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 2fyn_1_C DATA FIRST_RESID 9 DATA SEQUENCE GTRRDFLYYA TAGAGAVATG AAVWPLINQM NPSADVQALA SIFVDVSSVE DATA SEQUENCE PGVQLTVKFL GKPIFIRRRT EADIELGRSV QLGQLVDTNA RNANIDAGAE DATA SEQUENCE ATDQNRTLDE AGEWLVMWGV CTHLGcSPIG GVSGDFGGWF CPcHGSHYDS DATA SEQUENCE AGRIRKGPAP ENLPIPLAKF IDETTIQLG 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 9 G C 0.000 174.868 174.900 -0.054 0.000 0.946 9 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 10 T N -1.923 112.592 114.554 -0.065 0.000 2.843 10 T HA 0.591 4.941 4.350 0.000 0.000 0.302 10 T C 0.401 175.073 174.700 -0.046 0.000 1.232 10 T CA -0.467 61.596 62.100 -0.063 0.000 1.009 10 T CB 2.292 71.106 68.868 -0.090 0.000 1.254 10 T HN 0.931 nan 8.240 nan 0.000 0.504 11 R N 0.429 120.918 120.500 -0.017 0.000 2.362 11 R HA 0.259 4.599 4.340 0.000 0.000 0.227 11 R C 1.252 177.620 176.300 0.114 0.000 0.905 11 R CA -0.083 56.045 56.100 0.047 0.000 1.067 11 R CB -0.517 29.793 30.300 0.016 0.000 1.078 11 R HN 0.578 nan 8.270 nan 0.000 0.516 12 R N 1.163 121.656 120.500 -0.011 0.000 2.140 12 R HA 0.010 4.350 4.340 0.000 0.000 0.213 12 R C 1.215 177.350 176.300 -0.275 0.000 1.059 12 R CA 1.528 57.568 56.100 -0.100 0.000 1.000 12 R CB -0.493 29.700 30.300 -0.179 0.000 0.910 12 R HN 0.210 nan 8.270 nan 0.000 0.455 13 D N -0.948 119.304 120.400 -0.247 0.000 2.312 13 D HA -0.124 4.516 4.640 0.000 0.000 0.211 13 D C 1.374 177.494 176.300 -0.298 0.000 0.964 13 D CA 0.647 54.442 54.000 -0.342 0.000 0.877 13 D CB -0.034 40.584 40.800 -0.303 0.000 0.924 13 D HN 0.291 nan 8.370 nan 0.000 0.515 14 F N 0.247 120.071 119.950 -0.210 0.000 2.149 14 F HA 0.009 4.536 4.527 0.000 0.000 0.294 14 F C 1.790 177.621 175.800 0.053 0.000 1.095 14 F CA 0.622 58.557 58.000 -0.108 0.000 1.276 14 F CB -0.608 38.358 39.000 -0.056 0.000 1.023 14 F HN 0.000 nan 8.300 nan 0.000 0.480 15 L N 0.046 121.164 121.223 -0.176 0.000 2.012 15 L HA -0.242 4.098 4.340 0.000 0.000 0.210 15 L C 1.850 178.752 176.870 0.053 0.000 1.073 15 L CA 1.835 56.589 54.840 -0.144 0.000 0.748 15 L CB -1.383 40.776 42.059 0.167 0.000 0.891 15 L HN 0.230 nan 8.230 nan 0.000 0.431 16 Y N -1.771 118.488 120.300 -0.069 0.000 2.688 16 Y HA -0.140 4.410 4.550 0.000 0.000 0.311 16 Y C 1.311 177.366 175.900 0.259 0.000 1.185 16 Y CA 0.357 58.493 58.100 0.061 0.000 1.336 16 Y CB -0.671 37.844 38.460 0.092 0.000 1.015 16 Y HN 0.283 nan 8.280 nan 0.000 0.522 17 Y N -2.426 117.829 120.300 -0.076 0.000 2.701 17 Y HA 0.346 4.896 4.550 0.000 0.000 0.275 17 Y C 2.228 178.003 175.900 -0.207 0.000 1.133 17 Y CA -0.095 57.936 58.100 -0.115 0.000 1.241 17 Y CB -0.798 37.607 38.460 -0.092 0.000 1.389 17 Y HN -0.076 nan 8.280 nan 0.000 0.486 18 A N -0.624 122.040 122.820 -0.259 0.000 2.019 18 A HA -0.129 4.191 4.320 0.000 0.000 0.219 18 A C 2.142 179.638 177.584 -0.145 0.000 1.164 18 A CA 2.334 54.185 52.037 -0.310 0.000 0.644 18 A CB -0.892 17.714 19.000 -0.656 0.000 0.805 18 A HN 0.385 nan 8.150 nan 0.000 0.449 19 T N -0.386 114.100 114.554 -0.114 0.000 2.739 19 T HA 0.163 4.513 4.350 0.000 0.000 0.249 19 T C 2.305 176.963 174.700 -0.070 0.000 1.050 19 T CA 1.294 63.346 62.100 -0.081 0.000 1.165 19 T CB -0.506 68.308 68.868 -0.090 0.000 0.872 19 T HN 0.553 nan 8.240 nan 0.000 0.411 20 A N 1.100 123.880 122.820 -0.067 0.000 2.042 20 A HA -0.019 4.301 4.320 0.000 0.000 0.222 20 A C 2.367 179.897 177.584 -0.090 0.000 1.167 20 A CA 2.152 54.138 52.037 -0.084 0.000 0.649 20 A CB -1.296 17.639 19.000 -0.109 0.000 0.809 20 A HN 0.549 nan 8.150 nan 0.000 0.457 21 G N -0.778 107.972 108.800 -0.084 0.000 2.424 21 G HA2 0.081 4.041 3.960 0.000 0.000 0.214 21 G HA3 0.081 4.041 3.960 0.000 0.000 0.214 21 G C 1.767 176.638 174.900 -0.047 0.000 1.202 21 G CA 1.150 46.208 45.100 -0.070 0.000 0.793 21 G HN 0.830 nan 8.290 nan 0.000 0.534 22 A N 0.822 123.617 122.820 -0.042 0.000 2.024 22 A HA 0.130 4.451 4.320 0.000 0.000 0.220 22 A C 2.589 180.156 177.584 -0.028 0.000 1.164 22 A CA 2.123 54.144 52.037 -0.028 0.000 0.643 22 A CB -0.934 18.051 19.000 -0.025 0.000 0.806 22 A HN 0.526 nan 8.150 nan 0.000 0.451 23 G N -0.424 108.353 108.800 -0.038 0.000 2.434 23 G HA2 0.012 3.972 3.960 0.000 0.000 0.214 23 G HA3 0.012 3.972 3.960 0.000 0.000 0.214 23 G C 1.778 176.660 174.900 -0.030 0.000 1.202 23 G CA 1.345 46.424 45.100 -0.036 0.000 0.788 23 G HN 0.850 nan 8.290 nan 0.000 0.539 24 A N -0.053 122.744 122.820 -0.038 0.000 2.032 24 A HA 0.038 4.358 4.320 0.000 0.000 0.221 24 A C 2.550 180.122 177.584 -0.020 0.000 1.165 24 A CA 1.956 53.974 52.037 -0.033 0.000 0.645 24 A CB -0.470 18.502 19.000 -0.046 0.000 0.807 24 A HN 0.307 nan 8.150 nan 0.000 0.453 25 V N -0.528 119.375 119.914 -0.019 0.000 2.379 25 V HA -0.176 3.944 4.120 0.000 0.000 0.245 25 V C 2.984 179.079 176.094 0.001 0.000 1.044 25 V CA 1.729 64.023 62.300 -0.010 0.000 1.036 25 V CB -1.304 30.514 31.823 -0.009 0.000 0.664 25 V HN 0.609 nan 8.190 nan 0.000 0.453 26 A N 0.261 123.081 122.820 -0.001 0.000 1.845 26 A HA -0.227 4.093 4.320 0.000 0.000 0.215 26 A C 2.409 180.001 177.584 0.013 0.000 1.195 26 A CA 2.546 54.587 52.037 0.007 0.000 0.616 26 A CB -1.291 17.709 19.000 -0.000 0.000 0.832 26 A HN 0.460 nan 8.150 nan 0.000 0.443 27 T N -0.037 114.521 114.554 0.005 0.000 2.714 27 T HA -0.171 4.179 4.350 0.000 0.000 0.268 27 T C 1.830 176.546 174.700 0.028 0.000 1.036 27 T CA 1.761 63.867 62.100 0.010 0.000 1.148 27 T CB -0.681 68.187 68.868 -0.001 0.000 0.856 27 T HN 0.636 nan 8.240 nan 0.000 0.462 28 G N 0.891 109.708 108.800 0.029 0.000 2.394 28 G HA2 0.037 3.997 3.960 0.000 0.000 0.214 28 G HA3 0.037 3.997 3.960 0.000 0.000 0.214 28 G C 1.842 176.799 174.900 0.095 0.000 1.176 28 G CA 0.723 45.853 45.100 0.051 0.000 0.786 28 G HN 0.591 nan 8.290 nan 0.000 0.533 29 A N 0.852 123.718 122.820 0.076 0.000 2.076 29 A HA 0.252 4.572 4.320 0.000 0.000 0.220 29 A C 2.641 180.293 177.584 0.112 0.000 1.160 29 A CA 2.237 54.338 52.037 0.107 0.000 0.653 29 A CB -0.466 18.573 19.000 0.065 0.000 0.801 29 A HN 0.687 nan 8.150 nan 0.000 0.455 30 A N -0.777 122.087 122.820 0.074 0.000 1.850 30 A HA 0.132 4.452 4.320 0.000 0.000 0.212 30 A C 2.135 179.750 177.584 