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 2db3_1_A DATA FIRST_RESID 202 DATA SEQUENCE YIPPEPSNDA IEIFSSGIAS GIHFSKYNNI PVKVTGSDVP QPIQHFTSAD DATA SEQUENCE LRDIIIDNVN KSGYKIPTPI QKCSIPVISS GRDLMACAQT GSGKTAAFLL DATA SEQUENCE PILSKLLEDP HELELGRPQV VIVSPTRELA IQIFNEARKF AFESYLKIGI DATA SEQUENCE VYGGTSFRHQ NECITRGCHV VIATPGRLLD FVDRTFITFE DTRFVVLDEA DATA SEQUENCE DRMLDMGFSE DMRRIMTHVT MRPEHQTLMF SATFPEEIQR MAGEFLKNYV DATA SEQUENCE FVAIGIVGGA CSDVKQTIYE VNKYAKRSKL IEILSEQADG TIVFVETKRG DATA SEQUENCE ADFLASFLSE KEFPTTSIHG DRLQSQREQA LRDFKNGSMK VLIATSVASR DATA SEQUENCE GLDIKNIKHV INYDMPSKID DYVHRIGRTG RVGNNGRATS FFDPEKDRAI DATA SEQUENCE AADLVKILEG SGQTVPDFLR 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 202 Y HA 0.000 nan 4.550 nan 0.000 0.201 202 Y C 0.000 175.864 175.900 -0.059 0.000 1.272 202 Y CA 0.000 58.083 58.100 -0.028 0.000 1.940 202 Y CB 0.000 38.450 38.460 -0.016 0.000 1.050 203 I N 3.557 123.845 120.570 -0.469 0.000 7.874 203 I HA -0.170 4.000 4.170 -0.000 0.000 0.126 203 I C -2.566 172.909 176.117 -1.069 0.000 1.833 203 I CA 0.466 61.371 61.300 -0.659 0.000 2.070 203 I CB -0.633 37.082 38.000 -0.474 0.000 3.702 203 I HN 0.185 nan 8.210 nan 0.000 0.179 204 P HA 0.215 nan 4.420 nan 0.000 0.274 204 P C -2.251 174.850 177.300 -0.332 0.000 1.231 204 P CA -0.972 61.633 63.100 -0.825 0.000 0.790 204 P CB 0.015 31.563 31.700 -0.254 0.000 0.951 205 P HA 0.107 nan 4.420 nan 0.000 0.264 205 P C -0.012 177.301 177.300 0.021 0.000 1.193 205 P CA 0.408 63.482 63.100 -0.043 0.000 0.763 205 P CB 0.408 32.122 31.700 0.024 0.000 0.810 206 E N 4.213 124.432 120.200 0.032 0.000 2.373 206 E HA 0.169 4.519 4.350 -0.000 0.000 0.267 206 E C -1.655 175.007 176.600 0.104 0.000 1.032 206 E CA -1.472 54.987 56.400 0.099 0.000 0.889 206 E CB -0.111 29.646 29.700 0.094 0.000 0.984 206 E HN 0.382 nan 8.360 nan 0.000 0.425 207 P HA 0.038 nan 4.420 nan 0.000 0.276 207 P C -0.626 176.718 177.300 0.073 0.000 1.243 207 P CA -0.362 62.812 63.100 0.123 0.000 0.768 207 P CB 1.387 33.200 31.700 0.188 0.000 0.856 208 S N 3.029 118.756 115.700 0.045 0.000 2.596 208 S HA 0.073 4.543 4.470 -0.000 0.000 0.260 208 S C 0.911 175.535 174.600 0.040 0.000 1.336 208 S CA -0.268 57.954 58.200 0.037 0.000 0.993 208 S CB 0.019 63.233 63.200 0.023 0.000 0.923 208 S HN 0.448 nan 8.310 nan 0.000 0.567 209 N N 0.699 119.437 118.700 0.063 0.000 2.184 209 N HA 0.126 4.866 4.740 -0.000 0.000 0.206 209 N C -1.064 174.539 175.510 0.155 0.000 1.151 209 N CA -0.148 52.974 53.050 0.120 0.000 0.878 209 N CB 0.144 38.706 38.487 0.124 0.000 1.014 209 N HN 0.612 nan 8.380 nan 0.000 0.512 210 D N 1.259 121.704 120.400 0.074 0.000 2.371 210 D HA 0.107 4.747 4.640 -0.000 0.000 0.256 210 D C 1.084 177.373 176.300 -0.018 0.000 1.193 210 D CA -0.012 54.022 54.000 0.055 0.000 0.881 210 D CB 1.595 42.409 40.800 0.024 0.000 1.143 210 D HN 0.080 nan 8.370 nan 0.000 0.473 211 A N 3.439 126.231 122.820 -0.047 0.000 2.139 211 A HA -0.185 4.134 4.320 -0.000 0.000 0.221 211 A C 1.958 179.472 177.584 -0.117 0.000 1.159 211 A CA 0.735 52.610 52.037 -0.269 0.000 0.662 211 A CB -0.479 18.345 19.000 -0.294 0.000 0.796 211 A HN 0.732 nan 8.150 nan 0.000 0.463 212 I N -1.085 119.443 120.570 -0.070 0.000 2.406 212 I HA -0.172 3.998 4.170 -0.000 0.000 0.249 212 I C 2.152 178.253 176.117 -0.026 0.000 1.122 212 I CA 1.499 62.771 61.300 -0.048 0.000 1.431 212 I CB -0.086 37.891 38.000 -0.038 0.000 1.087 212 I HN 0.436 nan 8.210 nan 0.000 0.424 213 E N 0.791 120.969 120.200 -0.038 0.000 2.060 213 E HA -0.093 4.257 4.350 -0.000 0.000 0.189 213 E C 2.222 178.764 176.600 -0.097 0.000 0.974 213 E CA 1.041 57.412 56.400 -0.048 0.000 0.808 213 E CB -0.005 29.674 29.700 -0.035 0.000 0.768 213 E HN 0.471 nan 8.360 nan 0.000 0.453 214 I N 0.419 120.904 120.570 -0.143 0.000 2.423 214 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 214 I C 1.098 176.926 176.117 -0.483 0.000 1.151 214 I CA 1.203 62.313 61.300 -0.317 0.000 1.421 214 I CB -0.018 37.723 38.000 -0.431 0.000 1.079 214 I HN 0.049 nan 8.210 nan 0.000 0.431 215 F N -0.219 119.537 119.950 -0.322 0.000 2.647 215 F HA 0.088 4.615 4.527 -0.000 0.000 0.300 215 F C 2.160 177.845 175.800 -0.191 0.000 1.106 215 F CA -0.067 57.762 58.000 -0.285 0.000 1.313 215 F CB -0.133 38.688 39.000 -0.299 0.000 1.007 215 F HN -0.024 nan 8.300 nan 0.000 0.536 216 S N -1.518 114.154 115.700 -0.046 0.000 2.528 216 S HA 0.012 4.481 4.470 -0.000 0.000 0.219 216 S C 0.881 175.451 174.600 -0.049 0.000 0.985 216 S CA 0.067 58.247 58.200 -0.034 0.000 0.914 216 S CB -0.568 62.612 63.200 -0.033 0.000 0.776 216 S HN 0.160 nan 8.310 nan 0.000 0.526 217 S N 0.747 116.387 115.700 -0.099 0.000 2.452 217 S HA 0.752 5.222 4.470 -0.000 0.000 0.284 217 S C 0.171 174.722 174.600 -0.081 0.000 1.171 217 S CA -0.169 57.977 58.200 -0.091 0.000 1.064 217 S CB 0.710 63.831 63.200 -0.131 0.000 0.967 217 S HN 1.174 nan 8.310 nan 0.000 0.484 218 G N 1.936 110.724 108.800 -0.019 0.000 2.329 218 G HA2 0.298 4.258 3.960 -0.000 0.000 0.308 218 G HA3 0.298 4.258 3.960 -0.000 0.000 0.308 218 G C -1.440 173.493 174.900 0.054 0.000 1.587 218 G CA -1.121 43.995 45.100 0.027 0.000 0.978 218 G HN 0.776 nan 8.290 nan 0.000 0.685 219 I N 1.104 121.723 120.570 0.081 0.000 2.441 219 I HA 0.610 4.780 4.170 -0.000 0.000 0.295 219 I C 0.923 177.093 176.117 0.088 0.000 0.994 219 I CA -0.962 60.385 61.300 0.078 0.000 1.144 219 I CB 2.007 40.057 38.000 0.084 0.000 1.314 219 I HN 0.836 nan 8.210 nan 0.000 0.445 220 A N 4.437 127.296 122.820 0.065 0.000 2.401 220 A HA 0.390 4.710 4.320 -0.000 0.000 0.259 220 A C 0.532 178.142 177.584 0.043 0.000 1.103 220 A CA -0.365 51.700 52.037 0.047 0.000 0.789 220 A CB 0.214 19.230 19.000 0.026 0.000 1.035 220 A HN 0.831 nan 8.150 nan 0.000 0.491 221 S N 2.383 118.080 115.700 -0.005 0.000 2.558 221 S HA 0.365 4.835 4.470 -0.000 0.000 0.293 221 S C 0.670 175.300 174.600 0.049 0.000 1.292 221 S CA -0.064 58.139 58.200 0.004 0.000 1.063 221 S CB 0.292 63.231 63.200 -0.435 0.000 0.831 221 S HN 1.411 nan 8.310 nan 0.000 0.499 222 G N 1.255 110.146 108.800 0.152 0.000 2.557 222 G HA2 0.474 4.434 3.960 -0.000 0.000 0.292 222 G HA3 0.474 4.434 3.960 -0.000 0.000 0.292 222 G C 0.840 175.770 174.900 0.050 0.000 1.237 222 G CA -1.016 44.132 45.100 0.080 0.000 0.978 222 G HN 0.787 nan 8.290 nan 0.000 0.498 223 I N -0.163 120.361 120.570 -0.077 0.000 2.567 223 I HA -0.122 4.048 4.170 -0.000 0.000 0.257 223 I C 1.442 177.460 176.117 -0.165 0.000 1.184 223 I CA 0.788 61.995 61.300 -0.156 0.000 1.451 223 I CB -0.105 37.726 38.000 -0.283 0.000 1.089 223 I HN 0.406 nan 8.210 nan 0.000 0.441 224 H N -0.805 118.274 119.070 0.016 0.000 2.526 224 H HA 0.061 4.617 4.556 -0.000 0.000 0.274 224 H C 1.610 176.869 175.328 -0.116 0.000 0.999 224 H CA -0.052 55.962 56.048 -0.055 0.000 1.157 224 H CB -0.064 29.632 29.762 -0.110 0.000 1.407 224 H HN 0.265 nan 8.280 nan 0.000 0.568 225 F N 2.619 122.534 119.950 -0.058 0.000 2.091 225 F HA -0.323 4.204 4.527 -0.000 0.000 0.299 225 F C 2.586 178.380 175.800 -0.010 0.000 1.103 225 F CA 1.826 59.794 58.000 -0.053 0.000 1.228 225 F CB -0.072 38.975 39.000 0.078 0.000 0.984 225 F HN 0.170 nan 8.300 nan 0.000 0.477 226 S N -0.489 115.318 115.700 0.178 0.000 2.400 226 S HA -0.268 4.202 4.470 -0.000 0.000 0.232 226 S C 1.940 176.540 174.600 0.001 0.000 1.025 226 S CA 1.359 59.627 58.200 0.113 0.000 0.993 226 S CB -0.774 62.495 63.200 0.116 0.000 0.808 226 S HN 0.489 nan 8.310 nan 0.000 0.478 227 K N -0.235 120.122 120.400 -0.072 0.000 2.360 227 K HA -0.070 4.250 4.320 -0.000 0.000 0.201 227 K C 1.522 178.041 176.600 -0.134 0.000 1.046 227 K CA 1.038 57.258 56.287 -0.111 0.000 0.940 227 K CB -0.331 32.076 32.500 -0.155 0.000 0.748 227 K HN 0.429 nan 8.250 nan 0.000 0.465 228 Y N 2.008 122.214 120.300 -0.155 0.000 2.114 228 Y HA -0.268 4.282 4.550 -0.000 0.000 0.282 228 Y C 1.982 177.802 175.900 -0.135 0.000 1.165 228 Y CA 1.513 59.494 58.100 -0.199 0.000 1.148 228 Y CB -0.668 37.572 38.460 -0.366 0.000 0.972 228 Y HN 0.315 nan 8.280 nan 0.000 0.504 229 N N -0.173 118.561 118.700 0.056 0.000 2.520 229 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 229 N C 0.750 176.264 175.510 0.006 0.000 1.068 229 N CA 1.144 54.203 53.050 0.015 0.000 0.911 229 N CB -0.682 37.808 38.487 0.004 0.000 0.961 229 N HN 0.411 nan 8.380 nan 0.000 0.446 230 N N 0.388 119.089 118.700 0.002 0.000 2.521 230 N HA 0.185 4.925 4.740 -0.000 0.000 0.188 230 N C -0.098 175.408 175.510 -0.006 0.000 1.146 230 N CA 0.160 53.206 53.050 -0.007 0.000 0.893 230 N CB 0.228 38.703 38.487 -0.019 0.000 0.975 230 N HN 0.291 nan 8.380 nan 0.000 0.451 231 I N 1.515 122.088 120.570 0.005 0.000 2.342 231 I HA 0.223 4.392 4.170 -0.000 0.000 0.291 231 I C -2.050 174.068 176.117 0.002 0.000 1.010 231 I CA -2.147 59.157 61.300 0.008 0.000 1.308 231 I CB 1.024 39.043 38.000 0.033 0.000 1.400 231 I HN -0.213 nan 8.210 nan 0.000 0.488 232 P HA 0.058 nan 4.420 nan 0.000 0.265 232 P C -0.842 176.456 177.300 -0.003 0.000 1.193 232 P CA -0.008 63.092 63.100 -0.000 0.000 0.765 232 P CB 0.557 32.260 31.700 0.005 0.000 0.823 233 V N 3.948 123.857 119.914 -0.007 0.000 2.555 233 V HA 0.441 4.561 4.120 -0.000 0.000 0.302 233 V C 0.108 176.200 176.094 -0.002 0.000 1.038 233 V CA -0.456 61.834 62.300 -0.016 0.000 0.887 233 V CB 1.756 33.561 31.823 -0.030 0.000 0.991 233 V HN 0.447 nan 8.190 nan 0.000 0.434 234 K N 3.398 123.799 120.400 0.003 0.000 2.397 234 K HA 0.808 5.128 4.320 -0.000 0.000 0.253 234 K C -1.962 174.662 176.600 0.039 0.000 0.932 234 K CA -0.447 55.866 56.287 0.044 0.000 0.795 234 K CB 2.178 34.743 32.500 0.109 0.000 1.159 234 K HN 0.476 nan 8.250 nan 0.000 0.424 235 V N 2.793 122.739 119.914 0.054 0.000 2.709 235 V HA 0.475 4.595 4.120 -0.000 0.000 0.308 235 V C -0.837 175.309 176.094 0.086 0.000 1.062 235 V CA -0.650 61.681 62.300 0.052 0.000 0.901 235 V CB 2.233 34.059 31.823 0.005 0.000 1.003 235 V HN 0.919 nan 8.190 nan 0.000 0.425 236 T N 2.410 117.039 114.554 0.126 0.000 2.893 236 T HA 0.907 5.257 4.350 -0.000 0.000 0.293 236 T C -0.019 174.676 174.700 -0.007 0.000 1.027 236 T CA -0.031 62.103 62.100 0.056 0.000 0.988 236 T CB 1.799 70.698 68.868 0.052 0.000 1.043 236 T HN 1.486 nan 8.240 nan 0.000 0.461 237 G N 1.047 109.810 108.800 -0.061 0.000 2.351 237 G HA2 0.306 4.265 3.960 -0.000 0.000 0.353 237 G HA3 0.306 4.265 3.960 -0.000 0.000 0.353 237 G C -1.085 173.778 174.900 -0.061 0.000 1.358 237 G CA -1.025 44.021 45.100 -0.090 0.000 0.995 237 G HN 0.726 nan 8.290 nan 0.000 0.611 238 S N 1.214 116.878 115.700 -0.061 0.000 2.554 238 S HA 0.494 4.964 4.470 -0.000 0.000 0.278 238 S C 0.284 174.869 174.600 -0.025 0.000 1.242 238 S CA 0.358 58.533 58.200 -0.042 0.000 1.051 238 S CB 1.258 64.432 63.200 -0.044 0.000 0.986 238 S HN 1.652 nan 8.310 nan 0.000 0.502 239 D N 0.615 121.005 120.400 -0.018 0.000 2.982 239 D HA -0.184 4.456 4.640 -0.000 0.000 0.207 239 D C -0.692 175.606 176.300 -0.004 0.000 1.258 239 D CA 0.255 54.249 54.000 -0.009 0.000 0.758 239 D CB -1.543 39.253 40.800 -0.006 0.000 0.886 239 D HN 0.141 nan 8.370 nan 0.000 0.389 240 V N 2.737 122.649 119.914 -0.004 0.000 2.385 240 V HA 0.256 4.376 4.120 -0.000 0.000 0.269 240 V C -1.019 175.078 176.094 0.004 0.000 1.043 240 V CA -1.311 60.990 62.300 0.002 0.000 0.906 240 V CB 0.868 32.691 31.823 -0.001 0.000 0.995 240 V HN 0.421 nan 8.190 nan 0.000 0.467 241 P HA 0.012 nan 4.420 nan 0.000 0.266 241 P C -0.311 176.992 177.300 0.005 0.000 1.186 241 P CA -0.128 62.980 63.100 0.012 0.000 0.767 241 P CB 0.568 32.281 31.700 0.021 0.000 0.820 242 Q N 1.819 121.621 119.800 0.003 0.000 2.421 242 Q HA 0.176 4.516 4.340 -0.000 0.000 0.255 242 Q C -2.006 173.988 176.000 -0.010 0.000 1.013 242 Q CA -1.176 54.624 55.803 -0.005 0.000 0.895 242 Q CB -0.690 28.046 28.738 -0.004 0.000 1.271 242 Q HN 0.365 nan 8.270 nan 0.000 0.460 243 P HA 0.104 nan 4.420 nan 0.000 0.276 243 P C -0.455 176.813 177.300 -0.052 0.000 1.243 243 P CA -0.347 62.729 63.100 -0.040 0.000 0.768 243 P CB 0.243 31.912 31.700 -0.052 0.000 0.856 244 I N 0.135 120.669 120.570 -0.059 0.000 2.779 244 I HA 0.163 4.333 4.170 -0.000 0.000 0.285 244 I C 0.883 176.908 176.117 -0.154 0.000 1.134 244 I CA 0.438 61.694 61.300 -0.073 0.000 1.398 244 I CB 0.391 38.361 38.000 -0.051 0.000 1.404 244 I HN 0.210 nan 8.210 nan 0.000 0.587 245 Q N 1.946 121.629 119.800 -0.194 0.000 2.246 245 Q HA 0.288 4.628 4.340 -0.000 0.000 0.222 245 Q C -0.511 175.018 176.000 -0.785 0.000 0.851 245 Q CA 0.422 55.975 55.803 -0.418 0.000 0.945 245 Q CB 0.339 28.848 28.738 -0.382 0.000 1.122 245 Q HN 0.729 nan 8.270 nan 0.000 0.508 246 H N -1.500 117.480 119.070 -0.151 0.000 3.012 246 H HA 0.183 4.739 4.556 -0.000 0.000 0.367 246 H C 0.089 175.336 175.328 -0.135 0.000 1.211 246 H CA -0.643 55.311 56.048 -0.158 0.000 1.139 246 H CB 0.941 30.683 29.762 -0.034 0.000 1.838 246 H HN -0.126 nan 8.280 nan 0.000 0.550 247 F N 0.954 120.997 119.950 0.154 0.000 2.293 247 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 247 F C 2.429 178.276 175.800 0.078 0.000 1.086 247 F CA 1.464 59.517 58.000 0.090 0.000 1.375 247 F CB -0.198 38.854 39.000 0.088 0.000 1.045 247 F HN 0.479 nan 8.300 nan 0.000 0.516 248 T N -3.500 111.211 114.554 0.261 0.000 3.219 248 T HA 0.106 4.456 4.350 -0.000 0.000 0.249 248 T C 0.800 175.569 174.700 0.114 0.000 1.099 248 T CA 0.542 62.735 62.100 0.154 0.000 0.988 248 T CB -0.606 68.325 68.868 0.105 0.000 0.999 248 T HN 0.187 nan 8.240 nan 0.000 0.550 249 S N -0.702 115.075 115.700 0.128 0.000 3.041 249 S HA 0.642 5.112 4.470 -0.000 0.000 0.250 249 S C 0.645 175.289 174.600 0.073 0.000 0.898 249 S CA -0.265 57.992 58.200 0.094 0.000 1.100 249 S CB 0.203 63.472 63.200 0.114 0.000 1.149 249 S HN 0.487 nan 8.310 nan 0.000 0.540 250 A N 1.248 124.115 122.820 0.078 0.000 2.631 250 A HA 0.529 4.849 4.320 -0.000 0.000 0.294 250 A C 0.304 177.925 177.584 0.061 0.000 1.156 250 A CA -0.199 51.874 52.037 0.061 0.000 0.963 250 A CB -0.224 18.816 19.000 0.067 0.000 1.202 250 A HN 0.331 nan 8.150 nan 0.000 0.523 251 D N -0.162 120.273 120.400 0.058 0.000 2.708 251 D HA -0.146 4.494 4.640 -0.000 0.000 0.236 251 D C -0.354 175.976 176.300 0.049 0.000 1.146 251 D CA 0.991 55.022 54.000 0.051 0.000 0.662 251 D CB -1.175 39.654 40.800 0.048 0.000 1.059 251 D HN 0.492 nan 8.370 nan 0.000 0.428 252 L N 0.328 121.583 121.223 0.054 0.000 2.309 252 L HA 0.357 4.697 4.340 -0.000 0.000 0.282 252 L C 1.200 178.088 176.870 0.030 0.000 1.036 252 L CA -0.891 53.972 54.840 0.039 0.000 0.806 252 L CB 1.254 43.342 42.059 0.048 0.000 1.220 252 L HN -0.241 nan 8.230 nan 0.000 0.429 253 R N 1.675 122.183 120.500 0.014 0.000 2.640 253 R HA -0.034 4.306 4.340 -0.000 0.000 0.270 253 R C 0.529 176.837 176.300 0.012 0.000 1.024 253 R CA -0.165 55.943 56.100 0.013 0.000 1.085 253 R CB 0.412 30.713 30.300 0.002 0.000 0.963 253 R HN 0.608 nan 8.270 nan 0.000 0.426 254 D N 2.506 122.917 120.400 0.017 0.000 2.158 254 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 