 H N 0.026 119.117 119.070 0.036 0.000 2.353 650 H HA -0.161 4.367 4.556 -0.046 0.000 0.300 650 H C 1.861 177.232 175.328 0.071 0.000 1.090 650 H CA 1.708 57.785 56.048 0.048 0.000 1.327 650 H CB -0.041 29.745 29.762 0.040 0.000 1.383 650 H HN 0.370 nan 8.280 nan 0.000 0.508 651 D N 0.164 120.701 120.400 0.227 0.000 2.117 651 D HA -0.106 4.506 4.640 -0.046 0.000 0.197 651 D C 2.428 178.812 176.300 0.141 0.000 0.987 651 D CA 0.475 54.596 54.000 0.202 0.000 0.829 651 D CB -0.330 40.642 40.800 0.288 0.000 0.961 651 D HN 0.108 nan 8.370 nan 0.000 0.460 652 V N 0.981 120.973 119.914 0.130 0.000 2.392 652 V HA -0.177 3.915 4.120 -0.046 0.000 0.249 652 V C 2.271 178.379 176.094 0.023 0.000 1.059 652 V CA 1.681 64.016 62.300 0.059 0.000 1.051 652 V CB -0.334 31.568 31.823 0.131 0.000 0.658 652 V HN 0.216 nan 8.190 nan 0.000 0.455 653 V N -1.707 118.251 119.914 0.075 0.000 3.444 653 V HA 0.151 4.244 4.120 -0.046 0.000 0.308 653 V C 2.088 178.223 176.094 0.068 0.000 1.371 653 V CA 0.732 63.082 62.300 0.082 0.000 1.141 653 V CB -0.225 31.662 31.823 0.106 0.000 1.037 653 V HN 0.538 nan 8.190 nan 0.000 0.433 654 S N 2.633 118.375 115.700 0.070 0.000 2.370 654 S HA -0.212 4.231 4.470 -0.046 0.000 0.226 654 S C 1.523 176.149 174.600 0.042 0.000 1.033 654 S CA 1.761 60.005 58.200 0.073 0.000 1.011 654 S CB -0.842 62.408 63.200 0.082 0.000 0.852 654 S HN 0.834 nan 8.310 nan 0.000 0.457 655 N N 0.880 119.590 118.700 0.016 0.000 2.321 655 N HA 0.205 4.918 4.740 -0.046 0.000 0.242 655 N C 0.953 176.456 175.510 -0.010 0.000 1.141 655 N CA -0.199 52.851 53.050 -0.001 0.000 0.864 655 N CB -0.373 38.105 38.487 -0.016 0.000 1.100 655 N HN 0.545 nan 8.380 nan 0.000 0.510 656 I N 0.390 120.965 120.570 0.008 0.000 2.264 656 I HA -0.141 4.001 4.170 -0.046 0.000 0.248 656 I C 1.864 177.998 176.117 0.029 0.000 1.111 656 I CA 1.312 62.625 61.300 0.020 0.000 1.382 656 I CB -0.186 37.856 38.000 0.071 0.000 1.060 656 I HN 0.258 nan 8.210 nan 0.000 0.418 657 G N -0.733 108.084 108.800 0.027 0.000 2.559 657 G HA2 -0.167 3.765 3.960 -0.046 0.000 0.216 657 G HA3 -0.167 3.765 3.960 -0.046 0.000 0.216 657 G C 1.489 176.400 174.900 0.019 0.000 1.126 657 G CA 0.778 45.894 45.100 0.026 0.000 0.778 657 G HN 0.462 nan 8.290 nan 0.000 0.543 658 S N 0.011 115.716 115.700 0.009 0.000 2.548 658 S HA 0.259 4.702 4.470 -0.046 0.000 0.215 658 S C 0.434 175.034 174.600 0.001 0.000 0.976 658 S CA -0.110 58.091 58.200 0.002 0.000 0.908 658 S CB 0.301 63.496 63.200 -0.008 0.000 0.781 658 S HN 0.135 nan 8.310 nan 0.000 0.519 659 I N 3.421 123.995 120.570 0.007 0.000 2.330 659 I HA 0.364 4.507 4.170 -0.046 0.000 0.286 659 I C -2.852 173.311 176.117 0.076 0.000 1.025 659 I CA -3.346 57.965 61.300 0.019 0.000 1.197 659 I CB 0.272 38.262 38.000 -0.017 0.000 1.358 659 I HN -0.190 nan 8.210 nan 0.000 0.467 660 P HA 0.257 nan 4.420 nan 0.000 0.267 660 P C 0.961 178.333 177.300 0.121 0.000 1.205 660 P CA 0.525 63.674 63.100 0.083 0.000 0.765 660 P CB 0.793 32.531 31.700 0.063 0.000 0.828 661 G N 1.993 110.815 108.800 0.037 0.000 2.195 661 G HA2 -0.241 3.692 3.960 -0.046 0.000 0.246 661 G HA3 -0.241 3.692 3.960 -0.046 0.000 0.246 661 G C -0.244 174.688 174.900 0.054 0.000 0.984 661 G CA -0.235 44.809 45.100 -0.093 0.000 0.633 661 G HN 0.580 nan 8.290 nan 0.000 0.525 662 L N 2.779 124.136 121.223 0.222 0.000 2.265 662 L HA 0.754 5.066 4.340 -0.046 0.000 0.288 662 L C 0.039 177.019 176.870 0.182 0.000 1.058 662 L CA 0.103 55.105 54.840 0.271 0.000 0.809 662 L CB 1.297 43.494 42.059 0.229 0.000 1.179 662 L HN 0.114 nan 8.230 nan 0.000 0.429 663 T N 5.983 120.650 114.554 0.189 0.000 2.841 663 T HA 0.437 4.760 4.350 -0.046 0.000 