0.052 0.000 1.208 30 A CA 1.307 53.372 52.037 0.046 0.000 0.609 30 A CB -0.957 18.058 19.000 0.024 0.000 0.860 30 A HN 0.356 nan 8.150 nan 0.000 0.448 31 V N -0.520 119.435 119.914 0.069 0.000 2.380 31 V HA -0.310 3.810 4.120 0.000 0.000 0.251 31 V C 2.217 178.384 176.094 0.123 0.000 1.063 31 V CA 1.965 64.309 62.300 0.074 0.000 1.055 31 V CB -1.055 30.816 31.823 0.080 0.000 0.657 31 V HN 0.794 nan 8.190 nan 0.000 0.455 32 W N 2.550 123.841 121.300 -0.015 0.000 2.315 32 W HA -0.183 4.477 4.660 0.000 0.000 0.323 32 W C -0.291 176.219 176.519 -0.014 0.000 1.233 32 W CA 2.193 59.529 57.345 -0.014 0.000 1.267 32 W CB -1.519 27.933 29.460 -0.013 0.000 1.160 32 W HN 0.308 nan 8.180 nan 0.000 0.474 33 P HA -0.200 nan 4.420 nan 0.000 0.219 33 P C 1.829 178.912 177.300 -0.361 0.000 1.146 33 P CA 1.599 64.405 63.100 -0.489 0.000 0.808 33 P CB -0.463 31.113 31.700 -0.206 0.000 0.779 34 L N -1.402 119.687 121.223 -0.224 0.000 2.376 34 L HA -0.036 4.304 4.340 0.000 0.000 0.219 34 L C 2.533 179.290 176.870 -0.189 0.000 1.133 34 L CA 0.884 55.630 54.840 -0.157 0.000 0.816 34 L CB -0.373 41.637 42.059 -0.082 0.000 0.933 34 L HN -0.081 nan 8.230 nan 0.000 0.449 35 I N -1.152 119.251 120.570 -0.279 0.000 2.685 35 I HA -0.123 4.047 4.170 0.000 0.000 0.251 35 I C 2.038 177.891 176.117 -0.439 0.000 1.102 35 I CA 0.484 61.627 61.300 -0.262 0.000 1.442 35 I CB -0.179 37.745 38.000 -0.127 0.000 1.194 35 I HN 0.164 nan 8.210 nan 0.000 0.448 36 N N 1.357 119.515 118.700 -0.903 0.000 2.348 36 N HA -0.261 4.479 4.740 0.000 0.000 0.185 36 N C 1.947 177.203 175.510 -0.424 0.000 1.019 36 N CA 1.136 53.660 53.050 -0.877 0.000 0.880 36 N CB -0.124 37.494 38.487 -1.448 0.000 0.965 36 N HN 0.326 nan 8.380 nan 0.000 0.437 37 Q N 0.070 119.664 119.800 -0.345 0.000 2.291 37 Q HA -0.145 4.196 4.340 0.000 0.000 0.206 37 Q C 1.413 177.322 176.000 -0.152 0.000 0.976 37 Q CA 1.174 56.852 55.803 -0.208 0.000 0.875 37 Q CB -0.263 28.375 28.738 -0.167 0.000 0.927 37 Q HN 0.542 nan 8.270 nan 0.000 0.450 38 M N 0.689 120.196 119.600 -0.155 0.000 2.562 38 M HA 0.026 4.506 4.480 0.000 0.000 0.257 38 M C 0.308 176.555 176.300 -0.088 0.000 1.099 38 M CA 0.014 55.251 55.300 -0.105 0.000 1.099 38 M CB 0.123 32.669 32.600 -0.091 0.000 1.427 38 M HN 0.070 nan 8.290 nan 0.000 0.489 39 N N 1.020 119.661 118.700 -0.099 0.000 2.399 39 N HA 0.170 4.910 4.740 0.000 0.000 0.250 39 N C -2.346 173.130 175.510 -0.056 0.000 1.272 39 N CA -0.825 52.187 53.050 -0.064 0.000 0.928 39 N CB -0.285 38.174 38.487 -0.046 0.000 1.158 39 N HN -0.105 nan 8.380 nan 0.000 0.463 40 P HA -0.028 nan 4.420 nan 0.000 0.261 40 P C -0.413 176.865 177.300 -0.037 0.000 1.173 40 P CA 0.403 63.479 63.100 -0.040 0.000 0.760 40 P CB 0.282 31.960 31.700 -0.036 0.000 0.783 41 S N 2.465 118.143 115.700 -0.038 0.000 2.579 41 S HA 0.213 4.683 4.470 0.000 0.000 0.275 41 S C 1.627 176.212 174.600 -0.025 0.000 1.345 41 S CA -0.164 58.016 58.200 -0.034 0.000 1.031 41 S CB 0.745 63.925 63.200 -0.033 0.000 0.892 41 S HN 0.559 nan 8.310 nan 0.000 0.529 42 A N 1.556 124.364 122.820 -0.020 0.000 2.139 42 A HA -0.199 4.121 4.320 0.000 0.000 0.221 42 A C 1.838 179.415 177.584 -0.012 0.000 1.159 42 A CA 1.718 53.747 52.037 -0.013 0.000 0.662 42 A CB -0.691 18.303 19.000 -0.010 0.000 0.796 42 A HN 0.948 nan 8.150 nan 0.000 0.463 43 D N -1.196 119.195 120.400 -0.015 0.000 2.301 43 D HA -0.008 4.632 4.640 0.000 0.000 0.206 43 D C 1.698 177.987 176.300 -0.017 0.000 0.979 43 D CA 0.887 54.879 54.000 -0.013 0.000 0.874 43 D CB -0.546 40.247 40.800 -0.012 0.000 0.968 43 D HN 0.217 nan 8.370 nan 0.000 0.510 44 V N 1.013 120.912 119.914 -0.024 0.000 2.453 44 V HA -0.176 3.944 4.120 0.000 0.000 0.247 44 V C 2.380 178.453 176.094 -0.035 0.000 1.048 44 V CA 1.520 63.799 62.300 -0.034 0.000 1.049 44 V CB -0.353 31.446 31.823 -0.040 0.000 0.672 44 V HN 0.177 nan 8.190 nan 0.000 0.457 45 Q N -0.563 119.221 119.800 -0.026 0.000 2.472 45 Q HA 0.070 4.410 4.340 0.000 0.000 0.208 45 Q C 1.958 177.951 176.000 -0.011 0.000 0.958 45 Q CA 0.978 56.769 55.803 -0.020 0.000 0.932 45 Q CB -0.060 28.670 28.738 -0.013 0.000 1.007 45 Q HN 0.639 nan 8.270 nan 0.000 0.508 46 A N 0.403 123.219 122.820 -0.008 0.000 2.275 46 A HA 0.148 4.468 4.320 0.000 0.000 0.212 46 A C 0.744 178.332 177.584 0.008 0.000 1.201 46 A CA -0.180 51.858 52.037 0.003 0.000 0.843 46 A CB 0.023 19.026 19.000 0.004 0.000 0.873 46 A HN 0.195 nan 8.150 nan 0.000 0.492 47 L N -0.206 121.013 121.223 -0.006 0.000 2.490 47 L HA 0.257 4.597 4.340 0.000 0.000 0.274 47 L C 1.216 178.099 176.870 0.020 0.000 1.201 47 L CA -0.052 54.785 54.840 -0.005 0.000 0.869 47 L CB 0.895 42.920 42.059 -0.056 0.000 1.123 47 L HN 0.344 nan 8.230 nan 0.000 0.484 48 A N 2.689 125.551 122.820 0.069 0.000 2.392 48 A HA 0.542 4.862 4.320 0.000 0.000 0.217 48 A C 0.390 178.103 177.584 0.215 0.000 2.391 48 A CA 0.655 52.759 52.037 0.112 0.000 1.329 48 A CB 0.514 19.576 19.000 0.103 0.000 1.199 48 A HN 0.635 nan 8.150 nan 0.000 0.527 49 S N -1.412 114.424 115.700 0.227 0.000 2.685 49 S HA 0.745 5.215 4.470 0.000 0.000 0.282 49 S C -0.848 173.845 174.600 0.155 0.000 1.159 49 S CA 0.022 58.347 58.200 0.209 0.000 0.833 49 S CB 1.181 64.383 63.200 0.002 0.000 1.151 49 S HN 1.466 nan 8.310 nan 0.000 0.485 50 I N -1.857 118.641 120.570 -0.119 0.000 3.195 50 I HA 0.807 4.977 4.170 0.000 0.000 0.313 50 I C -2.054 173.855 176.117 -0.346 0.000 1.237 50 I CA -1.320 59.962 61.300 -0.030 0.000 0.963 50 I CB 1.934 39.950 38.000 0.028 0.000 1.278 50 I HN 0.560 nan 8.210 nan 0.000 0.460 51 F N 2.468 122.337 119.950 -0.135 0.000 2.529 51 F HA 0.711 5.238 4.527 0.000 0.000 0.320 51 F C -0.282 175.422 175.800 -0.160 0.000 1.118 51 F CA -0.878 57.025 58.000 -0.162 0.000 0.915 51 F CB 2.150 41.078 39.000 -0.120 0.000 1.161 51 F HN 0.145 nan 8.300 nan 0.000 0.445 52 V N 1.531 121.386 119.914 -0.098 0.000 2.513 52 V HA 0.329 4.449 4.120 0.000 0.000 0.299 52 V C -0.897 175.124 176.094 -0.122 0.000 1.035 52 V CA -0.840 61.393 62.300 -0.111 0.000 0.889 52 V CB 2.011 33.728 31.823 -0.177 0.000 0.988 52 V HN 0.654 nan 8.190 nan 0.000 0.440 53 D N 2.636 122.994 120.400 -0.071 0.000 2.313 53 D HA 0.379 5.019 4.640 