254 D C 1.852 178.159 176.300 0.011 0.000 0.995 254 D CA 1.548 55.558 54.000 0.017 0.000 0.846 254 D CB 0.075 40.885 40.800 0.017 0.000 0.941 254 D HN 0.538 nan 8.370 nan 0.000 0.456 255 I N 0.736 121.309 120.570 0.005 0.000 2.118 255 I HA -0.266 3.904 4.170 -0.000 0.000 0.241 255 I C 2.341 178.468 176.117 0.016 0.000 1.070 255 I CA 0.890 62.193 61.300 0.005 0.000 1.327 255 I CB -0.611 37.380 38.000 -0.015 0.000 1.034 255 I HN -0.064 nan 8.210 nan 0.000 0.405 256 I N 1.658 122.226 120.570 -0.003 0.000 2.163 256 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 256 I C 2.734 178.836 176.117 -0.026 0.000 1.085 256 I CA 1.932 63.223 61.300 -0.015 0.000 1.347 256 I CB -1.102 36.866 38.000 -0.054 0.000 1.044 256 I HN 0.271 nan 8.210 nan 0.000 0.408 257 I N 0.635 121.194 120.570 -0.019 0.000 2.286 257 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 257 I C 2.339 178.442 176.117 -0.022 0.000 1.115 257 I CA 1.430 62.715 61.300 -0.024 0.000 1.392 257 I CB -0.498 37.520 38.000 0.029 0.000 1.065 257 I HN 0.221 nan 8.210 nan 0.000 0.418 258 D N 1.352 121.756 120.400 0.008 0.000 2.097 258 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 258 D C 1.895 178.217 176.300 0.037 0.000 0.989 258 D CA 1.369 55.379 54.000 0.016 0.000 0.827 258 D CB -0.187 40.629 40.800 0.027 0.000 0.966 258 D HN 0.188 nan 8.370 nan 0.000 0.456 259 N N -0.106 118.656 118.700 0.104 0.000 2.223 259 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 259 N C 1.978 177.566 175.510 0.130 0.000 1.016 259 N CA 0.484 53.673 53.050 0.231 0.000 0.863 259 N CB -0.151 38.508 38.487 0.287 0.000 0.983 259 N HN 0.159 nan 8.380 nan 0.000 0.429 260 V N 1.899 121.789 119.914 -0.040 0.000 2.358 260 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 260 V C 1.921 177.851 176.094 -0.273 0.000 1.047 260 V CA 1.260 63.386 62.300 -0.291 0.000 1.035 260 V CB -0.421 31.100 31.823 -0.503 0.000 0.658 260 V HN 0.305 nan 8.190 nan 0.000 0.452 261 N N 0.378 119.001 118.700 -0.128 0.000 2.188 261 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 261 N C 1.814 177.271 175.510 -0.087 0.000 1.018 261 N CA 1.202 54.208 53.050 -0.074 0.000 0.858 261 N CB -0.248 38.219 38.487 -0.034 0.000 0.989 261 N HN 0.491 nan 8.380 nan 0.000 0.426 262 K N 0.463 120.807 120.400 -0.094 0.000 2.288 262 K HA 0.119 4.439 4.320 -0.000 0.000 0.201 262 K C 1.471 178.041 176.600 -0.050 0.000 1.048 262 K CA 0.471 56.638 56.287 -0.200 0.000 0.956 262 K CB 0.130 32.323 32.500 -0.510 0.000 0.746 262 K HN 0.032 nan 8.250 nan 0.000 0.461 263 S N -0.493 115.205 115.700 -0.004 0.000 2.562 263 S HA 0.053 4.523 4.470 -0.000 0.000 0.221 263 S C 1.096 175.608 174.600 -0.147 0.000 0.975 263 S CA 0.684 58.811 58.200 -0.121 0.000 0.918 263 S CB 0.593 63.457 63.200 -0.560 0.000 0.772 263 S HN 0.589 nan 8.310 nan 0.000 0.531 264 G N 0.880 109.630 108.800 -0.083 0.000 2.141 264 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 264 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 264 G C -0.275 174.752 174.900 0.212 0.000 0.982 264 G CA -0.303 44.828 45.100 0.051 0.000 0.662 264 G HN 0.415 nan 8.290 nan 0.000 0.527 265 Y N 0.593 120.893 120.300 0.000 0.000 2.316 265 Y HA 0.533 5.083 4.550 -0.000 0.000 0.331 265 Y C 1.444 177.418 175.900 0.124 0.000 1.083 265 Y CA -1.365 56.760 58.100 0.042 0.000 1.206 265 Y CB 1.104 39.553 38.460 -0.017 0.000 1.195 265 Y HN -0.009 nan 8.280 nan 0.000 0.497 266 K N 2.443 123.031 120.400 0.313 0.000 2.240 266 K HA 0.325 4.644 4.320 -0.000 0.000 0.202 266 K C 0.028 176.848 176.600 0.367 0.000 1.053 266 K CA 0.661 57.108 56.287 0.266 0.000 0.973 266 K CB 0.667 33.234 32.500 0.112 0.000 0.924 266 K HN 0.496 nan 8.250 nan 0.000 0.477 267 I N 2.517 123.287 120.570 0.332 0.000 2.608 267 I HA 0.254 4.424 4.170 -0.000 0.000 0.295 267 I C -2.638 173.533 176.117 0.090 0.000 1.049 267 I CA -2.666 58.739 61.300 0.175 0.000 1.063 267 I CB 2.029 40.161 38.000 0.220 0.000 1.248 267 I HN -0.160 nan 8.210 nan 0.000 0.424 268 P HA 0.145 nan 4.420 nan 0.000 0.272 268 P C -0.366 176.834 177.300 -0.167 0.000 1.223 268 P CA -0.338 62.471 63.100 -0.485 0.000 0.784 268 P CB 0.455 31.653 31.700 -0.837 0.000 0.923 269 T N -0.865 113.601 114.554 -0.147 0.000 2.847 269 T HA 0.269 4.619 4.350 -0.000 0.000 0.279 269 T C -1.892 172.617 174.700 -0.319 0.000 0.984 269 T CA -1.793 60.087 62.100 -0.366 0.000 0.988 269 T CB -0.019 68.543 68.868 -0.510 0.000 1.040 269 T HN 0.122 nan 8.240 nan 0.000 0.528 270 P HA -0.151 nan 4.420 nan 0.000 0.215 270 P C 1.528 178.735 177.300 -0.155 0.000 1.163 270 P CA 1.239 64.203 63.100 -0.227 0.000 0.894 270 P CB -0.345 31.230 31.700 -0.209 0.000 0.791 271 I N -1.824 118.664 120.570 -0.137 0.000 2.394 271 I HA -0.190 3.979 4.170 -0.000 0.000 0.251 271 I C 2.238 178.355 176.117 -0.001 0.000 1.136 271 I CA 1.530 62.805 61.300 -0.041 0.000 1.425 271 I CB -1.668 36.360 38.000 0.046 0.000 1.079 271 I HN -0.053 nan 8.210 nan 0.000 0.425 272 Q N 1.284 121.059 119.800 -0.041 0.000 2.119 272 Q HA -0.134 4.206 4.340 -0.000 0.000 0.201 272 Q C 2.207 178.180 176.000 -0.045 0.000 0.972 272 Q CA 1.292 57.089 55.803 -0.010 0.000 0.847 272 Q CB -0.214 28.525 28.738 0.003 0.000 0.903 272 Q HN 0.535 nan 8.270 nan 0.000 0.433 273 K N -0.143 120.192 120.400 -0.108 0.000 2.057 273 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 273 K C 2.087 178.647 176.600 -0.067 0.000 1.049 273 K CA 1.407 57.622 56.287 -0.121 0.000 0.931 273 K CB -0.037 32.374 32.500 -0.149 0.000 0.714 273 K HN 0.261 nan 8.250 nan 0.000 0.440 274 C N -0.370 118.901 119.300 -0.049 0.000 2.519 274 C HA 0.074 4.534 4.460 -0.000 0.000 0.281 274 C C 2.799 177.793 174.990 0.006 0.000 1.331 274 C CA 0.220 59.220 59.018 -0.030 0.000 1.725 274 C CB -0.275 27.436 27.740 -0.049 0.000 2.079 274 C HN 0.400 nan 8.230 nan 0.000 0.496 275 S N 1.376 117.102 115.700 0.043 0.000 2.371 275 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 275 S C 1.674 176.349 174.600 0.124 0.000 1.029 275 S CA 1.146 59.415 58.200 0.115 0.000 0.978 275 S CB -0.343 63.016 63.200 0.265 0.000 0.833 275 S HN 0.537 nan 8.310 nan 0.000 0.466 276 I N 2.007 122.631 120.570 0.091 0.000 2.118 276 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 276 I C -0.978 175.183 176.117 0.075 0.000 1.070 276 I CA 1.363 62.712 61.300 0.081 0.000 1.327 276 I CB -1.471 36.564 38.000 0.058 0.000 1.034 276 I HN 0.223 nan 8.210 nan 0.000 0.405 277 P HA -0.095 nan 4.420 nan 0.000 0.217 277 P C 1.960 179.298 177.300 0.063 0.000 1.150 277 P CA 1.072 64.202 63.100 0.049 0.000 0.832 277 P CB 0.031 31.748 31.700 0.028 0.000 0.787 278 V N -0.211 119.743 119.914 0.066 0.000 2.295 278 V HA -0.237 3.882 4.120 -0.000 0.000 0.246 278 V C 2.345 178.503 176.094 0.107 0.000 1.049 278 V CA 1.715 64.059 62.300 0.073 0.000 1.024 278 V CB -1.080 30.782 31.823 0.065 0.000 0.648 278 V HN 0.055 nan 8.190 nan 0.000 0.447 279 I N -0.189 120.466 120.570 0.142 0.000 2.252 279 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 279 I C 2.550 178.782 176.117 0.192 0.000 1.102 279 I CA 1.427 62.845 61.300 0.198 0.000 1.385 279 I CB -0.458 37.683 38.000 0.235 0.000 1.064 279 I HN 0.223 nan 8.210 nan 0.000 0.414 280 S N 0.400 116.185 115.700 0.141 0.000 2.419 280 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 280 S C 2.007 176.675 174.600 0.114 0.000 1.019 280 S CA 1.481 59.756 58.200 0.124 0.000 0.982 280 S CB -0.170 63.082 63.200 0.086 0.000 0.789 280 S HN 0.398 nan 8.310 nan 0.000 0.490 281 S N -0.076 115.681 115.700 0.096 0.000 2.562 281 S HA 0.287 4.757 4.470 -0.000 0.000 0.221 281 S C 1.500 176.141 174.600 0.068 0.000 0.975 281 S CA 0.529 58.773 58.200 0.072 0.000 0.918 281 S CB 0.114 63.348 63.200 0.056 0.000 0.772 281 S HN 0.734 nan 8.310 nan 0.000 0.531 282 G N 1.814 110.667 108.800 0.088 0.000 2.132 282 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.234 282 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.234 282 G C 0.005 174.923 174.900 0.031 0.000 0.989 282 G CA -0.429 44.700 45.100 0.048 0.000 0.676 282 G HN 0.307 nan 8.290 nan 0.000 0.522 283 R N 0.341 120.878 120.500 0.061 0.000 2.532 283 R HA 0.480 4.820 4.340 -0.000 0.000 0.272 283 R C -0.397 175.949 176.300 0.077 0.000 1.032 283 R CA -0.708 55.426 56.100 0.057 0.000 1.089 283 R CB 0.532 30.868 30.300 0.060 0.000 1.098 283 R HN 0.175 nan 8.270 nan 0.000 0.526 284 D N 1.005 121.452 120.400 0.079 0.000 2.313 284 D HA 0.364 5.004 4.640 -0.000 0.000 0.247 284 D C -0.272 176.102 176.300 0.123 0.000 1.094 284 D CA -0.071 53.988 54.000 0.097 0.000 0.925 284 D CB 0.968 41.830 40.800 0.103 0.000 1.188 284 D HN 0.091 nan 8.370 nan 0.000 0.430 285 L N 1.654 122.919 121.223 0.072 0.000 2.445 285 L HA 0.476 4.816 4.340 -0.000 0.000 0.262 285 L C -1.554 175.231 176.870 -0.140 0.000 0.974 285 L CA -0.681 54.164 54.840 0.008 0.000 0.822 285 L CB 2.031 44.077 42.059 -0.023 0.000 1.339 285 L HN 0.308 nan 8.230 nan 0.000 0.409 286 M N 4.312 123.817 119.600 -0.158 0.000 2.093 286 M HA 0.619 5.099 4.480 -0.000 0.000 0.297 286 M C -1.390 174.667 176.300 -0.403 0.000 0.938 286 M CA -0.392 54.749 55.300 -0.265 0.000 0.920 286 M CB 1.529 34.003 32.600 -0.211 0.000 1.517 286 M HN 0.666 nan 8.290 nan 0.000 0.427 287 A N 4.512 126.987 122.820 -0.574 0.000 2.318 287 A HA 0.756 5.076 4.320 -0.000 0.000 0.317 287 A C -1.204 176.220 177.584 -0.266 0.000 1.159 287 A CA -0.545 51.145 52.037 -0.579 0.000 0.799 287 A CB 0.772 19.202 19.000 -0.950 0.000 1.194 287 A HN 0.901 nan 8.150 nan 0.000 0.479 288 C N 2.117 121.279 119.300 -0.230 0.000 2.340 288 C HA 0.929 5.389 4.460 -0.000 0.000 0.323 288 C C 0.420 175.392 174.990 -0.030 0.000 1.260 288 C CA -0.249 58.746 59.018 -0.038 0.000 1.464 288 C CB 0.142 27.872 27.740 -0.016 0.000 2.156 288 C HN 1.214 nan 8.230 nan 0.000 0.476 289 A N 3.117 125.963 122.820 0.044 0.000 2.566 289 A HA 0.690 5.009 4.320 -0.000 0.000 0.297 289 A C -0.693 176.923 177.584 0.052 0.000 1.059 289 A CA -0.660 51.396 52.037 0.031 0.000 0.691 289 A CB 0.769 19.784 19.000 0.025 0.000 1.282 289 A HN 0.915 nan 8.150 nan 0.000 0.401 290 Q N 0.929 120.754 119.800 0.042 0.000 2.469 290 Q HA 0.341 4.680 4.340 -0.000 0.000 0.279 290 Q C 0.384 176.414 176.000 0.049 0.000 1.097 290 Q CA 0.472 56.297 55.803 0.036 0.000 0.951 290 Q CB -0.277 28.489 28.738 0.047 0.000 1.297 290 Q HN 0.942 nan 8.270 nan 0.000 0.465 291 T N -1.976 112.592 114.554 0.023 0.000 2.937 291 T HA 0.340 4.690 4.350 -0.000 0.000 0.316 291 T C 1.158 175.903 174.700 0.076 0.000 1.079 291 T CA -0.070 62.057 62.100 0.045 0.000 1.131 291 T CB 0.415 69.291 68.868 0.013 0.000 1.000 291 T HN 1.351 nan 8.240 nan 0.000 0.549 292 G N 1.546 110.398 108.800 0.086 0.000 2.198 292 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 292 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 292 G C 0.527 175.502 174.900 0.126 0.000 1.025 292 G CA 0.522 45.684 45.100 0.103 0.000 0.769 292 G HN 1.837 nan 8.290 nan 0.000 0.507 293 S N -1.160 114.586 115.700 0.076 0.000 2.574 293 S HA 0.501 4.971 4.470 -0.000 0.000 0.242 293 S C 1.628 176.157 174.600 -0.118 0.000 0.982 293 S CA 0.752 58.940 58.200 -0.020 0.000 0.977 293 S CB 0.635 63.806 63.200 -0.049 0.000 0.814 293 S HN 2.230 nan 8.310 nan 0.000 0.464 294 G N 1.778 110.552 108.800 -0.045 0.000 2.132 294 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.228 294 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.228 294 G C 0.669 175.529 174.900 -0.066 0.000 1.000 294 G CA 0.331 45.387 45.100 -0.073 0.000 0.693 294 G HN 0.519 nan 8.290 nan 0.000 0.515 295 K N -0.344 120.047 120.400 -0.015 0.000 2.209 295 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 295 K C 2.590 179.008 176.600 -0.302 0.000 1.048 295 K CA 1.704 57.990 56.287 -0.002 0.000 0.940 295 K CB -0.215 32.408 32.500 0.205 0.000 0.729 295 K HN 0.479 nan 8.250 nan 0.000 0.451 296 T N 1.076 115.432 114.554 -0.330 0.000 2.708 296 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 296 T C 2.100 176.241 174.700 -0.932 0.000 1.037 296 T CA 1.398 63.047 62.100 -0.752 0.000 1.146 296 T CB -0.264 68.415 68.868 -0.316 0.000 0.865 296 T HN 0.289 nan 8.240 nan 0.000 0.435 297 A N 1.546 124.117 122.820 -0.416 0.000 1.969 297 A HA 0.286 4.606 4.320 -0.000 0.000 0.218 297 A C 2.672 180.002 177.584 -0.424 0.000 1.169 297 A CA 1.542 53.314 52.037 -0.442 0.000 0.635 297 A CB -1.100 17.774 19.000 -0.211 0.000 0.810 297 A HN 0.513 nan 8.150 nan 0.000 0.445 298 A N -0.361 122.272 122.820 -0.313 0.000 2.032 298 A HA -0.050 4.270 4.320 -0.000 0.000 0.221 298 A C 1.798 179.316 177.584 -0.109 0.000 1.165 298 A CA 1.835 53.797 52.037 -0.125 0.000 0.645 298 A CB -0.752 18.279 19.000 0.052 0.000 0.807 298 A HN 1.136 nan 8.150 nan 0.000 0.453 299 F N -3.194 116.554 119.950 -0.337 0.000 2.712 299 F HA 0.402 4.929 4.527 -0.000 0.000 0.297 299 F C 1.432 177.106 175.800 -0.210 0.000 1.114 299 F CA -0.219 57.617 58.000 -0.274 0.000 1.305 299 F CB -0.291 38.411 39.000 -0.497 0.000 1.086 299 F HN 0.012 nan 8.300 nan 0.000 0.599 300 L N 0.615 121.581 121.223 -0.429 0.000 2.044 300 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 300 L C 2.489 179.201 176.870 -0.263 0.000 1.075 300 L CA 1.033 55.722 54.840 -0.252 0.000 0.747 300 L CB -0.647 41.249 42.059 -0.271 0.000 0.903 300 L HN 0.202 nan 8.230 nan 0.000 0.435 301 L N 0.222 121.206 121.223 -0.398 0.000 1.971 301 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 301 L C -0.101 176.667 176.870 -0.170 0.000 1.072 301 L CA 1.702 56.341 54.840 -0.334 0.000 0.758 301 L CB -2.300 39.554 42.059 -0.342 0.000 0.889 301 L HN 0.262 nan 8.230 nan 0.000 0.433 302 P HA -0.163 nan 4.420 nan 0.000 0.217 302 P C 1.870 179.105 177.300 -0.107 0.000 1.150 302 P CA 1.638 64.710 63.100 -0.045 0.000 0.832 302 P CB 0.061 31.780 31.700 0.031 0.000 0.787 303 I N -0.549 119.907 120.570 -0.190 0.000 2.202 303 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 303 I C 2.721 178.608 176.117 -0.383 0.000 1.091 303 I CA 1.147 62.167 61.300 -0.467 0.000 1.368 303 I CB -0.662 37.047 38.000 -0.485 0.000 1.058 303 I HN -0.162 nan 8.210 nan 0.000 0.410 304 L N -0.132 120.947 121.223 -0.241 0.000 2.042 304 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 304 L C 2.759 179.529 176.870 -0.167 0.000 1.076 304 L CA 1.537 56.262 54.840 -0.192 0.000 0.749 304 L CB -0.619 41.357 42.059 -0.137 0.000 0.893 304 L HN 0.265 nan 8.230 nan 0.000 0.432 305 S N -0.477 115.145 115.700 -0.131 0.000 2.382 305 S HA -0.178 4.291 4.470 -0.000 0.000 0.228 305 S C 2.107 176.677 174.600 -0.051 0.000 1.027 305 S CA 1.208 59.361 58.200 -0.077 0.000 0.991 305 S CB -0.049 63.123 63.200 -0.046 0.000 0.823 305 S HN 0.203 nan 8.310 nan 0.000 0.469 306 K N 0.935 121.298 120.400 -0.061 0.000 2.211 306 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 306 K C 1.950 178.556 176.600 0.011 0.000 1.050 306 K CA 0.679 56.975 56.287 0.014 0.000 0.945 306 K CB -0.523 32.032 32.500 0.091 0.000 0.732 306 K HN 0.449 nan 8.250 nan 0.000 0.451 307 L N 0.192 121.367 121.223 -0.081 0.000 2.156 307 