0.283 663 T C -0.431 174.334 174.700 0.108 0.000 1.000 663 T CA -0.432 61.738 62.100 0.116 0.000 0.977 663 T CB 1.490 70.389 68.868 0.052 0.000 0.979 663 T HN 0.668 nan 8.240 nan 0.000 0.446 664 M N 4.540 124.132 119.600 -0.013 0.000 2.113 664 M HA 0.445 4.898 4.480 -0.046 0.000 0.352 664 M C 0.591 176.683 176.300 -0.346 0.000 1.170 664 M CA -0.541 54.536 55.300 -0.372 0.000 1.053 664 M CB 0.227 32.578 32.600 -0.414 0.000 1.601 664 M HN 0.805 nan 8.290 nan 0.000 0.459 665 I N 0.323 120.631 120.570 -0.436 0.000 3.941 665 I HA 0.345 4.487 4.170 -0.046 0.000 0.321 665 I C -0.455 175.424 176.117 -0.397 0.000 1.284 665 I CA 0.029 61.112 61.300 -0.361 0.000 1.226 665 I CB 0.726 38.498 38.000 -0.380 0.000 1.045 665 I HN 0.503 nan 8.210 nan 0.000 0.420 666 T N 4.462 118.717 114.554 -0.498 0.000 3.335 666 T HA 0.357 4.680 4.350 -0.046 0.000 0.321 666 T C -2.839 171.425 174.700 -0.727 0.000 0.960 666 T CA -0.768 61.041 62.100 -0.485 0.000 1.034 666 T CB 2.063 70.735 68.868 -0.328 0.000 1.040 666 T HN 0.012 nan 8.240 nan 0.000 0.454 667 P HA 0.212 nan 4.420 nan 0.000 0.271 667 P C -0.528 176.527 177.300 -0.407 0.000 1.218 667 P CA -0.260 62.435 63.100 -0.674 0.000 0.780 667 P CB 0.699 31.963 31.700 -0.726 0.000 0.901 668 D N 0.867 121.110 120.400 -0.263 0.000 2.414 668 D HA -0.017 4.595 4.640 -0.046 0.000 0.251 668 D C 1.395 177.613 176.300 -0.136 0.000 1.252 668 D CA -0.613 53.275 54.000 -0.186 0.000 0.999 668 D CB -0.452 40.272 40.800 -0.127 0.000 1.093 668 D HN 0.169 nan 8.370 nan 0.000 0.515 669 V N -2.705 117.153 119.914 -0.093 0.000 2.828 669 V HA -0.186 3.906 4.120 -0.046 0.000 0.260 669 V C 1.857 177.925 176.094 -0.043 0.000 1.101 669 V CA 2.139 64.403 62.300 -0.060 0.000 1.123 669 V CB -1.920 29.881 31.823 -0.037 0.000 0.704 669 V HN 0.814 nan 8.190 nan 0.000 0.493 670 T N -2.710 111.818 114.554 -0.042 0.000 3.100 670 T HA 0.063 4.385 4.350 -0.046 0.000 0.253 670 T C 0.761 175.449 174.700 -0.019 0.000 1.118 670 T CA 0.559 62.645 62.100 -0.024 0.000 1.058 670 T CB -0.125 68.733 68.868 -0.018 0.000 0.953 670 T HN 0.675 nan 8.240 nan 0.000 0.515 671 Q N 2.203 121.982 119.800 -0.035 0.000 2.310 671 Q HA 0.420 4.732 4.340 -0.046 0.000 0.270 671 Q C -0.527 175.455 176.000 -0.029 0.000 1.025 671 Q CA -0.699 55.094 55.803 -0.017 0.000 0.772 671 Q CB 1.877 30.608 28.738 -0.012 0.000 1.253 671 Q HN 0.494 nan 8.270 nan 0.000 0.450 672 T N 0.116 114.673 114.554 0.006 0.000 2.828 672 T HA 0.218 4.540 4.350 -0.046 0.000 0.290 672 T C 1.404 176.110 174.700 0.010 0.000 1.019 672 T CA -0.563 61.543 62.100 0.011 0.000 1.031 672 T CB 0.569 69.468 68.868 0.053 0.000 1.001 672 T HN 0.703 nan 8.240 nan 0.000 0.531 673 L N 0.294 121.488 121.223 -0.049 0.000 2.083 673 L HA -0.092 4.220 4.340 -0.046 0.000 0.209 673 L C 2.909 179.805 176.870 0.043 0.000 1.083 673 L CA 1.483 56.285 54.840 -0.064 0.000 0.752 673 L CB -0.595 41.258 42.059 -0.344 0.000 0.899 673 L HN 0.716 nan 8.230 nan 0.000 0.433 674 E N 0.214 120.450 120.200 0.060 0.000 2.051 674 E HA -0.221 4.101 4.350 -0.046 0.000 0.192 674 E C 2.083 178.725 176.600 0.070 0.000 0.991 674 E CA 1.234 57.679 56.400 0.075 0.000 0.799 674 E CB -0.113 29.642 29.700 0.092 0.000 0.748 674 E HN 0.439 nan 8.360 nan 0.000 0.449 675 E N -0.671 119.576 120.200 0.078 0.000 2.110 675 E HA -0.217 4.105 4.350 -0.046 0.000 0.193 675 E C 1.807 178.479 176.600 0.118 0.000 0.988 675 E CA 0.960 57.407 56.400 0.079 0.000 0.804 675 E CB -0.216 29.525 29.700 0.067 0.000 0.745 675 E HN 0.272 nan 8.360 nan 0.000 0.458 676 Y N 1.264 121.564 120.300 -0.000 0.000 2.114 676 Y HA -0.237 4.285 4.550 -0.045 0.000 0.284 676 Y C 2.167 178.115 175.900 0.080 0.000 1.143 