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 3ksx_1_A DATA FIRST_RESID 25 DATA SEQUENCE AAEPAQLRIG YQKAVSSLVL AKQHRLLEQR FPRTKITWVE FPAGPQLLEA DATA SEQUENCE LNVGSIDLGG AGDIPPLFAQ AAGADLLYVG WVPPTPKAET ILVPSKSALR DATA SEQUENCE TVADLKGKRI AFQKGSSAHN LLLRVLAKSG LSMRDITPLY LSPANARAAF DATA SEQUENCE AAGQVDAWAI WDPWYSALTL DGSARLLANG EGLGLTGGFF LSSRRYATAW DATA SEQUENCE GPFVQQVMGT LNQADGLLER DRAGSIKTLA QVSGLPPAVV ERTLAHRPPA DATA SEQUENCE SVQPLSAQVI KAQQATADLF YAQRLLPKRV LVAPAVWRA 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.658 177.584 0.123 0.000 1.274 25 A CA 0.000 52.087 52.037 0.083 0.000 0.836 25 A CB 0.000 19.037 19.000 0.062 0.000 0.831 26 A N -0.488 122.434 122.820 0.169 0.000 2.325 26 A HA 0.600 4.940 4.320 0.034 0.000 0.260 26 A C 0.099 177.805 177.584 0.203 0.000 1.133 26 A CA 0.553 52.701 52.037 0.186 0.000 0.801 26 A CB -0.148 18.992 19.000 0.235 0.000 1.092 26 A HN 0.673 nan 8.150 nan 0.000 0.504 27 E N -0.120 120.033 120.200 -0.079 0.000 2.359 27 E HA 0.477 4.847 4.350 0.034 0.000 0.266 27 E C -2.687 173.222 176.600 -1.152 0.000 0.920 27 E CA -2.039 54.064 56.400 -0.496 0.000 0.788 27 E CB 1.248 30.774 29.700 -0.290 0.000 1.279 27 E HN 0.522 nan 8.360 nan 0.000 0.438 28 P HA 0.017 nan 4.420 nan 0.000 0.272 28 P C -0.101 176.683 177.300 -0.860 0.000 1.240 28 P CA 0.022 62.006 63.100 -1.860 0.000 0.791 28 P CB 0.842 31.289 31.700 -2.089 0.000 0.978 29 A N 1.030 123.543 122.820 -0.511 0.000 1.969 29 A HA -0.127 4.214 4.320 0.034 0.000 0.218 29 A C 1.167 178.619 177.584 -0.220 0.000 1.169 29 A CA 1.479 53.361 52.037 -0.260 0.000 0.635 29 A CB -0.517 18.404 19.000 -0.133 0.000 0.810 29 A HN 0.701 nan 8.150 nan 0.000 0.445 30 Q N -1.675 117.984 119.800 -0.234 0.000 2.391 30 Q HA 0.561 4.921 4.340 0.034 0.000 0.279 30 Q C -2.363 173.571 176.000 -0.111 0.000 1.028 30 Q CA -0.777 54.944 55.803 -0.137 0.000 0.836 30 Q CB 1.798 30.492 28.738 -0.074 0.000 1.414 30 Q HN 0.307 nan 8.270 nan 0.000 0.397 31 L N 2.932 124.098 121.223 -0.096 0.000 2.415 31 L HA 0.537 4.897 4.340 0.034 0.000 0.268 31 L C -1.564 175.193 176.870 -0.188 0.000 0.984 31 L CA -0.032 54.741 54.840 -0.112 0.000 0.853 31 L CB 1.489 43.558 42.059 0.017 0.000 1.215 31 L HN 0.593 nan 8.230 nan 0.000 0.419 32 R N 5.862 126.234 120.500 -0.214 0.000 2.204 32 R HA 0.508 4.869 4.340 0.034 0.000 0.341 32 R C -0.737 175.461 176.300 -0.170 0.000 1.035 32 R CA -0.395 55.614 56.100 -0.152 0.000 0.887 32 R CB 1.199 31.447 30.300 -0.086 0.000 1.114 32 R HN 0.702 nan 8.270 nan 0.000 0.473 33 I N 1.602 122.049 120.570 -0.205 0.000 2.378 33 I HA 0.443 4.634 4.170 0.034 0.000 0.291 33 I C -0.007 176.172 176.117 0.104 0.000 0.992 33 I CA -0.432 60.759 61.300 -0.181 0.000 1.154 33 I CB 1.441 39.162 38.000 -0.465 0.000 1.315 33 I HN 0.576 nan 8.210 nan 0.000 0.448 34 G N 6.229 115.163 108.800 0.223 0.000 2.420 34 G HA2 0.467 4.447 3.960 0.034 0.000 0.284 34 G HA3 0.467 4.447 3.960 0.034 0.000 0.284 34 G C -1.437 173.792 174.900 0.548 0.000 1.177 34 G CA -0.253 45.140 45.100 0.490 0.000 0.841 34 G HN 0.746 nan 8.290 nan 0.000 0.527 35 Y N -1.390 119.183 120.300 0.456 0.000 2.655 35 Y HA 0.690 5.260 4.550 0.033 0.000 0.336 35 Y C -0.786 175.295 175.900 0.301 0.000 1.154 35 Y CA -1.580 56.732 58.100 0.352 0.000 1.055 35 Y CB 1.074 39.812 38.460 0.464 0.000 1.295 35 Y HN 0.475 nan 8.280 nan 0.000 0.465 36 Q N 1.927 121.765 119.800 0.063 0.000 2.333 36 Q HA 0.382 4.743 4.340 0.034 0.000 0.267 36 Q C 0.166 176.209 176.000 0.071 0.000 1.012 36 Q CA -1.020 54.781 55.803 -0.004 0.000 0.824 36 Q CB 2.663 31.453 28.738 0.086 0.000 1.290 36 Q HN 0.792 nan 8.270 nan 0.000 0.449 37 K N 1.211 121.611 120.400 -0.001 0.000 2.160 37 K HA -0.227 4.114 4.320 0.034 0.000 0.206 37 K C 1.742 178.418 176.600 0.127 0.000 1.047 37 K CA 1.420 57.777 56.287 0.115 0.000 0.930 37 K CB -0.090 32.447 32.500 0.061 0.000 0.720 37 K HN 0.705 nan 8.250 nan 0.000 0.450 38 A N 1.172 124.093 122.820 0.168 0.000 1.986 38 A HA -0.105 4.236 4.320 0.034 0.000 0.220 38 A C 1.218 178.875 177.584 0.123 0.000 1.171 38 A CA 1.055 53.201 52.037 0.183 0.000 0.640 38 A CB -0.234 19.000 19.000 0.391 0.000 0.811 38 A HN 0.071 nan 8.150 nan 0.000 0.451 39 V N 1.128 121.113 119.914 0.118 0.000 2.313 39 V HA 0.100 4.240 4.120 0.034 0.000 0.252 39 V C 1.304 177.441 176.094 0.071 0.000 1.112 39 V CA 0.345 62.697 62.300 0.086 0.000 0.984 39 V CB 0.041 31.924 31.823 0.101 0.000 1.157 39 V HN 0.460 nan 8.190 nan 0.000 0.493 40 S N 3.375 119.093 115.700 0.030 0.000 2.392 40 S HA -0.239 4.252 4.470 0.034 0.000 0.232 40 S C 2.260 176.831 174.600 -0.050 0.000 1.041 40 S CA 2.145 60.336 58.200 -0.016 0.000 1.026 40 S CB -0.119 63.066 63.200 -0.025 0.000 0.845 40 S HN 1.010 nan 8.310 nan 0.000 0.465 41 S N 1.390 117.074 115.700 -0.026 0.000 2.383 41 S HA 0.046 4.537 4.470 0.034 0.000 0.227 41 S C 1.781 176.339 174.600 -0.069 0.000 1.026 41 S CA 0.774 58.945 58.200 -0.048 0.000 0.981 41 S CB -0.534 62.659 63.200 -0.012 0.000 0.818 41 S HN 0.487 nan 8.310 nan 0.000 0.472 42 L N 0.990 122.204 121.223 -0.015 0.000 2.131 42 L HA 0.032 4.392 4.340 0.034 0.000 0.206 42 L C 2.697 179.306 176.870 -0.435 0.000 1.087 42 L CA 0.668 55.453 54.840 -0.091 0.000 0.767 42 L CB -0.783 41.381 42.059 0.174 0.000 0.917 42 L HN 0.229 nan 8.230 nan 0.000 0.441 43 V N 0.618 120.377 119.914 -0.257 0.000 2.282 43 V HA -0.321 3.820 4.120 0.034 0.000 0.249 43 V C 2.477 178.355 176.094 -0.360 0.000 1.057 43 V CA 1.832 63.950 62.300 -0.303 0.000 1.032 43 V CB -0.442 31.326 31.823 -0.090 0.000 0.645 43 V HN 0.348 nan 8.190 nan 0.000 0.447 44 L N -0.183 120.855 121.223 -0.308 0.000 2.027 44 L HA -0.143 4.217 4.340 0.034 0.000 0.206 44 L C 2.777 179.394 176.870 -0.422 0.000 1.074 44 L CA 1.511 56.103 54.840 -0.413 0.000 0.745 44 L CB -0.859 40.932 42.059 -0.446 0.000 0.898 44 L HN 0.364 nan 8.230 nan 0.000 0.433 45 A N 0.273 122.896 122.820 -0.328 0.000 1.892 45 A HA -0.306 4.034 4.320 0.034 0.000 0.218 45 A C 2.382 179.772 177.584 -0.322 0.000 1.188 45 A CA 2.304 54.214 52.037 -0.212 0.000 0.631 45 A CB -0.554 18.422 19.000 -0.040 0.000 0.822 45 A HN 0.358 nan 8.150 nan 0.000 0.447 46 K N -1.082 118.817 120.400 -0.835 0.000 2.009 46 K HA -0.227 4.113 4.320 0.034 0.000 0.210 46 K C 2.175 178.526 176.600 -0.415 0.000 1.049 46 K CA 1.780 57.423 56.287 -1.073 0.000 0.929 46 K CB -0.175 31.332 32.500 -1.656 0.000 0.714 46 K HN 0.429 nan 8.250 nan 0.000 0.440 47 Q N -0.275 119.352 119.800 -0.288 0.000 2.172 47 Q HA -0.107 4.253 4.340 0.034 0.000 0.200 47 Q C 1.695 177.745 176.000 0.083 0.000 0.964 47 Q CA 1.436 57.189 55.803 -0.083 0.000 0.855 47 Q CB -0.282 28.435 28.738 -0.035 0.000 0.918 47 Q HN 0.635 nan 8.270 nan 0.000 0.444 48 H N 0.764 119.766 119.070 -0.113 0.000 2.547 48 H HA 0.180 4.758 4.556 0.036 0.000 0.266 48 H C -0.056 175.256 175.328 -0.027 0.000 0.988 48 H CA -0.291 55.720 56.048 -0.061 0.000 1.147 48 H CB 0.308 30.037 29.762 -0.055 0.000 1.365 48 H HN 0.162 nan 8.280 nan 0.000 0.589 49 R N 0.343 120.904 120.500 0.101 0.000 3.416 49 R HA -0.200 4.161 4.340 0.034 0.000 0.263 49 R C 0.767 177.145 176.300 0.131 0.000 1.053 49 R CA 0.058 56.228 56.100 0.116 0.000 0.705 49 R CB -2.116 28.233 30.300 0.082 0.000 1.124 49 R HN 0.402 nan 8.270 nan 0.000 0.444 50 L N -0.250 121.060 121.223 0.144 0.000 2.093 50 L HA -0.176 4.184 4.340 0.034 0.000 0.208 50 L C 2.485 179.428 176.870 0.122 0.000 1.085 50 L CA 1.566 56.474 54.840 0.112 0.000 0.755 50 L CB -0.321 41.799 42.059 0.101 0.000 0.904 50 L HN 0.349 nan 8.230 nan 0.000 0.435 51 L N -0.583 120.776 121.223 0.227 0.000 2.072 51 L HA -0.153 4.208 4.340 0.034 0.000 0.205 51 L C 2.517 179.556 176.870 0.281 0.000 1.079 51 L CA 0.989 56.009 54.840 0.300 0.000 0.752 51 L CB -0.359 41.883 42.059 0.306 0.000 0.906 51 L HN 0.199 nan 8.230 nan 0.000 0.436 52 E N 0.073 120.405 120.200 0.221 0.000 2.077 52 E HA -0.228 4.142 4.350 0.034 0.000 0.193 52 E C 2.211 178.873 176.600 0.103 0.000 0.989 52 E CA 1.046 57.548 56.400 0.170 0.000 0.800 52 E CB -0.147 29.640 29.700 0.145 0.000 0.746 52 E HN 0.437 nan 8.360 nan 0.000 0.452 53 Q N -0.055 119.782 119.800 0.062 0.000 2.135 53 Q HA -0.179 4.182 4.340 0.034 0.000 0.204 53 Q C 2.280 178.236 176.000 -0.074 0.000 0.981 53 Q CA 1.442 57.245 55.803 0.001 0.000 0.856 53 Q CB -0.156 28.578 28.738 -0.008 0.000 0.902 53 Q HN 0.065 nan 8.270 nan 0.000 0.425 54 R N -0.233 120.165 120.500 -0.169 0.000 2.115 54 R HA -0.043 4.317 4.340 0.034 0.000 0.226 54 R C -0.175 175.756 176.300 -0.616 0.000 1.100 54 R CA 0.882 56.674 56.100 -0.512 0.000 0.980 54 R CB 0.363 30.160 30.300 -0.839 0.000 0.875 54 R HN 0.030 nan 8.270 nan 0.000 0.445 55 F N 0.627 120.619 119.950 0.071 0.000 2.622 55 F HA 0.386 4.933 4.527 0.033 0.000 0.338 55 F C -1.774 174.065 175.800 0.065 0.000 1.334 55 F CA -2.574 55.488 58.000 0.104 0.000 1.179 55 F CB 1.954 41.079 39.000 0.209 0.000 1.471 55 F HN -0.042 nan 8.300 nan 0.000 0.576 56 P HA -0.137 nan 4.420 nan 0.000 0.220 56 P C 0.999 178.346 177.300 0.078 0.000 1.148 56 P CA 1.224 64.380 63.100 0.093 0.000 0.803 56 P CB 0.267 31.998 31.700 0.051 0.000 0.782 57 R N -0.814 119.736 120.500 0.083 0.000 2.334 57 R HA 0.180 4.541 4.340 0.034 0.000 0.220 57 R C 0.162 176.449 176.300 -0.021 0.000 0.917 57 R CA 0.339 56.455 56.100 0.027 0.000 1.073 57 R CB 0.024 30.333 30.300 0.015 0.000 1.056 57 R HN 0.104 nan 8.270 nan 0.000 0.506 58 T N 0.735 115.301 114.554 0.018 0.000 2.812 58 T HA 0.171 4.542 4.350 0.034 0.000 0.282 58 T C -0.662 174.038 174.700 -0.001 0.000 0.990 58 T CA -0.685 61.382 62.100 -0.055 0.000 0.960 58 T CB 2.163 70.981 68.868 -0.084 0.000 0.948 58 T HN -0.029 nan 8.240 nan 0.000 0.438 59 K N 4.426 124.803 120.400 -0.038 0.000 2.349 59 K HA 0.251 4.591 4.320 0.034 0.000 0.289 59 K C -0.489 176.099 176.600 -0.019 0.000 1.064 59 K CA -0.418 55.862 56.287 -0.011 0.000 0.947 59 K CB 0.255 32.742 32.500 -0.022 0.000 1.007 59 K HN 0.424 nan 8.250 nan 0.000 0.478 60 I N 4.231 124.806 120.570 0.008 0.000 2.336 60 I HA 0.169 4.359 