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 307 L C 1.871 178.721 176.870 -0.034 0.000 1.095 307 L CA 0.507 55.296 54.840 -0.085 0.000 0.770 307 L CB -0.220 41.718 42.059 -0.202 0.000 0.914 307 L HN 0.061 nan 8.230 nan 0.000 0.439 308 L N -0.752 120.443 121.223 -0.047 0.000 2.202 308 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 308 L C 2.407 179.333 176.870 0.094 0.000 1.083 308 L CA 1.381 56.246 54.840 0.042 0.000 0.790 308 L CB -1.063 40.981 42.059 -0.025 0.000 0.942 308 L HN 0.266 nan 8.230 nan 0.000 0.452 309 E N -0.296 119.941 120.200 0.062 0.000 2.150 309 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 309 E C -0.019 176.643 176.600 0.102 0.000 0.985 309 E CA 0.927 57.371 56.400 0.075 0.000 0.814 309 E CB 0.377 30.115 29.700 0.062 0.000 0.752 309 E HN 0.286 nan 8.360 nan 0.000 0.466 310 D N 0.126 120.605 120.400 0.130 0.000 2.735 310 D HA 0.216 4.856 4.640 -0.000 0.000 0.291 310 D C -2.742 173.729 176.300 0.286 0.000 1.205 310 D CA -2.050 52.063 54.000 0.188 0.000 0.777 310 D CB 0.828 41.748 40.800 0.200 0.000 1.234 310 D HN -0.109 nan 8.370 nan 0.000 0.520 311 P HA 0.140 nan 4.420 nan 0.000 0.266 311 P C -0.650 176.921 177.300 0.452 0.000 1.195 311 P CA 0.448 63.721 63.100 0.288 0.000 0.768 311 P CB 0.435 32.246 31.700 0.185 0.000 0.838 312 H N -0.220 118.914 119.070 0.106 0.000 2.895 312 H HA 0.257 4.813 4.556 -0.000 0.000 0.373 312 H C -0.379 175.019 175.328 0.116 0.000 1.174 312 H CA -0.993 55.115 56.048 0.100 0.000 1.144 312 H CB 1.825 31.654 29.762 0.112 0.000 1.793 312 H HN 0.344 nan 8.280 nan 0.000 0.551 313 E N 1.835 122.155 120.200 0.201 0.000 2.417 313 E HA 0.008 4.358 4.350 -0.000 0.000 0.261 313 E C -1.033 175.675 176.600 0.179 0.000 1.000 313 E CA -0.413 56.077 56.400 0.151 0.000 0.919 313 E CB 0.378 30.132 29.700 0.090 0.000 0.955 313 E HN 0.269 nan 8.360 nan 0.000 0.455 314 L N 4.695 126.031 121.223 0.187 0.000 2.407 314 L HA 0.229 4.569 4.340 -0.000 0.000 0.282 314 L C 0.020 176.942 176.870 0.087 0.000 1.110 314 L CA 0.280 55.217 54.840 0.161 0.000 0.863 314 L CB 0.281 42.423 42.059 0.138 0.000 1.207 314 L HN 0.623 nan 8.230 nan 0.000 0.454 315 E N 2.613 122.863 120.200 0.082 0.000 2.359 315 E HA 0.399 4.749 4.350 -0.000 0.000 0.255 315 E C -1.096 175.525 176.600 0.036 0.000 1.191 315 E CA -0.576 55.858 56.400 0.057 0.000 0.952 315 E CB 0.963 30.702 29.700 0.064 0.000 1.152 315 E HN 0.530 nan 8.360 nan 0.000 0.496 316 L N 0.971 122.212 121.223 0.030 0.000 2.292 316 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 316 L C 0.640 177.528 176.870 0.030 0.000 1.065 316 L CA 0.981 55.835 54.840 0.023 0.000 0.806 316 L CB 0.747 42.820 42.059 0.024 0.000 1.175 316 L HN 0.619 nan 8.230 nan 0.000 0.431 317 G N 3.865 112.681 108.800 0.026 0.000 2.225 317 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 317 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 317 G C 0.351 175.244 174.900 -0.013 0.000 1.024 317 G CA 0.603 45.722 45.100 0.032 0.000 0.784 317 G HN 0.676 nan 8.290 nan 0.000 0.507 318 R N 0.129 120.629 120.500 -0.000 0.000 2.576 318 R HA 0.331 4.670 4.340 -0.000 0.000 0.283 318 R C -2.982 173.347 176.300 0.049 0.000 1.493 318 R CA -1.700 54.405 56.100 0.008 0.000 1.170 318 R CB 2.098 32.420 30.300 0.036 0.000 1.189 318 R HN 0.113 nan 8.270 nan 0.000 0.542 319 P HA 0.091 nan 4.420 nan 0.000 0.275 319 P C 0.041 177.432 177.300 0.152 0.000 1.228 319 P CA -0.298 62.861 63.100 0.099 0.000 0.786 319 P CB 0.944 32.705 31.700 0.101 0.000 0.927 320 Q N 0.192 120.095 119.800 0.172 0.000 2.408 320 Q HA 0.162 4.502 4.340 -0.000 0.000 0.205 320 Q C -0.226 175.925 176.000 0.251 0.000 0.919 320 Q CA 0.553 56.476 55.803 0.199 0.000 0.932 320 Q CB 0.429 29.287 28.738 0.199 0.000 1.058 320 Q HN 0.234 nan 8.270 nan 0.000 0.517 321 V N 0.962 120.996 119.914 0.200 0.000 2.711 321 V HA 0.283 4.403 4.120 -0.000 0.000 0.304 321 V C -0.838 175.330 176.094 0.124 0.000 1.097 321 V CA -0.800 61.613 62.300 0.188 0.000 0.906 321 V CB 2.336 34.222 31.823 0.105 0.000 1.015 321 V HN -0.197 nan 8.190 nan 0.000 0.427 322 V N 6.121 126.090 119.914 0.092 0.000 2.407 322 V HA 0.551 4.671 4.120 -0.000 0.000 0.291 322 V C -0.367 175.715 176.094 -0.020 0.000 1.018 322 V CA -0.330 61.993 62.300 0.038 0.000 0.842 322 V CB 1.724 33.552 31.823 0.008 0.000 0.996 322 V HN 0.720 nan 8.190 nan 0.000 0.426 323 I N 5.352 125.910 120.570 -0.020 0.000 2.362 323 I HA 0.490 4.660 4.170 -0.000 0.000 0.289 323 I C -0.374 175.695 176.117 -0.080 0.000 0.994 323 I CA -0.700 60.558 61.300 -0.069 0.000 1.158 323 I CB 1.933 39.928 38.000 -0.008 0.000 1.315 323 I HN 0.276 nan 8.210 nan 0.000 0.451 324 V N 4.828 124.662 119.914 -0.133 0.000 2.612 324 V HA 0.524 4.644 4.120 -0.000 0.000 0.301 324 V C 0.042 176.034 176.094 -0.170 0.000 1.046 324 V CA -0.366 61.842 62.300 -0.154 0.000 0.946 324 V CB 1.877 33.579 31.823 -0.201 0.000 1.003 324 V HN 0.793 nan 8.190 nan 0.000 0.459 325 S N 4.119 119.711 115.700 -0.180 0.000 2.548 325 S HA 0.602 5.072 4.470 -0.000 0.000 0.286 325 S C -2.067 172.374 174.600 -0.264 0.000 1.098 325 S CA -1.463 56.632 58.200 -0.176 0.000 0.930 325 S CB 2.441 65.580 63.200 -0.102 0.000 1.070 325 S HN 0.549 nan 8.310 nan 0.000 0.480 326 P HA 0.118 nan 4.420 nan 0.000 0.227 326 P C 0.439 177.743 177.300 0.006 0.000 1.161 326 P CA 0.654 63.612 63.100 -0.236 0.000 0.788 326 P CB -0.109 31.527 31.700 -0.106 0.000 0.822 327 T N -4.273 110.264 114.554 -0.028 0.000 2.896 327 T HA 0.444 4.794 4.350 -0.000 0.000 0.297 327 T C 1.039 175.705 174.700 -0.056 0.000 1.108 327 T CA -0.884 61.217 62.100 0.003 0.000 1.004 327 T CB 2.332 71.203 68.868 0.004 0.000 1.159 327 T HN -0.207 nan 8.240 nan 0.000 0.499 328 R N 0.509 120.971 120.500 -0.063 0.000 2.073 328 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 328 R C 1.948 178.058 176.300 -0.317 0.000 1.134 328 R CA 1.797 57.770 56.100 -0.212 0.000 0.952 328 R CB -0.358 29.868 30.300 -0.123 0.000 0.850 328 R HN 0.675 nan 8.270 nan 0.000 0.433 329 E N 0.777 120.867 120.200 -0.183 0.000 2.153 329 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 329 E C 1.698 178.229 176.600 -0.114 0.000 0.988 329 E CA 0.676 56.986 56.400 -0.150 0.000 0.811 329 E CB -0.168 29.485 29.700 -0.078 0.000 0.746 329 E HN 0.115 nan 8.360 nan 0.000 0.466 330 L N 0.159 121.329 121.223 -0.089 0.000 2.109 330 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 330 L C 1.968 178.804 176.870 -0.057 0.000 1.086 330 L CA 1.681 56.490 54.840 -0.051 0.000 0.760 330 L CB -0.810 41.227 42.059 -0.036 0.000 0.910 330 L HN 0.094 nan 8.230 nan 0.000 0.437 331 A N 0.504 123.257 122.820 -0.112 0.000 1.865 331 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 331 A C 2.224 179.764 177.584 -0.074 0.000 1.191 331 A CA 2.093 54.069 52.037 -0.103 0.000 0.623 331 A CB -1.081 17.815 19.000 -0.174 0.000 0.826 331 A HN 0.582 nan 8.150 nan 0.000 0.444 332 I N -0.720 119.737 120.570 -0.188 0.000 2.361 332 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 332 I C 2.127 178.301 176.117 0.094 0.000 1.133 332 I CA 2.580 63.843 61.300 -0.062 0.000 1.413 332 I CB -1.234 36.671 38.000 -0.158 0.000 1.073 332 I HN 0.634 nan 8.210 nan 0.000 0.424 333 Q N 1.335 121.145 119.800 0.017 0.000 2.050 333 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 333 Q C 2.373 178.386 176.000 0.021 0.000 0.980 333 Q CA 2.224 58.037 55.803 0.016 0.000 0.840 333 Q CB -0.145 28.592 28.738 -0.002 0.000 0.898 333 Q HN 0.656 nan 8.270 nan 0.000 0.424 334 I N 0.430 121.029 120.570 0.048 0.000 2.226 334 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 334 I C 2.249 178.410 176.117 0.072 0.000 1.100 334 I CA 1.073 62.409 61.300 0.061 0.000 1.374 334 I CB -0.389 37.679 38.000 0.114 0.000 1.057 334 I HN 0.290 nan 8.210 nan 0.000 0.413 335 F N 2.188 122.111 119.950 -0.044 0.000 2.120 335 F HA -0.291 4.235 4.527 -0.000 0.000 0.300 335 F C 2.044 177.799 175.800 -0.075 0.000 1.095 335 F CA 2.170 60.144 58.000 -0.044 0.000 1.249 335 F CB -0.650 38.327 39.000 -0.038 0.000 0.995 335 F HN 0.078 nan 8.300 nan 0.000 0.480 336 N N -0.451 118.155 118.700 -0.157 0.000 2.270 336 N HA -0.140 4.600 4.740 -0.000 0.000 0.181 336 N C 1.652 176.930 175.510 -0.386 0.000 1.016 336 N CA 0.887 53.745 53.050 -0.320 0.000 0.870 336 N CB -0.067 38.335 38.487 -0.142 0.000 0.979 336 N HN 0.246 nan 8.380 nan 0.000 0.431 337 E N 0.867 120.880 120.200 -0.311 0.000 2.106 337 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 337 E C 1.966 178.296 176.600 -0.451 0.000 0.984 337 E CA 0.556 56.682 56.400 -0.456 0.000 0.806 337 E CB -0.216 29.329 29.700 -0.257 0.000 0.750 337 E HN 0.372 nan 8.360 nan 0.000 0.458 338 A N 1.531 124.209 122.820 -0.237 0.000 1.877 338 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 338 A C 2.197 179.642 177.584 -0.233 0.000 1.186 338 A CA 1.469 53.425 52.037 -0.136 0.000 0.620 338 A CB -0.473 18.465 19.000 -0.103 0.000 0.822 338 A HN 0.113 nan 8.150 nan 0.000 0.443 339 R N -0.564 119.705 120.500 -0.385 0.000 2.120 339 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 339 R C 2.347 178.457 176.300 -0.318 0.000 1.123 339 R CA 1.642 57.533 56.100 -0.347 0.000 0.975 339 R CB -0.243 29.782 30.300 -0.459 0.000 0.866 339 R HN 0.637 nan 8.270 nan 0.000 0.446 340 K N 0.148 120.223 120.400 -0.543 0.000 2.025 340 K HA -0.123 4.196 4.320 -0.000 0.000 0.207 340 K C 1.526 177.769 176.600 -0.595 0.000 1.049 340 K CA 1.376 57.159 56.287 -0.840 0.000 0.933 340 K CB -0.015 31.761 32.500 -1.207 0.000 0.714 340 K HN 0.006 nan 8.250 nan 0.000 0.438 341 F N 0.376 120.155 119.950 -0.285 0.000 2.325 341 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 341 F C 1.953 177.688 175.800 -0.107 0.000 1.090 341 F CA 0.713 58.598 58.000 -0.192 0.000 1.392 341 F CB -0.217 38.660 39.000 -0.205 0.000 1.053 341 F HN 0.075 nan 8.300 nan 0.000 0.521 342 A N -0.898 121.948 122.820 0.043 0.000 2.379 342 A HA 0.128 4.448 4.320 -0.000 0.000 0.236 342 A C 0.350 177.954 177.584 0.032 0.000 1.272 342 A CA -0.433 51.603 52.037 -0.002 0.000 0.886 342 A CB -1.204 17.760 19.000 -0.060 0.000 0.962 342 A HN 0.124 nan 8.150 nan 0.000 0.504 343 F N 2.226 122.133 119.950 -0.072 0.000 2.608 343 F HA 0.153 4.680 4.527 -0.000 0.000 0.380 343 F C 0.847 176.651 175.800 0.008 0.000 1.083 343 F CA 0.668 58.655 58.000 -0.022 0.000 1.266 343 F CB -0.148 38.898 39.000 0.076 0.000 1.076 343 F HN 0.556 nan 8.300 nan 0.000 0.574 344 E N 2.720 122.518 120.200 -0.670 0.000 2.340 344 E HA -0.239 4.110 4.350 -0.000 0.000 0.240 344 E C -0.554 175.903 176.600 -0.239 0.000 1.154 344 E CA 0.702 56.760 56.400 -0.569 0.000 0.717 344 E CB -1.364 27.909 29.700 -0.713 0.000 1.250 344 E HN 0.540 nan 8.360 nan 0.000 0.386 345 S N -1.110 114.494 115.700 -0.160 0.000 2.720 345 S HA 0.554 5.024 4.470 -0.000 0.000 0.287 345 S C 0.149 174.717 174.600 -0.053 0.000 1.168 345 S CA -0.277 57.853 58.200 -0.115 0.000 0.832 345 S CB 0.895 63.977 63.200 -0.197 0.000 1.166 345 S HN 0.362 nan 8.310 nan 0.000 0.493 346 Y N 0.874 121.168 120.300 -0.010 0.000 2.511 346 Y HA 0.532 5.081 4.550 -0.000 0.000 0.279 346 Y C 0.234 176.209 175.900 0.125 0.000 1.157 346 Y CA -0.443 57.681 58.100 0.039 0.000 1.300 346 Y CB -0.437 38.048 38.460 0.041 0.000 1.052 346 Y HN 0.253 nan 8.280 nan 0.000 0.529 347 L N 3.065 124.100 121.223 -0.312 0.000 2.455 347 L HA 0.123 4.463 4.340 -0.000 0.000 0.272 347 L C -0.071 176.907 176.870 0.181 0.000 1.174 347 L CA 0.409 55.223 54.840 -0.044 0.000 0.869 347 L CB 0.531 42.433 42.059 -0.262 0.000 1.130 347 L HN 0.178 nan 8.230 nan 0.000 0.474 348 K N 4.038 124.644 120.400 0.343 0.000 2.293 348 K HA 0.351 4.671 4.320 -0.000 0.000 0.267 348 K C 0.081 176.707 176.600 0.044 0.000 1.010 348 K CA -0.742 55.578 56.287 0.056 0.000 0.875 348 K CB 1.794 34.239 32.500 -0.093 0.000 1.106 348 K HN 0.387 nan 8.250 nan 0.000 0.450 349 I N 1.258 121.854 120.570 0.044 0.000 4.191 349 I HA 0.200 4.370 4.170 -0.000 0.000 0.216 349 I C 1.059 177.272 176.117 0.160 0.000 0.999 349 I CA 0.830 62.176 61.300 0.077 0.000 1.478 349 I CB -1.440 36.545 38.000 -0.026 0.000 1.351 349 I HN 0.831 nan 8.210 nan 0.000 0.429 350 G N 1.349 110.389 108.800 0.401 0.000 2.675 350 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.686 350 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.686 350 G C -1.039 173.950 174.900 0.149 0.000 1.215 350 G CA -0.172 45.093 45.100 0.275 0.000 0.777 350 G HN 0.636 nan 8.290 nan 0.000 0.638 351 I N -0.161 120.289 120.570 -0.199 0.000 2.827 351 I HA 0.745 4.915 4.170 -0.000 0.000 0.298 351 I C -1.072 174.902 176.117 -0.237 0.000 1.235 351 I CA -1.249 59.899 61.300 -0.253 0.000 1.021 351 I CB 2.188 39.840 38.000 -0.581 0.000 1.259 351 I HN 0.701 nan 8.210 nan 0.000 0.427 352 V N 7.326 127.148 119.914 -0.154 0.000 2.569 352 V HA 0.619 4.738 4.120 -0.000 0.000 0.301 352 V C -1.549 174.565 176.094 0.034 0.000 1.044 352 V CA -0.324 61.843 62.300 -0.222 0.000 0.874 352 V CB 1.761 33.282 31.823 -0.504 0.000 1.002 352 V HN 0.707 nan 8.190 nan 0.000 0.424 353 Y N 2.395 122.628 120.300 -0.111 0.000 2.604 353 Y HA 0.810 5.360 4.550 -0.000 0.000 0.331 353 Y C 0.236 176.144 175.900 0.014 0.000 1.158 353 Y CA -0.717 57.359 58.100 -0.039 0.000 1.056 353 Y CB 0.934 39.367 38.460 -0.045 0.000 1.330 353 Y HN 0.750 nan 8.280 nan 0.000 0.457 354 G N 0.446 109.346 108.800 0.167 0.000 2.750 354 G HA2 0.384 4.344 3.960 -0.000 0.000 0.250 354 G HA3 0.384 4.344 3.960 -0.000 0.000 0.250 354 G C 0.986 175.951 174.900 0.108 0.000 1.230 354 G CA 0.015 45.179 45.100 0.106 0.000 0.883 354 G HN 2.143 nan 8.290 nan 0.000 0.573 355 G N -1.677 107.175 108.800 0.087 0.000 2.184 355 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.264 355 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.264 355 G C 0.595 175.568 174.900 0.121 0.000 0.975 355 G CA 1.564 46.724 45.100 0.100 0.000 0.642 355 G HN 1.939 nan 8.290 nan 0.000 0.536 356 T N -1.673 112.890 114.554 0.016 0.000 2.942 356 T HA 0.715 5.065 4.350 -0.000 0.000 0.289 356 T C 0.434 175.137 174.700 0.005 0.000 1.044 356 T CA 0.464 62.563 62.100 -0.002 0.000 1.023 356 T CB 1.710 70.404 68.868 -0.289 0.000 1.123 356 T HN 1.516 nan 8.240 nan 0.000 0.512 357 S N 1.020 116.729 115.700 0.016 0.000 2.498 357 S HA 0.151 4.621 4.470 -0.000 0.000 0.281 357 S C 0.716 175.369 174.600 0.088 0.000 1.265 357 S CA -0.822 57.417 58.200 0.064 0.000 1.071 357 S CB -0.491 62.738 63.200 0.049 0.000 0.894 357 S HN 0.671 nan 8.310 nan 0.000 0.491 358 F N 3.354 123.296 119.950 -0.012 0.000 2.250 358 F HA -0.121 4.406 4.527 -0.000 0.000 0.301 358 F C 2.555 178.333 175.800 -0.037 0.000 1.077 358 F CA 1.680 59.656 58.000 -0.041 0.000 1.348 358 F CB -0.022 38.910 39.000 -0.113 0.000 1.040 358 F HN 0.712 nan 8.300 nan 0.000 0.509 359 R N -0.806 119.833 120.500 0.230 0.000 2.062 359 R HA -0.233 4.107 4.340 -0.000 0.000 0.229 359 R C 2.273 178.633 176.300 0.100 0.000 1.128 359 R CA 1.933 58.118 56.100 0.141 0.000 0.960 359 R CB -0.717 29.633 30.300 0.083 0.000 0.855 359 R HN 0.414 nan 8.270 nan 0.000 0.432 360 H N 