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 2fpo_1_E DATA FIRST_RESID 10 DATA SEQUENCE GQIRIIGGQW RGRKLPVPDS PXXXXXTDRV RETLFNWLAP VIVDAQCLDC DATA SEQUENCE FAGSGALGLE ALSRYAAGAT LIEXDRAVSQ QLIKNLATLK AGNARVVNSN DATA SEQUENCE AXSFLAQKGT PHNIVFVDPP FRRGLLEETI NLLEDNGWLA DEALIYVESE DATA SEQUENCE VENGLPTVPA NWSLHREKVA GQVAYRLYQR EAQ 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 10 G C 0.000 174.886 174.900 -0.023 0.000 0.946 10 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 11 Q N 1.394 121.179 119.800 -0.025 0.000 2.353 11 Q HA 0.661 5.001 4.340 -0.000 0.000 0.275 11 Q C -1.637 174.343 176.000 -0.034 0.000 1.029 11 Q CA -0.903 54.881 55.803 -0.031 0.000 0.848 11 Q CB 2.709 31.429 28.738 -0.030 0.000 1.390 11 Q HN 0.709 nan 8.270 nan 0.000 0.401 12 I N 2.708 123.253 120.570 -0.042 0.000 2.530 12 I HA 0.623 4.793 4.170 -0.000 0.000 0.297 12 I C -1.495 174.591 176.117 -0.051 0.000 1.011 12 I CA -0.866 60.406 61.300 -0.047 0.000 1.107 12 I CB 1.630 39.599 38.000 -0.052 0.000 1.285 12 I HN 0.762 nan 8.210 nan 0.000 0.436 13 R N 6.735 127.205 120.500 -0.050 0.000 2.480 13 R HA 0.514 4.854 4.340 -0.000 0.000 0.306 13 R C -1.462 174.805 176.300 -0.055 0.000 0.958 13 R CA -0.709 55.362 56.100 -0.048 0.000 0.861 13 R CB 1.560 31.837 30.300 -0.040 0.000 1.171 13 R HN 0.605 nan 8.270 nan 0.000 0.445 14 I N 5.514 126.058 120.570 -0.044 0.000 2.556 14 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 14 I C 1.268 177.350 176.117 -0.058 0.000 1.114 14 I CA 0.340 61.611 61.300 -0.048 0.000 1.418 14 I CB 1.164 39.178 38.000 0.024 0.000 1.394 14 I HN 0.711 nan 8.210 nan 0.000 0.552 15 I N 4.158 124.667 120.570 -0.102 0.000 2.385 15 I HA 0.159 4.329 4.170 -0.000 0.000 0.244 15 I C 1.340 177.404 176.117 -0.087 0.000 1.089 15 I CA 0.525 61.769 61.300 -0.092 0.000 1.410 15 I CB -0.382 37.552 38.000 -0.110 0.000 1.117 15 I HN 0.679 nan 8.210 nan 0.000 0.429 16 G N -0.741 107.981 108.800 -0.129 0.000 3.042 16 G HA2 0.588 4.548 3.960 -0.000 0.000 0.278 16 G HA3 0.588 4.548 3.960 -0.000 0.000 0.278 16 G C -0.237 174.569 174.900 -0.156 0.000 1.371 16 G CA -0.150 44.883 45.100 -0.112 0.000 1.009 16 G HN 0.519 nan 8.290 nan 0.000 0.523 17 G N -0.755 107.956 108.800 -0.149 0.000 2.632 17 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.224 17 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.224 17 G C 1.104 175.828 174.900 -0.294 0.000 1.341 17 G CA 0.977 45.913 45.100 -0.275 0.000 0.880 17 G HN 1.373 nan 8.290 nan 0.000 0.566 18 Q N -1.292 118.143 119.800 -0.608 0.000 2.291 18 Q HA -0.015 4.325 4.340 -0.000 0.000 0.205 18 Q C 1.234 177.046 176.000 -0.313 0.000 0.970 18 Q CA 1.825 57.339 55.803 -0.481 0.000 0.876 18 Q CB 0.102 28.400 28.738 -0.733 0.000 0.935 18 