4.170 0.034 0.000 0.292 60 I C -0.172 175.918 176.117 -0.044 0.000 0.991 60 I CA -0.436 60.834 61.300 -0.051 0.000 1.227 60 I CB 1.389 39.385 38.000 -0.007 0.000 1.366 60 I HN 0.552 nan 8.210 nan 0.000 0.466 61 T N 5.623 120.107 114.554 -0.117 0.000 2.864 61 T HA 0.326 4.697 4.350 0.034 0.000 0.299 61 T C -0.717 173.943 174.700 -0.066 0.000 1.011 61 T CA -0.407 61.678 62.100 -0.025 0.000 0.975 61 T CB 0.480 69.346 68.868 -0.004 0.000 0.962 61 T HN 0.300 nan 8.240 nan 0.000 0.448 62 W N 2.509 123.848 121.300 0.065 0.000 2.315 62 W HA 0.572 5.250 4.660 0.030 0.000 0.316 62 W C -0.390 176.261 176.519 0.220 0.000 1.211 62 W CA -0.549 56.867 57.345 0.120 0.000 1.201 62 W CB 0.927 30.361 29.460 -0.043 0.000 1.184 62 W HN 0.278 nan 8.180 nan 0.000 0.544 63 V N 3.243 123.482 119.914 0.542 0.000 2.482 63 V HA 0.160 4.300 4.120 0.034 0.000 0.295 63 V C -0.135 176.000 176.094 0.067 0.000 1.026 63 V CA -1.357 61.084 62.300 0.234 0.000 0.856 63 V CB 1.303 33.194 31.823 0.115 0.000 1.001 63 V HN 0.515 nan 8.190 nan 0.000 0.424 64 E N 3.856 123.905 120.200 -0.251 0.000 2.331 64 E HA 0.490 4.860 4.350 0.034 0.000 0.272 64 E C -1.659 174.459 176.600 -0.803 0.000 1.036 64 E CA -0.261 55.745 56.400 -0.656 0.000 0.864 64 E CB 0.882 30.289 29.700 -0.489 0.000 1.035 64 E HN 0.482 nan 8.360 nan 0.000 0.408 65 F N 3.758 123.585 119.950 -0.204 0.000 2.546 65 F HA 0.316 4.863 4.527 0.034 0.000 0.320 65 F C -1.401 174.382 175.800 -0.028 0.000 1.076 65 F CA -2.035 55.921 58.000 -0.074 0.000 0.928 65 F CB 1.654 40.624 39.000 -0.049 0.000 1.189 65 F HN 0.409 nan 8.300 nan 0.000 0.465 66 P HA 0.025 nan 4.420 nan 0.000 0.218 66 P C -0.159 177.314 177.300 0.287 0.000 1.149 66 P CA 1.278 64.500 63.100 0.204 0.000 0.817 66 P CB 0.452 32.248 31.700 0.161 0.000 0.785 67 A N -2.002 120.977 122.820 0.264 0.000 2.467 67 A HA 0.563 4.904 4.320 0.034 0.000 0.301 67 A C 1.282 178.924 177.584 0.098 0.000 1.126 67 A CA -0.029 52.163 52.037 0.258 0.000 0.632 67 A CB -0.157 19.066 19.000 0.373 0.000 1.331 67 A HN -0.003 nan 8.150 nan 0.000 0.482 68 G N -0.417 108.376 108.800 -0.012 0.000 2.402 68 G HA2 0.106 4.087 3.960 0.034 0.000 0.216 68 G HA3 0.106 4.087 3.960 0.034 0.000 0.216 68 G C -0.822 174.009 174.900 -0.114 0.000 1.162 68 G CA 1.560 46.594 45.100 -0.110 0.000 0.777 68 G HN 0.525 nan 8.290 nan 0.000 0.539 69 P HA -0.058 nan 4.420 nan 0.000 0.218 69 P C 1.719 178.976 177.300 -0.071 0.000 1.149 69 P CA 1.086 64.143 63.100 -0.072 0.000 0.817 69 P CB 0.078 31.743 31.700 -0.059 0.000 0.785 70 Q N -0.734 119.048 119.800 -0.030 0.000 2.050 70 Q HA -0.124 4.236 4.340 0.034 0.000 0.202 70 Q C 2.163 178.034 176.000 -0.215 0.000 0.980 70 Q CA 1.214 57.026 55.803 0.016 0.000 0.840 70 Q CB -1.218 27.635 28.738 0.192 0.000 0.898 70 Q HN 0.205 nan 8.270 nan 0.000 0.424 71 L N -0.148 120.774 121.223 -0.501 0.000 2.046 71 L HA -0.169 4.191 4.340 0.034 0.000 0.208 71 L C 1.721 178.192 176.870 -0.666 0.000 1.077 71 L CA 0.968 55.108 54.840 -1.167 0.000 0.747 71 L CB -0.080 41.537 42.059 -0.736 0.000 0.896 71 L HN 0.294 nan 8.230 nan 0.000 0.432 72 L N -0.482 120.526 121.223 -0.359 0.000 2.141 72 L HA -0.136 4.225 4.340 0.034 0.000 0.209 72 L C 2.623 179.387 176.870 -0.176 0.000 1.094 72 L CA 1.328 56.025 54.840 -0.239 0.000 0.763 72 L CB -1.176 40.787 42.059 -0.161 0.000 0.908 72 L HN 0.389 nan 8.230 nan 0.000 0.437 73 E N 0.077 120.190 120.200 -0.145 0.000 2.106 73 E HA -0.133 4.237 4.350 0.034 0.000 0.192 73 E C 2.244 178.798 176.600 -0.077 0.000 0.984 73 E CA 1.231 57.585 56.400 -0.076 0.000 0.806 73 E CB 0.058 29.740 29.700 -0.031 0.000 0.750 73 E HN 0.391 nan 8.360 nan 0.000 0.458 74 A N 1.346 124.091 122.820 -0.125 0.000 1.902 74 A HA -0.161 4.180 4.320 0.034 0.000 0.217 74 A C 2.263 179.789 177.584 -0.097 0.000 1.181 74 A CA 1.238 53.235 52.037 -0.067 0.000 0.623 74 A CB -0.626 18.365 19.000 -0.016 0.000 0.818 74 A HN 0.248 nan 8.150 nan 0.000 0.443 75 L N 0.406 121.522 121.223 -0.178 0.000 2.131 75 L HA -0.164 4.197 4.340 0.034 0.000 0.210 75 L C 1.942 178.756 176.870 -0.093 0.000 1.092 75 L CA 2.503 57.259 54.840 -0.141 0.000 0.759 75 L CB -0.646 41.307 42.059 -0.177 0.000 0.903 75 L HN 0.499 nan 8.230 nan 0.000 0.435 76 N N -0.632 118.018 118.700 -0.084 0.000 2.216 76 N HA -0.134 4.627 4.740 0.034 0.000 0.183 76 N C 1.521 177.011 175.510 -0.034 0.000 1.017 76 N CA 1.454 54.471 53.050 -0.056 0.000 0.861 76 N CB -0.095 38.364 38.487 -0.048 0.000 0.986 76 N HN 0.363 nan 8.380 nan 0.000 0.428 77 V N -3.258 116.641 119.914 -0.025 0.000 3.646 77 V HA 0.453 4.593 4.120 0.034 0.000 0.277 77 V C 1.240 177.331 176.094 -0.005 0.000 1.274 77 V CA 0.461 62.757 62.300 -0.007 0.000 1.164 77 V CB -0.648 31.178 31.823 0.006 0.000 0.926 77 V HN 0.296 nan 8.190 nan 0.000 0.442 78 G N 0.301 109.090 108.800 -0.018 0.000 2.162 78 G HA2 -0.316 3.664 3.960 0.034 0.000 0.260 78 G HA3 -0.316 3.664 3.960 0.034 0.000 0.260 78 G C 0.834 175.730 174.900 -0.006 0.000 0.976 78 G CA 0.678 45.769 45.100 -0.015 0.000 0.655 78 G HN 0.621 nan 8.290 nan 0.000 0.533 79 S N -0.368 115.341 115.700 0.014 0.000 2.428 79 S HA 0.294 4.785 4.470 0.034 0.000 0.230 79 S C 1.219 175.851 174.600 0.053 0.000 1.014 79 S CA 1.204 59.436 58.200 0.053 0.000 0.957 79 S CB -0.187 63.083 63.200 0.117 0.000 0.784 79 S HN 1.163 nan 8.310 nan 0.000 0.499 80 I N -1.647 118.928 120.570 0.008 0.000 3.191 80 I HA 0.566 4.756 4.170 0.034 0.000 0.313 80 I C -0.783 175.256 176.117 -0.131 0.000 1.193 80 I CA -0.989 60.288 61.300 -0.038 0.000 0.968 80 I CB 2.014 40.029 38.000 0.025 0.000 1.262 80 I HN -0.107 nan 8.210 nan 0.000 0.456 81 D N 1.207 121.467 120.400 -0.234 0.000 2.514 81 D HA 0.308 4.968 4.640 0.034 0.000 0.225 81 D C -0.313 175.807 176.300 -0.299 0.000 1.159 81 D CA 0.138 53.942 54.000 -0.326 0.000 0.823 81 D CB 0.945 41.359 40.800 -0.642 0.000 1.097 81 D HN 0.429 nan 8.370 nan 0.000 0.519 82 L N 0.109 121.201 121.223 -0.219 0.000 2.505 82 L HA 0.787 5.147 4.340 0.034 0.000 0.259 82 L C -0.907 175.946 176.870 -0.028 0.000 0.952 82 L CA 0.049 54.829 54.840 -0.101 0.000 0.840 82 L CB 2.144 44.150 42.059 -0.089 0.000 1.358 82 L HN 0.181 nan 8.230 nan 0.000 0.409 83 G N 1.426 110.229 108.800 0.005 0.000 2.632 83 G HA2 0.571 4.552 3.960 0.034 0.000 0.292 83 G HA3 0.571 4.552 3.960 0.034 0.000 0.292 83 G C -1.425 173.265 174.900 -0.351 0.000 1.465 83 G CA -0.165 44.901 45.100 -0.057 0.000 0.824 83 G HN 0.868 nan 8.290 nan 0.000 0.509 84 G N -0.945 107.524 108.800 -0.553 0.000 2.356 84 G HA2 0.898 4.879 3.960 0.034 0.000 0.322 84 G HA3 0.898 4.879 3.960 0.034 0.000 0.322 84 G C -0.141 174.488 174.900 -0.452 0.000 1.125 84 G CA 0.471 44.990 45.100 -0.969 0.000 0.885 84 G HN 1.670 nan 8.290 nan 0.000 0.467 85 A N 0.978 123.573 122.820 -0.375 0.000 2.588 85 A HA 0.931 5.272 4.320 0.034 0.000 0.290 85 A C 0.470 177.940 177.584 -0.189 0.000 1.136 85 A CA -0.073 51.819 52.037 -0.241 0.000 0.681 85 A CB 0.685 19.570 19.000 -0.191 0.000 1.282 85 A HN 1.619 nan 8.150 nan 0.000 0.421 86 G N -0.499 108.182 108.800 -0.198 0.000 2.647 86 G HA2 0.332 4.313 3.960 0.034 0.000 0.271 86 G HA3 0.332 4.313 3.960 0.034 0.000 0.271 86 G C 0.429 175.350 174.900 0.036 0.000 1.300 86 G CA 0.643 45.651 45.100 -0.153 0.000 0.997 86 G HN 0.882 nan 8.290 nan 0.000 0.533 87 D N -1.159 119.289 120.400 0.080 0.000 2.234 87 D HA -0.119 4.541 4.640 0.034 0.000 0.205 87 D C 2.123 178.544 176.300 0.200 0.000 0.962 87 D CA 0.494 54.687 54.000 0.321 0.000 0.855 87 D CB -0.041 40.919 40.800 0.266 0.000 0.951 87 D HN 0.212 nan 8.370 nan 0.000 0.500 88 I N 1.128 121.718 120.570 0.034 0.000 2.406 88 I HA -0.014 4.176 4.170 0.034 0.000 0.249 88 I C -0.578 175.540 176.117 0.001 0.000 1.122 88 I CA 0.019 61.282 61.300 -0.061 0.000 1.431 88 I CB -2.256 35.642 38.000 -0.169 0.000 1.087 88 I HN -0.017 nan 8.210 nan 0.000 0.424 89 P HA -0.112 nan 4.420 nan 0.000 0.215 89 P C -1.215 176.091 177.300 0.010 0.000 1.157 89 P CA 2.089 65.164 63.100 -0.041 0.000 0.874 89 P CB -1.265 30.381 31.700 -0.090 0.000 0.790 90 P HA -0.095 nan 4.420 nan 0.000 0.220 90 P C 1.600 178.901 177.300 0.003 0.000 1.148 90 P CA 1.225 64.269 63.100 -0.093 0.000 0.803 90 P CB -0.464 31.052 31.700 -0.306 0.000 0.782 91 L N -2.198 119.071 121.223 0.077 0.000 2.056 91 L HA -0.135 4.225 4.340 0.034 0.000 0.207 91 L C 2.606 179.505 176.870 0.048 0.000 1.078 91 L CA 1.424 56.294 54.840 0.051 0.000 0.749 91 L CB -0.943 41.108 42.059 -0.013 0.000 0.901 91 L HN -0.137 nan 8.230 nan 0.000 0.433 92 F N 0.057 119.960 119.950 -0.079 0.000 2.146 92 F HA -0.163 4.386 4.527 0.036 0.000 0.298 92 F C 2.582 178.359 175.800 -0.039 0.000 1.096 92 F CA 1.137 59.113 58.000 -0.040 0.000 1.275 92 F CB -0.822 38.166 39.000 -0.021 0.000 1.008 92 F HN -0.003 nan 8.300 nan 0.000 0.480 93 A N -0.366 122.525 122.820 0.118 0.000 1.877 93 A HA -0.249 4.091 4.320 0.034 0.000 0.216 93 A C 2.164 179.741 177.584 -0.012 0.000 1.186 93 A CA 1.768 53.818 52.037 0.022 0.000 0.620 93 A CB -0.886 18.091 19.000 -0.038 0.000 0.822 93 A HN 0.440 nan 8.150 nan 0.000 0.443 94 Q N -0.768 119.019 119.800 -0.023 0.000 2.077 94 Q HA -0.198 4.163 4.340 0.034 0.000 0.206 94 Q C 2.441 178.419 176.000 -0.037 0.000 0.989 94 Q CA 1.573 57.360 55.803 -0.027 0.000 0.853 94 Q CB -0.446 28.287 28.738 -0.007 0.000 0.907 94 Q HN 0.694 nan 8.270 nan 0.000 0.418 95 A N 0.924 123.710 122.820 -0.056 0.000 1.986 95 A HA -0.139 4.201 4.320 0.034 0.000 0.220 95 A C 2.109 179.662 177.584 -0.052 0.000 1.171 95 A CA 1.668 53.657 52.037 -0.081 0.000 0.640 95 A CB -0.552 18.355 19.000 -0.155 0.000 0.811 95 A HN 0.405 nan 8.150 nan 0.000 0.451 96 A N -2.111 120.692 122.820 -0.029 0.000 2.251 96 A HA 0.430 4.770 4.320 0.034 0.000 0.209 96 A C 1.670 179.246 177.584 -0.013 0.000 1.187 96 A CA 1.127 53.157 52.037 -0.011 0.000 0.823 96 A CB -0.815 18.193 19.000 0.012 0.000 0.846 96 A HN 1.899 nan 8.150 nan 0.000 0.486 97 G N -1.962 106.825 108.800 -0.021 0.000 2.141 97 G HA2 0.125 4.105 3.960 0.034 0.000 0.231 97 G HA3 0.125 4.105 3.960 0.034 0.000 