0.170 119.238 119.070 -0.004 0.000 2.457 360 H HA -0.013 4.543 4.556 -0.000 0.000 0.294 360 H C 1.695 176.994 175.328 -0.047 0.000 1.064 360 H CA 1.920 57.942 56.048 -0.043 0.000 1.330 360 H CB 0.229 29.935 29.762 -0.093 0.000 1.395 360 H HN 0.363 nan 8.280 nan 0.000 0.541 361 Q N -0.627 119.073 119.800 -0.168 0.000 2.165 361 Q HA -0.071 4.269 4.340 -0.000 0.000 0.197 361 Q C 2.081 178.068 176.000 -0.021 0.000 0.952 361 Q CA 0.955 56.628 55.803 -0.216 0.000 0.848 361 Q CB -0.008 28.630 28.738 -0.167 0.000 0.931 361 Q HN 0.469 nan 8.270 nan 0.000 0.470 362 N N 1.260 120.099 118.700 0.230 0.000 2.205 362 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 362 N C 1.531 177.090 175.510 0.081 0.000 1.015 362 N CA 1.362 54.625 53.050 0.354 0.000 0.862 362 N CB 0.112 38.735 38.487 0.227 0.000 0.986 362 N HN 0.231 nan 8.380 nan 0.000 0.429 363 E N -0.262 119.930 120.200 -0.013 0.000 2.000 363 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 363 E C 1.835 178.384 176.600 -0.086 0.000 1.011 363 E CA 1.905 58.271 56.400 -0.056 0.000 0.836 363 E CB -0.328 29.334 29.700 -0.064 0.000 0.778 363 E HN 0.469 nan 8.360 nan 0.000 0.462 364 C N 0.324 119.522 119.300 -0.170 0.000 2.396 364 C HA -0.199 4.261 4.460 -0.000 0.000 0.279 364 C C 2.556 177.482 174.990 -0.105 0.000 1.229 364 C CA 0.360 59.284 59.018 -0.156 0.000 1.801 364 C CB -0.959 26.630 27.740 -0.252 0.000 2.050 364 C HN 0.466 nan 8.230 nan 0.000 0.491 365 I N 1.252 121.758 120.570 -0.107 0.000 2.333 365 I HA -0.090 4.080 4.170 -0.000 0.000 0.246 365 I C 2.591 178.681 176.117 -0.045 0.000 1.106 365 I CA 2.017 63.262 61.300 -0.093 0.000 1.411 365 I CB -0.754 37.157 38.000 -0.148 0.000 1.082 365 I HN 0.397 nan 8.210 nan 0.000 0.420 366 T N -1.897 112.646 114.554 -0.019 0.000 3.308 366 T HA -0.025 4.325 4.350 -0.000 0.000 0.255 366 T C 1.596 176.281 174.700 -0.025 0.000 1.162 366 T CA 0.459 62.550 62.100 -0.015 0.000 1.031 366 T CB -0.527 68.326 68.868 -0.025 0.000 0.973 366 T HN 0.285 nan 8.240 nan 0.000 0.544 367 R N 0.695 121.175 120.500 -0.034 0.000 2.312 367 R HA 0.441 4.781 4.340 -0.000 0.000 0.205 367 R C 1.033 177.308 176.300 -0.041 0.000 0.904 367 R CA 0.236 56.317 56.100 -0.031 0.000 1.052 367 R CB 0.301 30.582 30.300 -0.030 0.000 1.014 367 R HN 0.505 nan 8.270 nan 0.000 0.503 368 G N 0.760 109.528 108.800 -0.053 0.000 3.190 368 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.686 368 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.686 368 G C -0.612 174.204 174.900 -0.140 0.000 1.033 368 G CA -0.979 44.072 45.100 -0.081 0.000 0.797 368 G HN 0.218 nan 8.290 nan 0.000 0.567 369 C N 3.535 122.744 119.300 -0.151 0.000 2.609 369 C HA 0.698 5.158 4.460 -0.000 0.000 0.313 369 C C 1.158 176.057 174.990 -0.153 0.000 1.175 369 C CA -0.978 57.939 59.018 -0.168 0.000 1.434 369 C CB 1.496 29.197 27.740 -0.065 0.000 2.005 369 C HN 0.867 nan 8.230 nan 0.000 0.471 370 H N 0.403 119.500 119.070 0.045 0.000 2.343 370 H HA 0.085 4.641 4.556 -0.000 0.000 0.303 370 H C 0.518 175.872 175.328 0.043 0.000 1.068 370 H CA 1.373 57.451 56.048 0.050 0.000 1.359 370 H CB 0.166 29.946 29.762 0.030 0.000 1.402 370 H HN 0.397 nan 8.280 nan 0.000 0.515 371 V N 2.350 122.355 119.914 0.152 0.000 2.435 371 V HA 0.262 4.382 4.120 -0.000 0.000 0.290 371 V C -0.071 176.073 176.094 0.083 0.000 1.030 371 V CA -0.609 61.752 62.300 0.102 0.000 0.881 371 V CB 2.349 34.218 31.823 0.078 0.000 0.983 371 V HN -0.080 nan 8.190 nan 0.000 0.445 372 V N 6.250 126.206 119.914 0.070 0.000 2.407 372 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 372 V C -0.476 175.642 176.094 0.041 0.000 1.018 372 V CA -0.475 61.848 62.300 0.038 0.000 0.842 372 V CB 1.591 33.410 31.823 -0.006 0.000 0.996 372 V HN 0.656 nan 8.190 nan 0.000 0.426 373 I N 4.299 124.905 120.570 0.060 0.000 2.385 373 I HA 0.835 5.005 4.170 -0.000 0.000 0.294 373 I C 0.429 176.541 176.117 -0.008 0.000 0.988 373 I CA 0.190 61.520 61.300 0.051 0.000 1.265 373 I CB 1.590 39.665 38.000 0.126 0.000 1.388 373 I HN 0.808 nan 8.210 nan 0.000 0.480 374 A N 3.080 125.884 122.820 -0.026 0.000 2.608 374 A HA 0.769 5.089 4.320 -0.000 0.000 0.292 374 A C -0.577 176.981 177.584 -0.044 0.000 1.066 374 A CA -0.679 51.340 52.037 -0.031 0.000 0.676 374 A CB 1.055 20.025 19.000 -0.050 0.000 1.277 374 A HN 0.625 nan 8.150 nan 0.000 0.413 375 T N 0.133 114.686 114.554 -0.001 0.000 2.909 375 T HA 0.565 4.915 4.350 -0.000 0.000 0.286 375 T C -2.024 172.677 174.700 0.002 0.000 1.002 375 T CA -1.572 60.518 62.100 -0.016 0.000 1.074 375 T CB 1.197 70.102 68.868 0.062 0.000 0.984 375 T HN 0.248 nan 8.240 nan 0.000 0.495 376 P HA -0.156 nan 4.420 nan 0.000 0.216 376 P C 1.906 179.265 177.300 0.099 0.000 1.167 376 P CA 1.710 64.823 63.100 0.021 0.000 0.914 376 P CB -0.445 31.285 31.700 0.049 0.000 0.793 377 G N -0.200 108.691 108.800 0.152 0.000 2.586 377 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 377 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 377 G C 1.746 176.734 174.900 0.145 0.000 1.216 377 G CA 1.290 46.476 45.100 0.143 0.000 0.786 377 G HN 0.180 nan 8.290 nan 0.000 0.583 378 R N 0.157 120.745 120.500 0.147 0.000 2.293 378 R HA 0.074 4.414 4.340 -0.000 0.000 0.219 378 R C 2.149 178.584 176.300 0.226 0.000 1.091 378 R CA 0.899 57.102 56.100 0.173 0.000 1.004 378 R CB -0.517 29.851 30.300 0.114 0.000 0.865 378 R HN 0.424 nan 8.270 nan 0.000 0.469 379 L N -1.144 120.169 121.223 0.150 0.000 2.221 379 L HA 0.119 4.459 4.340 -0.000 0.000 0.202 379 L C 1.326 178.303 176.870 0.177 0.000 1.074 379 L CA 1.189 56.111 54.840 0.137 0.000 0.795 379 L CB -0.343 41.758 42.059 0.071 0.000 0.960 379 L HN 0.130 nan 8.230 nan 0.000 0.458 380 L N 0.043 121.347 121.223 0.136 0.000 2.362 380 L HA -0.127 4.213 4.340 -0.000 0.000 0.219 380 L C 2.018 178.957 176.870 0.116 0.000 1.134 380 L CA 1.399 56.300 54.840 0.102 0.000 0.807 380 L CB -1.406 40.702 42.059 0.081 0.000 0.927 380 L HN 0.407 nan 8.230 nan 0.000 0.447 381 D N -0.970 119.544 120.400 0.190 0.000 2.120 381 D HA -0.162 4.478 4.640 -0.000 0.000 0.202 381 D C 2.185 178.629 176.300 0.241 0.000 0.972 381 D CA 0.995 55.122 54.000 0.212 0.000 0.837 381 D CB -0.017 40.987 40.800 0.340 0.000 0.989 381 D HN 0.206 nan 8.370 nan 0.000 0.469 382 F N -0.024 120.061 119.950 0.226 0.000 2.216 382 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 382 F C 2.362 178.156 175.800 -0.010 0.000 1.085 382 F CA 0.594 58.743 58.000 0.247 0.000 1.326 382 F CB 0.004 39.073 39.000 0.115 0.000 1.027 382 F HN -0.085 nan 8.300 nan 0.000 0.497 383 V N -0.559 119.433 119.914 0.129 0.000 2.346 383 V HA -0.223 3.897 4.120 -0.000 0.000 0.244 383 V C 1.685 177.727 176.094 -0.087 0.000 1.037 383 V CA 1.772 64.040 62.300 -0.052 0.000 1.029 383 V CB -0.468 31.294 31.823 -0.102 0.000 0.663 383 V HN 0.144 nan 8.190 nan 0.000 0.454 384 D N 0.169 120.535 120.400 -0.057 0.000 2.263 384 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 384 D C 2.076 178.267 176.300 -0.182 0.000 0.971 384 D CA 0.902 54.863 54.000 -0.064 0.000 0.867 384 D CB -0.200 40.581 40.800 -0.032 0.000 0.929 384 D HN 0.363 nan 8.370 nan 0.000 0.492 385 R N 0.035 120.325 120.500 -0.351 0.000 2.388 385 R HA 0.052 4.392 4.340 -0.000 0.000 0.247 385 R C 0.443 176.197 176.300 -0.909 0.000 0.931 385 R CA 0.608 56.272 56.100 -0.727 0.000 1.082 385 R CB -0.032 29.583 30.300 -1.140 0.000 1.135 385 R HN 0.110 nan 8.270 nan 0.000 0.525 386 T N -3.197 111.106 114.554 -0.419 0.000 4.242 386 T HA -0.268 4.082 4.350 -0.000 0.000 0.327 386 T C 0.550 175.233 174.700 -0.027 0.000 0.837 386 T CA 1.316 63.303 62.100 -0.189 0.000 1.949 386 T CB -2.511 66.302 68.868 -0.092 0.000 1.943 386 T HN 0.433 nan 8.240 nan 0.000 0.863 387 F N 0.159 120.155 119.950 0.077 0.000 2.664 387 F HA 0.498 5.025 4.527 -0.000 0.000 0.296 387 F C 1.487 177.348 175.800 0.100 0.000 1.125 387 F CA -0.575 57.498 58.000 0.123 0.000 1.444 387 F CB 0.411 39.556 39.000 0.240 0.000 1.114 387 F HN 0.365 nan 8.300 nan 0.000 0.576 388 I N -0.322 120.345 120.570 0.161 0.000 2.533 388 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 388 I C -0.460 175.456 176.117 -0.335 0.000 1.056 388 I CA -0.265 60.998 61.300 -0.062 0.000 1.057 388 I CB 2.369 40.330 38.000 -0.065 0.000 1.240 388 I HN -0.278 nan 8.210 nan 0.000 0.423 389 T N 4.917 119.211 114.554 -0.432 0.000 2.900 389 T HA 0.510 4.860 4.350 -0.000 0.000 0.303 389 T C -0.400 173.956 174.700 -0.573 0.000 1.142 389 T CA -0.279 61.501 62.100 -0.534 0.000 1.007 389 T CB 0.931 69.707 68.868 -0.153 0.000 1.156 389 T HN 0.291 nan 8.240 nan 0.000 0.490 390 F N 1.273 121.270 119.950 0.078 0.000 2.730 390 F HA 0.342 4.869 4.527 -0.000 0.000 0.295 390 F C 1.643 177.474 175.800 0.052 0.000 1.143 390 F CA -0.470 57.557 58.000 0.045 0.000 1.367 390 F CB 0.086 39.091 39.000 0.007 0.000 0.970 390 F HN 0.516 nan 8.300 nan 0.000 0.514 391 E N 0.436 120.727 120.200 0.152 0.000 2.204 391 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 391 E C 0.901 177.581 176.600 0.134 0.000 0.989 391 E CA 1.077 57.557 56.400 0.134 0.000 0.824 391 E CB -0.062 29.695 29.700 0.095 0.000 0.756 391 E HN 0.269 nan 8.360 nan 0.000 0.477 392 D N -0.661 119.821 120.400 0.135 0.000 2.363 392 D HA 0.035 4.675 4.640 -0.000 0.000 0.214 392 D C -0.463 175.924 176.300 0.146 0.000 1.093 392 D CA 0.191 54.276 54.000 0.141 0.000 0.837 392 D CB 0.474 41.357 40.800 0.137 0.000 0.948 392 D HN -0.084 nan 8.370 nan 0.000 0.507 393 T N 0.670 115.321 114.554 0.162 0.000 2.727 393 T HA 0.218 4.568 4.350 -0.000 0.000 0.295 393 T C 1.328 176.081 174.700 0.090 0.000 0.915 393 T CA -0.087 62.103 62.100 0.150 0.000 1.066 393 T CB 1.279 70.248 68.868 0.168 0.000 0.891 393 T HN -0.021 nan 8.240 nan 0.000 0.516 394 R N 1.563 122.111 120.500 0.080 0.000 2.365 394 R HA 0.248 4.588 4.340 -0.000 0.000 0.223 394 R C -0.581 175.486 176.300 -0.388 0.000 0.899 394 R CA 0.303 56.331 56.100 -0.120 0.000 1.059 394 R CB 0.518 30.690 30.300 -0.212 0.000 1.086 394 R HN 0.453 nan 8.270 nan 0.000 0.522 395 F N -0.052 119.939 119.950 0.068 0.000 2.562 395 F HA 0.345 4.872 4.527 -0.000 0.000 0.319 395 F C -0.568 175.238 175.800 0.010 0.000 1.154 395 F CA -1.028 57.007 58.000 0.060 0.000 0.931 395 F CB 1.949 40.977 39.000 0.048 0.000 1.198 395 F HN -0.409 nan 8.300 nan 0.000 0.444 396 V N 4.620 124.623 119.914 0.149 0.000 2.378 396 V HA 0.556 4.676 4.120 -0.000 0.000 0.288 396 V C -0.630 175.470 176.094 0.009 0.000 1.016 396 V CA -0.752 61.553 62.300 0.008 0.000 0.840 396 V CB 1.762 33.527 31.823 -0.097 0.000 0.994 396 V HN 0.505 nan 8.190 nan 0.000 0.431 397 V N 6.582 126.453 119.914 -0.071 0.000 2.495 397 V HA 0.501 4.621 4.120 -0.000 0.000 0.298 397 V C -0.251 175.719 176.094 -0.207 0.000 1.031 397 V CA -0.559 61.633 62.300 -0.180 0.000 0.871 397 V CB 1.937 33.491 31.823 -0.448 0.000 0.988 397 V HN 0.634 nan 8.190 nan 0.000 0.432 398 L N 3.961 125.093 121.223 -0.152 0.000 2.301 398 L HA 0.489 4.829 4.340 -0.000 0.000 0.278 398 L C -0.340 176.461 176.870 -0.115 0.000 1.022 398 L CA -0.391 54.364 54.840 -0.142 0.000 0.854 398 L CB 1.348 43.347 42.059 -0.099 0.000 1.226 398 L HN 0.581 nan 8.230 nan 0.000 0.429 399 D N 3.356 123.663 120.400 -0.155 0.000 2.313 399 D HA 0.060 4.700 4.640 -0.000 0.000 0.247 399 D C 0.518 176.786 176.300 -0.054 0.000 1.094 399 D CA 0.257 54.223 54.000 -0.058 0.000 0.925 399 D CB 0.931 41.728 40.800 -0.006 0.000 1.188 399 D HN 0.388 nan 8.370 nan 0.000 0.430 400 E N 1.081 121.277 120.200 -0.007 0.000 2.440 400 E HA -0.259 4.091 4.350 -0.000 0.000 0.246 400 E C 0.945 177.445 176.600 -0.167 0.000 1.165 400 E CA 0.761 57.105 56.400 -0.093 0.000 0.726 400 E CB -1.885 27.733 29.700 -0.136 0.000 1.271 400 E HN 0.523 nan 8.360 nan 0.000 0.397 401 A N 1.270 123.999 122.820 -0.151 0.000 1.927 401 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 401 A C 1.927 179.302 177.584 -0.349 0.000 1.185 401 A CA 2.227 54.151 52.037 -0.189 0.000 0.639 401 A CB -0.354 18.630 19.000 -0.026 0.000 0.820 401 A HN 0.503 nan 8.150 nan 0.000 0.451 402 D N -0.490 119.483 120.400 -0.711 0.000 2.182 402 D HA -0.236 4.404 4.640 -0.000 0.000 0.201 402 D C 1.890 178.051 176.300 -0.233 0.000 0.986 402 D CA 1.709 55.317 54.000 -0.654 0.000 0.847 402 D CB -0.473 39.884 40.800 -0.739 0.000 0.942 402 D HN 0.401 nan 8.370 nan 0.000 0.467 403 R N -0.203 120.186 120.500 -0.184 0.000 2.093 403 R HA 0.059 4.398 4.340 -0.000 0.000 0.224 403 R C 2.265 178.590 176.300 0.043 0.000 1.101 403 R CA 0.843 56.912 56.100 -0.051 0.000 0.979 403 R CB -0.423 29.835 30.300 -0.071 0.000 0.877 403 R HN 0.071 nan 8.270 nan 0.000 0.441 404 M N 0.012 119.560 119.600 -0.086 0.000 2.296 404 M HA -0.024 4.455 4.480 -0.000 0.000 0.265 404 M C 1.522 177.829 176.300 0.012 0.000 1.064 404 M CA 1.284 56.505 55.300 -0.131 0.000 1.109 404 M CB -0.501 31.952 32.600 -0.245 0.000 1.396 404 M HN 0.149 nan 8.290 nan 0.000 0.430 405 L N -1.188 120.045 121.223 0.016 0.000 2.607 405 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 405 L C 0.776 177.705 176.870 0.098 0.000 1.123 405 L CA -0.360 54.524 54.840 0.073 0.000 0.890 405 L CB -0.198 41.931 42.059 0.118 0.000 1.103 405 L HN 0.096 nan 8.230 nan 0.000 0.468 406 D N -0.062 120.391 120.400 0.089 0.000 2.398 406 D HA 0.092 4.731 4.640 -0.000 0.000 0.247 406 D C 1.344 177.687 176.300 0.072 0.000 1.227 406 D CA -0.114 53.931 54.000 0.074 0.000 0.980 406 D CB 1.020 41.851 40.800 0.052 0.000 1.106 406 D HN -0.085 nan 8.370 nan 0.000 0.493 407 M N 0.462 120.088 119.600 0.043 0.000 2.116 407 M HA -0.201 4.279 4.480 -0.000 0.000 0.255 407 M C 2.020 178.313 176.300 -0.012 0.000 1.075 407 M CA 2.230 57.543 55.300 0.021 0.000 1.087 407 M CB -0.611 31.994 32.600 0.007 0.000 1.340 407 M HN 0.560 nan 8.290 nan 0.000 0.402 408 G N -0.473 108.294 108.800 -0.055 0.000 2.491 408 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 408 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 408 G C 1.180 175.932 174.900 -0.246 0.000 1.180 408 G CA 0.960 45.940 45.100 -0.199 0.000 0.774 408 G HN 0.462 nan 8.290 nan 0.000 0.562 409 F N 1.259 121.198 119.950 -0.018 0.000 2.731 409 F HA 0.098 4.625 4.527 -0.000 0.000 0.298 409 F C 2.869 178.651 175.800 -0.029 0.000 1.106 409 F CA 0.463 58.447 58.000 -0.026 0.000 1.329 409 F CB 0.370 39.344 39.000 -0.043 0.000 1.100 409 F HN 0.216 nan 8.300 nan 0.000 0.592 410 S N 0.308 116.097 115.700 0.148 0.000 2.372 410 S HA -0.312 4.158 4.470 -0.000 0.000 0.227 410 S C 1.807 176.446 174.600 0.066 0.000 1.044 410 S CA 1.805 60.062 58.200 0.094 0.000 1.050 410 S CB -0.692 62.567 63.200 0.099 0.000 0.901 410 S HN 0.498 nan 8.310 nan 0.000 0.447 411 E N 1.226 121.465 120.200 0.066 0.000 2.038 411 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 411 E C 1.909 178.538 176.600 0.048 0.000 1.000 411 E CA 1.652 58.085 56.400 0.055 0.000 0.803 411 E CB -0.319 29.409 29.700 0.047 0.000 0.750 411 E HN 0.561 nan 8.360 nan 0.000 0.448 412 D N -0.207 120.236 120.400 0.072 0.000 2.144 412 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 