676 Y CA 1.074 59.190 58.100 0.027 0.000 1.135 676 Y CB -0.509 37.947 38.460 -0.006 0.000 0.980 676 Y HN -0.188 nan 8.280 nan 0.000 0.499 677 V N 0.540 120.459 119.914 0.008 0.000 2.407 677 V HA -0.287 3.805 4.120 -0.046 0.000 0.248 677 V C 2.004 178.068 176.094 -0.049 0.000 1.055 677 V CA 2.243 64.471 62.300 -0.118 0.000 1.049 677 V CB -0.622 31.146 31.823 -0.092 0.000 0.662 677 V HN 0.381 nan 8.190 nan 0.000 0.455 678 D N 0.255 120.654 120.400 -0.001 0.000 2.224 678 D HA -0.029 4.583 4.640 -0.046 0.000 0.205 678 D C 2.015 178.319 176.300 0.007 0.000 0.965 678 D CA 1.449 55.453 54.000 0.008 0.000 0.852 678 D CB -0.016 40.795 40.800 0.019 0.000 0.947 678 D HN 0.479 nan 8.370 nan 0.000 0.494 679 A N -0.508 122.314 122.820 0.003 0.000 2.218 679 A HA -0.020 4.273 4.320 -0.046 0.000 0.209 679 A C 0.570 178.124 177.584 -0.050 0.000 1.168 679 A CA -0.246 51.782 52.037 -0.015 0.000 0.804 679 A CB -0.348 18.649 19.000 -0.004 0.000 0.834 679 A HN 0.130 nan 8.150 nan 0.000 0.482 680 Y N 1.261 121.430 120.300 -0.218 0.000 2.511 680 Y HA 0.194 4.716 4.550 -0.046 0.000 0.332 680 Y C 0.357 176.147 175.900 -0.183 0.000 1.177 680 Y CA -0.536 57.396 58.100 -0.280 0.000 1.422 680 Y CB 0.423 38.652 38.460 -0.385 0.000 1.271 680 Y HN 0.235 nan 8.280 nan 0.000 0.550 681 D N 7.546 127.843 120.400 -0.173 0.000 2.358 681 D HA 0.083 4.696 4.640 -0.046 0.000 0.258 681 D C -1.892 174.393 176.300 -0.026 0.000 1.223 681 D CA -1.998 51.940 54.000 -0.103 0.000 0.886 681 D CB 1.507 42.200 40.800 -0.178 0.000 1.120 681 D HN 0.330 nan 8.370 nan 0.000 0.482 682 P HA -0.161 nan 4.420 nan 0.000 0.216 682 P C 0.964 178.141 177.300 -0.205 0.000 1.153 682 P CA 1.728 64.843 63.100 0.024 0.000 0.858 682 P CB 0.138 31.947 31.700 0.182 0.000 0.789 683 A N -0.550 122.201 122.820 -0.115 0.000 2.019 683 A HA -0.172 4.120 4.320 -0.046 0.000 0.219 683 A C 2.084 179.442 177.584 -0.375 0.000 1.164 683 A CA 2.241 54.162 52.037 -0.193 0.000 0.644 683 A CB -1.875 17.109 19.000 -0.027 0.000 0.805 683 A HN 0.368 nan 8.150 nan 0.000 0.449 684 T N -3.226 111.158 114.554 -0.284 0.000 3.148 684 T HA 0.131 4.454 4.350 -0.046 0.000 0.253 684 T C 1.502 176.063 174.700 -0.233 0.000 1.134 684 T CA 0.880 62.843 62.100 -0.229 0.000 1.051 684 T CB -0.374 68.362 68.868 -0.221 0.000 0.959 684 T HN 0.399 nan 8.240 nan 0.000 0.525 685 M N 1.105 120.397 119.600 -0.514 0.000 2.562 685 M HA 0.150 4.602 4.480 -0.046 0.000 0.257 685 M C 0.877 176.620 176.300 -0.928 0.000 1.099 685 M CA -0.058 54.824 55.300 -0.698 0.000 1.099 685 M CB -0.407 31.680 32.600 -0.854 0.000 1.427 685 M HN 0.161 nan 8.290 nan 0.000 0.489 686 N N 1.054 119.157 118.700 -0.996 0.000 2.359 686 N HA -0.042 4.671 4.740 -0.046 0.000 0.261 686 N C 0.089 175.456 175.510 -0.239 0.000 1.267 686 N CA 0.517 53.301 53.050 -0.444 0.000 0.864 686 N CB 0.759 39.198 38.487 -0.080 0.000 1.063 686 N HN -0.013 nan 8.380 nan 0.000 0.474 687 S N 2.604 118.153 115.700 -0.253 0.000 2.540 687 S HA 0.098 4.540 4.470 -0.046 0.000 0.218 687 S C -0.050 174.295 174.600 -0.425 0.000 0.977 687 S CA -0.429 57.542 58.200 -0.381 0.000 0.918 687 S CB -0.158 62.680 63.200 -0.604 0.000 0.806 687 S HN 0.759 nan 8.310 nan 0.000 0.496 688 N N 1.577 120.188 118.700 -0.148 0.000 2.747 688 N HA -0.194 4.518 4.740 -0.046 0.000 0.249 688 N C -0.566 175.069 175.510 0.208 0.000 1.107 688 N CA 0.708 53.849 53.050 0.151 0.000 0.707 688 N CB -2.016 36.652 38.487 0.301 0.000 1.054 688 N HN 0.677 nan 8.380 nan 0.000 0.555 689 H N -1.928 117.052 119.070 -0.150 0.000 2.467 689 H HA 0.125 4.653 4.556 -0.046 0.000 0.275 689 H C -0.180 175.079 175.328 -0.115 0.000 1.131 689 H CA -0.901 55.099 56.048 -0.080 0.000 