0.231 97 G C 0.397 175.284 174.900 -0.022 0.000 0.984 97 G CA 0.158 45.246 45.100 -0.021 0.000 0.660 97 G HN 1.535 nan 8.290 nan 0.000 0.525 98 A N -0.084 122.720 122.820 -0.027 0.000 2.445 98 A HA 0.531 4.871 4.320 0.034 0.000 0.242 98 A C 0.495 178.056 177.584 -0.039 0.000 1.075 98 A CA 0.755 52.770 52.037 -0.037 0.000 0.777 98 A CB 0.458 19.427 19.000 -0.053 0.000 1.013 98 A HN 0.353 nan 8.150 nan 0.000 0.493 99 D N 1.670 122.047 120.400 -0.038 0.000 3.133 99 D HA 0.390 5.050 4.640 0.034 0.000 0.288 99 D C -0.187 176.087 176.300 -0.044 0.000 1.346 99 D CA -0.324 53.658 54.000 -0.030 0.000 0.934 99 D CB -0.498 40.291 40.800 -0.019 0.000 1.042 99 D HN 0.438 nan 8.370 nan 0.000 0.506 100 L N -1.606 119.574 121.223 -0.072 0.000 2.431 100 L HA 0.634 4.994 4.340 0.034 0.000 0.260 100 L C -0.471 176.346 176.870 -0.088 0.000 1.098 100 L CA -0.719 54.054 54.840 -0.112 0.000 0.800 100 L CB 0.751 42.694 42.059 -0.192 0.000 1.210 100 L HN -0.117 nan 8.230 nan 0.000 0.465 101 L N 0.418 121.581 121.223 -0.100 0.000 2.342 101 L HA 0.482 4.843 4.340 0.034 0.000 0.271 101 L C -1.084 175.753 176.870 -0.055 0.000 1.008 101 L CA -0.658 54.177 54.840 -0.009 0.000 0.818 101 L CB 1.792 43.838 42.059 -0.022 0.000 1.296 101 L HN 0.513 nan 8.230 nan 0.000 0.427 102 Y N 1.286 121.600 120.300 0.023 0.000 2.350 102 Y HA 0.233 4.797 4.550 0.024 0.000 0.340 102 Y C 0.826 176.856 175.900 0.217 0.000 1.006 102 Y CA -0.404 57.728 58.100 0.054 0.000 1.166 102 Y CB 1.240 39.643 38.460 -0.095 0.000 1.168 102 Y HN 0.320 nan 8.280 nan 0.000 0.502 103 V N -0.139 120.016 119.914 0.402 0.000 3.502 103 V HA 0.730 4.871 4.120 0.034 0.000 0.288 103 V C 0.457 176.859 176.094 0.512 0.000 1.461 103 V CA 0.498 63.092 62.300 0.489 0.000 1.029 103 V CB 0.337 32.220 31.823 0.100 0.000 0.843 103 V HN 0.765 nan 8.190 nan 0.000 0.438 104 G N -0.742 108.375 108.800 0.530 0.000 2.673 104 G HA2 0.473 4.453 3.960 0.034 0.000 0.292 104 G HA3 0.473 4.453 3.960 0.034 0.000 0.292 104 G C -2.618 172.681 174.900 0.664 0.000 1.450 104 G CA -0.490 44.917 45.100 0.512 0.000 0.837 104 G HN 0.473 nan 8.290 nan 0.000 0.505 105 W N 1.674 123.175 121.300 0.334 0.000 2.785 105 W HA 0.698 5.364 4.660 0.011 0.000 0.333 105 W C -1.536 175.033 176.519 0.083 0.000 1.062 105 W CA -1.078 56.390 57.345 0.206 0.000 1.233 105 W CB 2.177 31.759 29.460 0.203 0.000 1.413 105 W HN 0.414 nan 8.180 nan 0.000 0.489 106 V N 8.030 127.463 119.914 -0.801 0.000 2.378 106 V HA 0.362 4.503 4.120 0.034 0.000 0.288 106 V C -1.973 173.412 176.094 -1.181 0.000 1.016 106 V CA -2.085 59.779 62.300 -0.726 0.000 0.840 106 V CB 1.364 33.001 31.823 -0.310 0.000 0.994 106 V HN 0.440 nan 8.190 nan 0.000 0.431 107 P HA 0.184 nan 4.420 nan 0.000 0.270 107 P C -2.495 174.607 177.300 -0.330 0.000 1.223 107 P CA -0.828 61.748 63.100 -0.873 0.000 0.785 107 P CB 0.037 31.361 31.700 -0.627 0.000 0.923 108 P HA 0.127 nan 4.420 nan 0.000 0.276 108 P C -0.694 176.580 177.300 -0.044 0.000 1.252 108 P CA -0.088 62.978 63.100 -0.056 0.000 0.802 108 P CB 0.419 32.138 31.700 0.032 0.000 1.035 109 T N -3.267 111.270 114.554 -0.030 0.000 3.401 109 T HA 0.311 4.681 4.350 0.034 0.000 0.341 109 T C -1.863 172.846 174.700 0.015 0.000 1.674 109 T CA -1.733 60.368 62.100 0.002 0.000 1.600 109 T CB 0.501 69.375 68.868 0.010 0.000 0.974 109 T HN 0.206 nan 8.240 nan 0.000 0.672 110 P HA 0.000 nan 4.420 nan 0.000 0.221 110 P C 1.171 178.455 177.300 -0.028 0.000 1.150 110 P CA 0.728 63.827 63.100 -0.002 0.000 0.800 110 P CB 0.319 32.023 31.700 0.007 0.000 0.787 111 K N 0.059 120.453 120.400 -0.011 0.000 2.283 111 K HA 0.035 4.375 4.320 0.034 0.000 0.202 111 K C 2.007 178.531 176.600 -0.127 0.000 1.048 111 K CA 1.119 57.370 56.287 -0.060 0.000 0.948 111 K CB -0.295 32.219 32.500 0.025 0.000 0.742 111 K HN 0.048 nan 8.250 nan 0.000 0.458 112 A N 1.017 123.837 122.820 0.001 0.000 2.251 112 A HA 0.010 4.351 4.320 0.034 0.000 0.209 112 A C -0.068 177.541 177.584 0.042 0.000 1.187 112 A CA 0.251 52.346 52.037 0.096 0.000 0.823 112 A CB 0.206 19.320 19.000 0.189 0.000 0.846 112 A HN 0.047 nan 8.150 nan 0.000 0.486 113 E N 1.274 121.444 120.200 -0.050 0.000 2.133 113 E HA 0.418 4.789 4.350 0.034 0.000 0.274 113 E C -0.703 175.790 176.600 -0.178 0.000 0.930 113 E CA -0.074 56.310 56.400 -0.027 0.000 0.770 113 E CB 1.485 31.194 29.700 0.015 0.000 1.104 113 E HN 0.379 nan 8.360 nan 0.000 0.403 114 T N -0.214 114.201 114.554 -0.232 0.000 2.900 114 T HA 0.627 4.998 4.350 0.034 0.000 0.303 114 T C -0.134 174.420 174.700 -0.244 0.000 1.142 114 T CA -0.793 61.094 62.100 -0.357 0.000 1.007 114 T CB 0.878 69.317 68.868 -0.715 0.000 1.156 114 T HN 0.272 nan 8.240 nan 0.000 0.490 115 I N 2.674 123.137 120.570 -0.179 0.000 2.321 115 I HA 0.401 4.592 4.170 0.034 0.000 0.291 115 I C -0.328 175.747 176.117 -0.070 0.000 0.998 115 I CA -0.947 60.294 61.300 -0.098 0.000 1.227 115 I CB 1.183 39.155 38.000 -0.046 0.000 1.368 115 I HN 0.433 nan 8.210 nan 0.000 0.466 116 L N 7.024 128.237 121.223 -0.017 0.000 2.331 116 L HA 0.704 5.065 4.340 0.034 0.000 0.275 116 L C -0.222 176.802 176.870 0.256 0.000 1.022 116 L CA -1.024 53.861 54.840 0.076 0.000 0.812 116 L CB 1.923 43.967 42.059 -0.026 0.000 1.257 116 L HN 0.397 nan 8.230 nan 0.000 0.435 117 V N 0.079 120.166 119.914 0.288 0.000 2.914 117 V HA 0.638 4.779 4.120 0.034 0.000 0.314 117 V C -2.699 173.639 176.094 0.406 0.000 1.084 117 V CA -2.819 59.677 62.300 0.326 0.000 0.963 117 V CB 1.687 33.603 31.823 0.157 0.000 1.025 117 V HN 0.493 nan 8.190 nan 0.000 0.432 118 P HA 0.122 nan 4.420 nan 0.000 0.266 118 P C 1.051 178.417 177.300 0.111 0.000 1.195 118 P CA 0.628 63.762 63.100 0.056 0.000 0.768 118 P CB 0.785 32.317 31.700 -0.280 0.000 0.838 119 S N 3.473 119.256 115.700 0.139 0.000 2.419 119 S HA -0.230 4.260 4.470 0.034 0.000 0.233 119 S C 1.392 176.025 174.600 0.054 0.000 1.016 119 S CA 1.379 59.641 58.200 0.103 0.000 0.974 119 S CB -0.832 62.434 63.200 0.109 0.000 0.786 119 S HN 0.541 nan 8.310 nan 0.000 0.492 120 K N 2.021 122.436 120.400 0.026 0.000 2.432 120 K HA 0.188 4.529 4.320 0.034 0.000 0.196 120 K C 0.950 177.550 176.600 0.000 0.000 1.038 120 K CA 0.585 56.876 56.287 0.007 0.000 0.986 120 K CB -0.313 32.180 32.500 -0.011 0.000 0.782 120 K HN 0.249 nan 8.250 nan 0.000 0.485 121 S N -0.086 115.615 115.700 0.002 0.000 2.573 121 S HA 0.252 4.742 4.470 0.034 0.000 0.277 121 S C 1.052 175.658 174.600 0.009 0.000 1.346 121 S CA -0.154 58.046 58.200 -0.001 0.000 1.034 121 S CB 0.937 64.142 63.200 0.008 0.000 0.879 121 S HN 0.418 nan 8.310 nan 0.000 0.528 122 A N 4.377 127.199 122.820 0.004 0.000 2.235 122 A HA 0.300 4.641 4.320 0.034 0.000 0.208 122 A C 0.684 178.275 177.584 0.013 0.000 1.172 122 A CA 0.030 52.071 52.037 0.007 0.000 0.786 122 A CB -0.549 18.452 19.000 0.002 0.000 0.804 122 A HN 0.779 nan 8.150 nan 0.000 0.479 123 L N -0.344 120.889 121.223 0.018 0.000 2.319 123 L HA 0.348 4.709 4.340 0.034 0.000 0.280 123 L C 1.256 178.143 176.870 0.028 0.000 1.099 123 L CA -0.200 54.654 54.840 0.023 0.000 0.828 123 L CB 0.695 42.771 42.059 0.029 0.000 1.150 123 L HN 0.269 nan 8.230 nan 0.000 0.442 124 R N 0.494 121.008 120.500 0.023 0.000 2.556 124 R HA 0.137 4.498 4.340 0.034 0.000 0.276 124 R C 0.030 176.341 176.300 0.019 0.000 0.931 124 R CA 0.178 56.293 56.100 0.024 0.000 1.061 124 R CB 1.293 31.605 30.300 0.020 0.000 1.432 124 R HN 0.812 nan 8.270 nan 0.000 0.547 125 T N -3.608 110.956 114.554 0.016 0.000 2.901 125 T HA 0.255 4.625 4.350 0.034 0.000 0.293 125 T C 1.164 175.871 174.700 0.011 0.000 1.084 125 T CA -0.773 61.334 62.100 0.012 0.000 1.008 125 T CB 2.124 70.998 68.868 0.009 0.000 1.170 125 T HN -0.242 nan 8.240 nan 0.000 0.509 126 V N 1.380 121.297 119.914 0.006 0.000 2.392 126 V HA -0.101 4.039 4.120 0.034 0.000 0.249 126 V C 3.130 179.227 176.094 0.005 0.000 1.059 126 V CA 2.435 64.737 62.300 0.004 0.000 1.051 126 V CB -1.518 30.304 31.823 -0.002 0.000 0.658 126 V HN 1.072 nan 8.190 nan 0.000 0.455 127 A N -0.289 122.534 122.820 0.004 0.000 2.019 127 A HA -0.244 4.096 4.320 0.034 0.000 0.219 127 A C 1.904 179.491 177.584 0.006 0.000 1.164 127 A CA 1.844 53.883 52.037 0.004 0.000 0.644 127 A CB -0.542 18.460 19.000 0.003 0.000 0.805 127 A HN 0.533 nan 8.150 nan 0.000 0.449 128 D N -0.034 120.371 120.400 0.008 0.000 2.350 128 D HA -0.056 4.604 4.640 0.034 0.000 0.216 128 D C 1.602 177.909 176.300 0.011 0.000 0.968 128 D CA 0.611 54.617 54.000 0.009 0.000 0.894 128 D CB -0.200 40.607 40.800 0.012 0.000 0.909 128 D HN 0.513 nan 8.370 nan 0.000 0.520 129 L N 0.274 121.505 121.223 0.013 0.000 2.465 129 L HA -0.034 4.326 4.340 0.034 0.000 0.224 129 L C 1.350 178.228 176.870 0.013 0.000 1.145 129 L CA 0.227 55.077 54.840 0.017 0.000 0.834 129 L CB -0.373 41.697 42.059 0.019 0.000 0.944 129 L HN -0.127 nan 8.230 nan 0.000 0.451 130 K N 1.211 121.616 120.400 0.008 0.000 2.511 130 K HA 0.043 4.383 4.320 0.034 0.000 0.280 130 K C 1.108 177.711 176.600 0.006 0.000 1.008 130 K CA 0.893 57.184 56.287 0.006 0.000 1.050 130 K CB 0.195 32.697 32.500 0.004 0.000 0.889 130 K HN 0.238 nan 8.250 nan 0.000 0.484 131 G N 2.900 111.703 108.800 0.006 0.000 2.162 131 G HA2 -0.218 3.762 3.960 0.034 0.000 0.260 131 G HA3 -0.218 3.762 3.960 0.034 0.000 0.260 131 G C -0.304 174.596 174.900 0.000 0.000 0.976 131 G CA 0.259 45.360 45.100 0.002 0.000 0.655 131 G HN 0.551 nan 8.290 nan 0.000 0.533 132 K N -0.077 120.327 120.400 0.006 0.000 2.123 132 K HA 0.538 4.878 4.320 0.034 0.000 0.248 132 K C 0.460 177.064 176.600 0.007 0.000 0.969 132 K CA -0.894 55.396 56.287 0.005 0.000 0.882 132 K CB 1.067 33.575 32.500 0.013 0.000 1.080 132 K HN 0.240 nan 8.250 nan 0.000 0.441 133 R N 1.611 122.109 120.500 -0.003 0.000 2.196 133 R HA 0.391 4.751 4.340 0.034 0.000 0.340 133 R C -0.164 176.147 176.300 0.019 0.000 1.043 133 R CA -0.204 55.887 56.100 -0.015 0.000 0.883 133 R CB 0.217 30.492 30.300 -0.043 0.000 1.078 133 R HN 0.446 nan 8.270 nan 0.000 0.462 134 I N 2.568 123.170 120.570 0.053 0.000 2.382 134 I HA 