412 D C 1.723 178.028 176.300 0.007 0.000 0.984 412 D CA 0.894 54.935 54.000 0.069 0.000 0.834 412 D CB -0.036 40.850 40.800 0.144 0.000 0.955 412 D HN 0.040 nan 8.370 nan 0.000 0.465 413 M N 0.058 119.650 119.600 -0.013 0.000 2.175 413 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 413 M C 1.928 178.083 176.300 -0.243 0.000 1.063 413 M CA 1.291 56.506 55.300 -0.141 0.000 1.119 413 M CB -0.132 32.380 32.600 -0.146 0.000 1.377 413 M HN -0.160 nan 8.290 nan 0.000 0.415 414 R N -0.638 119.756 120.500 -0.176 0.000 2.073 414 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 414 R C 2.272 178.521 176.300 -0.084 0.000 1.134 414 R CA 1.673 57.668 56.100 -0.174 0.000 0.952 414 R CB -0.174 30.139 30.300 0.022 0.000 0.850 414 R HN 0.316 nan 8.270 nan 0.000 0.433 415 R N 0.170 120.658 120.500 -0.021 0.000 2.091 415 R HA -0.112 4.227 4.340 -0.000 0.000 0.238 415 R C 2.354 178.661 176.300 0.012 0.000 1.136 415 R CA 1.884 58.008 56.100 0.039 0.000 0.959 415 R CB -0.339 29.998 30.300 0.061 0.000 0.856 415 R HN 0.327 nan 8.270 nan 0.000 0.437 416 I N 0.356 120.868 120.570 -0.096 0.000 2.142 416 I HA -0.301 3.869 4.170 -0.000 0.000 0.240 416 I C 2.334 178.252 176.117 -0.331 0.000 1.078 416 I CA 1.514 62.682 61.300 -0.221 0.000 1.343 416 I CB -0.185 37.657 38.000 -0.263 0.000 1.046 416 I HN 0.189 nan 8.210 nan 0.000 0.405 417 M N -0.873 118.545 119.600 -0.304 0.000 2.419 417 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 417 M C 1.888 178.132 176.300 -0.094 0.000 1.082 417 M CA 1.201 56.332 55.300 -0.282 0.000 1.119 417 M CB -0.280 32.108 32.600 -0.354 0.000 1.398 417 M HN 0.125 nan 8.290 nan 0.000 0.453 418 T N -1.373 113.171 114.554 -0.017 0.000 3.069 418 T HA 0.022 4.372 4.350 -0.000 0.000 0.252 418 T C 0.105 174.881 174.700 0.127 0.000 1.053 418 T CA -0.176 61.980 62.100 0.094 0.000 0.964 418 T CB -0.324 68.618 68.868 0.125 0.000 1.005 418 T HN 0.222 nan 8.240 nan 0.000 0.532 419 H N 0.654 119.738 119.070 0.024 0.000 3.038 419 H HA 0.034 4.590 4.556 -0.000 0.000 0.338 419 H C 1.356 176.749 175.328 0.108 0.000 1.041 419 H CA 0.216 56.322 56.048 0.097 0.000 1.394 419 H CB 0.770 30.658 29.762 0.210 0.000 1.357 419 H HN -0.073 nan 8.280 nan 0.000 0.600 420 V N 3.315 123.063 119.914 -0.276 0.000 2.867 420 V HA -0.196 3.923 4.120 -0.000 0.000 0.260 420 V C 1.918 177.980 176.094 -0.053 0.000 1.099 420 V CA 2.234 64.446 62.300 -0.147 0.000 1.122 420 V CB -0.571 31.141 31.823 -0.185 0.000 0.708 420 V HN 0.821 nan 8.190 nan 0.000 0.490 421 T N -0.507 114.050 114.554 0.005 0.000 3.081 421 T HA 0.167 4.517 4.350 -0.000 0.000 0.255 421 T C 0.778 175.649 174.700 0.284 0.000 1.113 421 T CA -0.003 62.218 62.100 0.200 0.000 1.082 421 T CB -0.195 68.891 68.868 0.363 0.000 0.939 421 T HN 0.269 nan 8.240 nan 0.000 0.506 422 M N 3.039 122.811 119.600 0.287 0.000 2.269 422 M HA 0.114 4.594 4.480 -0.000 0.000 0.350 422 M C 0.356 176.751 176.300 0.159 0.000 1.429 422 M CA -0.724 54.691 55.300 0.191 0.000 1.063 422 M CB -0.024 32.605 32.600 0.048 0.000 1.841 422 M HN -0.034 nan 8.290 nan 0.000 0.455 423 R N 7.265 127.859 120.500 0.156 0.000 2.483 423 R HA 0.042 4.381 4.340 -0.000 0.000 0.329 423 R C -1.814 174.637 176.300 0.252 0.000 0.961 423 R CA -0.833 55.369 56.100 0.169 0.000 1.041 423 R CB 0.083 30.474 30.300 0.152 0.000 0.930 423 R HN 0.531 nan 8.270 nan 0.000 0.413 424 P HA -0.206 nan 4.420 nan 0.000 0.218 424 P C -0.530 176.828 177.300 0.097 0.000 1.154 424 P CA 1.485 64.676 63.100 0.152 0.000 0.872 424 P CB 0.185 31.936 31.700 0.084 0.000 0.790 425 E N 0.506 120.757 120.200 0.084 0.000 2.001 425 E HA 0.201 4.551 4.350 -0.000 0.000 0.279 425 E C -0.071 176.550 176.600 0.035 0.000 1.045 425 E CA -0.018 56.384 56.400 0.004 0.000 0.833 425 E CB -0.319 29.391 29.700 0.016 0.000 1.077 425 E HN 0.504 nan 8.360 nan 0.000 0.397 426 H N -0.428 118.607 119.070 -0.059 0.000 3.085 426 H HA 0.344 4.900 4.556 -0.000 0.000 0.356 426 H C -0.857 174.398 175.328 -0.122 0.000 1.178 426 H CA -0.857 55.119 56.048 -0.120 0.000 1.214 426 H CB 0.612 30.331 29.762 -0.071 0.000 1.881 426 H HN 0.054 nan 8.280 nan 0.000 0.538 427 Q N 1.452 121.180 119.800 -0.121 0.000 2.293 427 Q HA 0.457 4.797 4.340 -0.000 0.000 0.251 427 Q C -0.571 175.503 176.000 0.123 0.000 0.930 427 Q CA -0.442 55.325 55.803 -0.061 0.000 0.893 427 Q CB 1.550 30.225 28.738 -0.105 0.000 1.215 427 Q HN 0.690 nan 8.270 nan 0.000 0.425 428 T N 3.311 117.932 114.554 0.110 0.000 2.786 428 T HA 0.522 4.872 4.350 -0.000 0.000 0.283 428 T C -0.665 174.094 174.700 0.099 0.000 0.992 428 T CA -0.564 61.616 62.100 0.134 0.000 0.954 428 T CB 0.384 69.335 68.868 0.137 0.000 0.934 428 T HN 0.315 nan 8.240 nan 0.000 0.440 429 L N 3.879 125.167 121.223 0.109 0.000 2.362 429 L HA 0.681 5.021 4.340 -0.000 0.000 0.275 429 L C -0.395 176.542 176.870 0.112 0.000 0.998 429 L CA -0.812 54.110 54.840 0.137 0.000 0.820 429 L CB 1.799 44.035 42.059 0.295 0.000 1.270 429 L HN 0.428 nan 8.230 nan 0.000 0.415 430 M N 3.391 123.015 119.600 0.041 0.000 2.259 430 M HA 0.546 5.026 4.480 -0.000 0.000 0.304 430 M C -1.410 174.901 176.300 0.018 0.000 1.019 430 M CA -0.138 55.223 55.300 0.102 0.000 0.922 430 M CB 2.279 34.960 32.600 0.135 0.000 1.600 430 M HN 0.331 nan 8.290 nan 0.000 0.433 431 F N 0.504 120.497 119.950 0.072 0.000 2.576 431 F HA 0.778 5.305 4.527 -0.000 0.000 0.313 431 F C 0.128 175.990 175.800 0.103 0.000 1.078 431 F CA -0.643 57.431 58.000 0.123 0.000 0.921 431 F CB 2.376 41.465 39.000 0.147 0.000 1.232 431 F HN 0.565 nan 8.300 nan 0.000 0.459 432 S N 0.274 116.154 115.700 0.300 0.000 2.622 432 S HA 0.579 5.049 4.470 -0.000 0.000 0.275 432 S C -0.240 174.488 174.600 0.213 0.000 1.112 432 S CA 0.078 58.400 58.200 0.203 0.000 0.837 432 S CB 1.030 64.226 63.200 -0.007 0.000 1.082 432 S HN 0.866 nan 8.310 nan 0.000 0.456 433 A N 1.377 124.323 122.820 0.211 0.000 2.132 433 A HA 0.413 4.733 4.320 -0.000 0.000 0.213 433 A C 0.934 178.548 177.584 0.049 0.000 1.154 433 A CA 1.361 53.449 52.037 0.084 0.000 0.753 433 A CB -0.525 18.446 19.000 -0.048 0.000 0.826 433 A HN 1.329 nan 8.150 nan 0.000 0.469 434 T N -5.090 109.539 114.554 0.125 0.000 2.907 434 T HA 0.678 5.028 4.350 -0.000 0.000 0.292 434 T C -1.098 173.706 174.700 0.173 0.000 1.043 434 T CA -0.654 61.529 62.100 0.137 0.000 1.003 434 T CB 1.698 70.656 68.868 0.149 0.000 1.084 434 T HN 0.203 nan 8.240 nan 0.000 0.483 435 F N 1.599 121.617 119.950 0.112 0.000 3.508 435 F HA 0.389 4.916 4.527 -0.000 0.000 0.414 435 F C -2.873 172.985 175.800 0.096 0.000 1.119 435 F CA -1.916 56.150 58.000 0.110 0.000 1.383 435 F CB 1.093 40.170 39.000 0.128 0.000 2.460 435 F HN 0.395 nan 8.300 nan 0.000 0.737 436 P HA 0.086 nan 4.420 nan 0.000 0.264 436 P C 0.927 178.356 177.300 0.216 0.000 1.193 436 P CA 0.448 63.671 63.100 0.206 0.000 0.763 436 P CB 0.892 32.678 31.700 0.143 0.000 0.810 437 E N 2.990 123.266 120.200 0.128 0.000 2.108 437 E HA -0.324 4.026 4.350 -0.000 0.000 0.203 437 E C 1.780 178.423 176.600 0.072 0.000 1.022 437 E CA 1.911 58.350 56.400 0.066 0.000 0.823 437 E CB -0.042 29.673 29.700 0.025 0.000 0.744 437 E HN 0.558 nan 8.360 nan 0.000 0.456 438 E N 0.377 120.626 120.200 0.083 0.000 2.118 438 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 438 E C 2.119 178.787 176.600 0.113 0.000 0.992 438 E CA 1.261 57.707 56.400 0.077 0.000 0.804 438 E CB -0.458 29.282 29.700 0.067 0.000 0.741 438 E HN 0.457 nan 8.360 nan 0.000 0.458 439 I N 0.858 121.536 120.570 0.180 0.000 2.500 439 I HA -0.170 4.000 4.170 -0.000 0.000 0.252 439 I C 2.633 178.954 176.117 0.341 0.000 1.142 439 I CA 0.680 62.135 61.300 0.259 0.000 1.451 439 I CB -0.212 37.952 38.000 0.273 0.000 1.093 439 I HN 0.050 nan 8.210 nan 0.000 0.430 440 Q N 0.567 120.511 119.800 0.241 0.000 2.170 440 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 440 Q C 2.272 178.261 176.000 -0.019 0.000 0.976 440 Q CA 1.217 56.986 55.803 -0.057 0.000 0.858 440 Q CB -0.023 28.595 28.738 -0.201 0.000 0.907 440 Q HN 0.487 nan 8.270 nan 0.000 0.433 441 R N -0.070 120.446 120.500 0.026 0.000 2.090 441 R HA -0.009 4.331 4.340 -0.000 0.000 0.228 441 R C 2.232 178.539 176.300 0.012 0.000 1.110 441 R CA 1.145 57.251 56.100 0.009 0.000 0.973 441 R CB -0.125 30.179 30.300 0.007 0.000 0.869 441 R HN 0.285 nan 8.270 nan 0.000 0.440 442 M N 0.150 119.787 119.600 0.061 0.000 2.175 442 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 442 M C 2.523 178.874 176.300 0.084 0.000 1.063 442 M CA 1.533 56.877 55.300 0.073 0.000 1.119 442 M CB -0.305 32.387 32.600 0.154 0.000 1.377 442 M HN 0.221 nan 8.290 nan 0.000 0.415 443 A N 0.838 123.745 122.820 0.144 0.000 1.908 443 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 443 A C 2.369 179.946 177.584 -0.012 0.000 1.181 443 A CA 1.928 54.065 52.037 0.167 0.000 0.627 443 A CB -1.645 17.426 19.000 0.120 0.000 0.818 443 A HN 0.542 nan 8.150 nan 0.000 0.445 444 G N -0.494 108.251 108.800 -0.092 0.000 2.507 444 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.221 444 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.221 444 G C 1.409 176.238 174.900 -0.117 0.000 1.119 444 G CA 1.216 46.282 45.100 -0.057 0.000 0.751 444 G HN 0.713 nan 8.290 nan 0.000 0.574 445 E N -0.320 119.694 120.200 -0.311 0.000 2.153 445 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 445 E C 1.310 177.564 176.600 -0.577 0.000 0.988 445 E CA 0.610 56.693 56.400 -0.529 0.000 0.811 445 E CB -0.163 29.017 29.700 -0.868 0.000 0.746 445 E HN 0.608 nan 8.360 nan 0.000 0.466 446 F N 0.196 120.151 119.950 0.008 0.000 2.664 446 F HA 0.285 4.812 4.527 -0.000 0.000 0.303 446 F C 0.265 176.065 175.800 -0.001 0.000 1.092 446 F CA -0.320 57.688 58.000 0.014 0.000 1.305 446 F CB 0.459 39.468 39.000 0.016 0.000 1.054 446 F HN -0.150 nan 8.300 nan 0.000 0.565 447 L N 0.989 122.250 121.223 0.063 0.000 2.342 447 L HA 0.549 4.888 4.340 -0.000 0.000 0.271 447 L C -0.394 176.534 176.870 0.098 0.000 1.008 447 L CA -1.066 53.805 54.840 0.051 0.000 0.818 447 L CB 1.663 43.660 42.059 -0.104 0.000 1.296 447 L HN -0.213 nan 8.230 nan 0.000 0.427 448 K N 2.342 122.795 120.400 0.087 0.000 2.450 448 K HA 0.186 4.506 4.320 -0.000 0.000 0.257 448 K C -0.294 176.352 176.600 0.077 0.000 0.953 448 K CA -0.476 55.844 56.287 0.055 0.000 0.844 448 K CB 1.534 34.024 32.500 -0.016 0.000 1.103 448 K HN 0.701 nan 8.250 nan 0.000 0.429 449 N N 2.976 121.708 118.700 0.053 0.000 2.699 449 N HA -0.274 4.465 4.740 -0.000 0.000 0.256 449 N C -0.783 174.747 175.510 0.033 0.000 0.993 449 N CA 0.302 53.350 53.050 -0.003 0.000 0.759 449 N CB -0.713 37.766 38.487 -0.013 0.000 0.906 449 N HN 0.547 nan 8.380 nan 0.000 0.541 450 Y N -1.476 118.815 120.300 -0.016 0.000 2.301 450 Y HA 0.587 5.136 4.550 -0.000 0.000 0.328 450 Y C 0.008 175.912 175.900 0.008 0.000 1.242 450 Y CA -0.942 57.155 58.100 -0.005 0.000 1.323 450 Y CB 0.777 39.235 38.460 -0.002 0.000 1.266 450 Y HN -0.098 nan 8.280 nan 0.000 0.527 451 V N 5.230 125.268 119.914 0.208 0.000 2.509 451 V HA 0.219 4.339 4.120 -0.000 0.000 0.284 451 V C -0.629 175.626 176.094 0.268 0.000 1.047 451 V CA -0.680 61.690 62.300 0.116 0.000 0.952 451 V CB 0.851 32.713 31.823 0.064 0.000 0.988 451 V HN 0.769 nan 8.190 nan 0.000 0.469 452 F N 6.046 126.016 119.950 0.034 0.000 2.444 452 F HA 0.731 5.258 4.527 -0.000 0.000 0.342 452 F C -0.273 175.517 175.800 -0.017 0.000 1.121 452 F CA -0.672 57.359 58.000 0.052 0.000 0.997 452 F CB 1.654 40.674 39.000 0.034 0.000 1.130 452 F HN 0.381 nan 8.300 nan 0.000 0.454 453 V N 3.493 122.953 119.914 -0.757 0.000 2.638 453 V HA 0.980 5.100 4.120 -0.000 0.000 0.306 453 V C -1.377 174.257 176.094 -0.766 0.000 1.052 453 V CA -0.459 61.513 62.300 -0.547 0.000 0.885 453 V CB 1.059 32.717 31.823 -0.275 0.000 0.999 453 V HN 1.245 nan 8.190 nan 0.000 0.424 454 A N 5.623 128.169 122.820 -0.457 0.000 2.381 454 A HA 0.900 5.220 4.320 -0.000 0.000 0.299 454 A C -1.188 176.333 177.584 -0.105 0.000 1.049 454 A CA -0.492 51.380 52.037 -0.275 0.000 0.715 454 A CB 1.319 20.259 19.000 -0.101 0.000 1.222 454 A HN 0.977 nan 8.150 nan 0.000 0.428 455 I N 2.701 123.226 120.570 -0.075 0.000 2.328 455 I HA 0.626 4.796 4.170 -0.000 0.000 0.287 455 I C 0.955 177.070 176.117 -0.004 0.000 1.012 455 I CA 1.105 62.382 61.300 -0.038 0.000 1.195 455 I CB 0.927 38.900 38.000 -0.045 0.000 1.350 455 I HN 1.363 nan 8.210 nan 0.000 0.464 456 G N 5.863 114.668 108.800 0.007 0.000 2.632 456 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.224 456 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.224 456 G C -0.264 174.654 174.900 0.030 0.000 1.341 456 G CA -0.840 44.271 45.100 0.018 0.000 0.880 456 G HN 0.565 nan 8.290 nan 0.000 0.566 457 I N 0.827 121.416 120.570 0.032 0.000 2.396 457 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 457 I C 1.167 177.319 176.117 0.058 0.000 1.056 457 I CA -0.652 60.674 61.300 0.044 0.000 1.365 457 I CB 1.199 39.218 38.000 0.032 0.000 1.407 457 I HN 0.398 nan 8.210 nan 0.000 0.509 458 V N 6.736 126.704 119.914 0.089 0.000 2.617 458 V HA 0.047 4.167 4.120 -0.000 0.000 0.304 458 V C 1.392 177.545 176.094 0.098 0.000 1.040 458 V CA 1.337 63.708 62.300 0.119 0.000 1.149 458 V CB 0.302 32.237 31.823 0.187 0.000 0.914 458 V HN 1.174 nan 8.190 nan 0.000 0.487 459 G N 3.692 112.543 108.800 0.086 0.000 2.168 459 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.263 459 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.263 459 G C 0.562 175.477 174.900 0.025 0.000 0.977 459 G CA 0.046 45.178 45.100 0.053 0.000 0.659 459 G HN 1.414 nan 8.290 nan 0.000 0.533 460 G N -0.028 108.788 108.800 0.027 0.000 2.467 460 G HA2 0.704 4.664 3.960 -0.000 0.000 0.257 460 G HA3 0.704 4.664 3.960 -0.000 0.000 0.257 460 G C 0.503 175.405 174.900 0.003 0.000 1.227 460 G CA 0.647 45.759 45.100 0.020 0.000 0.835 460 G HN 1.488 nan 8.290 nan 0.000 0.556 461 A N 0.739 123.569 122.820 0.016 0.000 2.351 461 A HA 0.400 4.720 4.320 -0.000 0.000 0.257 461 A C 0.854 178.434 177.584 -0.006 0.000 1.087 461 A CA -0.280 51.759 52.037 0.003 0.000 0.798 461 A CB 0.277 19.307 19.000 0.050 0.000 1.033 461 A HN 1.320 nan 8.150 nan 0.000 0.488 462 C N 2.733 122.022 119.300 -0.018 0.000 2.627 462 C HA 0.327 4.787 4.460 -0.000 0.000 0.404 462 C C 1.863 176.839 174.990 -0.024 0.000 1.340 462 C CA 0.125 59.136 59.018 -0.012 0.000 1.758 462 C CB -1.217 26.522 27.740 -0.003 0.000 2.501 462 C HN 1.023 nan 8.230 nan 0.000 0.588 463 S N 2.569 118.244 115.700 -0.042 0.000 2.547 463 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 463 S C 0.937 175.484 174.600 -0.089 0.000 0.980 463 S CA 1.166 59.327 58.200 -0.065 0.000 0.941 463 S CB -0.252 62.896 63.200 -0.087 0.000 0.763 463 S HN 0.890 nan 8.310 nan 0.000 0.532 464 D N 1.738 122.093 120.400 -0.076 0.000 2.349 464 D HA 0.074 4.713 4.640 -0.000 0.000 0.215 464 D C 0.597 176.893 176.300 -0.006 0.000 1.016 464 D CA 0.385 54.351 54.000 -0.056 0.000 0.870 464 D CB 0.533 41.324 40.800 -0.015 0.000 0.917 464 D HN 0.530 nan 8.370 nan 0.000 0.524 465 V N -0.540 119.370 