0.989 689 H CB 0.003 29.679 29.762 -0.143 0.000 1.696 689 H HN 0.186 nan 8.280 nan 0.000 0.574 690 W N 2.886 124.310 121.300 0.206 0.000 2.385 690 W HA 0.128 4.760 4.660 -0.045 0.000 0.336 690 W C 0.510 177.036 176.519 0.010 0.000 1.351 690 W CA -0.087 57.306 57.345 0.079 0.000 1.295 690 W CB 0.094 29.601 29.460 0.079 0.000 1.239 690 W HN -0.019 nan 8.180 nan 0.000 0.565 691 V N -0.343 119.645 119.914 0.124 0.000 3.160 691 V HA 0.726 4.818 4.120 -0.046 0.000 0.310 691 V C 0.346 176.414 176.094 -0.044 0.000 1.181 691 V CA -0.781 61.530 62.300 0.019 0.000 1.047 691 V CB 1.737 33.529 31.823 -0.051 0.000 1.068 691 V HN 0.755 nan 8.190 nan 0.000 0.441 692 S N -0.493 115.147 115.700 -0.100 0.000 2.765 692 S HA -0.234 4.209 4.470 -0.046 0.000 0.266 692 S C 1.377 175.904 174.600 -0.122 0.000 1.302 692 S CA 1.596 59.709 58.200 -0.143 0.000 1.274 692 S CB -2.147 60.951 63.200 -0.169 0.000 1.559 692 S HN 2.086 nan 8.310 nan 0.000 0.658 693 S N 0.952 116.586 115.700 -0.109 0.000 2.474 693 S HA 0.043 4.486 4.470 -0.046 0.000 0.235 693 S C 1.032 175.561 174.600 -0.119 0.000 0.997 693 S CA 1.177 59.299 58.200 -0.129 0.000 0.949 693 S CB -0.512 62.569 63.200 -0.198 0.000 0.766 693 S HN 1.172 nan 8.310 nan 0.000 0.517 694 T N -0.937 113.549 114.554 -0.114 0.000 3.585 694 T HA 0.354 4.676 4.350 -0.046 0.000 0.252 694 T C -0.244 174.391 174.700 -0.108 0.000 1.382 694 T CA -0.509 61.533 62.100 -0.097 0.000 1.584 694 T CB 0.288 69.099 68.868 -0.096 0.000 0.892 694 T HN 0.101 nan 8.240 nan 0.000 0.671 695 T N 2.144 116.626 114.554 -0.119 0.000 2.932 695 T HA 0.379 4.702 4.350 -0.046 0.000 0.312 695 T C 0.518 175.115 174.700 -0.171 0.000 1.071 695 T CA -0.494 61.499 62.100 -0.178 0.000 1.128 695 T CB -0.006 68.751 68.868 -0.184 0.000 0.984 695 T HN 0.635 nan 8.240 nan 0.000 0.549 696 I N 3.204 123.603 120.570 -0.284 0.000 2.836 696 I HA 0.520 4.662 4.170 -0.046 0.000 0.285 696 I C 0.789 176.797 176.117 -0.181 0.000 1.174 696 I CA 0.944 62.079 61.300 -0.275 0.000 1.405 696 I CB 0.147 37.860 38.000 -0.479 0.000 1.385 696 I HN 0.871 nan 8.210 nan 0.000 0.594 697 G N 2.873 111.647 108.800 -0.044 0.000 2.340 697 G HA2 0.192 4.125 3.960 -0.046 0.000 0.299 697 G HA3 0.192 4.125 3.960 -0.046 0.000 0.299 697 G C -0.297 174.715 174.900 0.186 0.000 1.291 697 G CA 0.168 45.294 45.100 0.044 0.000 0.841 697 G HN 0.625 nan 8.290 nan 0.000 0.500 698 S N -1.776 114.015 115.700 0.152 0.000 2.511 698 S HA 0.529 4.972 4.470 -0.046 0.000 0.214 698 S C 0.817 175.485 174.600 0.113 0.000 0.997 698 S CA 1.011 59.318 58.200 0.178 0.000 0.908 698 S CB 0.359 63.618 63.200 0.098 0.000 0.803 698 S HN 1.569 nan 8.310 nan 0.000 0.504 699 S N 1.382 117.041 115.700 -0.067 0.000 2.536 699 S HA 0.534 4.977 4.470 -0.046 0.000 0.271 699 S C -2.643 171.530 174.600 -0.711 0.000 1.134 699 S CA -1.373 56.572 58.200 -0.424 0.000 0.897 699 S CB 1.911 64.986 63.200 -0.209 0.000 1.094 699 S HN -0.027 nan 8.310 nan 0.000 0.473 700 P HA -0.111 nan 4.420 nan 0.000 0.234 700 P C 1.087 178.224 177.300 -0.272 0.000 1.167 700 P CA 0.704 63.401 63.100 -0.671 0.000 0.763 700 P CB -0.136 31.222 31.700 -0.570 0.000 0.835 701 Q N 0.774 120.435 119.800 -0.232 0.000 2.297 701 Q HA -0.054 4.259 4.340 -0.046 0.000 0.204 701 Q C 1.277 177.223 176.000 -0.090 0.000 0.962 701 Q CA 1.821 57.548 55.803 -0.126 0.000 0.879 701 Q CB -0.429 28.247 28.738 -0.102 0.000 0.947 701 Q HN 0.270 nan 8.270 nan 0.000 0.462 702 S N -1.840 113.804 115.700 -0.093 0.000 2.817 702 S HA 0.671 5.113 4.470 -0.046 0.000 0.262 702 S C 0.064 174.645 174.600 -0.031 0.000 1.051 702 S CA -0.221 57.945 58.200 -0.056 0.000 1.185 702 S CB 1.233 64.403 63.200 -0.050 0.000 1.152 