0.000 0.000 0.239 53 D C 0.426 176.690 176.300 -0.061 0.000 1.142 53 D CA -0.317 53.644 54.000 -0.064 0.000 0.847 53 D CB 1.630 42.416 40.800 -0.024 0.000 1.082 53 D HN 0.427 nan 8.370 nan 0.000 0.480 54 V N 1.404 121.261 119.914 -0.096 0.000 3.099 54 V HA 0.220 4.340 4.120 0.000 0.000 0.356 54 V C 1.305 177.445 176.094 0.077 0.000 1.364 54 V CA -0.213 62.072 62.300 -0.026 0.000 1.229 54 V CB -0.037 31.665 31.823 -0.201 0.000 1.227 54 V HN 0.384 nan 8.190 nan 0.000 0.493 55 S N 2.590 118.321 115.700 0.052 0.000 2.353 55 S HA -0.195 4.275 4.470 0.000 0.000 0.222 55 S C 2.154 176.815 174.600 0.102 0.000 1.035 55 S CA 2.188 60.432 58.200 0.074 0.000 1.025 55 S CB -0.392 62.833 63.200 0.043 0.000 0.902 55 S HN 0.976 nan 8.310 nan 0.000 0.440 56 S N 1.268 117.020 115.700 0.086 0.000 2.489 56 S HA 0.046 4.516 4.470 0.000 0.000 0.228 56 S C 0.725 175.388 174.600 0.106 0.000 0.995 56 S CA -0.021 58.228 58.200 0.081 0.000 0.934 56 S CB -0.761 62.473 63.200 0.057 0.000 0.771 56 S HN 0.212 nan 8.310 nan 0.000 0.522 57 V N 3.004 123.015 119.914 0.161 0.000 2.484 57 V HA 0.151 4.271 4.120 0.000 0.000 0.276 57 V C 0.513 176.691 176.094 0.140 0.000 0.976 57 V CA 0.100 62.513 62.300 0.187 0.000 1.141 57 V CB -1.039 30.998 31.823 0.357 0.000 0.975 57 V HN 0.348 nan 8.190 nan 0.000 0.466 58 E N 8.296 128.532 120.200 0.061 0.000 2.349 58 E HA 0.351 4.701 4.350 0.000 0.000 0.262 58 E C -2.287 174.288 176.600 -0.042 0.000 1.088 58 E CA -2.001 54.409 56.400 0.017 0.000 0.899 58 E CB 0.817 30.523 29.700 0.009 0.000 1.044 58 E HN 0.440 nan 8.360 nan 0.000 0.420 59 P HA 0.139 nan 4.420 nan 0.000 0.276 59 P C 0.148 177.393 177.300 -0.092 0.000 1.235 59 P CA 0.417 63.439 63.100 -0.129 0.000 0.772 59 P CB 0.921 32.545 31.700 -0.127 0.000 0.871 60 G N 1.347 110.086 108.800 -0.101 0.000 2.184 60 G HA2 -0.141 3.819 3.960 0.000 0.000 0.206 60 G HA3 -0.141 3.819 3.960 0.000 0.000 0.206 60 G C -0.297 174.561 174.900 -0.069 0.000 0.995 60 G CA -0.315 44.736 45.100 -0.083 0.000 0.651 60 G HN 0.532 nan 8.290 nan 0.000 0.511 61 V N 1.076 120.958 119.914 -0.054 0.000 2.581 61 V HA 0.689 4.809 4.120 0.000 0.000 0.303 61 V C 0.249 176.344 176.094 0.002 0.000 1.041 61 V CA -0.582 61.703 62.300 -0.025 0.000 0.907 61 V CB 1.859 33.682 31.823 0.000 0.000 0.994 61 V HN 0.408 nan 8.190 nan 0.000 0.442 62 Q N 2.812 122.613 119.800 0.002 0.000 2.312 62 Q HA 0.618 4.958 4.340 0.000 0.000 0.263 62 Q C -1.685 174.338 176.000 0.038 0.000 0.995 62 Q CA -0.793 55.028 55.803 0.031 0.000 0.853 62 Q CB 2.010 30.738 28.738 -0.017 0.000 1.300 62 Q HN 0.636 nan 8.270 nan 0.000 0.448 63 L N 3.257 124.530 121.223 0.084 0.000 2.280 63 L HA 0.451 4.791 4.340 0.000 0.000 0.287 63 L C -1.045 175.891 176.870 0.111 0.000 1.023 63 L CA 0.113 55.005 54.840 0.087 0.000 0.819 63 L CB 1.849 43.970 42.059 0.105 0.000 1.212 63 L HN 0.594 nan 8.230 nan 0.000 0.420 64 T N 4.096 118.714 114.554 0.107 0.000 2.767 64 T HA 0.660 5.010 4.350 0.000 0.000 0.284 64 T C -0.481 174.303 174.700 0.139 0.000 0.973 64 T CA -0.418 61.795 62.100 0.188 0.000 0.996 64 T CB 1.469 70.458 68.868 0.201 0.000 0.927 64 T HN 0.285 nan 8.240 nan 0.000 0.456 65 V N 2.974 122.970 119.914 0.135 0.000 2.823 65 V HA 0.504 4.624 4.120 0.000 0.000 0.312 65 V C -0.092 176.071 176.094 0.116 0.000 1.072 65 V CA -1.102 61.251 62.300 0.089 0.000 0.937 65 V CB 2.381 34.221 31.823 0.028 0.000 1.013 65 V HN 0.750 nan 8.190 nan 0.000 0.430 66 K N 2.982 123.455 120.400 0.121 0.000 2.201 66 K HA 0.545 4.865 4.320 0.000 0.000 0.278 66 K C -1.838 174.903 176.600 0.235 0.000 1.027 66 K CA -0.294 56.086 56.287 0.154 0.000 0.909 66 K CB 0.931 33.500 32.500 0.114 0.000 1.062 66 K HN 0.495 nan 8.250 nan 0.000 0.465 67 F N 6.047 126.041 119.950 0.073 0.000 2.607 67 F HA 0.264 4.791 4.527 0.000 0.000 0.322 67 F C -0.217 175.703 175.800 0.199 0.000 1.176 67 F CA -0.861 57.183 58.000 0.074 0.000 0.977 67 F CB 0.610 39.577 39.000 -0.056 0.000 1.242 67 F HN 0.638 nan 8.300 nan 0.000 0.465 68 L N 6.234 127.211 121.223 -0.409 0.000 3.843 68 L HA -0.295 4.045 4.340 0.000 0.000 0.411 68 L C 1.180 177.975 176.870 -0.126 0.000 1.205 68 L CA 1.032 55.665 54.840 -0.345 0.000 0.945 68 L CB -1.902 39.863 42.059 -0.490 0.000 1.929 68 L HN 1.319 nan 8.230 nan 0.000 0.934 69 G N -0.946 107.833 108.800 -0.035 0.000 2.212 69 G HA2 -0.311 3.649 3.960 0.000 0.000 0.266 69 G HA3 -0.311 3.649 3.960 0.000 0.000 0.266 69 G C 0.328 175.238 174.900 0.017 0.000 0.978 69 G CA 1.019 46.113 45.100 -0.010 0.000 0.632 69 G HN 0.478 nan 8.290 nan 0.000 0.537 70 K N 1.148 121.591 120.400 0.071 0.000 2.208 70 K HA 0.579 4.899 4.320 0.000 0.000 0.247 70 K C -2.551 174.188 176.600 0.233 0.000 0.953 70 K CA -2.040 54.305 56.287 0.096 0.000 0.837 70 K CB 2.634 35.124 32.500 -0.016 0.000 1.131 70 K HN 0.040 nan 8.250 nan 0.000 0.431 71 P HA 0.284 nan 4.420 nan 0.000 0.282 71 P C -0.822 176.531 177.300 0.087 0.000 1.249 71 P CA -0.213 62.972 63.100 0.141 0.000 0.806 71 P CB 1.016 32.789 31.700 0.122 0.000 0.984 72 I N 2.859 123.461 120.570 0.052 0.000 2.439 72 I HA 0.264 4.434 4.170 0.000 0.000 0.285 72 I C -0.295 175.882 176.117 0.099 0.000 1.021 72 I CA -0.937 60.296 61.300 -0.112 0.000 1.091 72 I CB 1.019 38.839 38.000 -0.299 0.000 1.242 72 I HN 0.114 nan 8.210 nan 0.000 0.439 73 F N 7.027 126.929 119.950 -0.081 0.000 2.412 73 F HA 0.427 4.954 4.527 0.000 0.000 0.348 73 F C 0.440 176.234 175.800 -0.010 0.000 1.102 73 F CA -0.928 57.056 58.000 -0.028 0.000 1.196 73 F CB 0.593 39.549 39.000 -0.073 0.000 1.144 73 F HN 0.169 nan 8.300 nan 0.000 0.541 74 I N 4.124 124.841 120.570 0.245 0.000 2.517 74 I HA 0.286 4.456 4.170 0.000 0.000 0.280 74 I C -0.300 175.965 176.117 0.248 0.000 1.061 74 I CA -0.436 60.995 61.300 0.218 0.000 1.091 74 I CB 1.497 39.593 38.000 0.160 0.000 1.205 74 I HN 0.492 nan 8.210 nan 0.000 0.459 75 R N 5.682 126.338 120.500 0.261 0.000 2.514 75 R HA 0.525 4.865 4.340 0.000 0.000 0.301 75 R C -0.571 175.755 176.300 0.043 0.000 0.962 75 R CA -0.775 55.431 56.100 0.177 0.000 0.882 75 R CB 1.856 32.310 30.300 0.256 0.000 1.143 75 R HN 0.531 nan 8.270 nan 0.000 0.452 76 R N 4.304 124.715 120.500 -0.149 0.000 2.239 76 R HA 0.252 4.592 4.340 0.000 