119.914 -0.006 0.000 2.348 465 V HA 0.284 4.403 4.120 -0.000 0.000 0.270 465 V C 0.223 176.322 176.094 0.009 0.000 1.037 465 V CA -1.044 61.263 62.300 0.010 0.000 0.872 465 V CB 1.745 33.571 31.823 0.006 0.000 1.002 465 V HN -0.235 nan 8.190 nan 0.000 0.464 466 K N 4.635 125.043 120.400 0.013 0.000 2.378 466 K HA 0.258 4.577 4.320 -0.000 0.000 0.288 466 K C -0.268 176.345 176.600 0.022 0.000 1.057 466 K CA 0.223 56.516 56.287 0.009 0.000 0.971 466 K CB 0.602 33.104 32.500 0.004 0.000 0.975 466 K HN 0.899 nan 8.250 nan 0.000 0.475 467 Q N 2.040 121.859 119.800 0.030 0.000 2.271 467 Q HA 0.307 4.647 4.340 -0.000 0.000 0.258 467 Q C -0.826 175.189 176.000 0.026 0.000 0.936 467 Q CA -0.513 55.325 55.803 0.057 0.000 0.909 467 Q CB 2.015 30.820 28.738 0.111 0.000 1.253 467 Q HN 0.411 nan 8.270 nan 0.000 0.440 468 T N 2.681 117.238 114.554 0.005 0.000 2.848 468 T HA 0.525 4.875 4.350 -0.000 0.000 0.285 468 T C -0.722 173.912 174.700 -0.109 0.000 0.995 468 T CA -0.606 61.436 62.100 -0.096 0.000 0.970 468 T CB 0.843 69.591 68.868 -0.200 0.000 0.976 468 T HN 0.328 nan 8.240 nan 0.000 0.441 469 I N 3.364 123.894 120.570 -0.068 0.000 2.389 469 I HA 0.377 4.547 4.170 -0.000 0.000 0.288 469 I C -0.727 175.560 176.117 0.283 0.000 0.999 469 I CA -1.005 60.363 61.300 0.113 0.000 1.129 469 I CB 0.968 39.047 38.000 0.131 0.000 1.288 469 I HN 0.707 nan 8.210 nan 0.000 0.444 470 Y N 3.435 123.957 120.300 0.370 0.000 2.360 470 Y HA 0.284 4.834 4.550 -0.000 0.000 0.337 470 Y C 0.807 176.692 175.900 -0.025 0.000 1.039 470 Y CA -0.844 57.359 58.100 0.172 0.000 1.109 470 Y CB 2.071 40.577 38.460 0.076 0.000 1.201 470 Y HN 0.503 nan 8.280 nan 0.000 0.458 471 E N 3.599 123.607 120.200 -0.320 0.000 1.941 471 E HA 0.321 4.670 4.350 -0.000 0.000 0.275 471 E C -1.497 174.954 176.600 -0.247 0.000 1.113 471 E CA -0.271 55.791 56.400 -0.563 0.000 0.878 471 E CB 0.390 29.395 29.700 -1.158 0.000 1.070 471 E HN 0.365 nan 8.360 nan 0.000 0.399 472 V N 4.294 124.130 119.914 -0.131 0.000 2.680 472 V HA 0.326 4.446 4.120 -0.000 0.000 0.309 472 V C 0.092 176.098 176.094 -0.148 0.000 1.052 472 V CA -1.203 60.978 62.300 -0.198 0.000 0.908 472 V CB 1.999 33.606 31.823 -0.361 0.000 1.001 472 V HN 0.609 nan 8.190 nan 0.000 0.431 473 N N 1.916 120.531 118.700 -0.141 0.000 2.508 473 N HA 0.253 4.993 4.740 -0.000 0.000 0.285 473 N C 0.957 176.385 175.510 -0.137 0.000 1.144 473 N CA -0.535 52.455 53.050 -0.099 0.000 0.978 473 N CB 1.761 40.224 38.487 -0.039 0.000 1.180 473 N HN 0.736 nan 8.380 nan 0.000 0.484 474 K N 1.179 121.480 120.400 -0.164 0.000 2.071 474 K HA -0.233 4.087 4.320 -0.000 0.000 0.217 474 K C 0.673 176.996 176.600 -0.462 0.000 1.054 474 K CA 1.982 58.062 56.287 -0.345 0.000 0.937 474 K CB -0.146 32.070 32.500 -0.472 0.000 0.719 474 K HN 0.538 nan 8.250 nan 0.000 0.454 475 Y N -0.995 119.269 120.300 -0.061 0.000 2.490 475 Y HA 0.194 4.744 4.550 -0.000 0.000 0.281 475 Y C 1.741 177.606 175.900 -0.058 0.000 1.174 475 Y CA 0.319 58.391 58.100 -0.046 0.000 1.295 475 Y CB 0.382 38.820 38.460 -0.036 0.000 1.062 475 Y HN 0.182 nan 8.280 nan 0.000 0.522 476 A N -0.450 122.356 122.820 -0.023 0.000 2.267 476 A HA 0.065 4.385 4.320 -0.000 0.000 0.213 476 A C 1.977 179.461 177.584 -0.167 0.000 1.192 476 A CA 0.074 52.066 52.037 -0.076 0.000 0.851 476 A CB -0.070 18.866 19.000 -0.108 0.000 0.881 476 A HN 0.247 nan 8.150 nan 0.000 0.494 477 K N -0.047 120.229 120.400 -0.208 0.000 2.057 477 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 477 K C 2.226 178.799 176.600 -0.044 0.000 1.049 477 K CA 1.394 57.506 56.287 -0.292 0.000 0.931 477 K CB -0.109 32.106 32.500 -0.474 0.000 0.714 477 K HN 0.389 nan 8.250 nan 0.000 0.440 478 R N 0.912 121.461 120.500 0.081 0.000 2.092 478 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 478 R C 2.486 178.879 176.300 0.156 0.000 1.119 478 R CA 1.821 58.032 56.100 0.185 0.000 0.970 478 R CB -0.049 30.250 30.300 -0.001 0.000 0.864 478 R HN 0.254 nan 8.270 nan 0.000 0.440 479 S N 0.427 116.178 115.700 0.086 0.000 2.368 479 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 479 S C 1.940 176.577 174.600 0.062 0.000 1.029 479 S CA 0.643 58.900 58.200 0.094 0.000 0.988 479 S CB -0.178 63.055 63.200 0.054 0.000 0.838 479 S HN 0.097 nan 8.310 nan 0.000 0.462 480 K N 1.614 121.990 120.400 -0.040 0.000 2.074 480 K HA 0.024 4.344 4.320 -0.000 0.000 0.209 480 K C 2.056 178.733 176.600 0.128 0.000 1.048 480 K CA 1.421 57.641 56.287 -0.111 0.000 0.926 480 K CB -1.111 31.076 32.500 -0.522 0.000 0.713 480 K HN 0.504 nan 8.250 nan 0.000 0.444 481 L N 0.259 121.656 121.223 0.290 0.000 1.989 481 L HA -0.231 4.108 4.340 -0.000 0.000 0.211 481 L C 2.232 179.218 176.870 0.192 0.000 1.071 481 L CA 1.393 56.468 54.840 0.391 0.000 0.749 481 L CB -0.247 42.086 42.059 0.456 0.000 0.890 481 L HN 0.087 nan 8.230 nan 0.000 0.431 482 I N 0.117 120.790 120.570 0.172 0.000 2.286 482 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 482 I C 2.504 178.714 176.117 0.156 0.000 1.115 482 I CA 1.181 62.560 61.300 0.131 0.000 1.392 482 I CB -0.532 37.625 38.000 0.262 0.000 1.065 482 I HN 0.312 nan 8.210 nan 0.000 0.418 483 E N 0.782 121.070 120.200 0.147 0.000 2.049 483 E HA -0.254 4.095 4.350 -0.000 0.000 0.198 483 E C 2.371 179.059 176.600 0.146 0.000 1.007 483 E CA 1.785 58.260 56.400 0.124 0.000 0.809 483 E CB -0.147 29.595 29.700 0.071 0.000 0.749 483 E HN 0.454 nan 8.360 nan 0.000 0.450 484 I N 0.803 121.480 120.570 0.178 0.000 2.142 484 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 484 I C 2.529 178.751 176.117 0.175 0.000 1.078 484 I CA 0.906 62.337 61.300 0.219 0.000 1.343 484 I CB -0.231 37.963 38.000 0.323 0.000 1.046 484 I HN 0.180 nan 8.210 nan 0.000 0.405 485 L N -0.195 121.085 121.223 0.094 0.000 2.083 485 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 485 L C 2.673 179.650 176.870 0.178 0.000 1.083 485 L CA 1.165 56.008 54.840 0.005 0.000 0.752 485 L CB -0.568 41.239 42.059 -0.421 0.000 0.899 485 L HN 0.212 nan 8.230 nan 0.000 0.433 486 S N -0.523 115.328 115.700 0.253 0.000 2.382 486 S HA -0.238 4.231 4.470 -0.000 0.000 0.228 486 S C 1.880 176.605 174.600 0.209 0.000 1.027 486 S CA 1.500 59.898 58.200 0.330 0.000 0.991 486 S CB -0.166 63.200 63.200 0.276 0.000 0.823 486 S HN 0.469 nan 8.310 nan 0.000 0.469 487 E N 0.526 120.826 120.200 0.167 0.000 2.110 487 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 487 E C 0.687 177.364 176.600 0.128 0.000 0.988 487 E CA 0.832 57.310 56.400 0.131 0.000 0.804 487 E CB 0.187 29.962 29.700 0.125 0.000 0.745 487 E HN 0.413 nan 8.360 nan 0.000 0.458 488 Q N -2.208 117.683 119.800 0.152 0.000 2.507 488 Q HA 0.330 4.670 4.340 -0.000 0.000 0.242 488 Q C -1.180 174.918 176.000 0.164 0.000 0.911 488 Q CA 0.198 56.085 55.803 0.141 0.000 1.019 488 Q CB 1.315 30.118 28.738 0.109 0.000 1.523 488 Q HN 0.092 nan 8.270 nan 0.000 0.459 489 A N 3.179 126.101 122.820 0.170 0.000 2.192 489 A HA 0.242 4.562 4.320 -0.000 0.000 0.208 489 A C -0.042 177.621 177.584 0.131 0.000 1.220 489 A CA 0.200 52.333 52.037 0.161 0.000 0.900 489 A CB 0.325 19.480 19.000 0.259 0.000 0.937 489 A HN 0.723 nan 8.150 nan 0.000 0.487 490 D N 0.403 120.863 120.400 0.099 0.000 2.472 490 D HA 0.398 5.038 4.640 -0.000 0.000 0.237 490 D C 1.178 177.508 176.300 0.049 0.000 1.141 490 D CA 1.764 55.788 54.000 0.041 0.000 0.875 490 D CB 0.314 41.121 40.800 0.012 0.000 1.192 490 D HN 0.525 nan 8.370 nan 0.000 0.450 491 G N 1.646 110.426 108.800 -0.033 0.000 2.323 491 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.292 491 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.292 491 G C 0.282 175.363 174.900 0.303 0.000 1.040 491 G CA 0.653 45.787 45.100 0.057 0.000 0.942 491 G HN 0.670 nan 8.290 nan 0.000 0.506 492 T N -0.636 114.127 114.554 0.349 0.000 2.841 492 T HA 0.669 5.019 4.350 -0.000 0.000 0.283 492 T C -0.096 174.651 174.700 0.078 0.000 1.000 492 T CA -0.728 61.492 62.100 0.199 0.000 0.977 492 T CB 1.310 70.233 68.868 0.092 0.000 0.979 492 T HN 0.786 nan 8.240 nan 0.000 0.446 493 I N 5.312 125.797 120.570 -0.142 0.000 2.406 493 I HA 0.643 4.813 4.170 -0.000 0.000 0.290 493 I C -1.252 174.599 176.117 -0.445 0.000 0.999 493 I CA -0.882 60.172 61.300 -0.409 0.000 1.124 493 I CB 1.439 39.090 38.000 -0.582 0.000 1.289 493 I HN 0.400 nan 8.210 nan 0.000 0.441 494 V N 8.013 127.665 119.914 -0.437 0.000 2.370 494 V HA 0.372 4.492 4.120 -0.000 0.000 0.283 494 V C -0.522 175.339 176.094 -0.388 0.000 1.023 494 V CA -0.432 61.671 62.300 -0.329 0.000 0.857 494 V CB 1.247 32.941 31.823 -0.214 0.000 0.985 494 V HN 0.442 nan 8.190 nan 0.000 0.443 495 F N 4.743 124.635 119.950 -0.096 0.000 2.410 495 F HA 0.635 5.162 4.527 -0.000 0.000 0.349 495 F C 0.374 176.163 175.800 -0.019 0.000 1.117 495 F CA -0.422 57.542 58.000 -0.061 0.000 1.104 495 F CB 1.757 40.728 39.000 -0.049 0.000 1.122 495 F HN 0.415 nan 8.300 nan 0.000 0.483 496 V N 0.563 120.565 119.914 0.146 0.000 3.046 496 V HA 0.615 4.735 4.120 -0.000 0.000 0.316 496 V C 0.507 176.656 176.094 0.092 0.000 1.104 496 V CA -0.756 61.600 62.300 0.094 0.000 1.006 496 V CB 1.912 33.707 31.823 -0.048 0.000 1.058 496 V HN 0.608 nan 8.190 nan 0.000 0.440 497 E N 1.723 121.963 120.200 0.067 0.000 2.072 497 E HA 0.043 4.393 4.350 -0.000 0.000 0.190 497 E C 0.980 177.585 176.600 0.009 0.000 0.982 497 E CA 1.727 58.150 56.400 0.038 0.000 0.803 497 E CB -0.171 29.544 29.700 0.024 0.000 0.755 497 E HN 1.101 nan 8.360 nan 0.000 0.453 498 T N -2.816 111.726 114.554 -0.020 0.000 2.942 498 T HA 0.406 4.756 4.350 -0.000 0.000 0.289 498 T C 0.705 175.343 174.700 -0.103 0.000 1.044 498 T CA -0.755 61.317 62.100 -0.046 0.000 1.023 498 T CB 1.619 70.454 68.868 -0.056 0.000 1.123 498 T HN -0.055 nan 8.240 nan 0.000 0.512 499 K N 0.272 120.595 120.400 -0.128 0.000 2.026 499 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 499 K C 2.555 178.901 176.600 -0.422 0.000 1.048 499 K CA 1.296 57.385 56.287 -0.330 0.000 0.929 499 K CB -0.145 32.270 32.500 -0.141 0.000 0.713 499 K HN 0.520 nan 8.250 nan 0.000 0.439 500 R N 0.029 120.409 120.500 -0.200 0.000 2.105 500 R HA -0.113 4.227 4.340 -0.000 0.000 0.239 500 R C 2.492 178.737 176.300 -0.091 0.000 1.135 500 R CA 1.355 57.380 56.100 -0.124 0.000 0.967 500 R CB -0.512 29.747 30.300 -0.068 0.000 0.861 500 R HN 0.347 nan 8.270 nan 0.000 0.442 501 G N 0.559 109.296 108.800 -0.105 0.000 2.418 501 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 501 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 501 G C 1.530 176.385 174.900 -0.075 0.000 1.158 501 G CA 0.777 45.833 45.100 -0.074 0.000 0.771 501 G HN 0.415 nan 8.290 nan 0.000 0.545 502 A N 0.832 123.561 122.820 -0.152 0.000 1.902 502 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 502 A C 2.064 179.595 177.584 -0.088 0.000 1.181 502 A CA 2.173 54.125 52.037 -0.142 0.000 0.623 502 A CB -0.555 18.355 19.000 -0.150 0.000 0.818 502 A HN 0.351 nan 8.150 nan 0.000 0.443 503 D N -1.669 118.656 120.400 -0.125 0.000 2.117 503 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 503 D C 1.613 177.940 176.300 0.045 0.000 0.982 503 D CA 1.425 55.424 54.000 -0.002 0.000 0.828 503 D CB -0.184 40.622 40.800 0.011 0.000 0.967 503 D HN 0.421 nan 8.370 nan 0.000 0.464 504 F N 0.533 120.444 119.950 -0.065 0.000 2.095 504 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 504 F C 1.881 177.678 175.800 -0.005 0.000 1.104 504 F CA 0.947 58.930 58.000 -0.028 0.000 1.232 504 F CB -0.325 38.642 39.000 -0.055 0.000 0.987 504 F HN 0.014 nan 8.300 nan 0.000 0.475 505 L N 0.774 122.024 121.223 0.045 0.000 2.093 505 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 505 L C 2.393 179.243 176.870 -0.034 0.000 1.085 505 L CA 1.976 56.778 54.840 -0.064 0.000 0.755 505 L CB -1.453 40.489 42.059 -0.195 0.000 0.904 505 L HN 0.178 nan 8.230 nan 0.000 0.435 506 A N -1.480 121.316 122.820 -0.040 0.000 1.902 506 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 506 A C 2.527 180.104 177.584 -0.012 0.000 1.181 506 A CA 1.920 53.949 52.037 -0.014 0.000 0.623 506 A CB -1.174 17.825 19.000 -0.002 0.000 0.818 506 A HN 0.530 nan 8.150 nan 0.000 0.443 507 S N -1.428 114.242 115.700 -0.050 0.000 2.356 507 S HA -0.181 4.289 4.470 -0.000 0.000 0.223 507 S C 1.779 176.327 174.600 -0.087 0.000 1.032 507 S CA 1.690 59.848 58.200 -0.071 0.000 1.005 507 S CB -0.567 62.572 63.200 -0.101 0.000 0.867 507 S HN 0.593 nan 8.310 nan 0.000 0.449 508 F N 2.209 121.977 119.950 -0.304 0.000 2.046 508 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 508 F C 1.942 177.696 175.800 -0.076 0.000 1.123 508 F CA 1.910 59.755 58.000 -0.259 0.000 1.199 508 F CB -0.657 38.121 39.000 -0.371 0.000 0.972 508 F HN 0.199 nan 8.300 nan 0.000 0.474 509 L N 0.288 121.558 121.223 0.079 0.000 2.013 509 L HA -0.301 4.039 4.340 -0.000 0.000 0.212 509 L C 2.786 179.695 176.870 0.065 0.000 1.073 509 L CA 1.908 56.796 54.840 0.080 0.000 0.753 509 L CB -1.201 40.929 42.059 0.118 0.000 0.890 509 L HN 0.420 nan 8.230 nan 0.000 0.432 510 S N -1.108 114.605 115.700 0.021 0.000 2.419 510 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 510 S C 1.671 176.234 174.600 -0.062 0.000 1.016 510 S CA 0.971 59.178 58.200 0.011 0.000 0.974 510 S CB -0.367 62.836 63.200 0.005 0.000 0.786 510 S HN 0.446 nan 8.310 nan 0.000 0.492 511 E N 1.010 121.131 120.200 -0.132 0.000 2.418 511 E HA 0.039 4.389 4.350 -0.000 0.000 0.197 511 E C 0.838 177.321 176.600 -0.195 0.000 1.026 511 E CA 0.527 56.831 56.400 -0.161 0.000 0.862 511 E CB 0.037 29.622 29.700 -0.192 0.000 0.799 511 E HN 0.568 nan 8.360 nan 0.000 0.518 512 K N 0.622 120.898 120.400 -0.206 0.000 2.576 512 K HA 0.084 4.404 4.320 -0.000 0.000 0.209 512 K C -0.726 175.709 176.600 -0.275 0.000 1.049 512 K CA 0.014 56.182 56.287 -0.199 0.000 1.140 512 K CB 0.538 32.931 32.500 -0.178 0.000 0.871 512 K HN 0.036 nan 8.250 nan 0.000 0.479 513 E N -0.080 119.979 120.200 -0.234 0.000 2.340 513 E HA -0.207 4.143 4.350 -0.000 0.000 0.240 513 E C -1.169 175.135 176.600 -0.493 0.000 1.154 513 E CA 0.484 56.693 56.400 -0.318 0.000 0.717 513 E CB -1.352 28.137 29.700 -0.351 0.000 1.250 513 E HN 0.240 nan 8.360 nan 0.000 0.386 514 F N -0.183 119.743 119.950 -0.041 0.000 2.553 514 F HA 0.319 4.846 4.527 -0.000 0.000 0.335 514 F C -2.185 173.609 175.800 -0.011 0.000 1.148 514 F CA -2.496 55.496 58.000 -0.013 0.000 0.963 514 F CB 1.759 40.759 39.000 0.001 0.000 1.217 514 F HN -0.246 nan 8.300 nan 0.000 0.441 515 P HA 0.095 nan 4.420 nan 0.000 0.263 515 P C -0.779 176.592 177.300 0.118 0.000 1.276 515 P CA 0.379 63.534 63.100 0.091 0.000 0.986 515 P CB 0.353 32.087 31.700 0.058 0.000 1.105 516 T N 1.724 116.338 114.554 0.101 0.000 2.863 516 T HA 0.616 4.966 4.350 -0.000 0.000 0.285 516 T C -0.212 174.523 174.700 0.059 0.000 1.009 516 T CA -0.469 61.684 62.100 0.089 0.000 0.989 516 T CB 1.989 70.904 68.868 0.077 0.000 1.004 516 T HN 0.142 nan 8.240 nan 0.000 0.455 517 T N 0.662 115.249 114.554 0.056 0.000 2.804 517 T HA 0.825 5.175 4.350 -0.000 0.000 0.290 