702 S HN 0.468 nan 8.310 nan 0.000 0.653 703 A N 0.313 123.133 122.820 0.001 0.000 2.594 703 A HA 0.820 5.113 4.320 -0.046 0.000 0.291 703 A C 0.302 178.018 177.584 0.220 0.000 1.105 703 A CA -0.479 51.614 52.037 0.093 0.000 0.694 703 A CB 0.935 20.034 19.000 0.164 0.000 1.291 703 A HN 0.274 nan 8.150 nan 0.000 0.410 704 V N -0.076 119.941 119.914 0.172 0.000 2.795 704 V HA 0.159 4.252 4.120 -0.046 0.000 0.243 704 V C 0.719 176.842 176.094 0.048 0.000 1.069 704 V CA 1.379 63.773 62.300 0.158 0.000 1.089 704 V CB 0.408 32.244 31.823 0.022 0.000 0.756 704 V HN 1.150 nan 8.190 nan 0.000 0.471 705 V N -0.859 118.976 119.914 -0.132 0.000 2.914 705 V HA 0.749 4.842 4.120 -0.046 0.000 0.314 705 V C -0.778 174.981 176.094 -0.559 0.000 1.084 705 V CA -0.900 61.132 62.300 -0.447 0.000 0.963 705 V CB 2.008 33.690 31.823 -0.235 0.000 1.025 705 V HN 0.391 nan 8.190 nan 0.000 0.432 706 D N 1.772 121.739 120.400 -0.721 0.000 2.507 706 D HA 0.288 4.901 4.640 -0.046 0.000 0.280 706 D C 1.367 177.632 176.300 -0.057 0.000 1.219 706 D CA 0.184 53.962 54.000 -0.370 0.000 1.085 706 D CB 0.651 41.221 40.800 -0.383 0.000 1.134 706 D HN 0.813 nan 8.370 nan 0.000 0.583 707 S N -1.407 114.355 115.700 0.104 0.000 2.507 707 S HA -0.103 4.340 4.470 -0.046 0.000 0.235 707 S C 0.599 175.484 174.600 0.475 0.000 0.988 707 S CA 0.202 58.590 58.200 0.315 0.000 0.944 707 S CB -0.604 62.816 63.200 0.367 0.000 0.762 707 S HN 0.457 nan 8.310 nan 0.000 0.526 708 N N 1.851 120.725 118.700 0.290 0.000 2.273 708 N HA 0.158 4.871 4.740 -0.046 0.000 0.231 708 N C 0.760 176.502 175.510 0.387 0.000 1.134 708 N CA 0.677 53.927 53.050 0.334 0.000 0.856 708 N CB 0.900 39.558 38.487 0.286 0.000 1.068 708 N HN 0.587 nan 8.380 nan 0.000 0.510 709 V N -1.990 118.092 119.914 0.279 0.000 3.669 709 V HA -0.322 3.771 4.120 -0.046 0.000 0.202 709 V C 0.294 176.455 176.094 0.112 0.000 0.483 709 V CA 1.237 63.649 62.300 0.186 0.000 1.003 709 V CB -2.422 29.562 31.823 0.269 0.000 1.111 709 V HN 0.346 nan 8.190 nan 0.000 1.168 710 K N 0.430 120.758 120.400 -0.121 0.000 2.234 710 K HA 0.617 4.909 4.320 -0.046 0.000 0.282 710 K C 0.117 176.410 176.600 -0.511 0.000 1.039 710 K CA -0.465 55.477 56.287 -0.574 0.000 0.928 710 K CB 1.666 33.814 32.500 -0.587 0.000 1.039 710 K HN 0.420 nan 8.250 nan 0.000 0.470 711 V N 5.950 125.602 119.914 -0.436 0.000 2.540 711 V HA -0.024 4.068 4.120 -0.046 0.000 0.297 711 V C 0.195 176.147 176.094 -0.236 0.000 1.024 711 V CA 0.051 62.179 62.300 -0.286 0.000 1.105 711 V CB -0.530 31.197 31.823 -0.160 0.000 0.938 711 V HN 0.558 nan 8.190 nan 0.000 0.482 712 F N 3.370 123.277 119.950 -0.072 0.000 2.629 712 F HA 0.398 4.898 4.527 -0.045 0.000 0.377 712 F C 1.592 177.369 175.800 -0.038 0.000 1.101 712 F CA 1.383 59.355 58.000 -0.048 0.000 1.301 712 F CB -0.025 38.958 39.000 -0.028 0.000 1.062 712 F HN 0.790 nan 8.300 nan 0.000 0.583 713 G N 1.121 110.026 108.800 0.174 0.000 2.179 713 G HA2 -0.242 3.690 3.960 -0.046 0.000 0.260 713 G HA3 -0.242 3.690 3.960 -0.046 0.000 0.260 713 G C 0.170 175.097 174.900 0.045 0.000 0.977 713 G CA 0.245 45.404 45.100 0.098 0.000 0.641 713 G HN 1.049 nan 8.290 nan 0.000 0.533 714 T N -2.822 111.730 114.554 -0.002 0.000 2.932 714 T HA 0.671 4.993 4.350 -0.046 0.000 0.289 714 T C 0.944 175.606 174.700 -0.064 0.000 1.039 714 T CA -0.063 62.015 62.100 -0.037 0.000 1.024 714 T CB 1.729 70.550 68.868 -0.079 0.000 1.090 714 T HN -0.089 nan 8.240 nan 0.000 0.496 715 N N 1.387 120.065 118.700 -0.037 0.000 2.395 715 N HA 0.031 4.743 4.740 -0.046 0.000 0.175 715 N C 0.695 176.185 175.510 -0.033 0.000 1.029 715 N CA 0.639 53.679 53.050 -0.017 0.000 0.897 715 N CB -0.093 38.408 