0.316 4.506 4.170 0.034 0.000 0.286 134 I C 0.213 176.440 176.117 0.183 0.000 1.002 134 I CA -0.838 60.553 61.300 0.151 0.000 1.135 134 I CB 1.892 40.005 38.000 0.190 0.000 1.288 134 I HN 0.566 nan 8.210 nan 0.000 0.448 135 A N 7.557 130.477 122.820 0.167 0.000 2.363 135 A HA 0.816 5.156 4.320 0.034 0.000 0.270 135 A C -0.616 177.211 177.584 0.405 0.000 1.121 135 A CA 0.090 52.168 52.037 0.069 0.000 0.800 135 A CB 0.109 19.027 19.000 -0.137 0.000 1.052 135 A HN 0.710 nan 8.150 nan 0.000 0.493 136 F N -1.002 119.008 119.950 0.100 0.000 2.770 136 F HA 0.547 5.104 4.527 0.050 0.000 0.313 136 F C -0.840 175.045 175.800 0.143 0.000 1.154 136 F CA -1.241 56.853 58.000 0.157 0.000 0.923 136 F CB 1.267 40.337 39.000 0.116 0.000 1.301 136 F HN 0.478 nan 8.300 nan 0.000 0.449 137 Q N 2.829 122.818 119.800 0.315 0.000 2.293 137 Q HA 0.230 4.590 4.340 0.034 0.000 0.263 137 Q C -0.362 175.788 176.000 0.250 0.000 1.002 137 Q CA -0.182 55.751 55.803 0.217 0.000 0.910 137 Q CB 1.076 30.009 28.738 0.326 0.000 1.185 137 Q HN 0.633 nan 8.270 nan 0.000 0.401 138 K N 3.146 123.558 120.400 0.020 0.000 2.484 138 K HA 0.164 4.504 4.320 0.034 0.000 0.280 138 K C 0.450 176.973 176.600 -0.128 0.000 1.013 138 K CA 1.142 57.385 56.287 -0.074 0.000 1.029 138 K CB -0.142 32.057 32.500 -0.502 0.000 0.902 138 K HN 0.967 nan 8.250 nan 0.000 0.481 139 G N 2.305 111.014 108.800 -0.151 0.000 2.148 139 G HA2 -0.299 3.682 3.960 0.034 0.000 0.254 139 G HA3 -0.299 3.682 3.960 0.034 0.000 0.254 139 G C -0.023 174.673 174.900 -0.341 0.000 0.981 139 G CA 0.601 45.037 45.100 -1.107 0.000 0.670 139 G HN 0.844 nan 8.290 nan 0.000 0.528 140 S N -0.636 115.084 115.700 0.034 0.000 2.713 140 S HA 0.701 5.191 4.470 0.034 0.000 0.283 140 S C 1.846 176.505 174.600 0.098 0.000 1.161 140 S CA 0.793 59.038 58.200 0.075 0.000 0.999 140 S CB 1.637 65.015 63.200 0.295 0.000 1.039 140 S HN 1.554 nan 8.310 nan 0.000 0.548 141 S N 0.953 116.630 115.700 -0.039 0.000 2.423 141 S HA -0.191 4.299 4.470 0.034 0.000 0.238 141 S C 1.878 176.570 174.600 0.153 0.000 1.028 141 S CA 1.084 59.289 58.200 0.010 0.000 1.000 141 S CB -1.274 61.852 63.200 -0.125 0.000 0.797 141 S HN 1.188 nan 8.310 nan 0.000 0.487 142 A N 0.810 123.815 122.820 0.309 0.000 2.014 142 A HA -0.011 4.329 4.320 0.034 0.000 0.218 142 A C 2.012 179.682 177.584 0.143 0.000 1.163 142 A CA 1.322 53.528 52.037 0.283 0.000 0.652 142 A CB -1.073 18.174 19.000 0.412 0.000 0.808 142 A HN 0.803 nan 8.150 nan 0.000 0.449 143 H N -0.527 118.615 119.070 0.119 0.000 2.321 143 H HA -0.160 4.408 4.556 0.020 0.000 0.300 143 H C 2.301 177.710 175.328 0.135 0.000 1.087 143 H CA 1.447 57.503 56.048 0.013 0.000 1.319 143 H CB 0.075 30.040 29.762 0.337 0.000 1.379 143 H HN 0.592 nan 8.280 nan 0.000 0.501 144 N N 0.317 119.266 118.700 0.415 0.000 2.142 144 N HA -0.152 4.608 4.740 0.034 0.000 0.186 144 N C 2.028 177.643 175.510 0.176 0.000 1.023 144 N CA 1.022 54.311 53.050 0.398 0.000 0.852 144 N CB -0.247 38.445 38.487 0.342 0.000 0.998 144 N HN 0.338 nan 8.380 nan 0.000 0.424 145 L N -0.064 121.228 121.223 0.114 0.000 2.013 145 L HA -0.104 4.256 4.340 0.034 0.000 0.212 145 L C 2.079 178.948 176.870 -0.001 0.000 1.073 145 L CA 1.459 56.327 54.840 0.046 0.000 0.753 145 L CB -0.904 41.173 42.059 0.030 0.000 0.890 145 L HN 0.310 nan 8.230 nan 0.000 0.432 146 L N -0.872 120.320 121.223 -0.051 0.000 1.976 146 L HA -0.190 4.171 4.340 0.034 0.000 0.209 146 L C 2.402 179.230 176.870 -0.070 0.000 1.071 146 L CA 2.070 56.841 54.840 -0.115 0.000 0.746 146 L CB -1.080 40.789 42.059 -0.316 0.000 0.890 146 L HN 0.429 nan 8.230 nan 0.000 0.432 147 L N -0.247 120.947 121.223 -0.047 0.000 2.030 147 L HA -0.292 4.068 4.340 0.034 0.000 0.222 147 L C 2.645 179.494 176.870 -0.036 0.000 1.082 147 L CA 1.987 56.793 54.840 -0.057 0.000 0.785 147 L CB -0.697 41.281 42.059 -0.135 0.000 0.895 147 L HN 0.292 nan 8.230 nan 0.000 0.439 148 R N -1.074 119.425 120.500 -0.003 0.000 2.093 148 R HA 0.028 4.389 4.340 0.034 0.000 0.224 148 R C 2.229 178.527 176.300 -0.003 0.000 1.101 148 R CA 1.358 57.462 56.100 0.007 0.000 0.979 148 R CB -0.880 29.441 30.300 0.035 0.000 0.877 148 R HN 0.382 nan 8.270 nan 0.000 0.441 149 V N 1.713 121.621 119.914 -0.010 0.000 2.307 149 V HA -0.181 3.959 4.120 0.034 0.000 0.245 149 V C 2.537 178.622 176.094 -0.015 0.000 1.045 149 V CA 1.392 63.683 62.300 -0.015 0.000 1.024 149 V CB -0.465 31.344 31.823 -0.023 0.000 0.651 149 V HN 0.175 nan 8.190 nan 0.000 0.449 150 L N 0.223 121.434 121.223 -0.021 0.000 2.042 150 L HA -0.215 4.146 4.340 0.034 0.000 0.210 150 L C 2.697 179.557 176.870 -0.015 0.000 1.076 150 L CA 1.762 56.591 54.840 -0.018 0.000 0.749 150 L CB -0.807 41.238 42.059 -0.023 0.000 0.893 150 L HN 0.386 nan 8.230 nan 0.000 0.432 151 A N -0.229 122.580 122.820 -0.018 0.000 2.019 151 A HA -0.200 4.141 4.320 0.034 0.000 0.219 151 A C 2.259 179.837 177.584 -0.009 0.000 1.164 151 A CA 1.437 53.464 52.037 -0.016 0.000 0.644 151 A CB -0.331 18.657 19.000 -0.020 0.000 0.805 151 A HN 0.337 nan 8.150 nan 0.000 0.449 152 K N -0.102 120.294 120.400 -0.007 0.000 2.283 152 K HA -0.005 4.336 4.320 0.034 0.000 0.202 152 K C 1.012 177.610 176.600 -0.003 0.000 1.048 152 K CA 1.243 57.528 56.287 -0.003 0.000 0.948 152 K CB -0.014 32.485 32.500 -0.002 0.000 0.742 152 K HN 0.363 nan 8.250 nan 0.000 0.458 153 S N -0.329 115.368 115.700 -0.004 0.000 2.575 153 S HA 0.157 4.647 4.470 0.034 0.000 0.237 153 S C 0.585 175.183 174.600 -0.004 0.000 0.975 153 S CA 0.266 58.465 58.200 -0.003 0.000 0.960 153 S CB 1.117 64.315 63.200 -0.002 0.000 0.822 153 S HN 0.536 nan 8.310 nan 0.000 0.472 154 G N 1.831 110.628 108.800 -0.005 0.000 2.221 154 G HA2 -0.243 3.737 3.960 0.034 0.000 0.265 154 G HA3 -0.243 3.737 3.960 0.034 0.000 0.265 154 G C -0.172 174.724 174.900 -0.006 0.000 1.041 154 G CA 0.118 45.215 45.100 -0.006 0.000 0.807 154 G HN 0.483 nan 8.290 nan 0.000 0.502 155 L N 0.495 121.713 121.223 -0.008 0.000 2.334 155 L HA 0.756 5.116 4.340 0.034 0.000 0.273 155 L C 0.864 177.727 176.870 -0.011 0.000 1.013 155 L CA -0.381 54.455 54.840 -0.007 0.000 0.816 155 L CB 2.049 44.105 42.059 -0.004 0.000 1.278 155 L HN 0.387 nan 8.230 nan 0.000 0.431 156 S N 1.226 116.921 115.700 -0.008 0.000 2.786 156 S HA 0.442 4.933 4.470 0.034 0.000 0.307 156 S C 0.816 175.417 174.600 0.002 0.000 1.121 156 S CA -0.882 57.310 58.200 -0.013 0.000 0.975 156 S CB 1.332 64.522 63.200 -0.016 0.000 1.220 156 S HN 0.519 nan 8.310 nan 0.000 0.550 157 M N 1.151 120.757 119.600 0.010 0.000 2.279 157 M HA -0.054 4.447 4.480 0.034 0.000 0.264 157 M C 2.046 178.384 176.300 0.062 0.000 1.062 157 M CA 1.341 56.674 55.300 0.055 0.000 1.099 157 M CB -1.432 31.232 32.600 0.107 0.000 1.394 157 M HN 0.837 nan 8.290 nan 0.000 0.426 158 R N -0.661 119.862 120.500 0.039 0.000 2.313 158 R HA 0.004 4.364 4.340 0.034 0.000 0.199 158 R C 0.187 176.501 176.300 0.024 0.000 0.958 158 R CA 0.690 56.811 56.100 0.035 0.000 1.047 158 R CB -0.345 29.971 30.300 0.025 0.000 0.955 158 R HN 0.264 nan 8.270 nan 0.000 0.481 159 D N 1.454 121.866 120.400 0.019 0.000 2.339 159 D HA 0.115 4.775 4.640 0.034 0.000 0.217 159 D C 0.586 176.896 176.300 0.015 0.000 1.050 159 D CA 0.264 54.272 54.000 0.013 0.000 0.856 159 D CB 0.315 41.119 40.800 0.007 0.000 0.922 159 D HN 0.337 nan 8.370 nan 0.000 0.518 160 I N -3.010 117.575 120.570 0.025 0.000 3.002 160 I HA 0.442 4.632 4.170 0.034 0.000 0.310 160 I C -0.390 175.742 176.117 0.026 0.000 1.087 160 I CA -0.782 60.535 61.300 0.028 0.000 1.017 160 I CB 1.982 40.005 38.000 0.039 0.000 1.226 160 I HN -0.441 nan 8.210 nan 0.000 0.443 161 T N 4.712 119.272 114.554 0.010 0.000 2.770 161 T HA 0.495 4.866 4.350 0.034 0.000 0.297 161 T C -2.615 172.047 174.700 -0.063 0.000 0.997 161 T CA -0.967 61.118 62.100 -0.025 0.000 0.949 161 T CB 0.850 69.695 68.868 -0.037 0.000 0.941 161 T HN 0.537 nan 8.240 nan 0.000 0.457 162 P HA 0.310 nan 4.420 nan 0.000 0.280 162 P C -0.960 175.975 177.300 -0.608 0.000 1.244 162 P CA -0.522 62.358 63.100 -0.367 0.000 0.784 162 P CB 1.000 32.306 31.700 -0.657 0.000 0.913 163 L N 4.251 125.150 121.223 -0.541 0.000 2.301 163 L HA 0.328 4.689 4.340 0.034 0.000 0.278 163 L C -0.085 176.438 176.870 -0.578 0.000 1.022 163 L CA -1.034 53.525 54.840 -0.468 0.000 0.854 163 L CB 0.145 42.052 42.059 -0.253 0.000 1.226 163 L HN 0.294 nan 8.230 nan 0.000 0.429 164 Y N 4.758 124.817 120.300 -0.402 0.000 2.674 164 Y HA 0.360 4.926 4.550 0.027 0.000 0.354 164 Y C 0.085 175.824 175.900 -0.269 0.000 1.089 164 Y CA -0.124 57.713 58.100 -0.438 0.000 1.444 164 Y CB -0.098 38.169 38.460 -0.321 0.000 1.187 164 Y HN 0.402 nan 8.280 nan 0.000 0.523 165 L N 2.395 123.549 121.223 -0.115 0.000 2.431 165 L HA 0.441 4.802 4.340 0.034 0.000 0.266 165 L C 0.144 176.974 176.870 -0.066 0.000 0.978 165 L CA -1.146 53.630 54.840 -0.107 0.000 0.822 165 L CB 2.221 44.165 42.059 -0.192 0.000 1.310 165 L HN 0.520 nan 8.230 nan 0.000 0.409 166 S N 1.576 117.247 115.700 -0.050 0.000 2.572 166 S HA 0.153 4.643 4.470 0.034 0.000 0.267 166 S C -1.934 172.600 174.600 -0.111 0.000 1.361 166 S CA -0.690 57.496 58.200 -0.024 0.000 1.009 166 S CB 0.531 63.733 63.200 0.004 0.000 0.888 166 S HN 0.452 nan 8.310 nan 0.000 0.553 167 P HA -0.045 nan 4.420 nan 0.000 0.216 167 P C 1.556 178.508 177.300 -0.579 0.000 1.150 167 P CA 1.962 64.818 63.100 -0.406 0.000 0.837 167 P CB -0.282 31.095 31.700 -0.539 0.000 0.786 168 A N -0.488 122.157 122.820 -0.291 0.000 1.929 168 A HA -0.174 4.167 4.320 0.034 0.000 0.216 168 A C 2.079 179.540 177.584 -0.205 0.000 1.176 168 A CA 1.600 53.539 52.037 -0.162 0.000 0.628 168 A CB -1.230 17.807 19.000 0.062 0.000 0.816 168 A HN 0.122 nan 8.150 nan 0.000 0.444 169 N N 0.568 119.151 118.700 -0.195 0.000 2.216 169 N HA -0.033 4.728 4.740 0.034 0.000 0.183 169 N C 1.826 177.139 175.510 -0.329 0.000 1.017 169 N CA 1.390 54.319 53.050 -0.201 0.000 0.861 169 N CB -0.549 37.854 38.487 -0.139 0.000 0.986 169 N HN 0.448 nan 8.380 nan 0.000 0.428 170 A N 1.261 123.794 122.820 -0.480 0.000 1.933 170 A HA -0.131 4.209 4.320 0.034 0.000 0.218 170 A C 2.275 179.141 177.584 -1.197 0.000 1.175 170 A CA 1.523 53.053 52.037 -0.845 0.000 0.628 170 A CB -0.404 17.992 19.000 -1.007 0.000 0.814 170 A HN 0.218 nan 8.150 nan 0.000 0.444 171 R N 0.135 119.984 120.500 -1.086 0.000 2.115 171 R HA 0.024 4.384 4.340 0.034 0.000 0.230 171 R C 2.001 178.106 176.300 -0.326 0.000 1.111 171 R CA 1.847 57.476 56.100 -0.786 0.000 0.976 171 R CB -0.627 29.527 30.300 -0.243 0.000 0.870 171 R HN 0.362 nan 8.270 nan 0.000 0.445 172 A N 0.206 122.869 122.820 -0.262 0.000 1.930 172 A HA 0.133 4.474 4.320 0.034 0.000 0.215 172 A C 2.357 179.859 177.584 -0.137 0.000 1.176 172 A CA 1.214 53.174 52.037 -0.129 0.000 0.632 172 A CB -0.882 18.061 19.000 -0.095 0.000 0.819 172 A HN 0.468 nan 8.150 nan 0.000 0.445 173 A N -1.129 121.564 122.820 -0.212 0.000 1.933 173 A HA -0.067 4.274 4.320 0.034 0.000 0.218 173 A C 2.031 179.521 177.584 -0.157 0.000 1.175 173 A CA 1.558 53.483 52.037 -0.187 0.000 0.628 173 A CB -0.703 18.159 19.000 -0.230 0.000 0.814 173 A HN 0.599 nan 8.150 nan 0.000 0.444 174 F N 0.779 120.517 119.950 -0.353 0.000 2.102 174 F HA -0.068 4.482 4.527 0.039 0.000 0.298 174 F C 2.594 178.319 175.800 -0.125 0.000 1.105 174 F CA 1.392 59.243 58.000 -0.248 0.000 1.239 174 F CB -0.341 38.465 39.000 -0.323 0.000 0.991 174 F HN 0.251 nan 8.300 nan 0.000 0.474 175 A N 0.048 122.927 122.820 0.098 0.000 1.978 175 A HA -0.103 4.237 4.320 0.034 0.000 0.220 175 A C 2.163 179.727 177.584 -0.033 0.000 1.170 175 A CA 1.702 53.774 52.037 0.058 0.000 0.636 175 A CB -1.428 17.612 19.000 0.067 0.000 0.810 175 A HN 0.464 nan 8.150 nan 0.000 0.448 176 A N -2.075 120.705 122.820 -0.066 0.000 2.251 176 A HA 0.426 4.766 4.320 0.034 0.000 0.209 176 A C 1.728 179.248 177.584 -0.106 0.000 1.187 176 A CA 1.134 53.125 52.037 -0.076 0.000 0.823 176 A CB -0.831 18.126 19.000 -0.071 0.000 0.846 176 A HN 1.906 nan 8.150 nan 0.000 0.486 177 G N -0.886 107.818 108.800 -0.160 0.000 2.136 177 G HA2 -0.296 3.685 3.960 0.034 0.000 0.242 177 G HA3 -0.296 3.685 3.960 0.034 0.000 0.242 177 G C 0.551 175.357 174.900 -0.156 0.000 0.989 177 G CA 0.557 45.550 45.100 -0.179 0.000 0.682 177 G HN 0.575 nan 8.290 nan 0.000 0.522 178 Q N -0.871 118.838 119.800 -0.153 0.000 2.392 178 Q HA 0.388 4.748 4.340 0.034 0.000 0.203 178 Q C 1.121 177.046 176.000 -0.125 0.000 0.917 178 Q CA 1.003 56.731 55.803 -0.124 0.000 0.939 178 Q CB 0.962 29.630 28.738 -0.117 0.000 1.063 178 Q HN 1.091 nan 8.270 nan 0.000 0.516 179 V N -3.392 116.432 119.914 -0.149 0.000 2.962 179 V HA 0.349 4.489 4.120 0.034 0.000 0.313 179 V C -0.274 175.763 176.094 -0.094 0.000 1.099 179 V CA -0.842 61.400 62.300 -0.097 0.000 0.971 179 V CB 2.248 34.038 31.823 -0.055 0.000 1.028 179 V HN -0.116 nan 8.190 nan 0.000 0.430 180 D N 2.106 122.492 120.400 -0.024 0.000 2.301 180 D HA 0.440 5.101 4.640 0.034 0.000 0.206 180 D C 0.669 177.013 176.300 0.073 0.000 0.979 180 D CA 1.664 55.659 54.000 -0.008 0.000 0.874 180 D CB 1.329 42.130 40.800 0.001 0.000 0.968 180 D HN 1.016 nan 8.370 nan 0.000 0.510 181 A N -0.118 122.796 122.820 0.157 0.000 2.609 181 A HA 0.501 4.841 4.320 0.034 0.000 0.291 181 A C -2.215 175.602 177.584 0.389 0.000 1.096 181 A CA -0.626 51.573 52.037 0.269 0.000 0.684 181 A CB 1.769 20.868 19.000 0.165 0.000 1.282 181 A HN 0.065 nan 8.150 nan 0.000 0.412 182 W N 1.278 122.662 121.300 0.141 0.000 2.830 182 W HA 0.682 5.376 4.660 0.056 0.000 0.335 182 W C -0.647 175.863 176.519 -0.016 0.000 1.043 182 W CA -0.865 56.512 57.345 0.054 0.000 1.239 182 W CB 1.365 30.806 29.460 -0.032 0.000 1.378 182 W HN 1.176 nan 8.180 nan 0.000 0.456 183 A N 6.541 129.460 122.820 0.165 0.000 2.276 183 A HA 0.763 5.104 4.320 0.034 0.000 0.300 183 A C -1.299 176.083 177.584 -0.336 0.000 1.235 183 A CA -0.135 51.855 52.037 -0.078 0.000 0.867 183 A CB 0.527 19.517 19.000 -0.017 0.000 1.137 183 A HN 0.711 nan 8.150 nan 0.000 0.527 184 I N 0.948 121.193 120.570 -0.543 0.000 3.149 184 I HA 0.749 4.939 4.170 0.034 0.000 0.310 184 I C -1.619 174.240 176.117 -0.430 0.000 1.343 184 I CA -0.803 59.929 61.300 -0.945 0.000 0.955 184 I CB 1.571 38.410 38.000 -1.935 0.000 1.309 184 I HN 0.877 nan 8.210 nan 0.000 0.478 185 W N 1.239 122.447 121.300 -0.153 0.000 2.869 185 W HA 0.704 5.375 4.660 0.020 0.000 0.345 185 W C -0.718 175.882 176.519 0.135 0.000 1.191 185 W CA -0.781 56.557 57.345 -0.013 0.000 1.104 185 W CB -0.305 29.171 29.460 0.027 0.000 1.471 185 W HN 0.287 nan 8.180 nan 0.000 0.612 186 D N 2.211 122.857 120.400 0.409 0.000 2.443 186 D HA 0.043 4.703 4.640 0.034 0.000 0.239 186 D C -1.122 175.347 176.300 0.281 0.000 1.136 186 D CA -1.046 53.136 54.000 0.304 0.000 0.879 186 D CB 1.213 42.185 40.800 0.288 0.000 1.195 186 D HN 0.198 nan 8.370 nan 0.000 0.443 187 P HA 0.044 nan 4.420 nan 0.000 0.261 187 P C 0.931 178.121 177.300 -0.183 0.000 1.268 187 P CA 0.131 63.158 63.100 -0.123 0.000 0.833 187 P CB 0.144 31.700 31.700 -0.240 0.000 1.231 188 W N -0.342 120.901 121.300 -0.096 0.000 2.335 188 W HA -0.204 4.469 4.660 0.023 0.000 0.311 188 W C 2.539 178.962 176.519 -0.160 0.000 1.213 188 W CA 0.757 57.991 57.345 -0.185 0.000 1.274 188 W CB -2.007 27.187 29.460 -0.444 0.000 1.148 188 W HN -0.032 nan 8.180 nan 0.000 0.498 189 Y N 1.722 121.979 120.300 -0.072 0.000 2.040 189 Y HA -0.368 4.212 4.550 0.050 0.000 0.275 189 Y C 2.425 178.323 175.900 -0.003 0.000 1.171 189 Y CA 2.137 60.184 58.100 -0.087 0.000 1.123 189 Y CB -1.146 37.264 38.460 -0.084 0.000 0.963 189 Y HN -0.149 nan 8.280 nan 0.000 0.493 190 S N 0.524 116.072 115.700 -0.253 0.000 2.368 190 S HA -0.113 4.377 4.470 0.034 0.000 0.224 190 S C 2.319 176.818 174.600 -0.168 0.000 1.029 190 S CA 1.045 59.043 58.200 -0.336 0.000 0.988 190 S CB -0.895 62.178 63.200 -0.213 0.000 0.838 190 S HN 0.675 nan 8.310 nan 0.000 0.462 191 A N 1.288 124.047 122.820 -0.101 0.000 1.858 191 A HA -0.040 4.300 4.320 0.034 0.000 0.216 191 A C 2.042 179.626 177.584 -0.000 0.000 1.190 191 A CA 1.367 53.369 52.037 -0.059 0.000 0.617 191 A CB -0.686 18.268 19.000 -0.077 0.000 0.827 191 A HN 0.389 nan 8.150 nan 0.000 0.443 192 L N 0.099 121.346 121.223 0.040 0.000 2.179 192 L HA -0.073 4.287 4.340 0.034 0.000 0.208 192 L C 2.858 179.775 176.870 0.078 0.000 1.096 192 L CA 2.135 57.026 54.840 0.084 0.000 0.779 192 L CB -0.714 41.393 42.059 0.080 0.000 0.922 192 L HN 0.644 nan 8.230 nan 0.000 0.443 193 T N -3.726 110.853 114.554 0.042 0.000 2.942 193 T HA -0.077 4.293 4.350 0.034 0.000 0.265 193 T C 1.896 176.606 174.700 0.018 0.000 1.062 193 T CA 0.771 62.901 62.100 0.050 0.000 1.139 193 T CB -0.404 68.488 68.868 0.041 0.000 0.883 193 T HN 0.203 nan 8.240 nan 0.000 0.468 194 L N 1.813 123.025 121.223 -0.019 0.000 2.179 194 L HA 0.063 4.424 4.340 0.034 0.000 0.208 194 L C 2.283 179.157 176.870 0.006 0.000 1.096 194 L CA 1.384 56.213 54.840 -0.019 0.000 0.779 194 L CB -0.340 41.690 42.059 -0.048 0.000 0.922 194 L HN 0.416 nan 8.230 nan 0.000 0.443 195 D N -0.831 119.583 120.400 0.023 0.000 2.339 195 D HA 0.037 4.698 4.640 0.034 0.000 0.217 195 D C 1.377 177.710 176.300 0.056 0.000 1.050 195 D CA 0.679 54.701 54.000 0.036 0.000 0.856 195 D CB 0.269 41.093 40.800 0.040 0.000 0.922 195 D HN 0.200 nan 8.370 nan 0.000 0.518 196 G N -0.234 108.606 108.800 0.065 0.000 2.159 196 G HA2 -0.354 3.627 3.960 0.034 0.000 0.256 196 G HA3 -0.354 3.627 3.960 0.034 0.000 0.256 196 G C 1.273 176.243 174.900 0.117 0.000 0.977 196 G CA 0.508 45.656 45.100 0.079 0.000 0.652 196 G HN 0.335 nan 8.290 nan 0.000 0.531 197 S N -0.349 115.443 115.700 0.153 0.000 2.402 197 S HA 0.443 4.934 4.470 0.034 0.000 0.229 197 S C 1.239 176.052 174.600 0.356 0.000 1.021 197 S CA 1.714 60.063 58.200 0.249 0.000 0.974 197 S CB 0.059 63.434 63.200 0.291 0.000 0.800 197 S HN 1.840 nan 8.310 nan 0.000 0.484 198 A N 0.582 123.569 122.820 0.278 0.000 2.556 198 A HA 0.764 5.104 4.320 0.034 0.000 0.294 198 A C -0.746 176.957 177.584 0.198 0.000 1.091 198 A CA -0.836 51.386 52.037 0.308 0.000 0.704 198 A CB 1.238 20.395 19.000 0.261 0.000 1.300 198 A HN 0.237 nan 8.150 nan 0.000 0.406 199 R N 0.236 120.850 120.500 0.189 0.000 2.532 199 R HA 0.496 4.856 4.340 0.034 0.000 0.295 199 R C -0.900 175.480 176.300 0.133 0.000 0.968 199 R CA -0.903 55.281 56.100 0.140 0.000 0.916 199 R CB 1.747 32.111 30.300 0.107 0.000 1.124 199 R HN 0.627 nan 8.270 nan 0.000 0.463 200 L N 3.209 124.506 121.223 0.125 0.000 2.455 200 L HA 0.018 4.378 4.340 0.034 0.000 0.272 200 L C 0.372 177.259 176.870 0.029 0.000 1.174 200 L CA 0.519 55.395 54.840 0.061 0.000 0.869 200 L CB 0.685 42.786 42.059 0.069 0.000 1.130 200 L HN 0.702 nan 8.230 nan 0.000 0.474 201 L N 5.076 126.300 121.223 0.001 0.000 2.362 201 L HA 0.627 4.987 4.340 0.034 0.000 0.204 201 L C 0.406 177.263 176.870 -0.023 0.000 1.060 201 L CA 1.087 55.931 54.840 0.006 0.000 0.827 201 L CB 0.070 42.142 42.059 0.022 0.000 1.027 201 L HN 0.769 nan 8.230 nan 0.000 0.474 202 A N -0.679 122.105 122.820 -0.061 0.000 2.589 202 A HA 0.624 4.964 4.320 0.034 0.000 0.296 202 A C -1.243 176.264 177.584 -0.129 0.000 1.062 202 A CA -0.401 51.593 52.037 -0.071 0.000 0.686 202 A CB 0.883 19.854 19.000 -0.047 0.000 1.282 202 A HN 0.328 nan 8.150 nan 0.000 0.404 203 N N -0.139 118.486 118.700 -0.126 0.000 3.100 203 N HA 0.626 5.387 4.740 0.034 0.000 0.344 203 N C 0.731 176.185 175.510 -0.093 0.000 1.413 203 N CA -0.036 52.914 53.050 -0.165 0.000 0.752 203 N CB 0.400 38.755 38.487 -0.219 0.000 1.519 203 N HN 0.720 nan 8.380 nan 0.000 0.620 204 G N -1.682 107.071 108.800 -0.078 0.000 3.189 204 G HA2 0.063 4.044 3.960 0.034 0.000 0.225 204 G HA3 0.063 4.044 3.960 0.034 0.000 0.225 204 G C -0.187 174.704 174.900 -0.015 0.000 1.159 204 G CA -0.261 44.819 45.100 -0.034 0.000 0.763 204 G HN 0.562 nan 8.290 nan 0.000 0.549 205 E N -0.044 120.143 120.200 -0.021 0.000 2.414 205 E HA 0.353 4.723 4.350 0.034 0.000 0.263 205 E C 1.320 177.922 176.600 0.004 0.000 1.000 205 E CA 0.725 57.123 56.400 -0.003 0.000 