517 T C -1.228 173.475 174.700 0.006 0.000 1.099 517 T CA -0.459 61.662 62.100 0.034 0.000 1.011 517 T CB 1.430 70.326 68.868 0.046 0.000 1.291 517 T HN 0.868 nan 8.240 nan 0.000 0.523 518 S N 0.680 116.380 115.700 0.001 0.000 2.638 518 S HA 0.818 5.287 4.470 -0.000 0.000 0.274 518 S C -1.451 173.138 174.600 -0.019 0.000 1.157 518 S CA -0.843 57.357 58.200 -0.000 0.000 0.826 518 S CB 1.463 64.708 63.200 0.075 0.000 1.139 518 S HN 0.951 nan 8.310 nan 0.000 0.474 519 I N 2.206 122.774 120.570 -0.003 0.000 2.610 519 I HA 0.611 4.781 4.170 -0.000 0.000 0.289 519 I C -1.413 174.723 176.117 0.031 0.000 1.163 519 I CA -0.180 61.083 61.300 -0.062 0.000 1.044 519 I CB 1.513 39.463 38.000 -0.083 0.000 1.251 519 I HN 1.108 nan 8.210 nan 0.000 0.424 520 H N 3.345 122.400 119.070 -0.025 0.000 2.904 520 H HA 0.248 4.804 4.556 -0.000 0.000 0.290 520 H C -0.016 175.310 175.328 -0.003 0.000 1.437 520 H CA -0.346 55.698 56.048 -0.008 0.000 1.147 520 H CB 1.095 30.853 29.762 -0.006 0.000 1.824 520 H HN 0.527 nan 8.280 nan 0.000 0.505 521 G N -0.326 108.542 108.800 0.114 0.000 2.498 521 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 521 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 521 G C 0.411 175.342 174.900 0.051 0.000 1.119 521 G CA 0.867 46.001 45.100 0.057 0.000 0.766 521 G HN 0.565 nan 8.290 nan 0.000 0.552 522 D N -0.223 120.294 120.400 0.195 0.000 2.340 522 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 522 D C 1.282 177.558 176.300 -0.039 0.000 1.039 522 D CA 0.061 54.152 54.000 0.151 0.000 0.866 522 D CB 0.320 41.330 40.800 0.350 0.000 0.913 522 D HN 0.274 nan 8.370 nan 0.000 0.523 523 R N 0.230 120.527 120.500 -0.338 0.000 2.573 523 R HA 0.335 4.675 4.340 -0.000 0.000 0.272 523 R C -0.192 176.008 176.300 -0.167 0.000 1.009 523 R CA -1.049 54.889 56.100 -0.270 0.000 1.059 523 R CB 1.148 31.206 30.300 -0.404 0.000 1.112 523 R HN -0.113 nan 8.270 nan 0.000 0.517 524 L N 2.235 123.377 121.223 -0.136 0.000 2.461 524 L HA -0.029 4.311 4.340 -0.000 0.000 0.272 524 L C 1.608 178.364 176.870 -0.190 0.000 1.197 524 L CA 0.532 55.291 54.840 -0.137 0.000 0.836 524 L CB 0.484 42.461 42.059 -0.138 0.000 1.105 524 L HN 0.605 nan 8.230 nan 0.000 0.477 525 Q N 1.774 121.461 119.800 -0.188 0.000 2.197 525 Q HA -0.199 4.141 4.340 -0.000 0.000 0.207 525 Q C 1.999 177.757 176.000 -0.404 0.000 0.984 525 Q CA 2.085 57.772 55.803 -0.193 0.000 0.869 525 Q CB -0.009 28.691 28.738 -0.063 0.000 0.906 525 Q HN 0.858 nan 8.270 nan 0.000 0.426 526 S N -0.895 114.373 115.700 -0.721 0.000 2.402 526 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 526 S C 1.806 176.223 174.600 -0.306 0.000 1.021 526 S CA 1.043 58.759 58.200 -0.806 0.000 0.974 526 S CB -0.337 62.371 63.200 -0.820 0.000 0.800 526 S HN 0.509 nan 8.310 nan 0.000 0.484 527 Q N 0.925 120.588 119.800 -0.229 0.000 2.123 527 Q HA 0.065 4.404 4.340 -0.000 0.000 0.199 527 Q C 2.484 178.413 176.000 -0.119 0.000 0.966 527 Q CA 0.910 56.631 55.803 -0.137 0.000 0.845 527 Q CB -0.173 28.491 28.738 -0.123 0.000 0.907 527 Q HN 0.573 nan 8.270 nan 0.000 0.439 528 R N 0.917 121.332 120.500 -0.141 0.000 2.073 528 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 528 R C 2.087 178.348 176.300 -0.065 0.000 1.134 528 R CA 1.519 57.553 56.100 -0.109 0.000 0.952 528 R CB -0.087 30.151 30.300 -0.105 0.000 0.850 528 R HN 0.319 nan 8.270 nan 0.000 0.433 529 E N 0.157 120.325 120.200 -0.053 0.000 2.047 529 E HA -0.243 4.107 4.350 -0.000 0.000 0.191 529 E C 2.065 178.673 176.600 0.014 0.000 0.987 529 E CA 1.064 57.467 56.400 0.005 0.000 0.799 529 E CB 0.015 29.762 29.700 0.078 0.000 0.752 529 E HN 0.140 nan 8.360 nan 0.000 0.449 530 Q N 0.882 120.681 119.800 -0.001 0.000 2.135 530 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 530 Q C 1.871 177.882 176.000 0.018 0.000 0.981 530 Q CA 1.804 57.615 55.803 0.014 0.000 0.856 530 Q CB -0.307 28.430 28.738 -0.001 0.000 0.902 530 Q HN 0.253 nan 8.270 nan 0.000 0.425 531 A N 0.022 122.842 122.820 -0.000 0.000 1.933 531 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 531 A C 2.085 179.699 177.584 0.050 0.000 1.175 531 A CA 1.373 53.418 52.037 0.014 0.000 0.628 531 A CB -0.666 18.320 19.000 -0.023 0.000 0.814 531 A HN 0.461 nan 8.150 nan 0.000 0.444 532 L N -1.383 119.859 121.223 0.031 0.000 2.056 532 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 532 L C 2.847 179.780 176.870 0.105 0.000 1.078 532 L CA 1.041 55.916 54.840 0.060 0.000 0.749 532 L CB -0.542 41.530 42.059 0.022 0.000 0.901 532 L HN 0.345 nan 8.230 nan 0.000 0.433 533 R N 1.021 121.563 120.500 0.070 0.000 2.097 533 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 533 R C 1.780 178.122 176.300 0.070 0.000 1.135 533 R CA 2.177 58.314 56.100 0.063 0.000 0.934 533 R CB -0.889 29.441 30.300 0.049 0.000 0.846 533 R HN 0.361 nan 8.270 nan 0.000 0.431 534 D N -0.550 119.893 120.400 0.072 0.000 2.182 534 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 534 D C 1.780 178.127 176.300 0.079 0.000 0.986 534 D CA 1.011 55.049 54.000 0.063 0.000 0.847 534 D CB -0.398 40.439 40.800 0.062 0.000 0.942 534 D HN 0.245 nan 8.370 nan 0.000 0.467 535 F N 1.478 121.423 119.950 -0.008 0.000 2.206 535 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 535 F C 2.144 177.942 175.800 -0.004 0.000 1.090 535 F CA 1.030 59.025 58.000 -0.009 0.000 1.323 535 F CB 0.216 39.205 39.000 -0.020 0.000 1.028 535 F HN -0.217 nan 8.300 nan 0.000 0.492 536 K N 0.119 120.597 120.400 0.130 0.000 2.057 536 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 536 K C 1.101 177.681 176.600 -0.032 0.000 1.050 536 K CA 1.528 57.847 56.287 0.054 0.000 0.935 536 K CB -0.422 32.123 32.500 0.075 0.000 0.715 536 K HN 0.350 nan 8.250 nan 0.000 0.439 537 N N -0.624 118.059 118.700 -0.028 0.000 2.313 537 N HA 0.057 4.797 4.740 -0.000 0.000 0.207 537 N C 0.775 176.242 175.510 -0.070 0.000 1.141 537 N CA 0.636 53.661 53.050 -0.041 0.000 0.830 537 N CB 0.777 39.255 38.487 -0.016 0.000 1.008 537 N HN 0.227 nan 8.380 nan 0.000 0.481 538 G N -0.751 107.970 108.800 -0.131 0.000 2.234 538 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.260 538 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.260 538 G C 1.300 176.140 174.900 -0.100 0.000 0.987 538 G CA 0.581 45.591 45.100 -0.149 0.000 0.625 538 G HN 0.371 nan 8.290 nan 0.000 0.532 539 S N -0.044 115.622 115.700 -0.056 0.000 2.368 539 S HA -0.030 4.440 4.470 -0.000 0.000 0.226 539 S C 1.283 175.874 174.600 -0.015 0.000 1.044 539 S CA 1.627 59.813 58.200 -0.024 0.000 1.062 539 S CB -0.153 63.046 63.200 -0.001 0.000 0.931 539 S HN 0.556 nan 8.310 nan 0.000 0.440 540 M N 0.920 120.515 119.600 -0.008 0.000 2.336 540 M HA 0.362 4.842 4.480 -0.000 0.000 0.342 540 M C 0.392 176.673 176.300 -0.030 0.000 1.128 540 M CA -0.362 54.962 55.300 0.040 0.000 1.016 540 M CB 1.573 34.252 32.600 0.131 0.000 1.665 540 M HN -0.070 nan 8.290 nan 0.000 0.445 541 K N 1.295 121.709 120.400 0.024 0.000 2.334 541 K HA 0.283 4.602 4.320 -0.000 0.000 0.195 541 K C 0.091 176.785 176.600 0.158 0.000 1.045 541 K CA 0.527 56.805 56.287 -0.014 0.000 1.004 541 K CB 0.523 33.050 32.500 0.046 0.000 0.837 541 K HN 0.459 nan 8.250 nan 0.000 0.510 542 V N 2.159 122.222 119.914 0.248 0.000 2.588 542 V HA 0.376 4.496 4.120 -0.000 0.000 0.304 542 V C -0.643 175.574 176.094 0.204 0.000 1.042 542 V CA -0.839 61.608 62.300 0.245 0.000 0.877 542 V CB 2.607 34.481 31.823 0.085 0.000 0.996 542 V HN 0.040 nan 8.190 nan 0.000 0.425 543 L N 5.631 126.864 121.223 0.017 0.000 2.319 543 L HA 0.581 4.921 4.340 -0.000 0.000 0.281 543 L C -1.102 175.599 176.870 -0.282 0.000 1.005 543 L CA -0.568 54.129 54.840 -0.239 0.000 0.828 543 L CB 1.400 43.004 42.059 -0.760 0.000 1.227 543 L HN 0.468 nan 8.230 nan 0.000 0.415 544 I N 4.009 124.463 120.570 -0.192 0.000 2.353 544 I HA 0.631 4.801 4.170 -0.000 0.000 0.293 544 I C 0.346 176.348 176.117 -0.192 0.000 0.992 544 I CA -0.264 60.915 61.300 -0.202 0.000 1.268 544 I CB 1.265 39.187 38.000 -0.130 0.000 1.387 544 I HN 0.630 nan 8.210 nan 0.000 0.478 545 A N 4.509 127.184 122.820 -0.241 0.000 2.587 545 A HA 0.797 5.117 4.320 -0.000 0.000 0.293 545 A C -0.113 177.493 177.584 0.037 0.000 1.087 545 A CA -0.482 51.477 52.037 -0.129 0.000 0.692 545 A CB 1.582 20.434 19.000 -0.247 0.000 1.291 545 A HN 0.709 nan 8.150 nan 0.000 0.407 546 T N -1.493 113.139 114.554 0.130 0.000 2.880 546 T HA 0.462 4.812 4.350 -0.000 0.000 0.279 546 T C 0.966 175.824 174.700 0.263 0.000 0.990 546 T CA 0.285 62.488 62.100 0.171 0.000 0.938 546 T CB 0.802 69.737 68.868 0.112 0.000 1.206 546 T HN 0.556 nan 8.240 nan 0.000 0.573 547 S N -0.055 115.741 115.700 0.159 0.000 2.641 547 S HA -0.037 4.433 4.470 -0.000 0.000 0.239 547 S C 1.782 176.435 174.600 0.088 0.000 0.972 547 S CA 0.202 58.450 58.200 0.080 0.000 0.954 547 S CB -0.742 62.446 63.200 -0.021 0.000 0.767 547 S HN 0.559 nan 8.310 nan 0.000 0.539 548 V N 1.192 121.176 119.914 0.116 0.000 2.759 548 V HA -0.005 4.114 4.120 -0.000 0.000 0.256 548 V C 1.673 177.819 176.094 0.087 0.000 1.080 548 V CA 1.680 64.028 62.300 0.082 0.000 1.101 548 V CB -0.301 31.564 31.823 0.070 0.000 0.698 548 V HN 0.533 nan 8.190 nan 0.000 0.477 549 A N -0.818 122.105 122.820 0.173 0.000 2.535 549 A HA 0.287 4.607 4.320 -0.000 0.000 0.273 549 A C 2.026 179.789 177.584 0.298 0.000 1.267 549 A CA 0.667 52.816 52.037 0.187 0.000 0.940 549 A CB -0.119 18.950 19.000 0.114 0.000 1.101 549 A HN 0.683 nan 8.150 nan 0.000 0.521 550 S N -0.136 115.652 115.700 0.147 0.000 2.436 550 S HA 0.101 4.571 4.470 -0.000 0.000 0.228 550 S C 0.907 175.497 174.600 -0.017 0.000 1.014 550 S CA 0.056 58.200 58.200 -0.093 0.000 0.950 550 S CB -0.044 62.951 63.200 -0.341 0.000 0.784 550 S HN 0.533 nan 8.310 nan 0.000 0.504 551 R N 0.372 120.855 120.500 -0.029 0.000 2.460 551 R HA 0.564 4.904 4.340 -0.000 0.000 0.303 551 R C 1.245 177.552 176.300 0.011 0.000 0.968 551 R CA 0.001 56.069 56.100 -0.053 0.000 0.889 551 R CB 1.133 31.288 30.300 -0.241 0.000 1.123 551 R HN 0.278 nan 8.270 nan 0.000 0.455 552 G N 2.322 111.161 108.800 0.064 0.000 2.413 552 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.259 552 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.259 552 G C 0.372 175.306 174.900 0.057 0.000 1.003 552 G CA 0.181 45.320 45.100 0.065 0.000 0.629 552 G HN 0.462 nan 8.290 nan 0.000 0.548 553 L N 1.104 122.358 121.223 0.051 0.000 2.540 553 L HA 0.264 4.603 4.340 -0.000 0.000 0.276 553 L C 0.243 177.148 176.870 0.057 0.000 1.212 553 L CA 0.437 55.303 54.840 0.044 0.000 0.893 553 L CB 0.498 42.578 42.059 0.036 0.000 1.138 553 L HN 0.271 nan 8.230 nan 0.000 0.491 554 D N 4.116 124.546 120.400 0.049 0.000 2.477 554 D HA 0.457 5.097 4.640 -0.000 0.000 0.239 554 D C -0.887 175.452 176.300 0.064 0.000 1.102 554 D CA -0.326 53.709 54.000 0.059 0.000 0.901 554 D CB 0.507 41.335 40.800 0.048 0.000 1.026 554 D HN 0.158 nan 8.370 nan 0.000 0.515 555 I N 3.499 124.121 120.570 0.086 0.000 2.382 555 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 555 I C 1.468 177.660 176.117 0.125 0.000 1.002 555 I CA -0.577 60.793 61.300 0.117 0.000 1.135 555 I CB 1.847 39.949 38.000 0.169 0.000 1.288 555 I HN 0.252 nan 8.210 nan 0.000 0.448 556 K N 3.770 124.227 120.400 0.095 0.000 2.103 556 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 556 K C 1.266 177.914 176.600 0.080 0.000 1.048 556 K CA 1.604 57.937 56.287 0.077 0.000 0.930 556 K CB 0.141 32.670 32.500 0.048 0.000 0.716 556 K HN 0.537 nan 8.250 nan 0.000 0.444 557 N N 0.726 119.476 118.700 0.084 0.000 2.512 557 N HA -0.027 4.713 4.740 -0.000 0.000 0.183 557 N C -0.034 175.560 175.510 0.141 0.000 1.073 557 N CA 0.518 53.587 53.050 0.031 0.000 0.911 557 N CB -0.012 38.375 38.487 -0.167 0.000 0.964 557 N HN 0.210 nan 8.380 nan 0.000 0.447 558 I N 1.463 122.195 120.570 0.269 0.000 2.460 558 I HA -0.040 4.130 4.170 -0.000 0.000 0.297 558 I C 1.083 177.312 176.117 0.186 0.000 1.139 558 I CA 0.339 61.814 61.300 0.292 0.000 1.340 558 I CB 0.304 38.435 38.000 0.218 0.000 1.444 558 I HN -0.088 nan 8.210 nan 0.000 0.557 559 K N 3.969 124.478 120.400 0.182 0.000 2.367 559 K HA 0.160 4.480 4.320 -0.000 0.000 0.194 559 K C 0.268 176.989 176.600 0.202 0.000 1.027 559 K CA 0.204 56.579 56.287 0.146 0.000 1.075 559 K CB 0.425 32.987 32.500 0.104 0.000 0.845 559 K HN 0.572 nan 8.250 nan 0.000 0.529 560 H N -0.322 118.802 119.070 0.090 0.000 3.026 560 H HA 0.248 4.804 4.556 -0.000 0.000 0.352 560 H C -1.814 173.547 175.328 0.055 0.000 1.090 560 H CA -0.773 55.317 56.048 0.069 0.000 1.268 560 H CB 1.755 31.558 29.762 0.069 0.000 1.816 560 H HN -0.249 nan 8.280 nan 0.000 0.518 561 V N 7.085 127.074 119.914 0.126 0.000 2.409 561 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 561 V C -0.015 175.975 176.094 -0.175 0.000 1.020 561 V CA -0.483 61.806 62.300 -0.018 0.000 0.848 561 V CB 1.372 33.269 31.823 0.123 0.000 0.990 561 V HN 0.518 nan 8.190 nan 0.000 0.430 562 I N 4.587 125.005 120.570 -0.254 0.000 2.389 562 I HA 0.421 4.590 4.170 -0.000 0.000 0.288 562 I C -0.174 175.869 176.117 -0.124 0.000 0.999 562 I CA -0.541 60.584 61.300 -0.291 0.000 1.129 562 I CB 1.678 39.423 38.000 -0.425 0.000 1.288 562 I HN 0.494 nan 8.210 nan 0.000 0.444 563 N N 5.790 124.427 118.700 -0.104 0.000 2.602 563 N HA 0.044 4.784 4.740 -0.000 0.000 0.238 563 N C 0.548 175.950 175.510 -0.181 0.000 1.084 563 N CA -0.084 52.972 53.050 0.010 0.000 0.952 563 N CB 0.726 39.279 38.487 0.110 0.000 1.244 563 N HN 0.600 nan 8.380 nan 0.000 0.512 564 Y N 1.601 121.736 120.300 -0.276 0.000 2.181 564 Y HA -0.102 4.448 4.550 -0.000 0.000 0.288 564 Y C -0.149 175.732 175.900 -0.033 0.000 1.146 564 Y CA 1.266 59.195 58.100 -0.284 0.000 1.164 564 Y CB 0.487 38.864 38.460 -0.140 0.000 0.982 564 Y HN 0.281 nan 8.280 nan 0.000 0.515 565 D N 0.426 120.938 120.400 0.186 0.000 2.502 565 D HA 0.196 4.836 4.640 -0.000 0.000 0.249 565 D C -0.405 175.949 176.300 0.090 0.000 1.092 565 D CA -0.340 53.732 54.000 0.119 0.000 0.839 565 D CB 1.504 42.392 40.800 0.146 0.000 1.264 565 D HN 0.039 nan 8.370 nan 0.000 0.511 566 M N 2.609 122.243 119.600 0.056 0.000 2.240 566 M HA 0.228 4.708 4.480 -0.000 0.000 0.333 566 M C -1.978 174.353 176.300 0.052 0.000 1.110 566 M CA -1.314 54.033 55.300 0.078 0.000 1.173 566 M CB 0.164 32.789 32.600 0.042 0.000 1.458 566 M HN 0.121 nan 8.290 nan 0.000 0.458 567 P HA 0.213 nan 4.420 nan 0.000 0.278 567 P C 0.102 177.417 177.300 0.026 0.000 1.266 567 P CA -0.262 62.861 63.100 0.037 0.000 0.807 567 P CB 0.433 32.155 31.700 0.037 0.000 1.094 568 S N -1.025 114.684 115.700 0.014 0.000 2.528 568 S HA 0.077 4.547 4.470 -0.000 0.000 0.219 568 S C 0.560 175.171 174.600 0.019 0.000 0.985 568 S CA 0.267 58.471 58.200 0.007 0.000 0.914 568 S CB -0.309 62.891 63.200 -0.000 0.000 0.776 568 S HN 0.389 nan 8.310 nan 0.000 0.526 569 K N 0.185 120.604 120.400 0.031 0.000 2.324 569 K HA 0.463 4.783 4.320 -0.000 0.000 0.253 569 K C -0.046 176.594 176.600 0.067 0.000 0.932 569 K CA -0.681 55.631 56.287 0.042 