0.000 0.332 76 R C -0.481 175.641 176.300 -0.296 0.000 0.988 76 R CA -0.497 55.278 56.100 -0.542 0.000 0.859 76 R CB 0.649 30.523 30.300 -0.710 0.000 1.148 76 R HN 0.591 nan 8.270 nan 0.000 0.482 77 R N 1.467 121.820 120.500 -0.245 0.000 2.582 77 R HA 0.108 4.449 4.340 0.000 0.000 0.271 77 R C 0.518 176.734 176.300 -0.140 0.000 1.078 77 R CA -0.024 55.995 56.100 -0.135 0.000 1.127 77 R CB 0.891 31.154 30.300 -0.062 0.000 1.038 77 R HN 0.635 nan 8.270 nan 0.000 0.500 78 T N -1.844 112.653 114.554 -0.095 0.000 2.810 78 T HA 0.107 4.457 4.350 0.000 0.000 0.277 78 T C 1.064 175.728 174.700 -0.061 0.000 0.973 78 T CA -0.749 61.303 62.100 -0.080 0.000 0.949 78 T CB 0.892 69.720 68.868 -0.067 0.000 1.075 78 T HN 0.540 nan 8.240 nan 0.000 0.537 79 E N 0.184 120.355 120.200 -0.048 0.000 2.072 79 E HA -0.030 4.320 4.350 0.000 0.000 0.190 79 E C 2.520 179.105 176.600 -0.024 0.000 0.982 79 E CA 0.920 57.300 56.400 -0.034 0.000 0.803 79 E CB -0.429 29.254 29.700 -0.028 0.000 0.755 79 E HN 0.742 nan 8.360 nan 0.000 0.453 80 A N 1.709 124.513 122.820 -0.027 0.000 1.892 80 A HA -0.292 4.028 4.320 0.000 0.000 0.218 80 A C 1.692 179.269 177.584 -0.012 0.000 1.188 80 A CA 2.226 54.251 52.037 -0.020 0.000 0.631 80 A CB -0.688 18.295 19.000 -0.028 0.000 0.822 80 A HN 0.134 nan 8.150 nan 0.000 0.447 81 D N -0.236 120.151 120.400 -0.021 0.000 2.104 81 D HA -0.135 4.505 4.640 0.000 0.000 0.194 81 D C 1.735 178.047 176.300 0.019 0.000 0.994 81 D CA 1.645 55.641 54.000 -0.007 0.000 0.830 81 D CB -0.228 40.558 40.800 -0.025 0.000 0.959 81 D HN 0.568 nan 8.370 nan 0.000 0.452 82 I N 0.001 120.575 120.570 0.006 0.000 2.617 82 I HA -0.113 4.057 4.170 0.000 0.000 0.256 82 I C 2.130 178.260 176.117 0.023 0.000 1.167 82 I CA 0.453 61.763 61.300 0.018 0.000 1.469 82 I CB -0.161 37.839 38.000 0.000 0.000 1.098 82 I HN -0.052 nan 8.210 nan 0.000 0.436 83 E N 1.937 122.145 120.200 0.015 0.000 2.000 83 E HA -0.225 4.125 4.350 0.000 0.000 0.199 83 E C 2.028 178.646 176.600 0.031 0.000 1.011 83 E CA 1.797 58.207 56.400 0.017 0.000 0.836 83 E CB -0.278 29.427 29.700 0.009 0.000 0.778 83 E HN 0.185 nan 8.360 nan 0.000 0.462 84 L N 0.381 121.627 121.223 0.037 0.000 2.129 84 L HA -0.117 4.223 4.340 0.000 0.000 0.212 84 L C 2.346 179.261 176.870 0.074 0.000 1.087 84 L CA 2.059 56.933 54.840 0.058 0.000 0.757 84 L CB -1.219 40.881 42.059 0.068 0.000 0.896 84 L HN 0.358 nan 8.230 nan 0.000 0.434 85 G N -0.731 108.114 108.800 0.075 0.000 2.418 85 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 85 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 85 G C 1.752 176.693 174.900 0.067 0.000 1.158 85 G CA 0.498 45.649 45.100 0.085 0.000 0.771 85 G HN 0.373 nan 8.290 nan 0.000 0.545 86 R N 0.686 121.217 120.500 0.052 0.000 2.236 86 R HA 0.038 4.378 4.340 0.000 0.000 0.208 86 R C 2.525 178.848 176.300 0.039 0.000 1.036 86 R CA 1.045 57.171 56.100 0.042 0.000 1.001 86 R CB -0.083 30.237 30.300 0.033 0.000 0.896 86 R HN 0.479 nan 8.270 nan 0.000 0.464 87 S N -0.066 115.659 115.700 0.043 0.000 2.593 87 S HA 0.079 4.549 4.470 0.000 0.000 0.217 87 S C 0.685 175.313 174.600 0.046 0.000 0.966 87 S CA -0.386 57.838 58.200 0.040 0.000 0.914 87 S CB 0.224 63.447 63.200 0.038 0.000 0.776 87 S HN -0.095 nan 8.310 nan 0.000 0.523 88 V N 3.180 123.125 119.914 0.053 0.000 2.407 88 V HA 0.280 4.400 4.120 0.000 0.000 0.278 88 V C 0.149 176.266 176.094 0.039 0.000 1.037 88 V CA -0.725 61.607 62.300 0.054 0.000 0.900 88 V CB 1.410 33.272 31.823 0.065 0.000 0.983 88 V HN 0.484 nan 8.190 nan 0.000 0.459 89 Q N 3.338 123.158 119.800 0.034 0.000 2.313 89 Q HA 0.127 4.468 4.340 0.000 0.000 0.266 89 Q C 1.224 177.237 176.000 0.021 0.000 0.989 89 Q CA -0.217 55.601 55.803 0.026 0.000 0.890 89 Q CB 1.490 30.242 28.738 0.023 0.000 1.200 89 Q HN 0.751 nan 8.270 nan 0.000 0.396 90 L N 3.423 124.657 121.223 0.019 0.000 2.021 90 L HA -0.210 4.130 4.340 0.000 0.000 0.215 90 L C 1.750 178.625 176.870 0.009 0.000 1.074 90 L CA 2.358 57.207 54.840 0.015 0.000 0.760 90 L CB -0.547 41.521 42.059 0.015 0.000 0.889 90 L HN 0.886 nan 8.230 nan 0.000 0.433 91 G N -1.742 107.063 108.800 0.009 0.000 2.708 91 G HA2 -0.147 3.813 3.960 0.000 0.000 0.210 91 G HA3 -0.147 3.813 3.960 0.000 0.000 0.210 91 G C 1.206 176.108 174.900 0.003 0.000 1.141 91 G CA 0.377 45.480 45.100 0.005 0.000 0.788 91 G HN 0.603 nan 8.290 nan 0.000 0.531 92 Q N -0.728 119.075 119.800 0.006 0.000 2.356 92 Q HA 0.292 4.633 4.340 0.000 0.000 0.205 92 Q C 0.495 176.485 176.000 -0.017 0.000 0.901 92 Q CA -0.239 55.567 55.803 0.006 0.000 0.938 92 Q CB 0.574 29.326 28.738 0.024 0.000 1.081 92 Q HN 0.380 nan 8.270 nan 0.000 0.517 93 L N 0.401 121.611 121.223 -0.022 0.000 2.395 93 L HA 0.096 4.436 4.340 0.000 0.000 0.269 93 L C 1.330 178.170 176.870 -0.050 0.000 1.133 93 L CA -0.410 54.403 54.840 -0.046 0.000 0.812 93 L CB 0.996 43.041 42.059 -0.024 0.000 1.125 93 L HN -0.082 nan 8.230 nan 0.000 0.452 94 V N -1.024 118.843 119.914 -0.078 0.000 2.649 94 V HA -0.032 4.088 4.120 0.000 0.000 0.248 94 V C 0.427 176.491 176.094 -0.050 0.000 1.054 94 V CA 1.088 63.346 62.300 -0.071 0.000 1.073 94 V CB -0.383 31.378 31.823 -0.104 0.000 0.699 94 V HN 0.785 nan 8.190 nan 0.000 0.463 95 D N -0.873 119.500 120.400 -0.044 0.000 2.375 95 D HA 0.271 4.911 4.640 0.000 0.000 0.247 95 D C 0.487 176.782 176.300 -0.009 0.000 1.061 95 D CA -0.082 53.906 54.000 -0.021 0.000 0.834 95 D CB 2.446 43.239 40.800 -0.012 0.000 1.247 95 D HN -0.060 nan 8.370 nan 0.000 0.489 96 T N 2.054 116.607 114.554 -0.002 0.000 3.037 96 T HA 0.063 4.413 4.350 0.000 0.000 0.252 96 T C 0.875 175.583 174.700 0.012 0.000 1.073 96 T CA -0.183 61.920 62.100 0.005 0.000 1.091 96 T CB -0.028 68.842 68.868 0.003 0.000 0.935 96 T HN 0.335 nan 8.240 nan 0.000 0.488 97 N N 1.224 119.932 118.700 0.014 0.000 2.530 97 N HA 0.225 4.965 4.740 0.000 0.000 0.273 97 N C 1.151 176.678 175.510 0.028 0.000 1.173 97 N CA 0.156 53.217 53.050 0.019 0.000 0.967 97 N CB 1.452 39.950 38.487 0.017 0.000 1.109 97 N HN 0.168 nan 8.380 nan 0.000 0.453 98 A N 3.754 126.592 122.820 0.031 0.000 2.015 98 A HA -0.086 4.234 4.320 0.000 0.000 0.219 98 A C 0.818 178.429 177.584 0.045 0.000 1.163 