0.914 205 E CB 0.623 30.321 29.700 -0.004 0.000 0.948 205 E HN 0.239 nan 8.360 nan 0.000 0.444 206 G N 2.594 111.402 108.800 0.013 0.000 2.176 206 G HA2 -0.296 3.684 3.960 0.034 0.000 0.253 206 G HA3 -0.296 3.684 3.960 0.034 0.000 0.253 206 G C 0.691 175.602 174.900 0.018 0.000 0.979 206 G CA 0.298 45.407 45.100 0.015 0.000 0.641 206 G HN 0.507 nan 8.290 nan 0.000 0.530 207 L N 0.698 121.933 121.223 0.021 0.000 2.567 207 L HA 0.419 4.780 4.340 0.034 0.000 0.225 207 L C 2.018 178.910 176.870 0.037 0.000 1.119 207 L CA 0.493 55.349 54.840 0.027 0.000 0.871 207 L CB -0.121 41.955 42.059 0.028 0.000 1.036 207 L HN 0.903 nan 8.230 nan 0.000 0.459 208 G N 1.704 110.528 108.800 0.039 0.000 2.338 208 G HA2 -0.277 3.703 3.960 0.034 0.000 0.296 208 G HA3 -0.277 3.703 3.960 0.034 0.000 0.296 208 G C 0.176 175.112 174.900 0.061 0.000 1.040 208 G CA -0.140 44.989 45.100 0.048 0.000 1.004 208 G HN 0.243 nan 8.290 nan 0.000 0.509 209 L N -0.345 120.915 121.223 0.062 0.000 2.485 209 L HA 0.133 4.494 4.340 0.034 0.000 0.275 209 L C 2.123 179.053 176.870 0.100 0.000 1.207 209 L CA 0.450 55.334 54.840 0.073 0.000 0.855 209 L CB 0.273 42.363 42.059 0.053 0.000 1.114 209 L HN 0.288 nan 8.230 nan 0.000 0.485 210 T N 1.151 115.774 114.554 0.115 0.000 2.812 210 T HA 0.108 4.479 4.350 0.034 0.000 0.264 210 T C 0.953 175.798 174.700 0.242 0.000 1.042 210 T CA 0.936 63.136 62.100 0.165 0.000 1.140 210 T CB 0.035 69.011 68.868 0.181 0.000 0.870 210 T HN 1.015 nan 8.240 nan 0.000 0.445 211 G N -0.046 108.803 108.800 0.082 0.000 2.460 211 G HA2 0.337 4.317 3.960 0.034 0.000 0.207 211 G HA3 0.337 4.317 3.960 0.034 0.000 0.207 211 G C -0.154 174.605 174.900 -0.235 0.000 1.170 211 G CA -0.338 44.725 45.100 -0.061 0.000 1.151 211 G HN 0.792 nan 8.290 nan 0.000 0.575 212 G N -1.684 106.847 108.800 -0.447 0.000 2.921 212 G HA2 0.862 4.842 3.960 0.034 0.000 0.291 212 G HA3 0.862 4.842 3.960 0.034 0.000 0.291 212 G C -1.752 172.703 174.900 -0.741 0.000 1.370 212 G CA -0.600 44.219 45.100 -0.467 0.000 0.847 212 G HN 0.978 nan 8.290 nan 0.000 0.532 213 F N -1.385 118.597 119.950 0.054 0.000 2.613 213 F HA 0.590 5.142 4.527 0.041 0.000 0.310 213 F C -0.972 174.796 175.800 -0.053 0.000 1.085 213 F CA -0.801 57.294 58.000 0.158 0.000 0.945 213 F CB 2.241 41.406 39.000 0.274 0.000 1.298 213 F HN 0.274 nan 8.300 nan 0.000 0.455 214 F N 3.636 123.754 119.950 0.280 0.000 2.411 214 F HA 0.490 5.041 4.527 0.041 0.000 0.350 214 F C -0.452 175.409 175.800 0.101 0.000 1.114 214 F CA -0.497 57.592 58.000 0.147 0.000 1.135 214 F CB 0.734 39.804 39.000 0.117 0.000 1.120 214 F HN -0.032 nan 8.300 nan 0.000 0.495 215 L N 2.708 123.952 121.223 0.035 0.000 2.331 215 L HA 0.558 4.919 4.340 0.034 0.000 0.275 215 L C 0.027 176.858 176.870 -0.065 0.000 1.022 215 L CA -0.479 54.304 54.840 -0.095 0.000 0.812 215 L CB 1.338 43.260 42.059 -0.227 0.000 1.257 215 L HN 0.553 nan 8.230 nan 0.000 0.435 216 S N 0.445 116.081 115.700 -0.106 0.000 2.627 216 S HA 0.489 4.979 4.470 0.034 0.000 0.283 216 S C -0.513 174.020 174.600 -0.112 0.000 1.127 216 S CA -0.423 57.712 58.200 -0.108 0.000 0.863 216 S CB 1.763 64.882 63.200 -0.135 0.000 1.121 216 S HN 0.676 nan 8.310 nan 0.000 0.479 217 S N 1.715 117.366 115.700 -0.083 0.000 2.537 217 S HA 0.130 4.620 4.470 0.034 0.000 0.286 217 S C 1.341 175.922 174.600 -0.032 0.000 1.299 217 S CA 0.021 58.195 58.200 -0.044 0.000 1.067 217 S CB 0.417 63.616 63.200 -0.002 0.000 0.864 217 S HN 0.807 nan 8.310 nan 0.000 0.494 218 R N 4.011 124.490 120.500 -0.035 0.000 2.081 218 R HA -0.089 4.271 4.340 0.034 0.000 0.235 218 R C 2.301 178.595 176.300 -0.011 0.000 1.131 218 R CA 1.699 57.779 56.100 -0.034 0.000 0.960 218 R CB -0.217 30.076 30.300 -0.011 0.000 0.856 218 R HN 0.782 nan 8.270 nan 0.000 0.436 219 R N -0.972 119.539 120.500 0.018 0.000 2.091 219 R HA -0.204 4.156 4.340 0.034 0.000 0.238 219 R C 2.199 178.536 176.300 0.062 0.000 1.136 219 R CA 1.940 58.056 56.100 0.028 0.000 0.959 219 R CB -0.502 29.824 30.300 0.043 0.000 0.856 219 R HN 0.330 nan 8.270 nan 0.000 0.437 220 Y N 0.713 121.012 120.300 -0.003 0.000 2.220 220 Y HA -0.119 4.452 4.550 0.035 0.000 0.291 220 Y C 2.281 178.216 175.900 0.059 0.000 1.129 220 Y CA 1.321 59.483 58.100 0.105 0.000 1.161 220 Y CB -0.144 38.373 38.460 0.095 0.000 0.997 220 Y HN 0.052 nan 8.280 nan 0.000 0.522 221 A N -1.089 121.757 122.820 0.043 0.000 1.969 221 A HA -0.127 4.214 4.320 0.034 0.000 0.218 221 A C 2.181 179.696 177.584 -0.115 0.000 1.169 221 A CA 2.009 53.909 52.037 -0.227 0.000 0.635 221 A CB -1.161 17.415 19.000 -0.706 0.000 0.810 221 A HN 0.465 nan 8.150 nan 0.000 0.445 222 T N 0.302 114.819 114.554 -0.062 0.000 2.708 222 T HA -0.018 4.352 4.350 0.034 0.000 0.266 222 T C 2.220 176.846 174.700 -0.124 0.000 1.037 222 T CA 1.580 63.678 62.100 -0.003 0.000 1.146 222 T CB -0.394 68.465 68.868 -0.014 0.000 0.865 222 T HN 0.571 nan 8.240 nan 0.000 0.435 223 A N 0.053 122.689 122.820 -0.308 0.000 1.969 223 A HA 0.010 4.351 4.320 0.034 0.000 0.218 223 A C 1.034 178.061 177.584 -0.929 0.000 1.169 223 A CA 0.713 52.293 52.037 -0.762 0.000 0.635 223 A CB -0.494 17.840 19.000 -1.111 0.000 0.810 223 A HN 0.741 nan 8.150 nan 0.000 0.445 224 W N -1.303 119.893 121.300 -0.173 0.000 1.232 224 W HA 0.433 5.113 4.660 0.033 0.000 0.294 224 W C 1.459 178.000 176.519 0.036 0.000 0.854 224 W CA -0.392 56.858 57.345 -0.160 0.000 2.354 224 W CB 0.027 29.200 29.460 -0.479 0.000 1.496 224 W HN 0.224 nan 8.180 nan 0.000 0.511 225 G N 1.918 110.889 108.800 0.284 0.000 2.491 225 G HA2 -0.251 3.729 3.960 0.034 0.000 0.218 225 G HA3 -0.251 3.729 3.960 0.034 0.000 0.218 225 G C -0.622 174.552 174.900 0.457 0.000 1.180 225 G CA 1.405 46.801 45.100 0.493 0.000 0.774 225 G HN 0.079 nan 8.290 nan 0.000 0.562 226 P HA -0.066 nan 4.420 nan 0.000 0.217 226 P C 1.579 179.059 177.300 0.300 0.000 1.150 226 P CA 0.608 63.878 63.100 0.282 0.000 0.832 226 P CB -0.129 31.716 31.700 0.243 0.000 0.787 227 F N 0.080 120.128 119.950 0.163 0.000 2.146 227 F HA -0.162 4.386 4.527 0.035 0.000 0.298 227 F C 1.922 177.728 175.800 0.010 0.000 1.096 227 F CA 1.297 59.316 58.000 0.031 0.000 1.275 227 F CB -0.867 38.069 39.000 -0.105 0.000 1.008 227 F HN -0.321 nan 8.300 nan 0.000 0.480 228 V N 0.826 120.808 119.914 0.114 0.000 2.343 228 V HA -0.338 3.803 4.120 0.034 0.000 0.247 228 V C 2.459 178.582 176.094 0.049 0.000 1.051 228 V CA 2.278 64.574 62.300 -0.006 0.000 1.036 228 V CB -0.898 30.933 31.823 0.012 0.000 0.654 228 V HN 0.518 nan 8.190 nan 0.000 0.451 229 Q N -0.337 119.606 119.800 0.238 0.000 2.050 229 Q HA -0.300 4.060 4.340 0.034 0.000 0.202 229 Q C 2.314 178.374 176.000 0.101 0.000 0.980 229 Q CA 2.171 58.110 55.803 0.226 0.000 0.840 229 Q CB -0.107 28.777 28.738 0.244 0.000 0.898 229 Q HN 0.689 nan 8.270 nan 0.000 0.424 230 Q N -0.580 119.276 119.800 0.093 0.000 2.124 230 Q HA -0.127 4.233 4.340 0.034 0.000 0.202 230 Q C 2.171 178.238 176.000 0.112 0.000 0.977 230 Q CA 1.634 57.520 55.803 0.138 0.000 0.850 230 Q CB 0.073 28.994 28.738 0.305 0.000 0.901 230 Q HN 0.244 nan 8.270 nan 0.000 0.429 231 V N 0.595 120.438 119.914 -0.118 0.000 2.252 231 V HA -0.333 3.808 4.120 0.034 0.000 0.249 231 V C 2.220 178.234 176.094 -0.134 0.000 1.056 231 V CA 1.645 63.826 62.300 -0.199 0.000 1.022 231 V CB -0.490 31.027 31.823 -0.510 0.000 0.641 231 V HN 0.467 nan 8.190 nan 0.000 0.445 232 M N 0.281 119.796 119.600 -0.141 0.000 2.108 232 M HA -0.115 4.385 4.480 0.034 0.000 0.261 232 M C 2.400 178.644 176.300 -0.093 0.000 1.066 232 M CA 2.132 57.332 55.300 -0.167 0.000 1.107 232 M CB -2.013 30.556 32.600 -0.053 0.000 1.356 232 M HN 0.470 nan 8.290 nan 0.000 0.406 233 G N -0.128 108.658 108.800 -0.022 0.000 2.505 233 G HA2 -0.247 3.733 3.960 0.034 0.000 0.220 233 G HA3 -0.247 3.733 3.960 0.034 0.000 0.220 233 G C 1.545 176.434 174.900 -0.018 0.000 1.145 233 G CA 1.807 46.904 45.100 -0.005 0.000 0.761 233 G HN 0.451 nan 8.290 nan 0.000 0.571 234 T N 1.006 115.554 114.554 -0.010 0.000 2.942 234 T HA 0.100 4.470 4.350 0.034 0.000 0.265 234 T C 2.387 177.080 174.700 -0.011 0.000 1.062 234 T CA 0.502 62.601 62.100 -0.002 0.000 1.139 234 T CB -0.082 68.808 68.868 0.037 0.000 0.883 234 T HN 0.153 nan 8.240 nan 0.000 0.468 235 L N 1.707 122.898 121.223 -0.053 0.000 2.217 235 L HA -0.025 4.336 4.340 0.034 0.000 0.211 235 L C 2.709 179.538 176.870 -0.069 0.000 1.107 235 L CA 0.746 55.543 54.840 -0.072 0.000 0.783 235 L CB -0.604 41.321 42.059 -0.224 0.000 0.919 235 L HN 0.317 nan 8.230 nan 0.000 0.442 236 N N 0.161 118.817 118.700 -0.073 0.000 2.166 236 N HA -0.208 4.553 4.740 0.034 0.000 0.186 236 N C 1.784 177.274 175.510 -0.033 0.000 1.019 236 N CA 1.278 54.298 53.050 -0.050 0.000 0.856 236 N CB 0.162 38.629 38.487 -0.034 0.000 0.993 236 N HN 0.328 nan 8.380 nan 0.000 0.426 237 Q N 0.758 120.542 119.800 -0.026 0.000 2.079 237 Q HA 0.052 4.413 4.340 0.034 0.000 0.200 237 Q C 2.190 178.176 176.000 -0.023 0.000 0.974 237 Q CA 1.223 57.014 55.803 -0.019 0.000 0.840 237 Q CB -0.842 27.888 28.738 -0.013 0.000 0.898 237 Q HN 0.468 nan 8.270 nan 0.000 0.430 238 A N 1.364 124.168 122.820 -0.025 0.000 1.927 238 A HA -0.277 4.063 4.320 0.034 0.000 0.220 238 A C 1.909 179.460 177.584 -0.054 0.000 1.185 238 A CA 2.126 54.135 52.037 -0.046 0.000 0.639 238 A CB -0.864 18.112 19.000 -0.040 0.000 0.820 238 A HN 0.441 nan 8.150 nan 0.000 0.451 239 D N -0.963 119.414 120.400 -0.038 0.000 2.182 239 D HA -0.045 4.615 4.640 0.034 0.000 0.201 239 D C 1.913 178.190 176.300 -0.039 0.000 0.986 239 D CA 1.515 55.492 54.000 -0.037 0.000 0.847 239 D CB -0.377 40.401 40.800 -0.036 0.000 0.942 239 D HN 0.346 nan 8.370 nan 0.000 0.467 240 G N 0.222 109.002 108.800 -0.034 0.000 2.432 240 G HA2 -0.202 3.778 3.960 0.034 0.000 0.219 240 G HA3 -0.202 3.778 3.960 0.034 0.000 0.219 240 G C 1.666 176.549 174.900 -0.028 0.000 1.135 240 G CA 0.396 45.480 45.100 -0.026 0.000 0.767 240 G HN 0.331 nan 8.290 nan 0.000 0.550 241 L N -0.053 121.147 121.223 -0.038 0.000 2.089 241 L HA -0.167 