Q HN 0.673 nan 8.270 nan 0.000 0.455 19 W N 2.187 123.396 121.300 -0.152 0.000 3.102 19 W HA 0.334 4.994 4.660 -0.000 0.000 0.401 19 W C 0.109 176.567 176.519 -0.103 0.000 1.070 19 W CA -1.240 56.038 57.345 -0.113 0.000 1.921 19 W CB -0.348 29.038 29.460 -0.122 0.000 1.118 19 W HN 0.127 nan 8.180 nan 0.000 0.647 20 R N 1.059 121.584 120.500 0.043 0.000 2.500 20 R HA 0.154 4.494 4.340 -0.000 0.000 0.281 20 R C 1.449 177.764 176.300 0.024 0.000 0.953 20 R CA 2.133 58.237 56.100 0.006 0.000 1.108 20 R CB -0.008 30.280 30.300 -0.020 0.000 0.901 20 R HN 0.296 nan 8.270 nan 0.000 0.410 21 G N 3.205 112.009 108.800 0.006 0.000 2.179 21 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 21 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 21 G C 0.040 174.942 174.900 0.002 0.000 0.977 21 G CA 0.361 45.462 45.100 0.001 0.000 0.641 21 G HN 0.649 nan 8.290 nan 0.000 0.533 22 R N 0.172 120.681 120.500 0.014 0.000 2.441 22 R HA 0.528 4.868 4.340 -0.000 0.000 0.284 22 R C -0.227 176.050 176.300 -0.038 0.000 1.070 22 R CA -0.130 55.964 56.100 -0.011 0.000 1.047 22 R CB 0.636 30.928 30.300 -0.014 0.000 1.016 22 R HN 0.116 nan 8.270 nan 0.000 0.477 23 K N 2.517 122.887 120.400 -0.049 0.000 2.221 23 K HA 0.453 4.772 4.320 -0.000 0.000 0.258 23 K C -0.913 175.644 176.600 -0.072 0.000 0.944 23 K CA -0.322 55.932 56.287 -0.054 0.000 0.823 23 K CB 1.491 33.966 32.500 -0.042 0.000 1.113 23 K HN 0.286 nan 8.250 nan 0.000 0.431 24 L N 4.353 125.530 121.223 -0.076 0.000 2.386 24 L HA 0.542 4.882 4.340 -0.000 0.000 0.271 24 L C -2.298 174.533 176.870 -0.065 0.000 0.993 24 L CA -2.268 52.521 54.840 -0.086 0.000 0.819 24 L CB 2.063 44.055 42.059 -0.112 0.000 1.294 24 L HN 0.485 nan 8.230 nan 0.000 0.414 25 P HA 0.148 nan 4.420 nan 0.000 0.271 25 P C -0.957 176.316 177.300 -0.044 0.000 1.216 25 P CA -0.144 62.928 63.100 -0.046 0.000 0.776 25 P CB 1.382 33.056 31.700 -0.043 0.000 0.881 26 V N 0.151 120.044 119.914 -0.035 0.000 3.040 26 V HA 0.695 4.815 4.120 -0.000 0.000 0.312 26 V C -2.784 173.298 176.094 -0.021 0.000 1.115 26 V CA -2.938 59.345 62.300 -0.029 0.000 0.998 26 V CB 1.149 32.956 31.823 -0.027 0.000 1.042 26 V HN 0.269 nan 8.190 nan 0.000 0.433 27 P HA 0.260 nan 4.420 nan 0.000 0.271 27 P C -0.759 176.536 177.300 -0.008 0.000 1.233 27 P CA 0.045 63.138 63.100 -0.011 0.000 0.789 27 P CB 0.270 31.965 31.700 -0.008 0.000 0.951 28 D N 0.151 120.548 120.400 -0.006 0.000 2.801 28 D HA 0.110 4.750 4.640 -0.000 0.000 0.232 28 D C -0.506 175.795 176.300 0.001 0.000 1.128 28 D CA 0.275 54.273 54.000 -0.003 0.000 1.003 28 D CB -0.709 40.089 40.800 -0.003 0.000 1.110 28 D HN 0.088 nan 8.370 nan 0.000 0.477 29 S N 1.965 117.667 115.700 0.003 0.000 2.525 29 S HA 0.502 4.971 4.470 -0.000 0.000 