38.487 0.023 0.000 0.991 715 N HN 0.858 nan 8.380 nan 0.000 0.441 716 N N -0.452 118.214 118.700 -0.057 0.000 2.361 716 N HA 0.047 4.760 4.740 -0.046 0.000 0.253 716 N C -0.989 174.557 175.510 0.060 0.000 1.413 716 N CA -0.250 52.844 53.050 0.074 0.000 0.821 716 N CB -0.364 38.207 38.487 0.140 0.000 1.380 716 N HN -0.027 nan 8.380 nan 0.000 0.493 717 L N 0.898 121.983 121.223 -0.230 0.000 2.313 717 L HA 0.736 5.048 4.340 -0.046 0.000 0.283 717 L C -1.539 175.095 176.870 -0.394 0.000 1.013 717 L CA -0.428 54.337 54.840 -0.125 0.000 0.816 717 L CB 0.701 42.713 42.059 -0.078 0.000 1.236 717 L HN -0.007 nan 8.230 nan 0.000 0.419 718 F N 4.628 124.600 119.950 0.037 0.000 2.611 718 F HA 0.660 5.162 4.527 -0.042 0.000 0.324 718 F C -0.301 175.512 175.800 0.023 0.000 1.061 718 F CA -0.697 57.322 58.000 0.032 0.000 0.954 718 F CB 1.738 40.783 39.000 0.075 0.000 1.301 718 F HN 0.162 nan 8.300 nan 0.000 0.482 719 I N 1.947 122.633 120.570 0.193 0.000 2.466 719 I HA 0.501 4.644 4.170 -0.046 0.000 0.289 719 I C -1.300 174.893 176.117 0.126 0.000 1.026 719 I CA -0.887 60.479 61.300 0.109 0.000 1.078 719 I CB 2.100 40.116 38.000 0.027 0.000 1.249 719 I HN 0.177 nan 8.210 nan 0.000 0.429 720 V N 4.831 124.808 119.914 0.105 0.000 2.380 720 V HA 0.402 4.495 4.120 -0.046 0.000 0.268 720 V C -1.078 175.062 176.094 0.077 0.000 1.008 720 V CA -0.337 62.024 62.300 0.101 0.000 0.823 720 V CB 0.692 32.565 31.823 0.083 0.000 1.053 720 V HN 0.945 nan 8.190 nan 0.000 0.446 721 D N 2.926 123.372 120.400 0.077 0.000 2.713 721 D HA 0.479 5.091 4.640 -0.046 0.000 0.306 721 D C 0.867 177.210 176.300 0.073 0.000 1.299 721 D CA 0.020 54.064 54.000 0.073 0.000 0.823 721 D CB 1.395 42.232 40.800 0.062 0.000 1.353 721 D HN 0.211 nan 8.370 nan 0.000 0.447 722 A N -0.132 122.738 122.820 0.084 0.000 2.024 722 A HA 0.125 4.418 4.320 -0.046 0.000 0.220 722 A C 2.047 179.646 177.584 0.026 0.000 1.164 722 A CA 2.241 54.327 52.037 0.082 0.000 0.643 722 A CB -1.560 17.513 19.000 0.121 0.000 0.806 722 A HN 0.749 nan 8.150 nan 0.000 0.451 723 G N 1.026 109.826 108.800 0.001 0.000 2.475 723 G HA2 -0.272 3.660 3.960 -0.046 0.000 0.220 723 G HA3 -0.272 3.660 3.960 -0.046 0.000 0.220 723 G C 1.472 176.315 174.900 -0.095 0.000 1.125 723 G CA 1.263 46.330 45.100 -0.055 0.000 0.755 723 G HN 0.943 nan 8.290 nan 0.000 0.565 724 I N -1.383 119.137 120.570 -0.084 0.000 2.676 724 I HA 0.236 4.379 4.170 -0.046 0.000 0.259 724 I C 0.839 176.765 176.117 -0.318 0.000 1.194 724 I CA -0.012 61.190 61.300 -0.163 0.000 1.473 724 I CB -0.136 37.802 38.000 -0.103 0.000 1.096 724 I HN -0.086 nan 8.210 nan 0.000 0.443 725 I N 4.307 124.739 120.570 -0.229 0.000 2.587 725 I HA 0.050 4.193 4.170 -0.046 0.000 0.284 725 I C -1.148 174.698 176.117 -0.452 0.000 1.134 725 I CA -1.014 60.077 61.300 -0.350 0.000 1.410 725 I CB 0.474 38.435 38.000 -0.065 0.000 1.392 725 I HN 0.060 nan 8.210 nan 0.000 0.545 726 P HA -0.073 nan 4.420 nan 0.000 0.240 726 P C 0.080 177.226 177.300 -0.256 0.000 1.190 726 P CA 1.189 63.989 63.100 -0.500 0.000 0.781 726 P CB 0.435 31.730 31.700 -0.676 0.000 0.931 727 H N -0.836 118.062 119.070 -0.286 0.000 3.079 727 H HA 0.272 4.800 4.556 -0.046 0.000 0.356 727 H C -0.671 174.591 175.328 -0.111 0.000 1.221 727 H CA -0.760 55.191 56.048 -0.161 0.000 1.185 727 H CB 1.125 30.820 29.762 -0.113 0.000 1.882 727 H HN -0.223 nan 8.280 nan 0.000 0.543 728 L N 5.428 126.505 121.223 -0.243 0.000 2.525 728 L HA 0.080 4.393 4.340 -0.046 0.000 0.278 728 L C -1.717 175.261 176.870 0.181 0.000 1.218 728 L CA -1.021 53.804 54.840 -0.024 0.000 0.878 728 L CB 0.189 42.193 42.059 -0.091 0.000 1.127 728 L HN 0.437 nan 8.230 nan 0.000 