4.194 4.340 0.034 0.000 0.213 241 L C 2.850 179.694 176.870 -0.043 0.000 1.079 241 L CA 0.947 55.761 54.840 -0.044 0.000 0.758 241 L CB -0.449 41.552 42.059 -0.096 0.000 0.891 241 L HN 0.251 nan 8.230 nan 0.000 0.433 242 L N -1.110 120.084 121.223 -0.049 0.000 2.191 242 L HA -0.173 4.188 4.340 0.034 0.000 0.212 242 L C 2.546 179.397 176.870 -0.032 0.000 1.103 242 L CA 0.991 55.805 54.840 -0.043 0.000 0.769 242 L CB -0.374 41.660 42.059 -0.042 0.000 0.908 242 L HN 0.322 nan 8.230 nan 0.000 0.438 243 E N 0.285 120.469 120.200 -0.026 0.000 2.094 243 E HA -0.063 4.308 4.350 0.034 0.000 0.193 243 E C 2.166 178.758 176.600 -0.014 0.000 0.950 243 E CA 0.536 56.925 56.400 -0.019 0.000 0.842 243 E CB -0.075 29.615 29.700 -0.016 0.000 0.816 243 E HN 0.491 nan 8.360 nan 0.000 0.465 244 R N 1.122 121.615 120.500 -0.012 0.000 2.200 244 R HA -0.092 4.268 4.340 0.034 0.000 0.234 244 R C 0.506 176.804 176.300 -0.002 0.000 1.127 244 R CA 1.582 57.679 56.100 -0.006 0.000 0.989 244 R CB -0.061 30.237 30.300 -0.003 0.000 0.869 244 R HN -0.084 nan 8.270 nan 0.000 0.459 245 D N 0.198 120.596 120.400 -0.003 0.000 2.945 245 D HA 0.140 4.800 4.640 0.034 0.000 0.369 245 D C 0.709 177.005 176.300 -0.005 0.000 1.294 245 D CA -0.475 53.528 54.000 0.005 0.000 0.778 245 D CB 0.377 41.194 40.800 0.029 0.000 1.188 245 D HN 0.173 nan 8.370 nan 0.000 0.479 246 R N 0.538 121.030 120.500 -0.012 0.000 2.097 246 R HA -0.182 4.179 4.340 0.034 0.000 0.236 246 R C 1.749 178.037 176.300 -0.020 0.000 1.135 246 R CA 2.040 58.127 56.100 -0.021 0.000 0.934 246 R CB -0.075 30.212 30.300 -0.022 0.000 0.846 246 R HN 0.224 nan 8.270 nan 0.000 0.431 247 A N 0.072 122.883 122.820 -0.016 0.000 1.898 247 A HA -0.036 4.304 4.320 0.034 0.000 0.216 247 A C 2.389 179.966 177.584 -0.011 0.000 1.181 247 A CA 1.641 53.668 52.037 -0.016 0.000 0.620 247 A CB -1.180 17.812 19.000 -0.014 0.000 0.819 247 A HN 0.635 nan 8.150 nan 0.000 0.442 248 G N -0.741 108.059 108.800 -0.000 0.000 2.421 248 G HA2 -0.153 3.828 3.960 0.034 0.000 0.216 248 G HA3 -0.153 3.828 3.960 0.034 0.000 0.216 248 G C 1.844 176.754 174.900 0.016 0.000 1.171 248 G CA 1.290 46.398 45.100 0.015 0.000 0.775 248 G HN 0.469 nan 8.290 nan 0.000 0.543 249 S N 0.557 116.258 115.700 0.001 0.000 2.359 249 S HA -0.098 4.392 4.470 0.034 0.000 0.224 249 S C 2.307 176.887 174.600 -0.034 0.000 1.035 249 S CA 1.158 59.342 58.200 -0.027 0.000 1.018 249 S CB -0.265 62.907 63.200 -0.046 0.000 0.876 249 S HN 0.389 nan 8.310 nan 0.000 0.448 250 I N 1.852 122.402 120.570 -0.034 0.000 2.163 250 I HA -0.281 3.910 4.170 0.034 0.000 0.243 250 I C 2.434 178.530 176.117 -0.035 0.000 1.085 250 I CA 1.627 62.903 61.300 -0.041 0.000 1.347 250 I CB -0.367 37.608 38.000 -0.042 0.000 1.044 250 I HN 0.325 nan 8.210 nan 0.000 0.408 251 K N 0.501 120.886 120.400 -0.024 0.000 2.097 251 K HA -0.078 4.263 4.320 0.034 0.000 0.205 251 K C 1.750 178.339 176.600 -0.018 0.000 1.050 251 K CA 1.757 58.032 56.287 -0.021 0.000 0.938 251 K CB -1.061 31.429 32.500 -0.015 0.000 0.718 251 K HN 0.103 nan 8.250 nan 0.000 0.442 252 T N 1.616 116.164 114.554 -0.010 0.000 2.701 252 T HA 0.006 4.377 4.350 0.034 0.000 0.263 252 T C 1.745 176.428 174.700 -0.028 0.000 1.040 252 T CA 1.529 63.626 62.100 -0.005 0.000 1.147 252 T CB -0.351 68.534 68.868 0.028 0.000 0.865 252 T HN 0.111 nan 8.240 nan 0.000 0.426 253 L N 0.958 122.155 121.223 -0.043 0.000 2.042 253 L HA -0.143 4.217 4.340 0.034 0.000 0.210 253 L C 3.067 179.906 176.870 -0.051 0.000 1.076 253 L CA 1.324 56.132 54.840 -0.053 0.000 0.749 253 L CB -0.785 41.238 42.059 -0.060 0.000 0.893 253 L HN 0.244 nan 8.230 nan 0.000 0.432 254 A N -0.452 122.339 122.820 -0.048 0.000 1.883 254 A HA -0.310 4.031 4.320 0.034 0.000 0.217 254 A C 2.267 179.826 177.584 -0.040 0.000 1.186 254 A CA 2.035 54.044 52.037 -0.048 0.000 0.624 254 A CB -0.655 18.319 19.000 -0.043 0.000 0.822 254 A HN 0.462 nan 8.150 nan 0.000 0.444 255 Q N -0.640 119.141 119.800 -0.032 0.000 2.061 255 Q HA -0.149 4.211 4.340 0.034 0.000 0.204 255 Q C 2.055 178.039 176.000 -0.026 0.000 0.984 255 Q CA 2.251 58.038 55.803 -0.025 0.000 0.846 255 Q CB -0.233 28.493 28.738 -0.019 0.000 0.902 255 Q HN 0.434 nan 8.270 nan 0.000 0.421 256 V N 0.178 120.075 119.914 -0.029 0.000 2.283 256 V HA -0.219 3.921 4.120 0.034 0.000 0.243 256 V C 2.298 178.375 176.094 -0.028 0.000 1.039 256 V CA 1.896 64.180 62.300 -0.026 0.000 1.016 256 V CB -0.575 31.229 31.823 -0.032 0.000 0.650 256 V HN 0.565 nan 8.190 nan 0.000 0.449 257 S N 0.201 115.876 115.700 -0.042 0.000 2.453 257 S HA 0.077 4.568 4.470 0.034 0.000 0.231 257 S C 1.777 176.340 174.600 -0.062 0.000 1.005 257 S CA 0.929 59.094 58.200 -0.058 0.000 0.949 257 S CB -0.073 63.076 63.200 -0.085 0.000 0.774 257 S HN 1.277 nan 8.310 nan 0.000 0.510 258 G N 0.979 109.749 108.800 -0.050 0.000 2.153 258 G HA2 -0.240 3.741 3.960 0.034 0.000 0.252 258 G HA3 -0.240 3.741 3.960 0.034 0.000 0.252 258 G C -0.049 174.816 174.900 -0.058 0.000 0.994 258 G CA 0.504 45.577 45.100 -0.046 0.000 0.698 258 G HN 0.555 nan 8.290 nan 0.000 0.521 259 L N 0.601 121.778 121.223 -0.077 0.000 2.399 259 L HA 0.395 4.756 4.340 0.034 0.000 0.266 259 L C -1.547 175.282 176.870 -0.068 0.000 1.114 259 L CA -2.128 52.659 54.840 -0.088 0.000 0.804 259 L CB 0.806 42.793 42.059 -0.120 0.000 1.146 259 L HN -0.100 nan 8.230 nan 0.000 0.451 260 P HA 0.090 nan 4.420 nan 0.000 0.269 260 P C -2.167 175.098 177.300 -0.058 0.000 1.209 260 P CA -1.091 61.978 63.100 -0.052 0.000 0.776 260 P CB 0.118 31.791 31.700 -0.046 0.000 0.876 261 P HA -0.211 nan 4.420 nan 0.000 0.216 261 P C 1.292 178.555 177.300 -0.061 0.000 1.150 261 P CA 1.892 64.961 63.100 -0.052 0.000 0.837 261 P CB -0.339 31.336 31.700 -0.041 0.000 0.786 262 A N -0.723 122.062 122.820 -0.058 0.000 1.940 262 A HA -0.179 4.162 4.320 0.034 0.000 0.219 262 A C 2.306 179.837 177.584 -0.087 0.000 1.176 262 A CA 1.888 53.885 52.037 -0.066 0.000 0.631 262 A CB -1.678 17.290 19.000 -0.053 0.000 0.814 262 A HN 0.058 nan 8.150 nan 0.000 0.446 263 V N -0.590 119.271 119.914 -0.089 0.000 2.283 263 V HA -0.198 3.942 4.120 0.034 0.000 0.243 263 V C 2.568 178.589 176.094 -0.122 0.000 1.039 263 V CA 1.823 64.057 62.300 -0.110 0.000 1.016 263 V CB -0.810 30.951 31.823 -0.103 0.000 0.650 263 V HN 0.367 nan 8.190 nan 0.000 0.449 264 V N -0.244 119.607 119.914 -0.104 0.000 2.282 264 V HA -0.287 3.854 4.120 0.034 0.000 0.249 264 V C 2.574 178.603 176.094 -0.109 0.000 1.057 264 V CA 2.084 64.325 62.300 -0.099 0.000 1.032 264 V CB -0.686 31.090 31.823 -0.079 0.000 0.645 264 V HN 0.569 nan 8.190 nan 0.000 0.447 265 E N -0.010 120.126 120.200 -0.105 0.000 2.070 265 E HA -0.307 4.063 4.350 0.034 0.000 0.197 265 E C 2.431 178.927 176.600 -0.173 0.000 1.004 265 E CA 1.837 58.168 56.400 -0.114 0.000 0.805 265 E CB -0.187 29.456 29.700 -0.095 0.000 0.744 265 E HN 0.382 nan 8.360 nan 0.000 0.451 266 R N 0.207 120.577 120.500 -0.216 0.000 2.091 266 R HA -0.128 4.232 4.340 0.034 0.000 0.238 266 R C 2.519 178.471 176.300 -0.581 0.000 1.136 266 R CA 2.187 58.062 56.100 -0.375 0.000 0.959 266 R CB -0.850 29.268 30.300 -0.304 0.000 0.856 266 R HN 0.321 nan 8.270 nan 0.000 0.437 267 T N -1.432 112.935 114.554 -0.312 0.000 2.833 267 T HA -0.098 4.272 4.350 0.034 0.000 0.269 267 T C 1.853 176.472 174.700 -0.135 0.000 1.054 267 T CA 1.415 63.414 62.100 -0.168 0.000 1.135 267 T CB -0.308 68.535 68.868 -0.042 0.000 0.869 267 T HN 0.231 nan 8.240 nan 0.000 0.466 268 L N 0.809 121.946 121.223 -0.144 0.000 2.156 268 L HA 0.158 4.519 4.340 0.034 0.000 0.208 268 L C 3.367 180.180 176.870 -0.095 0.000 1.095 268 L CA 1.011 55.796 54.840 -0.091 0.000 0.770 268 L CB -0.940 41.073 42.059 -0.077 0.000 0.914 268 L HN 0.376 nan 8.230 nan 0.000 0.439 269 A N -0.213 122.500 122.820 -0.178 0.000 2.024 269 A HA -0.218 4.122 4.320 0.034 0.000 0.220 269 A C 1.830 179.391 177.584 -0.040 0.000 1.164 269 A CA 1.451 53.404 52.037 -0.140 0.000 0.643 269 A CB -0.888 17.994 19.000 -0.197 0.000 0.806 269 A HN 0.549 nan 8.150 nan 0.000 0.451 270 H N -1.492 117.592 119.070 0.024 0.000 2.551 270 H HA 0.171 4.752 4.556 0.041 0.000 0.266 270 H C 0.217 175.572 175.328 0.045 0.000 0.977 270 H CA -0.105 55.978 56.048 0.060 0.000 1.163 270 H CB 0.209 30.041 29.762 0.116 0.000 1.381 270 H HN 0.281 nan 8.280 nan 0.000 0.581 271 R N 2.228 122.799 120.500 0.118 0.000 2.393 271 R HA 0.233 4.594 4.340 0.034 0.000 0.315 271 R C -2.463 173.856 176.300 0.032 0.000 0.952 271 R CA -1.998 54.142 56.100 0.066 0.000 0.842 271 R CB 1.332 31.654 30.300 0.036 0.000 1.163 271 R HN 0.112 nan 8.270 nan 0.000 0.450 272 P HA 0.204 nan 4.420 nan 0.000 0.274 272 P C -2.515 174.778 177.300 -0.012 0.000 1.256 272 P CA -1.507 61.597 63.100 0.008 0.000 0.795 272 P CB -0.202 31.504 31.700 0.010 0.000 1.038 273 P HA 0.133 nan 4.420 nan 0.000 0.264 273 P C -0.511 176.751 177.300 -0.063 0.000 1.179 273 P CA 0.648 63.728 63.100 -0.034 0.000 0.763 273 P CB -0.024 31.661 31.700 -0.025 0.000 0.806 274 A N 1.255 124.023 122.820 -0.087 0.000 3.474 274 A HA 0.394 4.734 4.320 0.034 0.000 0.251 274 A C 0.107 177.596 177.584 -0.159 0.000 1.062 274 A CA -0.379 51.564 52.037 -0.156 0.000 0.945 274 A CB -0.335 18.571 19.000 -0.157 0.000 1.296 274 A HN 0.428 nan 8.150 nan 0.000 0.592 275 S N -0.044 115.575 115.700 -0.136 0.000 2.565 275 S HA 0.478 4.968 4.470 0.034 0.000 0.276 275 S C 0.417 174.940 174.600 -0.128 0.000 1.326 275 S CA -0.342 57.798 58.200 -0.099 0.000 1.045 275 S CB 1.578 64.743 63.200 -0.059 0.000 0.918 275 S HN 1.378 nan 8.310 nan 0.000 0.505 276 V N 4.048 123.916 119.914 -0.077 0.000 2.529 276 V HA 0.276 4.416 4.120 0.034 0.000 0.292 276 V C 0.032 176.131 176.094 0.008 0.000 1.028 276 V CA 0.429 62.705 62.300 -0.039 0.000 1.074 276 V CB -0.054 31.731 31.823 -0.063 0.000 0.958 276 V HN 1.073 nan 8.190 nan 0.000 0.481 277 Q N 5.895 125.755 119.800 0.100 0.000 2.687 277 Q HA 0.656 5.016 4.340 0.034 0.000 0.305 277 Q C -2.982 173.201 176.000 0.305 0.000 1.006 277 Q CA -2.317 53.596 55.803 