98 A CA 0.730 52.790 52.037 0.039 0.000 0.646 98 A CB -0.087 18.936 19.000 0.037 0.000 0.806 98 A HN 0.824 nan 8.150 nan 0.000 0.448 99 R N -1.069 119.456 120.500 0.042 0.000 3.641 99 R HA -0.158 4.182 4.340 0.000 0.000 0.286 99 R C -0.530 175.805 176.300 0.059 0.000 1.153 99 R CA 0.962 57.091 56.100 0.048 0.000 0.775 99 R CB -2.711 27.622 30.300 0.055 0.000 1.215 99 R HN 0.665 nan 8.270 nan 0.000 0.474 100 N N 0.104 118.834 118.700 0.051 0.000 2.446 100 N HA 0.411 5.151 4.740 0.000 0.000 0.265 100 N C 0.659 176.197 175.510 0.048 0.000 0.975 100 N CA 0.451 53.532 53.050 0.052 0.000 0.928 100 N CB 1.551 40.065 38.487 0.044 0.000 1.160 100 N HN 0.158 nan 8.380 nan 0.000 0.495 101 A N 3.746 126.600 122.820 0.057 0.000 2.209 101 A HA -0.028 4.292 4.320 0.000 0.000 0.212 101 A C 1.551 179.156 177.584 0.035 0.000 1.158 101 A CA 0.624 52.692 52.037 0.052 0.000 0.742 101 A CB -0.141 18.905 19.000 0.077 0.000 0.790 101 A HN 0.724 nan 8.150 nan 0.000 0.472 102 N N 0.054 118.770 118.700 0.028 0.000 2.220 102 N HA 0.069 4.809 4.740 0.000 0.000 0.182 102 N C 0.858 176.380 175.510 0.021 0.000 1.023 102 N CA 0.804 53.865 53.050 0.019 0.000 0.856 102 N CB -0.083 38.413 38.487 0.015 0.000 0.997 102 N HN 0.523 nan 8.380 nan 0.000 0.429 103 I N 0.656 121.241 120.570 0.025 0.000 3.468 103 I HA 0.070 4.240 4.170 0.000 0.000 0.299 103 I C 0.694 176.825 176.117 0.022 0.000 1.141 103 I CA -0.917 60.397 61.300 0.023 0.000 0.950 103 I CB 0.203 38.218 38.000 0.026 0.000 1.522 103 I HN -0.083 nan 8.210 nan 0.000 0.699 104 D N 0.708 121.120 120.400 0.020 0.000 2.419 104 D HA 0.114 4.754 4.640 0.000 0.000 0.236 104 D C 0.794 177.107 176.300 0.020 0.000 1.165 104 D CA 0.355 54.366 54.000 0.018 0.000 0.882 104 D CB 1.132 41.941 40.800 0.016 0.000 1.201 104 D HN 0.597 nan 8.370 nan 0.000 0.443 105 A N 2.230 125.061 122.820 0.019 0.000 2.168 105 A HA 0.137 4.457 4.320 0.000 0.000 0.215 105 A C 1.742 179.336 177.584 0.017 0.000 1.152 105 A CA 1.146 53.195 52.037 0.019 0.000 0.716 105 A CB -0.395 18.614 19.000 0.016 0.000 0.794 105 A HN 0.599 nan 8.150 nan 0.000 0.465 106 G N -1.115 107.694 108.800 0.016 0.000 3.233 106 G HA2 0.446 4.406 3.960 0.000 0.000 0.234 106 G HA3 0.446 4.406 3.960 0.000 0.000 0.234 106 G C 0.678 175.588 174.900 0.016 0.000 1.137 106 G CA 0.546 45.655 45.100 0.014 0.000 0.763 106 G HN 0.687 nan 8.290 nan 0.000 0.549 107 A N 0.280 123.112 122.820 0.019 0.000 2.504 107 A HA 0.408 4.728 4.320 0.000 0.000 0.242 107 A C 0.232 177.828 177.584 0.021 0.000 1.100 107 A CA 0.253 52.302 52.037 0.021 0.000 0.786 107 A CB 0.302 19.316 19.000 0.024 0.000 1.050 107 A HN 0.353 nan 8.150 nan 0.000 0.512 108 E N -0.321 119.893 120.200 0.022 0.000 2.195 108 E HA 0.441 4.791 4.350 0.000 0.000 0.271 108 E C 0.067 176.684 176.600 0.027 0.000 0.923 108 E CA -0.341 56.072 56.400 0.022 0.000 0.790 108 E CB 1.715 31.426 29.700 0.019 0.000 1.155 108 E HN 0.723 nan 8.360 nan 0.000 0.402 109 A N 2.510 125.347 122.820 0.027 0.000 2.004 109 A HA -0.050 4.270 4.320 0.000 0.000 0.212 109 A C 0.785 178.392 177.584 0.038 0.000 1.442 109 A CA 0.373 52.431 52.037 0.034 0.000 1.450 109 A CB -1.411 17.606 19.000 0.029 0.000 0.749 109 A HN 0.469 nan 8.150 nan 0.000 0.591 110 T N -2.486 112.091 114.554 0.037 0.000 2.729 110 T HA 0.186 4.536 4.350 0.000 0.000 0.296 110 T C 0.923 175.652 174.700 0.048 0.000 0.928 110 T CA 0.053 62.177 62.100 0.039 0.000 1.045 110 T CB 1.107 69.994 68.868 0.032 0.000 0.902 110 T HN 0.449 nan 8.240 nan 0.000 0.500 111 D N 3.533 123.967 120.400 0.057 0.000 2.339 111 D HA -0.359 4.282 4.640 0.000 0.000 0.189 111 D C 1.505 177.840 176.300 0.060 0.000 1.022 111 D CA 2.306 56.346 54.000 0.067 0.000 0.884 111 D CB -0.133 40.708 40.800 0.068 0.000 0.916 111 D HN 0.836 nan 8.370 nan 0.000 0.453 112 Q N 0.106 119.935 119.800 0.048 0.000 2.217 112 Q HA -0.091 4.249 4.340 0.000 0.000 0.209 112 Q C 1.841 177.868 176.000 0.045 0.000 0.988 112 Q CA 1.568 57.397 55.803 0.042 0.000 0.878 112 Q CB -0.405 28.353 28.738 0.033 0.000 0.909 112 Q HN 0.509 nan 8.270 nan 0.000 0.424 113 N N -0.525 118.202 118.700 0.045 0.000 2.336 113 N HA 0.093 4.833 4.740 0.000 0.000 0.189 113 N C 0.633 176.174 175.510 0.052 0.000 1.113 113 N CA -0.116 52.960 53.050 0.044 0.000 0.858 113 N CB 0.323 38.832 38.487 0.038 0.000 0.970 113 N HN 0.079 nan 8.380 nan 0.000 0.471 114 R N -0.048 120.490 120.500 0.062 0.000 2.437 114 R HA 0.080 4.420 4.340 0.000 0.000 0.257 114 R C -0.036 176.314 176.300 0.084 0.000 0.927 114 R CA 0.157 56.300 56.100 0.071 0.000 1.078 114 R CB 0.955 31.302 30.300 0.079 0.000 1.161 114 R HN 0.119 nan 8.270 nan 0.000 0.529 115 T N -3.107 111.500 114.554 0.089 0.000 2.952 115 T HA 0.352 4.702 4.350 0.000 0.000 0.286 115 T C 1.151 175.921 174.700 0.116 0.000 1.024 115 T CA -0.829 61.342 62.100 0.117 0.000 1.029 115 T CB 1.773 70.709 68.868 0.113 0.000 1.094 115 T HN -0.124 nan 8.240 nan 0.000 0.515 116 L N 0.269 121.592 121.223 0.168 0.000 2.095 116 L HA 0.132 4.472 4.340 0.000 0.000 0.204 116 L C 1.178 178.102 176.870 0.091 0.000 1.080 116 L CA 0.778 55.708 54.840 0.150 0.000 0.759 116 L CB -0.276 41.937 42.059 0.257 0.000 0.914 116 L HN 0.803 nan 8.230 nan 0.000 0.439 117 D N -1.207 119.253 120.400 0.102 0.000 2.478 117 D HA 0.021 4.661 4.640 0.000 0.000 0.269 117 D C 0.534 176.857 176.300 0.038 0.000 1.232 117 D CA -0.301 53.722 54.000 0.038 0.000 1.059 117 D CB 0.913 41.758 40.800 0.075 0.000 1.104 117 D HN -0.163 nan 8.370 nan 0.000 0.566 118 E N -0.827 119.384 120.200 0.017 0.000 2.276 118 E HA 0.167 4.517 4.350 0.000 0.000 0.193 118 E C 1.748 178.360 176.600 0.019 0.000 0.983 118 E CA 0.813 57.223 56.400 0.017 0.000 0.861 118 E CB -0.232 29.472 29.700 0.006 0.000 0.817 118 E HN 0.543 nan 8.360 nan 0.000 0.485 119 A N 0.236 123.067 122.820 0.019 0.000 2.168 119 A HA 0.196 4.516 4.320 0.000 0.000 0.215 119 A C 1.660 179.250 177.584 0.010 0.000 1.152 119 A CA 0.868 52.911 52.037 0.011 0.000 0.716 119 A CB -0.834 18.169 19.000 0.005 0.000 0.794 119 A HN 0.268 nan 8.150 nan 0.000 0.465 120 G N -0.356 108.463 108.800 0.032 0.000 2.338 120 G HA2 -0.311 3.649 3.960 0.000 0.000 0.296 120 G HA3 -0.311 3.649 3.960 0.000 0.000 0.296 120 G