0.492 729 P HA 0.163 nan 4.420 nan 0.000 0.293 729 P C 0.260 177.594 177.300 0.056 0.000 1.304 729 P CA -0.481 62.642 63.100 0.039 0.000 0.767 729 P CB 0.638 32.332 31.700 -0.010 0.000 1.247 730 T N -1.452 113.074 114.554 -0.046 0.000 2.777 730 T HA 0.039 4.362 4.350 -0.046 0.000 0.266 730 T C 1.223 176.014 174.700 0.151 0.000 1.040 730 T CA 1.627 63.683 62.100 -0.074 0.000 1.141 730 T CB -0.747 67.850 68.868 -0.451 0.000 0.868 730 T HN 0.627 nan 8.240 nan 0.000 0.444 731 G N 0.778 109.636 108.800 0.097 0.000 2.613 731 G HA2 0.483 4.415 3.960 -0.046 0.000 0.303 731 G HA3 0.483 4.415 3.960 -0.046 0.000 0.303 731 G C -0.700 174.441 174.900 0.402 0.000 1.312 731 G CA -1.026 44.261 45.100 0.311 0.000 1.036 731 G HN 0.259 nan 8.290 nan 0.000 0.513 732 N N 1.187 120.243 118.700 0.593 0.000 2.293 732 N HA 0.074 4.787 4.740 -0.046 0.000 0.253 732 N C -1.518 174.047 175.510 0.091 0.000 1.248 732 N CA -0.351 52.826 53.050 0.213 0.000 0.845 732 N CB 1.087 39.795 38.487 0.368 0.000 1.073 732 N HN 0.237 nan 8.380 nan 0.000 0.464 733 P HA -0.131 nan 4.420 nan 0.000 0.240 733 P C 0.774 178.114 177.300 0.067 0.000 1.190 733 P CA 0.722 63.804 63.100 -0.030 0.000 0.781 733 P CB 0.249 31.896 31.700 -0.088 0.000 0.931 734 Q N 0.374 120.226 119.800 0.085 0.000 2.096 734 Q HA -0.122 4.191 4.340 -0.046 0.000 0.204 734 Q C 2.219 178.343 176.000 0.206 0.000 0.982 734 Q CA 2.179 58.069 55.803 0.144 0.000 0.850 734 Q CB -1.714 27.110 28.738 0.144 0.000 0.901 734 Q HN 0.111 nan 8.270 nan 0.000 0.422 735 G N 0.487 109.422 108.800 0.225 0.000 2.440 735 G HA2 -0.259 3.674 3.960 -0.046 0.000 0.218 735 G HA3 -0.259 3.674 3.960 -0.046 0.000 0.218 735 G C 1.384 176.425 174.900 0.235 0.000 1.154 735 G CA 1.298 46.543 45.100 0.241 0.000 0.767 735 G HN 0.435 nan 8.290 nan 0.000 0.552 736 T N 1.008 115.679 114.554 0.196 0.000 2.708 736 T HA -0.114 4.208 4.350 -0.046 0.000 0.266 736 T C 2.239 177.110 174.700 0.285 0.000 1.037 736 T CA 1.186 63.419 62.100 0.221 0.000 1.146 736 T CB -0.254 68.663 68.868 0.082 0.000 0.865 736 T HN 0.137 nan 8.240 nan 0.000 0.435 737 L N 0.922 122.274 121.223 0.216 0.000 2.042 737 L HA 0.022 4.335 4.340 -0.046 0.000 0.210 737 L C 2.267 179.259 176.870 0.202 0.000 1.076 737 L CA 1.798 56.765 54.840 0.212 0.000 0.749 737 L CB -0.651 41.502 42.059 0.157 0.000 0.893 737 L HN 0.264 nan 8.230 nan 0.000 0.432 738 M N -1.689 118.022 119.600 0.185 0.000 2.175 738 M HA -0.165 4.287 4.480 -0.046 0.000 0.264 738 M C 2.473 178.859 176.300 0.143 0.000 1.063 738 M CA 1.678 57.055 55.300 0.127 0.000 1.119 738 M CB -0.420 32.274 32.600 0.156 0.000 1.377 738 M HN 0.449 nan 8.290 nan 0.000 0.415 739 S N 0.548 116.378 115.700 0.217 0.000 2.368 739 S HA -0.106 4.337 4.470 -0.046 0.000 0.225 739 S C 1.991 176.674 174.600 0.138 0.000 1.030 739 S CA 1.389 59.697 58.200 0.178 0.000 0.999 739 S CB -0.125 63.192 63.200 0.196 0.000 0.844 739 S HN 0.490 nan 8.310 nan 0.000 0.459 740 A N 1.156 124.171 122.820 0.326 0.000 1.972 740 A HA 0.210 4.502 4.320 -0.046 0.000 0.219 740 A C 2.423 180.174 177.584 0.278 0.000 1.169 740 A CA 1.802 54.095 52.037 0.428 0.000 0.635 740 A CB -1.237 18.133 19.000 0.617 0.000 0.810 740 A HN 0.760 nan 8.150 nan 0.000 0.446 741 A N -0.473 122.441 122.820 0.158 0.000 1.898 741 A HA -0.109 4.183 4.320 -0.046 0.000 0.216 741 A C 1.953 179.517 177.584 -0.034 0.000 1.181 741 A CA 1.473 53.546 52.037 0.059 0.000 0.620 741 A CB -0.390 18.603 19.000 -0.012 0.000 0.819 741 A HN 0.470 nan 8.150 nan 0.000 0.442 742 E N -0.396 119.780 120.200 -0.040 0.000 2.058 742 E HA -0.272 4.050 4.350 -0.046 0.000 0.194 742 E C 2.163 178.606 176.600 -0.263 0.000 0.997 742 E CA 1.689 58.062 