0.000 0.799 569 K CB 1.755 34.280 32.500 0.041 0.000 1.154 569 K HN -0.065 nan 8.250 nan 0.000 0.425 570 I N 2.079 122.686 120.570 0.062 0.000 2.454 570 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 570 I C 1.131 177.330 176.117 0.137 0.000 1.156 570 I CA 1.720 63.070 61.300 0.082 0.000 1.433 570 I CB -0.082 37.940 38.000 0.036 0.000 1.082 570 I HN 0.638 nan 8.210 nan 0.000 0.432 571 D N 0.217 120.684 120.400 0.111 0.000 2.144 571 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 571 D C 1.833 178.247 176.300 0.191 0.000 0.984 571 D CA 1.340 55.419 54.000 0.132 0.000 0.834 571 D CB -0.275 40.610 40.800 0.141 0.000 0.955 571 D HN 0.391 nan 8.370 nan 0.000 0.465 572 D N -0.845 119.643 120.400 0.145 0.000 2.144 572 D HA -0.194 4.445 4.640 -0.000 0.000 0.199 572 D C 1.916 178.240 176.300 0.040 0.000 0.984 572 D CA 0.658 54.711 54.000 0.089 0.000 0.834 572 D CB -0.158 40.653 40.800 0.018 0.000 0.955 572 D HN 0.231 nan 8.370 nan 0.000 0.465 573 Y N 0.345 120.621 120.300 -0.040 0.000 2.145 573 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 573 Y C 2.112 177.971 175.900 -0.068 0.000 1.145 573 Y CA 1.430 59.494 58.100 -0.059 0.000 1.148 573 Y CB -0.436 38.014 38.460 -0.017 0.000 0.981 573 Y HN -0.118 nan 8.280 nan 0.000 0.507 574 V N 0.599 120.517 119.914 0.008 0.000 2.295 574 V HA -0.344 3.776 4.120 -0.000 0.000 0.246 574 V C 2.426 178.358 176.094 -0.271 0.000 1.049 574 V CA 2.380 64.590 62.300 -0.151 0.000 1.024 574 V CB -0.816 30.939 31.823 -0.114 0.000 0.648 574 V HN 0.546 nan 8.190 nan 0.000 0.447 575 H N 0.149 119.150 119.070 -0.116 0.000 2.326 575 H HA -0.068 4.487 4.556 -0.000 0.000 0.301 575 H C 2.595 177.808 175.328 -0.191 0.000 1.081 575 H CA 1.722 57.699 56.048 -0.119 0.000 1.334 575 H CB -0.123 29.578 29.762 -0.101 0.000 1.385 575 H HN 0.384 nan 8.280 nan 0.000 0.504 576 R N 0.701 121.062 120.500 -0.232 0.000 2.094 576 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 576 R C 2.628 178.814 176.300 -0.189 0.000 1.137 576 R CA 1.932 57.757 56.100 -0.459 0.000 0.943 576 R CB -0.504 29.290 30.300 -0.844 0.000 0.850 576 R HN 0.409 nan 8.270 nan 0.000 0.433 577 I N -2.285 118.105 120.570 -0.301 0.000 2.756 577 I HA 0.040 4.209 4.170 -0.000 0.000 0.262 577 I C 1.793 177.857 176.117 -0.090 0.000 1.225 577 I CA 1.503 62.678 61.300 -0.208 0.000 1.472 577 I CB -0.381 37.381 38.000 -0.396 0.000 1.094 577 I HN 0.034 nan 8.210 nan 0.000 0.454 578 G N 1.092 109.839 108.800 -0.088 0.000 2.848 578 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.208 578 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.208 578 G C 1.446 176.371 174.900 0.042 0.000 1.152 578 G CA -0.194 44.893 45.100 -0.022 0.000 0.789 578 G HN 0.193 nan 8.290 nan 0.000 0.531 579 R N 0.131 120.676 120.500 0.075 0.000 2.316 579 R HA 0.088 4.427 4.340 -0.000 0.000 0.202 579 R C 0.459 176.820 176.300 0.102 0.000 1.029 579 R CA 0.285 56.452 56.100 0.111 0.000 1.018 579 R CB -0.637 29.766 30.300 0.171 0.000 0.888 579 R HN 0.210 nan 8.270 nan 0.000 0.471 580 T N -1.666 112.942 114.554 0.090 0.000 2.926 580 T HA 0.493 4.843 4.350 -0.000 0.000 0.289 580 T C -0.009 174.736 174.700 0.074 0.000 1.054 580 T CA -0.086 62.070 62.100 0.093 0.000 1.015 580 T CB 2.034 70.967 68.868 0.108 0.000 1.167 580 T HN 0.267 nan 8.240 nan 0.000 0.526 581 G N 2.371 111.218 108.800 0.078 0.000 2.359 581 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.298 581 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.298 581 G C -0.116 174.830 174.900 0.077 0.000 1.030 581 G CA 0.100 45.243 45.100 0.071 0.000 1.149 581 G HN 0.665 nan 8.290 nan 0.000 0.512 582 R N -0.822 119.735 120.500 0.094 0.000 2.758 582 R HA 0.660 5.000 4.340 -0.000 0.000 0.265 582 R C 1.124 177.516 176.300 0.153 0.000 1.016 582 R CA -0.577 55.593 56.100 0.117 0.000 1.040 582 R CB 1.396 31.762 30.300 0.110 0.000 1.152 582 R HN 0.735 nan 8.270 nan 0.000 0.503 583 V N -0.207 119.840 119.914 0.222 0.000 4.935 583 V HA -0.254 3.866 4.120 -0.000 0.000 0.273 583 V C 1.043 177.342 176.094 0.342 0.000 0.517 583 V CA 1.347 63.854 62.300 0.345 0.000 0.745 583 V CB -2.336 29.651 31.823 0.274 0.000 0.647 583 V HN 1.328 nan 8.190 nan 0.000 1.220 584 G N -1.264 107.621 108.800 0.141 0.000 2.179 584 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 584 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 584 G C 0.150 175.120 174.900 0.118 0.000 0.977 584 G CA 0.387 45.510 45.100 0.037 0.000 0.641 584 G HN 0.758 nan 8.290 nan 0.000 0.533 585 N N 0.713 119.482 118.700 0.116 0.000 2.424 585 N HA 0.217 4.956 4.740 -0.000 0.000 0.257 585 N C 0.200 175.779 175.510 0.115 0.000 1.250 585 N CA -0.298 52.809 53.050 0.094 0.000 0.946 585 N CB 0.306 38.841 38.487 0.080 0.000 1.175 585 N HN 0.276 nan 8.380 nan 0.000 0.477 586 N N -0.545 118.217 118.700 0.103 0.000 2.408 586 N HA 0.521 5.261 4.740 -0.000 0.000 0.260 586 N C 0.136 175.687 175.510 0.069 0.000 1.242 586 N CA -0.019 53.092 53.050 0.102 0.000 0.959 586 N CB 1.243 39.785 38.487 0.093 0.000 1.201 586 N HN 0.622 nan 8.380 nan 0.000 0.511 587 G N -0.620 108.213 108.800 0.055 0.000 2.579 587 G HA2 0.467 4.427 3.960 -0.000 0.000 0.292 587 G HA3 0.467 4.427 3.960 -0.000 0.000 0.292 587 G C -1.637 173.286 174.900 0.038 0.000 1.484 587 G CA -0.795 44.337 45.100 0.053 0.000 0.813 587 G HN 0.609 nan 8.290 nan 0.000 0.515 588 R N -0.550 119.973 120.500 0.040 0.000 2.686 588 R HA 0.878 5.218 4.340 -0.000 0.000 0.286 588 R C -0.782 175.624 176.300 0.178 0.000 0.969 588 R CA -0.965 55.148 56.100 0.022 0.000 0.898 588 R CB 2.416 32.631 30.300 -0.142 0.000 1.183 588 R HN 1.098 nan 8.270 nan 0.000 0.456 589 A N 1.668 124.583 122.820 0.159 0.000 2.359 589 A HA 0.568 4.888 4.320 -0.000 0.000 0.303 589 A C -0.967 176.731 177.584 0.191 0.000 1.066 589 A CA -0.734 51.418 52.037 0.191 0.000 0.730 589 A CB 2.037 21.071 19.000 0.056 0.000 1.211 589 A HN 0.680 nan 8.150 nan 0.000 0.439 590 T N 2.003 116.698 114.554 0.235 0.000 2.807 590 T HA 0.643 4.992 4.350 -0.000 0.000 0.279 590 T C -0.163 174.583 174.700 0.078 0.000 0.993 590 T CA -0.289 61.914 62.100 0.172 0.000 0.970 590 T CB 1.293 70.358 68.868 0.329 0.000 0.950 590 T HN 0.547 nan 8.240 nan 0.000 0.441 591 S N 2.181 117.974 115.700 0.155 0.000 2.521 591 S HA 0.572 5.041 4.470 -0.000 0.000 0.295 591 S C -0.811 174.061 174.600 0.453 0.000 1.098 591 S CA -0.788 57.533 58.200 0.203 0.000 0.999 591 S CB 0.920 64.308 63.200 0.313 0.000 1.034 591 S HN 0.620 nan 8.310 nan 0.000 0.483 592 F N 2.708 122.750 119.950 0.154 0.000 2.371 592 F HA 0.367 4.894 4.527 -0.000 0.000 0.363 592 F C -0.215 175.663 175.800 0.131 0.000 1.122 592 F CA -0.921 57.150 58.000 0.117 0.000 1.129 592 F CB 0.511 39.477 39.000 -0.056 0.000 1.173 592 F HN 0.512 nan 8.300 nan 0.000 0.489 593 F N 4.370 124.457 119.950 0.228 0.000 2.405 593 F HA 0.230 4.757 4.527 -0.000 0.000 0.355 593 F C -0.166 175.659 175.800 0.041 0.000 1.121 593 F CA -0.610 57.481 58.000 0.152 0.000 1.112 593 F CB 0.533 39.700 39.000 0.279 0.000 1.126 593 F HN 0.295 nan 8.300 nan 0.000 0.481 594 D N 8.529 128.702 120.400 -0.378 0.000 2.329 594 D HA 0.301 4.941 4.640 -0.000 0.000 0.232 594 D C -2.123 173.966 176.300 -0.351 0.000 1.088 594 D CA -2.447 51.398 54.000 -0.258 0.000 0.835 594 D CB 2.223 42.898 40.800 -0.208 0.000 1.078 594 D HN 0.257 nan 8.370 nan 0.000 0.495 595 P HA -0.056 nan 4.420 nan 0.000 0.222 595 P C 0.902 178.186 177.300 -0.028 0.000 1.147 595 P CA 0.699 63.828 63.100 0.048 0.000 0.790 595 P CB 0.400 32.175 31.700 0.124 0.000 0.780 596 E N -0.214 119.949 120.200 -0.062 0.000 2.338 596 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 596 E C 1.286 177.844 176.600 -0.070 0.000 1.007 596 E CA 0.912 57.283 56.400 -0.048 0.000 0.849 596 E CB 0.110 29.785 29.700 -0.041 0.000 0.774 596 E HN 0.385 nan 8.360 nan 0.000 0.506 597 K N -2.101 118.221 120.400 -0.129 0.000 2.613 597 K HA 0.084 4.404 4.320 -0.000 0.000 0.209 597 K C 0.060 176.554 176.600 -0.178 0.000 1.556 597 K CA -0.076 56.135 56.287 -0.125 0.000 1.017 597 K CB 0.413 32.848 32.500 -0.109 0.000 1.291 597 K HN -0.158 nan 8.250 nan 0.000 0.629 598 D N 1.739 121.934 120.400 -0.340 0.000 2.463 598 D HA 0.163 4.803 4.640 -0.000 0.000 0.224 598 D C 1.006 177.158 176.300 -0.246 0.000 1.174 598 D CA -0.157 53.584 54.000 -0.432 0.000 0.829 598 D CB 0.569 40.850 40.800 -0.866 0.000 0.993 598 D HN 0.166 nan 8.370 nan 0.000 0.497 599 R N 0.927 121.398 120.500 -0.048 0.000 2.081 599 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 599 R C 2.095 178.475 176.300 0.133 0.000 1.131 599 R CA 1.232 57.425 56.100 0.154 0.000 0.960 599 R CB -0.026 30.335 30.300 0.102 0.000 0.856 599 R HN 0.086 nan 8.270 nan 0.000 0.436 600 A N 0.583 123.436 122.820 0.056 0.000 2.024 600 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 600 A C 1.913 179.531 177.584 0.057 0.000 1.164 600 A CA 1.127 53.191 52.037 0.045 0.000 0.643 600 A CB -0.289 18.721 19.000 0.018 0.000 0.806 600 A HN 0.385 nan 8.150 nan 0.000 0.451 601 I N -1.483 119.136 120.570 0.082 0.000 3.928 601 I HA 0.203 4.373 4.170 -0.000 0.000 0.335 601 I C 2.087 178.276 176.117 0.120 0.000 1.325 601 I CA 0.577 61.923 61.300 0.076 0.000 1.107 601 I CB 0.086 38.116 38.000 0.050 0.000 1.014 601 I HN 0.288 nan 8.210 nan 0.000 0.400 602 A N 0.873 123.814 122.820 0.202 0.000 1.877 602 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 602 A C 2.458 180.030 177.584 -0.021 0.000 1.186 602 A CA 1.772 53.879 52.037 0.118 0.000 0.620 602 A CB -0.736 18.350 19.000 0.143 0.000 0.822 602 A HN 0.498 nan 8.150 nan 0.000 0.443 603 A N 0.147 122.967 122.820 0.001 0.000 1.865 603 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 603 A C 1.809 179.371 177.584 -0.038 0.000 1.191 603 A CA 1.930 53.953 52.037 -0.024 0.000 0.623 603 A CB -0.677 18.320 19.000 -0.005 0.000 0.826 603 A HN 0.481 nan 8.150 nan 0.000 0.444 604 D N -0.523 119.861 120.400 -0.027 0.000 2.144 604 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 604 D C 1.840 178.093 176.300 -0.077 0.000 0.978 604 D CA 1.175 55.154 54.000 -0.034 0.000 0.833 604 D CB -0.382 40.408 40.800 -0.016 0.000 0.961 604 D HN 0.330 nan 8.370 nan 0.000 0.470 605 L N 0.840 121.990 121.223 -0.120 0.000 2.046 605 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 605 L C 2.225 178.991 176.870 -0.174 0.000 1.077 605 L CA 1.268 55.975 54.840 -0.222 0.000 0.747 605 L CB -0.524 41.383 42.059 -0.254 0.000 0.896 605 L HN -0.152 nan 8.230 nan 0.000 0.432 606 V N -0.112 119.713 119.914 -0.148 0.000 2.261 606 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 606 V C 2.618 178.658 176.094 -0.090 0.000 1.047 606 V CA 2.185 64.403 62.300 -0.136 0.000 1.015 606 V CB -0.608 31.137 31.823 -0.131 0.000 0.642 606 V HN 0.479 nan 8.190 nan 0.000 0.446 607 K N -0.435 119.925 120.400 -0.066 0.000 2.063 607 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 607 K C 2.049 178.633 176.600 -0.027 0.000 1.048 607 K CA 1.475 57.739 56.287 -0.040 0.000 0.928 607 K CB -0.316 32.169 32.500 -0.025 0.000 0.713 607 K HN 0.295 nan 8.250 nan 0.000 0.442 608 I N 1.433 121.987 120.570 -0.027 0.000 2.286 608 I HA -0.229 3.940 4.170 -0.000 0.000 0.248 608 I C 2.253 178.378 176.117 0.012 0.000 1.115 608 I CA 1.343 62.649 61.300 0.010 0.000 1.392 608 I CB -0.926 37.100 38.000 0.044 0.000 1.065 608 I HN 0.186 nan 8.210 nan 0.000 0.418 609 L N 0.242 121.452 121.223 -0.022 0.000 1.994 609 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 609 L C 2.545 179.399 176.870 -0.027 0.000 1.071 609 L CA 1.471 56.297 54.840 -0.022 0.000 0.745 609 L CB -0.603 41.415 42.059 -0.068 0.000 0.892 609 L HN 0.242 nan 8.230 nan 0.000 0.431 610 E N 0.097 120.273 120.200 -0.040 0.000 2.058 610 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 610 E C 2.152 178.739 176.600 -0.023 0.000 0.997 610 E CA 1.151 57.530 56.400 -0.035 0.000 0.801 610 E CB -0.429 29.247 29.700 -0.039 0.000 0.746 610 E HN 0.571 nan 8.360 nan 0.000 0.450 611 G N 0.981 109.772 108.800 -0.016 0.000 2.479 611 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 611 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 611 G C 1.486 176.381 174.900 -0.007 0.000 1.115 611 G CA 1.244 46.340 45.100 -0.008 0.000 0.757 611 G HN 0.358 nan 8.290 nan 0.000 0.560 612 S N -1.261 114.435 115.700 -0.006 0.000 2.593 612 S HA 0.441 4.911 4.470 -0.000 0.000 0.236 612 S C 1.348 175.934 174.600 -0.023 0.000 0.991 612 S CA 0.639 58.833 58.200 -0.011 0.000 0.963 612 S CB 0.381 63.584 63.200 0.005 0.000 0.865 612 S HN 1.423 nan 8.310 nan 0.000 0.488 613 G N 1.739 110.524 108.800 -0.024 0.000 2.272 613 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.280 613 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.280 613 G C -0.305 174.579 174.900 -0.028 0.000 1.067 613 G CA -0.141 44.940 45.100 -0.030 0.000 0.902 613 G HN 0.499 nan 8.290 nan 0.000 0.500 614 Q N -0.255 119.530 119.800 -0.024 0.000 2.306 614 Q HA 0.693 5.033 4.340 -0.000 0.000 0.269 614 Q C 0.676 176.656 176.000 -0.033 0.000 1.053 614 Q CA 0.029 55.819 55.803 -0.021 0.000 0.879 614 Q CB 1.388 30.121 28.738 -0.008 0.000 1.344 614 Q HN 0.664 nan 8.270 nan 0.000 0.464 615 T N -2.517 112.016 114.554 -0.035 0.000 2.889 615 T HA 0.523 4.873 4.350 -0.000 0.000 0.291 615 T C 0.074 174.726 174.700 -0.080 0.000 0.995 615 T CA -0.634 61.438 62.100 -0.048 0.000 1.092 615 T CB 0.638 69.486 68.868 -0.033 0.000 0.954 615 T HN 0.222 nan 8.240 nan 0.000 0.506 616 V N 5.132 124.982 119.914 -0.106 0.000 2.370 616 V HA 0.389 4.509 4.120 -0.000 0.000 0.279 616 V C -2.011 173.956 176.094 -0.211 0.000 1.029 616 V CA -1.621 60.573 62.300 -0.175 0.000 0.870 616 V CB 0.758 32.480 31.823 -0.168 0.000 0.984 616 V HN 0.863 nan 8.190 nan 0.000 0.451 617 P HA 0.272 nan 4.420 nan 0.000 0.279 617 P C 0.601 177.639 177.300 -0.436 0.000 1.239 617 P CA -0.412 62.481 63.100 -0.344 0.000 0.789 617 P CB 0.756 32.171 31.700 -0.475 0.000 0.933 618 D N 1.450 121.734 120.400 -0.193 0.000 2.133 618 D HA -0.176 4.463 4.640 -0.000 0.000 0.195 618 D C 1.646 177.860 176.300 -0.143 0.000 0.997 618 D CA 1.488 55.411 54.000 -0.129 0.000 0.840 618 D CB -0.232 40.559 40.800 -0.015 0.000 0.947 618 D HN 0.518 nan 8.370 nan 0.000 0.452 619 F N 0.753 120.658 119.950 -0.075 0.000 2.236 619 F HA -0.115 4.412 4.527 -0.000 0.000 0.302 619 F C 2.068 177.766 175.800 -0.169 0.000 1.073 619 F CA 0.695 58.642 58.000 -0.088 0.000 1.336 619 F CB -0.942 38.021 39.000 -0.062 0.000 1.040 619 F HN -0.103 nan 8.300 nan 0.000 0.507 620 L N -0.390 120.380 121.223 -0.756 0.000 2.156 620 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 620 L C 1.909 178.614 176.870 -0.274 0.000 1.095 620 L CA 0.668 55.144 54.840 -0.607 0.000 0.770 620 L CB -0.452 41.151 42.059 -0.760 0.000 0.914 620 L HN 0.086 nan 8.230 nan 0.000 0.439 621 R N 0.000 120.365 120.500 -0.225 0.000 2.786 621 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 621 R CA 0.000 56.028 56.100 -0.121 0.000 0.921 621 R CB 0.000 30.233 30.300 -0.112 0.000 0.687 621 R HN 0.000 nan 8.270 nan 0.000 0.535