0.278 29 S C -1.608 172.999 174.600 0.012 0.000 1.234 29 S CA -1.076 57.130 58.200 0.009 0.000 1.058 29 S CB 1.195 64.402 63.200 0.011 0.000 0.983 29 S HN 0.408 nan 8.310 nan 0.000 0.495 37 D N 0.432 120.800 120.400 -0.054 0.000 2.149 37 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 37 D C 2.338 178.585 176.300 -0.089 0.000 1.001 37 D CA 2.356 56.316 54.000 -0.067 0.000 0.849 37 D CB 0.081 40.846 40.800 -0.057 0.000 0.939 37 D HN 0.650 nan 8.370 nan 0.000 0.449 38 R N 0.041 120.482 120.500 -0.099 0.000 2.073 38 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 38 R C 2.080 178.249 176.300 -0.217 0.000 1.120 38 R CA 0.934 56.952 56.100 -0.136 0.000 0.967 38 R CB -0.807 29.423 30.300 -0.118 0.000 0.862 38 R HN 0.071 nan 8.270 nan 0.000 0.436 39 V N 1.909 121.681 119.914 -0.237 0.000 2.231 39 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 39 V C 2.742 178.661 176.094 -0.293 0.000 1.054 39 V CA 2.279 64.377 62.300 -0.337 0.000 1.015 39 V CB -0.620 31.081 31.823 -0.203 0.000 0.638 39 V HN 0.384 nan 8.190 nan 0.000 0.444 40 R N -0.617 119.785 120.500 -0.162 0.000 2.091 40 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 40 R C 2.444 178.739 176.300 -0.007 0.000 1.136 40 R CA 1.825 57.893 56.100 -0.052 0.000 0.959 40 R CB -0.387 29.894 30.300 -0.032 0.000 0.856 40 R HN 0.668 nan 8.270 nan 0.000 0.437 41 E N 0.043 120.187 120.200 -0.093 0.000 2.051 41 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 41 E C 1.521 178.019 176.600 -0.170 0.000 0.991 41 E CA 1.728 58.077 56.400 -0.084 0.000 0.799 41 E CB 0.060 29.706 29.700 -0.091 0.000 0.748 41 E HN 0.210 nan 8.360 nan 0.000 0.449 42 T N 2.132 116.491 114.554 -0.324 0.000 2.607 42 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 42 T C 1.852 176.011 174.700 -0.901 0.000 1.049 42 T CA 1.618 63.358 62.100 -0.599 0.000 1.162 42 T CB -0.461 67.963 68.868 -0.740 0.000 0.863 42 T HN 0.148 nan 8.240 nan 0.000 0.424 43 L N 0.438 121.170 121.223 -0.819 0.000 1.989 43 L HA 0.018 4.358 4.340 -0.000 0.000 0.211 43 L C 1.987 178.543 176.870 -0.525 0.000 1.071 43 L CA 1.792 56.148 54.840 -0.808 0.000 0.749 43 L CB -1.001 40.517 42.059 -0.901 0.000 0.890 43 L HN 0.222 nan 8.230 nan 0.000 0.431 44 F N -0.135 119.683 119.950 -0.219 0.000 2.407 44 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 44 F C 2.249 178.034 175.800 -0.024 0.000 1.097 44 F CA 0.818 58.770 58.000 -0.081 0.000 1.422 44 F CB -0.736 38.208 39.000 -0.093 0.000 1.067 44 F HN 0.239 nan 8.300 nan 0.000 0.539 45 N N -0.450 118.273 118.700 0.038 0.000 2.084 45 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 45 N C 1.721 177.347 175.510 0.194 0.000 1.030 45 N CA 1.299 54.394 53.050 0.075 0.000 0.849 45 N CB -0.656 37.839 38.487 0.012 