C 0.428 175.330 174.900 0.004 0.000 1.040 120 G CA 0.890 46.013 45.100 0.039 0.000 1.004 120 G HN 0.712 nan 8.290 nan 0.000 0.509 121 E N -1.583 118.594 120.200 -0.039 0.000 2.244 121 E HA 0.129 4.479 4.350 0.000 0.000 0.196 121 E C 0.602 177.013 176.600 -0.314 0.000 0.939 121 E CA -0.523 55.742 56.400 -0.226 0.000 0.884 121 E CB 0.254 29.734 29.700 -0.367 0.000 0.850 121 E HN 0.576 nan 8.360 nan 0.000 0.481 122 W N 2.117 123.463 121.300 0.078 0.000 2.318 122 W HA 0.283 4.943 4.660 0.000 0.000 0.362 122 W C -0.696 175.899 176.519 0.126 0.000 0.978 122 W CA -0.857 56.570 57.345 0.137 0.000 1.509 122 W CB 0.486 30.083 29.460 0.229 0.000 1.437 122 W HN 0.059 nan 8.180 nan 0.000 0.361 123 L N 5.196 126.586 121.223 0.279 0.000 2.261 123 L HA 0.528 4.868 4.340 0.000 0.000 0.289 123 L C -0.687 176.309 176.870 0.211 0.000 1.059 123 L CA -0.454 54.518 54.840 0.220 0.000 0.816 123 L CB 0.673 42.864 42.059 0.220 0.000 1.191 123 L HN 0.077 nan 8.230 nan 0.000 0.431 124 V N 7.675 127.670 119.914 0.135 0.000 2.376 124 V HA 0.592 4.712 4.120 0.000 0.000 0.287 124 V C 0.003 176.060 176.094 -0.061 0.000 1.015 124 V CA -0.301 62.022 62.300 0.038 0.000 0.834 124 V CB 1.226 33.041 31.823 -0.013 0.000 1.001 124 V HN 0.934 nan 8.190 nan 0.000 0.428 125 M N 2.547 122.084 119.600 -0.104 0.000 2.622 125 M HA 0.605 5.085 4.480 0.000 0.000 0.276 125 M C -1.691 174.453 176.300 -0.260 0.000 1.265 125 M CA -0.763 54.434 55.300 -0.172 0.000 0.850 125 M CB 1.931 34.452 32.600 -0.132 0.000 1.720 125 M HN 0.302 nan 8.290 nan 0.000 0.465 126 W N 1.135 122.284 121.300 -0.252 0.000 2.446 126 W HA 0.460 5.120 4.660 0.000 0.000 0.316 126 W C 1.119 177.246 176.519 -0.655 0.000 1.376 126 W CA -0.212 56.929 57.345 -0.339 0.000 1.300 126 W CB 0.757 30.087 29.460 -0.216 0.000 1.351 126 W HN 0.880 nan 8.180 nan 0.000 0.530 127 G N 3.174 111.453 108.800 -0.868 0.000 3.397 127 G HA2 0.199 4.159 3.960 0.000 0.000 0.248 127 G HA3 0.199 4.159 3.960 0.000 0.000 0.248 127 G C -0.417 174.058 174.900 -0.708 0.000 1.284 127 G CA -0.310 43.706 45.100 -1.806 0.000 1.570 127 G HN 0.305 nan 8.290 nan 0.000 0.587 128 V N 0.967 120.652 119.914 -0.382 0.000 2.266 128 V HA 0.138 4.258 4.120 0.000 0.000 0.271 128 V C 0.906 176.890 176.094 -0.183 0.000 1.032 128 V CA -1.647 60.518 62.300 -0.225 0.000 0.806 128 V CB 0.336 32.033 31.823 -0.210 0.000 1.052 128 V HN 0.414 nan 8.190 nan 0.000 0.449 129 C N 4.919 124.132 119.300 -0.147 0.000 2.275 129 C HA -0.030 4.430 4.460 0.000 0.000 0.391 129 C C 2.182 177.204 174.990 0.053 0.000 1.503 129 C CA 1.164 60.170 59.018 -0.021 0.000 1.502 129 C CB -0.051 27.740 27.740 0.084 0.000 2.529 129 C HN 1.036 nan 8.230 nan 0.000 0.588 130 T N 2.073 116.717 114.554 0.150 0.000 3.148 130 T HA -0.031 4.319 4.350 0.000 0.000 0.253 130 T C 1.381 176.159 174.700 0.130 0.000 1.134 130 T CA 1.460 63.618 62.100 0.098 0.000 1.051 130 T CB -0.511 68.420 68.868 0.106 0.000 0.959 130 T HN 0.962 nan 8.240 nan 0.000 0.525 131 H N 1.004 120.104 119.070 0.050 0.000 2.266 131 H HA 0.232 4.788 4.556 0.000 0.000 0.309 131 H C 1.245 176.560 175.328 -0.022 0.000 1.054 131 H CA 0.920 56.974 56.048 0.009 0.000 1.328 131 H CB 0.068 29.848 29.762 0.030 0.000 1.407 131 H HN 0.311 nan 8.280 nan 0.000 0.508 132 L N -0.802 120.292 121.223 -0.216 0.000 3.217 132 L HA 0.268 4.608 4.340 0.000 0.000 0.288 132 L C 1.084 177.890 176.870 -0.107 0.000 1.202 132 L CA 0.542 55.214 54.840 -0.279 0.000 1.027 132 L CB 1.815 43.599 42.059 -0.459 0.000 1.427 132 L HN 0.760 nan 8.230 nan 0.000 0.600 133 G N -0.602 108.167 108.800 -0.052 0.000 2.284 133 G HA2 -0.223 3.737 3.960 0.000 0.000 0.201 133 G HA3 -0.223 3.737 3.960 0.000 0.000 0.201 133 G C 0.446 175.321 174.900 -0.042 0.000 0.998 133 G CA -0.106 44.957 45.100 -0.061 0.000 0.651 133 G HN 0.211 nan 8.290 nan 0.000 0.489 134 c N 1.028 119.624 118.600 -0.006 0.000 2.801 134 c HA 0.563 5.133 4.570 0.000 0.000 0.376 134 c C 1.597 175.679 174.090 -0.014 0.000 1.323 134 c CA 0.898 57.224 56.329 -0.005 0.000 2.170 134 c CB 1.101 43.612 42.510 0.001 0.000 2.650 134 c HN 0.764 nan 8.230 nan 0.000 0.736 135 S N 3.102 118.817 115.700 0.025 0.000 2.423 135 S HA 0.372 4.842 4.470 0.000 0.000 0.317 135 S C -2.191 172.513 174.600 0.172 0.000 1.065 135 S CA -1.025 57.221 58.200 0.076 0.000 1.111 135 S CB 0.220 63.512 63.200 0.154 0.000 0.968 135 S HN 0.641 nan 8.310 nan 0.000 0.474 136 P HA 0.162 nan 4.420 nan 0.000 0.268 136 P C -0.236 177.308 177.300 0.407 0.000 1.204 136 P CA -0.274 62.949 63.100 0.206 0.000 0.768 136 P CB 0.381 32.137 31.700 0.093 0.000 0.842 137 I N 1.902 122.654 120.570 0.304 0.000 2.668 137 I HA 0.073 4.243 4.170 0.000 0.000 0.285 137 I C 1.653 177.933 176.117 0.271 0.000 1.168 137 I CA 0.299 61.753 61.300 0.256 0.000 1.424 137 I CB 0.070 38.203 38.000 0.222 0.000 1.377 137 I HN 0.457 nan 8.210 nan 0.000 0.560 138 G N 3.514 112.374 108.800 0.099 0.000 2.882 138 G HA2 0.492 4.452 3.960 0.000 0.000 0.164 138 G HA3 0.492 4.452 3.960 0.000 0.000 0.164 138 G C 0.706 175.410 174.900 -0.327 0.000 1.429 138 G CA -0.211 44.685 45.100 -0.340 0.000 1.059 138 G HN 1.084 nan 8.290 nan 0.000 0.581 139 G N -2.115 106.457 108.800 -0.379 0.000 2.256 139 G HA2 0.083 4.043 3.960 0.000 0.000 0.272 139 G HA3 0.083 4.043 3.960 0.000 0.000 0.272 139 G C 0.437 175.172 174.900 -0.275 0.000 1.076 139 G CA 0.395 45.344 45.100 -0.252 0.000 0.882 139 G HN 1.753 nan 8.290 nan 0.000 0.497 140 V N -1.157 118.502 119.914 -0.425 0.000 5.825 140 V HA -0.199 3.921 4.120 0.000 0.000 0.234 140 V C 1.144 177.120 176.094 -0.196 0.000 0.670 140 V CA 2.253 64.356 62.300 -0.328 0.000 0.559 140 V CB -1.658 30.036 31.823 -0.214 0.000 0.240 140 V HN 2.192 nan 8.190 nan 0.000 0.545 141 S N 0.495 116.085 115.700 -0.183 0.000 2.599 141 S HA 0.993 5.463 4.470 0.000 0.000 0.294 141 S C 0.081 174.718 174.600 0.062 0.000 1.094 141 S CA 0.270 58.434 58.200 -0.059 0.000 0.931 141 S CB 2.693 65.870 63.200 -0.039 0.000 1.093 141 S HN 2.344 nan 8.310 nan 0.000 0.488 142 G N 0.928 109.761 108.800 0.056 0.000 2.422 142 G HA2 -0.012 3.948 3.960 0.000 0.000 0.607 142 G HA3 -0.012 3.948 3.960 0.000 0.000 0.607 142 G C -0.752 174.301 174.900 0.256 0.000 1.270 142 