56.400 -0.045 0.000 0.801 742 E CB -0.331 29.430 29.700 0.102 0.000 0.746 742 E HN 0.844 nan 8.360 nan 0.000 0.450 743 Q N 0.289 119.759 119.800 -0.549 0.000 2.079 743 Q HA -0.115 4.198 4.340 -0.046 0.000 0.200 743 Q C 2.094 177.621 176.000 -0.788 0.000 0.974 743 Q CA 1.549 56.577 55.803 -1.291 0.000 0.840 743 Q CB -0.106 27.718 28.738 -1.524 0.000 0.898 743 Q HN 0.228 nan 8.270 nan 0.000 0.430 744 A N 0.747 123.410 122.820 -0.262 0.000 1.908 744 A HA -0.179 4.114 4.320 -0.046 0.000 0.218 744 A C 2.299 179.827 177.584 -0.094 0.000 1.181 744 A CA 1.822 53.883 52.037 0.041 0.000 0.627 744 A CB -1.153 18.013 19.000 0.276 0.000 0.818 744 A HN 0.567 nan 8.150 nan 0.000 0.445 745 A N -0.312 122.425 122.820 -0.138 0.000 1.933 745 A HA 0.142 4.434 4.320 -0.046 0.000 0.218 745 A C 2.479 179.965 177.584 -0.164 0.000 1.175 745 A CA 2.150 54.092 52.037 -0.159 0.000 0.628 745 A CB -0.925 17.990 19.000 -0.142 0.000 0.814 745 A HN 1.066 nan 8.150 nan 0.000 0.444 746 A N -0.277 122.429 122.820 -0.190 0.000 1.898 746 A HA -0.098 4.195 4.320 -0.046 0.000 0.216 746 A C 2.087 179.584 177.584 -0.145 0.000 1.181 746 A CA 1.597 53.551 52.037 -0.139 0.000 0.620 746 A CB -0.313 18.633 19.000 -0.090 0.000 0.819 746 A HN 0.367 nan 8.150 nan 0.000 0.442 747 K N -0.027 120.249 120.400 -0.207 0.000 2.057 747 K HA -0.064 4.229 4.320 -0.046 0.000 0.207 747 K C 1.841 178.419 176.600 -0.036 0.000 1.049 747 K CA 1.342 57.562 56.287 -0.111 0.000 0.931 747 K CB -0.621 31.837 32.500 -0.069 0.000 0.714 747 K HN 0.603 nan 8.250 nan 0.000 0.440 748 I N 1.107 121.629 120.570 -0.080 0.000 2.179 748 I HA -0.271 3.871 4.170 -0.046 0.000 0.242 748 I C 2.367 178.428 176.117 -0.093 0.000 1.088 748 I CA 1.057 62.265 61.300 -0.153 0.000 1.357 748 I CB -0.281 37.522 38.000 -0.329 0.000 1.051 748 I HN 0.028 nan 8.210 nan 0.000 0.409 749 L N 0.369 121.538 121.223 -0.090 0.000 2.141 749 L HA -0.163 4.150 4.340 -0.046 0.000 0.209 749 L C 2.613 179.479 176.870 -0.006 0.000 1.094 749 L CA 1.149 55.965 54.840 -0.040 0.000 0.763 749 L CB -0.515 41.507 42.059 -0.061 0.000 0.908 749 L HN 0.242 nan 8.230 nan 0.000 0.437 750 A N -0.626 122.186 122.820 -0.013 0.000 2.167 750 A HA 0.011 4.303 4.320 -0.046 0.000 0.214 750 A C 0.942 178.544 177.584 0.031 0.000 1.151 750 A CA 0.067 52.106 52.037 0.005 0.000 0.735 750 A CB -0.243 18.753 19.000 -0.007 0.000 0.802 750 A HN 0.210 nan 8.150 nan 0.000 0.467 751 L N 1.106 122.357 121.223 0.047 0.000 2.315 751 L HA 0.567 4.880 4.340 -0.046 0.000 0.283 751 L C 0.565 177.483 176.870 0.081 0.000 1.089 751 L CA -0.492 54.398 54.840 0.084 0.000 0.833 751 L CB 0.133 42.278 42.059 0.143 0.000 1.170 751 L HN 0.264 nan 8.230 nan 0.000 0.442 752 A N 3.962 126.826 122.820 0.073 0.000 2.466 752 A HA 0.479 4.771 4.320 -0.046 0.000 0.238 752 A C 1.306 178.934 177.584 0.073 0.000 1.074 752 A CA 0.371 52.446 52.037 0.063 0.000 0.774 752 A CB -0.365 18.667 19.000 0.053 0.000 1.015 752 A HN 1.936 nan 8.150 nan 0.000 0.498 753 G N 0.404 109.240 108.800 0.060 0.000 2.141 753 G HA2 0.073 4.005 3.960 -0.046 0.000 0.231 753 G HA3 0.073 4.005 3.960 -0.046 0.000 0.231 753 G C 0.789 175.723 174.900 0.057 0.000 0.984 753 G CA 0.498 45.633 45.100 0.058 0.000 0.660 753 G HN 1.859 nan 8.290 nan 0.000 0.525 754 G N 0.006 108.840 108.800 0.057 0.000 2.557 754 G HA2 0.764 4.697 3.960 -0.046 0.000 0.292 754 G HA3 0.764 4.697 3.960 -0.046 0.000 0.292 754 G C -1.343 173.563 174.900 0.010 0.000 1.237 754 G CA -0.384 44.737 45.100 0.036 0.000 0.978 754 G HN 0.313 nan 8.290 nan 0.000 0.498 755 P HA 0.000 nan 4.420 nan 0.000 0.216 755 P CA 0.000 63.081 63.100 -0.031 0.000 0.800 755 P CB 0.000 31.621 31.700 -0.131 0.000 0.726