0.000 1.012 45 N HN 0.215 nan 8.380 nan 0.000 0.423 46 W N 1.349 122.644 121.300 -0.009 0.000 2.342 46 W HA 0.034 4.694 4.660 -0.000 0.000 0.297 46 W C 1.788 178.316 176.519 0.015 0.000 1.213 46 W CA 0.403 57.747 57.345 -0.002 0.000 1.251 46 W CB -1.005 28.447 29.460 -0.013 0.000 1.136 46 W HN 0.072 nan 8.180 nan 0.000 0.526 47 L N -0.140 121.207 121.223 0.207 0.000 2.592 47 L HA 0.169 4.509 4.340 -0.000 0.000 0.227 47 L C 2.412 179.372 176.870 0.151 0.000 1.127 47 L CA 0.327 55.249 54.840 0.138 0.000 0.884 47 L CB -0.989 41.093 42.059 0.038 0.000 1.065 47 L HN -0.173 nan 8.230 nan 0.000 0.457 48 A N 1.608 124.524 122.820 0.160 0.000 1.917 48 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 48 A C -0.093 177.559 177.584 0.113 0.000 1.182 48 A CA 1.724 53.847 52.037 0.144 0.000 0.633 48 A CB -1.607 17.467 19.000 0.123 0.000 0.819 48 A HN 0.335 nan 8.150 nan 0.000 0.448 49 P HA 0.047 nan 4.420 nan 0.000 0.241 49 P C 0.839 178.178 177.300 0.065 0.000 1.191 49 P CA 1.272 64.417 63.100 0.074 0.000 0.771 49 P CB 0.038 31.778 31.700 0.066 0.000 0.929 50 V N -5.002 114.957 119.914 0.076 0.000 3.556 50 V HA 0.218 4.338 4.120 -0.000 0.000 0.287 50 V C 1.798 177.940 176.094 0.079 0.000 1.422 50 V CA -0.067 62.268 62.300 0.059 0.000 1.038 50 V CB -0.687 31.157 31.823 0.035 0.000 0.850 50 V HN -0.133 nan 8.190 nan 0.000 0.437 51 I N 1.571 122.212 120.570 0.118 0.000 2.394 51 I HA 0.051 4.221 4.170 -0.000 0.000 0.251 51 I C 1.030 177.232 176.117 0.141 0.000 1.136 51 I CA 1.171 62.567 61.300 0.160 0.000 1.425 51 I CB 0.146 38.292 38.000 0.244 0.000 1.079 51 I HN 0.159 nan 8.210 nan 0.000 0.425 52 V N 3.394 123.380 119.914 0.121 0.000 2.529 52 V HA 0.029 4.149 4.120 -0.000 0.000 0.292 52 V C 0.620 176.762 176.094 0.081 0.000 1.028 52 V CA 0.433 62.801 62.300 0.113 0.000 1.074 52 V CB 0.213 32.080 31.823 0.073 0.000 0.958 52 V HN 0.522 nan 8.190 nan 0.000 0.481 53 D N 1.407 121.859 120.400 0.087 0.000 3.076 53 D HA -0.174 4.466 4.640 -0.000 0.000 0.218 53 D C 0.491 176.828 176.300 0.061 0.000 1.156 53 D CA 1.390 55.428 54.000 0.064 0.000 0.921 53 D CB -1.027 39.796 40.800 0.037 0.000 1.113 53 D HN 0.921 nan 8.370 nan 0.000 0.418 54 A N -0.104 122.763 122.820 0.079 0.000 2.351 54 A HA 0.424 4.744 4.320 -0.000 0.000 0.257 54 A C 0.597 178.234 177.584 0.087 0.000 1.087 54 A CA -0.016 52.064 52.037 0.072 0.000 0.798 54 A CB 0.748 19.796 19.000 0.081 0.000 1.033 54 A HN -0.016 nan 8.150 nan 0.000 0.488 55 Q N 0.378 120.227 119.800 0.081 0.000 2.331 55 Q HA 0.407 4.747 4.340 -0.000 0.000 0.257 55 Q C -1.236 174.892 176.000 0.213 0.000 0.957 55 Q CA -0.007 55.872 55.803 0.127 0.000 0.923 55 Q CB 1.053 29.818 28.738 0.044 0.000 1.212 55 Q HN 0.743 nan 8.270 nan 0.000 0.443 56 C N 3.735 