G CA -0.141 45.080 45.100 0.202 0.000 0.992 142 G HN 0.629 nan 8.290 nan 0.000 0.499 143 D N -0.377 120.346 120.400 0.538 0.000 2.340 143 D HA 0.235 4.875 4.640 0.000 0.000 0.220 143 D C 0.992 177.079 176.300 -0.356 0.000 1.039 143 D CA 0.768 54.748 54.000 -0.033 0.000 0.866 143 D CB -0.000 40.591 40.800 -0.347 0.000 0.913 143 D HN 0.232 nan 8.370 nan 0.000 0.523 144 F N -0.665 119.379 119.950 0.158 0.000 2.815 144 F HA 0.298 4.825 4.527 0.000 0.000 0.323 144 F C 1.401 177.257 175.800 0.094 0.000 1.151 144 F CA -0.556 57.511 58.000 0.112 0.000 1.191 144 F CB 0.736 39.818 39.000 0.137 0.000 1.069 144 F HN -0.121 nan 8.300 nan 0.000 0.514 145 G N 0.859 109.751 108.800 0.154 0.000 2.273 145 G HA2 -0.128 3.832 3.960 0.000 0.000 0.280 145 G HA3 -0.128 3.832 3.960 0.000 0.000 0.280 145 G C 0.719 175.627 174.900 0.013 0.000 1.047 145 G CA 0.341 45.469 45.100 0.048 0.000 0.869 145 G HN 0.783 nan 8.290 nan 0.000 0.502 146 G N -1.461 107.393 108.800 0.090 0.000 3.054 146 G HA2 0.566 4.526 3.960 0.000 0.000 0.201 146 G HA3 0.566 4.526 3.960 0.000 0.000 0.201 146 G C -0.220 174.550 174.900 -0.217 0.000 1.694 146 G CA -0.236 44.878 45.100 0.023 0.000 0.742 146 G HN 0.331 nan 8.290 nan 0.000 0.790 147 W N -0.421 121.046 121.300 0.278 0.000 2.844 147 W HA 0.645 5.305 4.660 0.000 0.000 0.340 147 W C -1.673 175.064 176.519 0.363 0.000 1.093 147 W CA -0.822 56.671 57.345 0.246 0.000 1.212 147 W CB 2.173 31.727 29.460 0.157 0.000 1.422 147 W HN 0.202 nan 8.180 nan 0.000 0.515 148 F N 2.958 123.087 119.950 0.298 0.000 2.477 148 F HA 0.429 4.956 4.527 0.000 0.000 0.335 148 F C -0.522 175.374 175.800 0.160 0.000 1.130 148 F CA -1.135 56.943 58.000 0.130 0.000 0.948 148 F CB 0.711 39.689 39.000 -0.038 0.000 1.154 148 F HN 0.185 nan 8.300 nan 0.000 0.439 149 C N 10.427 129.408 119.300 -0.532 0.000 2.349 149 C HA 0.383 4.843 4.460 0.000 0.000 0.348 149 C C -0.914 173.540 174.990 -0.893 0.000 1.223 149 C CA -1.667 57.103 59.018 -0.414 0.000 1.746 149 C CB 0.013 27.713 27.740 -0.066 0.000 2.360 149 C HN 0.777 nan 8.230 nan 0.000 0.533 150 P HA -0.022 nan 4.420 nan 0.000 0.226 150 P C 1.500 178.679 177.300 -0.202 0.000 1.153 150 P CA 1.142 64.069 63.100 -0.288 0.000 0.777 150 P CB -0.052 31.642 31.700 -0.010 0.000 0.794 151 c N -0.622 117.840 118.600 -0.230 0.000 2.436 151 c HA -0.081 4.489 4.570 0.000 0.000 0.277 151 c C 1.979 175.692 174.090 -0.629 0.000 1.241 151 c CA 1.258 57.367 56.329 -0.367 0.000 1.721 151 c CB -2.050 40.298 42.510 -0.270 0.000 2.043 151 c HN 0.401 nan 8.230 nan 0.000 0.472 152 H N -1.761 117.327 119.070 0.029 0.000 2.885 152 H HA 0.368 4.924 4.556 0.000 0.000 0.254 152 H C 1.151 176.493 175.328 0.025 0.000 1.185 152 H CA 0.621 56.710 56.048 0.067 0.000 1.029 152 H CB 0.020 29.885 29.762 0.171 0.000 1.743 152 H HN 0.424 nan 8.280 nan 0.000 0.632 153 G N 0.898 109.700 108.800 0.003 0.000 2.171 153 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 153 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 153 G C -0.146 174.848 174.900 0.157 0.000 1.039 153 G CA 0.180 45.345 45.100 0.107 0.000 0.759 153 G HN 0.305 nan 8.290 nan 0.000 0.501 154 S N 0.690 116.385 115.700 -0.009 0.000 2.513 154 S HA 0.552 5.022 4.470 0.000 0.000 0.276 154 S C 0.152 174.855 174.600 0.172 0.000 1.254 154 S CA -0.502 57.762 58.200 0.106 0.000 1.053 154 S CB 0.584 63.838 63.200 0.091 0.000 0.958 154 S HN 0.429 nan 8.310 nan 0.000 0.491 155 H N 1.960 121.122 119.070 0.153 0.000 2.457 155 H HA 0.395 4.952 4.556 0.000 0.000 0.335 155 H C -1.202 174.167 175.328 0.069 0.000 1.115 155 H CA -0.351 55.905 56.048 0.346 0.000 1.219 155 H CB 1.106 31.157 29.762 0.482 0.000 1.471 155 H HN 0.505 nan 8.280 nan 0.000 0.491 156 Y N 0.939 121.478 120.300 0.398 0.000 2.524 156 Y HA 0.101 4.651 4.550 0.000 0.000 0.344 156 Y C 0.377 176.512 175.900 0.392 0.000 1.012 156 Y CA -1.072 57.212 58.100 0.307 0.000 1.068 156 Y CB 1.266 39.931 38.460 0.340 0.000 1.249 156 Y HN 0.679 nan 8.280 nan 0.000 0.468 157 D N -1.394 119.264 120.400 0.430 0.000 2.432 157 D HA 0.133 4.773 4.640 0.000 0.000 0.258 157 D C 0.816 177.377 176.300 0.434 0.000 1.146 157 D CA -0.482 53.751 54.000 0.388 0.000 1.015 157 D CB 0.709 41.653 40.800 0.240 0.000 1.107 157 D HN 0.443 nan 8.370 nan 0.000 0.529 158 S N -1.392 114.488 115.700 0.299 0.000 2.559 158 S HA -0.086 4.384 4.470 0.000 0.000 0.250 158 S C 1.375 176.184 174.600 0.349 0.000 0.977 158 S CA 0.660 59.017 58.200 0.260 0.000 0.958 158 S CB -0.615 62.665 63.200 0.133 0.000 0.751 158 S HN 0.690 nan 8.310 nan 0.000 0.534 159 A N 0.074 123.095 122.820 0.334 0.000 2.469 159 A HA 0.674 4.994 4.320 0.000 0.000 0.245 159 A C 1.419 179.152 177.584 0.249 0.000 1.221 159 A CA 0.177 52.368 52.037 0.256 0.000 0.946 159 A CB -0.302 18.799 19.000 0.168 0.000 1.049 159 A HN 1.386 nan 8.150 nan 0.000 0.529 160 G N 0.100 109.117 108.800 0.361 0.000 2.160 160 G HA2 -0.241 3.719 3.960 0.000 0.000 0.244 160 G HA3 -0.241 3.719 3.960 0.000 0.000 0.244 160 G C 0.087 175.176 174.900 0.315 0.000 1.022 160 G CA 0.226 45.469 45.100 0.238 0.000 0.741 160 G HN 0.613 nan 8.290 nan 0.000 0.508 161 R N -0.663 120.003 120.500 0.277 0.000 2.428 161 R HA 0.590 4.930 4.340 0.000 0.000 0.294 161 R C 0.406 176.728 176.300 0.037 0.000 1.000 161 R CA -0.995 55.198 56.100 0.155 0.000 0.960 161 R CB 1.301 31.643 30.300 0.071 0.000 1.076 161 R HN 0.253 nan 8.270 nan 0.000 0.475 162 I N 2.248 122.745 120.570 -0.122 0.000 2.556 162 I HA -0.002 4.168 4.170 0.000 0.000 0.284 162 I C 0.425 176.328 176.117 -0.357 0.000 1.114 162 I CA 0.480 61.507 61.300 -0.455 0.000 1.418 162 I CB 0.453 38.215 38.000 -0.396 0.000 1.394 162 I HN 0.582 nan 8.210 nan 0.000 0.552 163 R N 6.086 126.306 120.500 -0.468 0.000 2.541 163 R HA 0.276 4.616 4.340 0.000 0.000 0.332 163 R C -0.524 175.511 176.300 -0.443 0.000 0.951 163 R CA -0.193 55.541 56.100 -0.611 0.000 1.136 163 R CB 0.060 29.530 30.300 -1.384 0.000 1.449 163 R HN 0.689 nan 8.270 nan 0.000 0.531 164 K N -0.278 119.982 120.400 -0.234 0.000 2.663 164 K HA 0.342 4.662 4.320 0.000 0.000 0.267 164 K C -1.016 175.604 176.600 0.034 0.000 1.004 164 K CA 0.358 56.611 56.287 -0.057 0.000 0.947 164 K CB 1.070 33.585 32.500 