0.183 0.000 0.763 277 Q CB 1.460 30.317 28.738 0.198 0.000 1.506 277 Q HN 0.371 nan 8.270 nan 0.000 0.459 278 P HA 0.118 nan 4.420 nan 0.000 0.272 278 P C -0.887 176.591 177.300 0.298 0.000 1.223 278 P CA -0.325 62.925 63.100 0.249 0.000 0.784 278 P CB 0.352 32.135 31.700 0.138 0.000 0.923 279 L N 1.655 123.036 121.223 0.264 0.000 2.455 279 L HA 0.156 4.516 4.340 0.034 0.000 0.272 279 L C 1.090 177.958 176.870 -0.003 0.000 1.174 279 L CA 0.850 55.781 54.840 0.152 0.000 0.869 279 L CB -0.216 41.932 42.059 0.148 0.000 1.130 279 L HN 0.421 nan 8.230 nan 0.000 0.474 280 S N 2.014 117.621 115.700 -0.154 0.000 2.713 280 S HA 0.655 5.145 4.470 0.034 0.000 0.283 280 S C 1.159 175.663 174.600 -0.160 0.000 1.161 280 S CA -0.280 57.830 58.200 -0.151 0.000 0.999 280 S CB 1.443 64.513 63.200 -0.216 0.000 1.039 280 S HN 0.667 nan 8.310 nan 0.000 0.548 281 A N 0.763 123.513 122.820 -0.117 0.000 1.908 281 A HA -0.125 4.215 4.320 0.034 0.000 0.218 281 A C 2.264 179.773 177.584 -0.126 0.000 1.181 281 A CA 1.480 53.453 52.037 -0.106 0.000 0.627 281 A CB -0.999 17.956 19.000 -0.076 0.000 0.818 281 A HN 0.774 nan 8.150 nan 0.000 0.445 282 Q N -0.435 119.280 119.800 -0.142 0.000 2.119 282 Q HA -0.063 4.297 4.340 0.034 0.000 0.201 282 Q C 2.334 178.225 176.000 -0.182 0.000 0.972 282 Q CA 1.405 57.126 55.803 -0.138 0.000 0.847 282 Q CB -0.852 27.813 28.738 -0.122 0.000 0.903 282 Q HN 0.487 nan 8.270 nan 0.000 0.433 283 V N 1.155 120.890 119.914 -0.299 0.000 2.295 283 V HA -0.246 3.894 4.120 0.034 0.000 0.246 283 V C 2.307 178.293 176.094 -0.180 0.000 1.049 283 V CA 1.432 63.517 62.300 -0.359 0.000 1.024 283 V CB -0.532 30.806 31.823 -0.808 0.000 0.648 283 V HN 0.244 nan 8.190 nan 0.000 0.447 284 I N -0.387 120.071 120.570 -0.187 0.000 2.127 284 I HA -0.292 3.898 4.170 0.034 0.000 0.241 284 I C 2.549 178.577 176.117 -0.148 0.000 1.075 284 I CA 1.778 62.963 61.300 -0.193 0.000 1.334 284 I CB -0.496 37.395 38.000 -0.182 0.000 1.040 284 I HN 0.241 nan 8.210 nan 0.000 0.405 285 K N 0.852 121.183 120.400 -0.114 0.000 2.074 285 K HA -0.212 4.128 4.320 0.034 0.000 0.209 285 K C 2.274 178.841 176.600 -0.054 0.000 1.048 285 K CA 1.696 57.936 56.287 -0.078 0.000 0.926 285 K CB -0.382 32.079 32.500 -0.065 0.000 0.713 285 K HN 0.362 nan 8.250 nan 0.000 0.444 286 A N 1.178 123.967 122.820 -0.051 0.000 1.908 286 A HA -0.266 4.074 4.320 0.034 0.000 0.218 286 A C 2.174 179.770 177.584 0.021 0.000 1.181 286 A CA 1.789 53.822 52.037 -0.007 0.000 0.627 286 A CB -0.519 18.478 19.000 -0.004 0.000 0.818 286 A HN 0.270 nan 8.150 nan 0.000 0.445 287 Q N -0.755 119.046 119.800 0.002 0.000 2.046 287 Q HA -0.209 4.151 4.340 0.034 0.000 0.200 287 Q C 2.187 178.159 176.000 -0.046 0.000 0.975 287 Q CA 2.235 58.034 55.803 -0.006 0.000 0.836 287 Q CB -0.382 28.275 28.738 -0.135 0.000 0.896 287 Q HN 0.615 nan 8.270 nan 0.000 0.428 288 Q N -0.335 119.418 119.800 -0.078 0.000 2.124 288 Q HA -0.036 4.324 4.340 0.034 0.000 0.202 288 Q C 1.808 177.808 176.000 -0.000 0.000 0.977 288 Q CA 1.901 57.673 55.803 -0.053 0.000 0.850 288 Q CB -0.694 28.005 28.738 -0.065 0.000 0.901 288 Q HN 0.459 nan 8.270 nan 0.000 0.429 289 A N -0.905 121.923 122.820 0.013 0.000 1.933 289 A HA -0.183 4.157 4.320 0.034 0.000 0.218 289 A C 2.262 179.901 177.584 0.090 0.000 1.175 289 A CA 1.987 54.050 52.037 0.044 0.000 0.628 289 A CB -0.950 18.072 19.000 0.036 0.000 0.814 289 A HN 0.481 nan 8.150 nan 0.000 0.444 290 T N 0.192 114.806 114.554 0.100 0.000 2.777 290 T HA 0.030 4.400 4.350 0.034 0.000 0.266 290 T C 2.246 177.065 174.700 0.198 0.000 1.040 290 T CA 1.425 63.628 62.100 0.171 0.000 1.141 290 T CB -0.434 68.505 68.868 0.118 0.000 0.868 290 T HN 0.597 nan 8.240 nan 0.000 0.444 291 A N 2.194 125.069 122.820 0.091 0.000 1.883 291 A HA -0.182 4.159 4.320 0.034 0.000 0.217 291 A C 2.097 179.777 177.584 0.159 0.000 1.186 291 A CA 1.863 53.947 52.037 0.079 0.000 0.624 291 A CB -0.705 18.297 19.000 0.004 0.000 0.822 291 A HN 0.356 nan 8.150 nan 0.000 0.444 292 D N -0.455 120.022 120.400 0.128 0.000 2.117 292 D HA -0.130 4.530 4.640 0.034 0.000 0.197 292 D C 1.836 178.248 176.300 0.187 0.000 0.987 292 D CA 1.294 55.385 54.000 0.151 0.000 0.829 292 D CB -0.498 40.359 40.800 0.094 0.000 0.961 292 D HN 0.349 nan 8.370 nan 0.000 0.460 293 L N -0.185 121.146 121.223 0.179 0.000 2.017 293 L HA -0.132 4.229 4.340 0.034 0.000 0.208 293 L C 2.027 178.967 176.870 0.117 0.000 1.073 293 L CA 1.549 56.472 54.840 0.138 0.000 0.745 293 L CB -0.706 41.443 42.059 0.150 0.000 0.894 293 L HN -0.116 nan 8.230 nan 0.000 0.432 294 F N -1.786 118.196 119.950 0.052 0.000 2.186 294 F HA -0.189 4.344 4.527 0.010 0.000 0.299 294 F C 2.369 178.195 175.800 0.042 0.000 1.090 294 F CA 1.697 59.716 58.000 0.031 0.000 1.307 294 F CB -0.788 38.222 39.000 0.017 0.000 1.019 294 F HN 0.184 nan 8.300 nan 0.000 0.489 295 Y N 0.540 120.908 120.300 0.114 0.000 2.163 295 Y HA -0.143 4.425 4.550 0.030 0.000 0.288 295 Y C 2.389 178.293 175.900 0.008 0.000 1.136 295 Y CA 1.170 59.290 58.100 0.033 0.000 1.147 295 Y CB -0.926 37.547 38.460 0.021 0.000 0.987 295 Y HN -0.024 nan 8.280 nan 0.000 0.509 296 A N 0.011 122.785 122.820 -0.077 0.000 1.917 296 A HA -0.233 4.108 4.320 0.034 0.000 0.219 296 A C 1.911 179.394 177.584 -0.167 0.000 1.182 296 A CA 1.915 53.869 52.037 -0.138 0.000 0.633 296 A CB -0.616 18.370 19.000 -0.024 0.000 0.819 296 A HN 0.551 nan 8.150 nan 0.000 0.448 297 Q N -0.966 118.751 119.800 -0.137 0.000 2.415 297 Q HA 0.075 4.435 4.340 0.034 0.000 0.206 297 Q C -0.191 175.734 176.000 -0.124 0.000 0.946 297 Q CA 0.255 55.975 55.803 -0.138 0.000 0.951 297 Q CB -0.078 28.548 28.738 -0.187 0.000 1.026 297 Q HN 0.706 nan 8.270 nan 0.000 0.510 298 R N -0.204 120.199 120.500 -0.162 0.000 3.641 298 R HA -0.187 4.174 4.340 0.034 0.000 0.286 298 R C 0.516 176.802 176.300 -0.025 0.000 1.153 298 R CA 0.420 56.445 56.100 -0.124 0.000 0.775 298 R CB -2.302 27.941 30.300 -0.095 0.000 1.215 298 R HN 0.245 nan 8.270 nan 0.000 0.474 299 L N -0.380 120.840 121.223 -0.006 0.000 2.554 299 L HA 0.268 4.628 4.340 0.034 0.000 0.225 299 L C 0.774 177.672 176.870 0.048 0.000 1.104 299 L CA 0.401 55.295 54.840 0.090 0.000 0.866 299 L CB 0.248 42.332 42.059 0.042 0.000 1.047 299 L HN 0.105 nan 8.230 nan 0.000 0.468 300 L N 0.011 121.243 121.223 0.015 0.000 2.401 300 L HA 0.354 4.715 4.340 0.034 0.000 0.266 300 L C -1.602 175.320 176.870 0.086 0.000 0.991 300 L CA -1.499 53.292 54.840 -0.081 0.000 0.818 300 L CB 2.676 44.691 42.059 -0.073 0.000 1.321 300 L HN -0.278 nan 8.230 nan 0.000 0.413 301 P HA -0.025 nan 4.420 nan 0.000 0.215 301 P C -0.191 177.231 177.300 0.203 0.000 1.157 301 P CA 1.011 64.176 63.100 0.108 0.000 0.856 301 P CB 0.322 32.044 31.700 0.036 0.000 0.786 302 K N 0.547 120.974 120.400 0.046 0.000 2.098 302 K HA 0.261 4.601 4.320 0.034 0.000 0.258 302 K C 0.573 176.918 176.600 -0.425 0.000 0.973 302 K CA -0.924 55.280 56.287 -0.137 0.000 0.898 302 K CB 0.845 33.269 32.500 -0.127 0.000 1.057 302 K HN -0.051 nan 8.250 nan 0.000 0.447 303 R N 1.302 121.229 120.500 -0.955 0.000 2.537 303 R HA 0.147 4.508 4.340 0.034 0.000 0.280 303 R C -0.705 175.407 176.300 -0.313 0.000 1.058 303 R CA -0.133 55.511 56.100 -0.761 0.000 1.057 303 R CB 0.468 30.325 30.300 -0.739 0.000 0.973 303 R HN 0.241 nan 8.270 nan 0.000 0.438 304 V N 6.385 126.190 119.914 -0.182 0.000 2.483 304 V HA 0.316 4.456 4.120 0.034 0.000 0.295 304 V C 0.076 176.118 176.094 -0.088 0.000 1.035 304 V CA -0.708 61.526 62.300 -0.109 0.000 0.896 304 V CB 1.781 33.563 31.823 -0.069 0.000 0.986 304 V HN 0.625 nan 8.190 nan 0.000 0.447 305 L N 5.017 126.198 121.223 -0.071 0.000 2.262 305 L HA 0.360 4.721 4.340 0.034 0.000 0.288 305 L C 0.886 177.726 176.870 -0.049 0.000 1.035 305 L CA -0.193 54.610 54.840 -0.061 0.000 0.820 305 L CB 1.494 43.520 42.059 -0.056 0.000 1.204 305 L HN 0.473 nan 8.230 nan 0.000 0.424 306 V N 2.529 122.394 119.914 -0.083 0.000 2.346 306 V HA -0.190 3.950 4.120 0.034 0.000 0.244 306 V C 2.341 178.350 176.094 -0.142 0.000 1.037 306 V CA 1.918 64.133 62.300 -0.141 0.000 1.029 306 V CB -0.313 31.346 31.823 -0.274 0.000 0.663 306 V HN 0.958 nan 8.190 nan 0.000 0.454 307 A N 0.890 123.638 122.820 -0.120 0.000 1.917 307 A HA -0.147 4.193 4.320 0.034 0.000 0.219 307 A C 0.435 177.997 177.584 -0.038 0.000 1.182 307 A CA 2.178 54.159 52.037 -0.094 0.000 0.633 307 A CB -1.896 17.060 19.000 -0.074 0.000 0.819 307 A HN 0.572 nan 8.150 nan 0.000 0.448 308 P HA 0.095 nan 4.420 nan 0.000 0.237 308 P C 0.949 178.282 177.300 0.056 0.000 1.178 308 P CA 1.233 64.342 63.100 0.015 0.000 0.766 308 P CB 0.029 31.734 31.700 0.008 0.000 0.876 309 A N -0.834 122.035 122.820 0.082 0.000 2.275 309 A HA 0.155 4.496 4.320 0.034 0.000 0.212 309 A C 0.782 178.519 177.584 0.256 0.000 1.201 309 A CA 0.140 52.282 52.037 0.174 0.000 0.843 309 A CB -0.384 18.766 19.000 0.250 0.000 0.873 309 A HN 0.008 nan 8.150 nan 0.000 0.492 310 V N -0.139 119.862 119.914 0.145 0.000 2.498 310 V HA 0.270 4.411 4.120 0.034 0.000 0.279 310 V C -0.336 175.916 176.094 0.263 0.000 1.048 310 V CA -0.293 62.104 62.300 0.161 0.000 0.967 310 V CB 0.693 32.518 31.823 0.003 0.000 0.988 310 V HN 0.585 nan 8.190 nan 0.000 0.473 311 W N 6.675 128.034 121.300 0.097 0.000 2.761 311 W HA 0.722 5.400 4.660 0.031 0.000 0.340 311 W C -0.424 176.147 176.519 0.087 0.000 1.072 311 W CA -0.847 56.547 57.345 0.082 0.000 1.215 311 W CB 1.210 30.725 29.460 0.092 0.000 1.420 311 W HN 0.451 nan 8.180 nan 0.000 0.519 312 R N 4.221 124.346 120.500 -0.626 0.000 2.673 312 R HA 0.696 5.056 4.340 0.034 0.000 0.281 312 R C -0.424 175.024 176.300 -1.421 0.000 0.991 312 R CA -0.576 55.061 56.100 -0.771 0.000 0.896 312 R CB 1.822 31.920 30.300 -0.336 0.000 1.201 312 R HN 0.682 nan 8.270 nan 0.000 0.457 313 A N 0.000 122.040 122.820 -1.299 0.000 2.254 313 A HA 0.000 4.340 4.320 0.034 0.000 0.244 313 A CA 0.000 51.572 52.037 -0.776 0.000 0.836 313 A CB 0.000 18.839 19.000 -0.268 0.000 0.831 313 A HN 0.000 nan 8.150 nan 0.000 0.486