0.025 0.000 1.372 164 K HN 0.166 nan 8.250 nan 0.000 0.411 165 G N 3.415 112.221 108.800 0.009 0.000 2.373 165 G HA2 -0.067 3.893 3.960 0.000 0.000 0.634 165 G HA3 -0.067 3.893 3.960 0.000 0.000 0.634 165 G C -2.546 172.291 174.900 -0.105 0.000 1.267 165 G CA -0.381 44.723 45.100 0.007 0.000 1.008 165 G HN 0.401 nan 8.290 nan 0.000 0.497 166 P HA 0.300 nan 4.420 nan 0.000 0.221 166 P C 1.224 178.345 177.300 -0.298 0.000 1.150 166 P CA 1.427 64.290 63.100 -0.396 0.000 0.800 166 P CB -0.006 31.125 31.700 -0.948 0.000 0.787 167 A N 1.692 124.394 122.820 -0.197 0.000 2.567 167 A HA 0.080 4.400 4.320 0.000 0.000 0.240 167 A C -1.069 176.481 177.584 -0.058 0.000 1.053 167 A CA -0.311 51.705 52.037 -0.035 0.000 0.755 167 A CB -0.390 18.606 19.000 -0.006 0.000 0.978 167 A HN 0.178 nan 8.150 nan 0.000 0.507 168 P HA 0.111 nan 4.420 nan 0.000 0.244 168 P C 0.110 177.402 177.300 -0.013 0.000 1.191 168 P CA 0.654 63.743 63.100 -0.019 0.000 0.829 168 P CB 0.620 32.320 31.700 0.000 0.000 1.008 169 E N -0.301 119.910 120.200 0.018 0.000 2.428 169 E HA 0.332 4.682 4.350 0.000 0.000 0.259 169 E C -0.346 176.301 176.600 0.077 0.000 0.930 169 E CA -1.033 55.386 56.400 0.030 0.000 0.823 169 E CB 0.730 30.451 29.700 0.035 0.000 1.403 169 E HN -0.076 nan 8.360 nan 0.000 0.415 170 N N 0.608 119.361 118.700 0.088 0.000 2.493 170 N HA 0.245 4.985 4.740 0.000 0.000 0.275 170 N C -0.273 175.338 175.510 0.168 0.000 1.186 170 N CA -0.299 52.848 53.050 0.161 0.000 0.978 170 N CB 0.589 39.141 38.487 0.107 0.000 1.184 170 N HN 0.308 nan 8.380 nan 0.000 0.487 171 L N 1.837 123.162 121.223 0.171 0.000 2.540 171 L HA 0.102 4.442 4.340 0.000 0.000 0.276 171 L C -1.928 174.969 176.870 0.045 0.000 1.212 171 L CA -1.124 53.718 54.840 0.004 0.000 0.893 171 L CB -0.266 41.666 42.059 -0.211 0.000 1.138 171 L HN 0.210 nan 8.230 nan 0.000 0.491 172 P HA 0.233 nan 4.420 nan 0.000 0.274 172 P C -0.709 176.710 177.300 0.198 0.000 1.231 172 P CA -0.240 62.956 63.100 0.160 0.000 0.790 172 P CB 0.811 32.622 31.700 0.184 0.000 0.951 173 I N 4.531 125.177 120.570 0.128 0.000 2.336 173 I HA 0.349 4.519 4.170 0.000 0.000 0.292 173 I C -1.959 174.192 176.117 0.057 0.000 0.991 173 I CA -2.224 59.100 61.300 0.039 0.000 1.227 173 I CB 1.450 39.464 38.000 0.024 0.000 1.366 173 I HN 0.251 nan 8.210 nan 0.000 0.466 174 P HA 0.225 nan 4.420 nan 0.000 0.282 174 P C -0.564 176.689 177.300 -0.078 0.000 1.259 174 P CA -0.664 62.407 63.100 -0.047 0.000 0.826 174 P CB 1.057 32.482 31.700 -0.459 0.000 1.064 175 L N 0.909 122.123 121.223 -0.015 0.000 2.700 175 L HA 0.178 4.518 4.340 0.000 0.000 0.272 175 L C 0.814 177.593 176.870 -0.152 0.000 1.176 175 L CA 0.613 55.422 54.840 -0.052 0.000 0.961 175 L CB -0.711 41.336 42.059 -0.021 0.000 1.249 175 L HN 0.516 nan 8.230 nan 0.000 0.487 176 A N 5.614 128.349 122.820 -0.141 0.000 2.556 176 A HA 0.934 5.254 4.320 0.000 0.000 0.294 176 A C -1.103 176.409 177.584 -0.120 0.000 1.091 176 A CA -0.716 51.202 52.037 -0.198 0.000 0.704 176 A CB 2.026 20.898 19.000 -0.213 0.000 1.300 176 A HN 0.649 nan 8.150 nan 0.000 0.406 177 K N 0.281 120.592 120.400 -0.148 0.000 2.636 177 K HA 0.437 4.757 4.320 0.000 0.000 0.268 177 K C -1.955 174.611 176.600 -0.057 0.000 0.958 177 K CA -0.712 55.556 56.287 -0.032 0.000 0.875 177 K CB 0.505 32.986 32.500 -0.032 0.000 1.382 177 K HN 0.284 nan 8.250 nan 0.000 0.405 178 F N 2.705 122.560 119.950 -0.157 0.000 2.467 178 F HA 0.179 4.706 4.527 0.000 0.000 0.362 178 F C 1.267 177.004 175.800 -0.104 0.000 1.090 178 F CA -0.644 57.255 58.000 -0.169 0.000 1.202 178 F CB 0.689 39.570 39.000 -0.198 0.000 1.113 178 F HN 0.544 nan 8.300 nan 0.000 0.541 179 I N -0.403 120.186 120.570 0.031 0.000 3.904 179 I HA 0.347 4.517 4.170 0.000 0.000 0.333 179 I C -0.549 175.604 176.117 0.060 0.000 1.361 179 I CA -0.188 61.142 61.300 0.051 0.000 1.116 179 I CB -0.868 37.178 38.000 0.076 0.000 1.028 179 I HN 0.487 nan 8.210 nan 0.000 0.398 180 D N -1.758 118.689 120.400 0.078 0.000 2.890 180 D HA 0.033 4.673 4.640 0.000 0.000 0.306 180 D C 0.029 176.394 176.300 0.109 0.000 1.280 180 D CA -0.593 53.446 54.000 0.066 0.000 0.742 180 D CB 0.159 40.981 40.800 0.036 0.000 1.266 180 D HN 0.011 nan 8.370 nan 0.000 0.433 181 E N -0.943 119.301 120.200 0.074 0.000 2.333 181 E HA -0.072 4.278 4.350 0.000 0.000 0.198 181 E C 0.700 177.366 176.600 0.111 0.000 1.007 181 E CA 1.432 57.883 56.400 0.084 0.000 0.845 181 E CB -0.002 29.726 29.700 0.047 0.000 0.766 181 E HN 0.423 nan 8.360 nan 0.000 0.507 182 T N -0.169 114.421 114.554 0.059 0.000 3.209 182 T HA 0.087 4.437 4.350 0.000 0.000 0.295 182 T C -0.590 174.042 174.700 -0.114 0.000 0.977 182 T CA -0.106 61.995 62.100 0.001 0.000 0.922 182 T CB 0.508 69.384 68.868 0.013 0.000 1.152 182 T HN -0.104 nan 8.240 nan 0.000 0.527 183 T N 2.069 116.526 114.554 -0.162 0.000 2.928 183 T HA 0.584 4.934 4.350 0.000 0.000 0.296 183 T C -0.688 173.736 174.700 -0.461 0.000 1.000 183 T CA -0.442 61.506 62.100 -0.253 0.000 0.989 183 T CB 1.372 70.195 68.868 -0.075 0.000 1.005 183 T HN 0.201 nan 8.240 nan 0.000 0.442 184 I N 3.152 123.338 120.570 -0.641 0.000 2.498 184 I HA 0.474 4.644 4.170 0.000 0.000 0.301 184 I C 0.151 175.969 176.117 -0.498 0.000 0.984 184 I CA -1.008 59.846 61.300 -0.743 0.000 1.204 184 I CB 1.698 39.180 38.000 -0.864 0.000 1.362 184 I HN 0.604 nan 8.210 nan 0.000 0.471 185 Q N 6.337 125.834 119.800 -0.506 0.000 2.401 185 Q HA 0.569 4.909 4.340 0.000 0.000 0.260 185 Q C -1.563 174.053 176.000 -0.641 0.000 1.034 185 Q CA -0.591 54.784 55.803 -0.713 0.000 0.737 185 Q CB 1.129 29.292 28.738 -0.958 0.000 1.227 185 Q HN 0.562 nan 8.270 nan 0.000 0.488 186 L N 2.321 123.126 121.223 -0.697 0.000 2.452 186 L HA 0.656 4.996 4.340 0.000 0.000 0.267 186 L C 1.024 177.448 176.870 -0.744 0.000 1.188 186 L CA 0.540 54.920 54.840 -0.767 0.000 0.821 186 L CB -0.023 41.384 42.059 -1.087 0.000 1.102 186 L HN 1.038 nan 8.230 nan 0.000 0.470 187 G N 0.000 108.507 108.800 -0.489 0.000 5.446 187 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 187 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 187 G CA 0.000 45.044 45.100 -0.093 0.000 0.502 187 G HN 0.000 nan 8.290 nan 0.000 0.925