123.177 119.300 0.237 0.000 2.411 56 C HA 0.674 5.134 4.460 -0.000 0.000 0.330 56 C C -0.267 174.749 174.990 0.044 0.000 1.224 56 C CA -1.028 58.054 59.018 0.107 0.000 1.770 56 C CB 0.774 28.593 27.740 0.131 0.000 2.297 56 C HN 0.739 nan 8.230 nan 0.000 0.507 57 L N 3.032 124.104 121.223 -0.252 0.000 2.349 57 L HA 0.596 4.936 4.340 -0.000 0.000 0.278 57 L C -0.857 175.924 176.870 -0.148 0.000 0.996 57 L CA 0.370 54.985 54.840 -0.375 0.000 0.825 57 L CB 1.065 42.631 42.059 -0.821 0.000 1.243 57 L HN 0.655 nan 8.230 nan 0.000 0.412 58 D N 3.626 124.026 120.400 0.001 0.000 2.392 58 D HA 0.238 4.878 4.640 -0.000 0.000 0.228 58 D C 0.441 176.694 176.300 -0.079 0.000 1.074 58 D CA -0.292 53.804 54.000 0.161 0.000 0.838 58 D CB 1.589 42.566 40.800 0.295 0.000 1.067 58 D HN 0.759 nan 8.370 nan 0.000 0.511 59 C N 3.042 122.267 119.300 -0.124 0.000 2.464 59 C HA 0.121 4.581 4.460 -0.000 0.000 0.278 59 C C 0.755 175.273 174.990 -0.787 0.000 1.375 59 C CA -0.076 58.643 59.018 -0.499 0.000 1.761 59 C CB -0.968 26.444 27.740 -0.546 0.000 1.944 59 C HN 0.520 nan 8.230 nan 0.000 0.509 60 F N -0.306 119.629 119.950 -0.026 0.000 2.769 60 F HA 0.473 5.000 4.527 -0.000 0.000 0.358 60 F C 0.881 176.675 175.800 -0.010 0.000 1.285 60 F CA -0.272 57.705 58.000 -0.038 0.000 1.199 60 F CB 0.039 39.011 39.000 -0.047 0.000 1.558 60 F HN -0.016 nan 8.300 nan 0.000 0.583 61 A N 1.271 124.133 122.820 0.069 0.000 2.067 61 A HA 0.416 4.736 4.320 -0.000 0.000 0.217 61 A C 1.987 179.596 177.584 0.042 0.000 1.156 61 A CA 1.013 53.080 52.037 0.049 0.000 0.683 61 A CB -0.888 18.109 19.000 -0.005 0.000 0.808 61 A HN 1.003 nan 8.150 nan 0.000 0.455 62 G N -0.613 108.215 108.800 0.046 0.000 2.634 62 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.309 62 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.309 62 G C 0.990 175.895 174.900 0.008 0.000 1.265 62 G CA 0.620 45.740 45.100 0.033 0.000 0.998 62 G HN 0.749 nan 8.290 nan 0.000 0.551 63 S N 1.587 117.287 115.700 -0.000 0.000 2.650 63 S HA 0.379 4.849 4.470 -0.000 0.000 0.219 63 S C 1.810 176.394 174.600 -0.027 0.000 0.960 63 S CA 1.535 59.725 58.200 -0.017 0.000 0.925 63 S CB -0.311 62.877 63.200 -0.020 0.000 0.775 63 S HN 2.409 nan 8.310 nan 0.000 0.525 64 G N 0.876 109.664 108.800 -0.020 0.000 2.136 64 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 64 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 64 G C 0.916 175.787 174.900 -0.048 0.000 0.989 64 G CA 0.334 45.419 45.100 -0.026 0.000 0.682 64 G HN 0.604 nan 8.290 nan 0.000 0.522 65 A N -0.304 122.485 122.820 -0.053 0.000 1.915 65 A HA -0.017 4.303 4.320 -0.000 0.000 0.220 65 A C 2.456 179.965 177.584 -0.124 0.000 1.198 65 A CA 2.122 54.112 52.037 -0.078 0.000 0.647 65 A CB -0.329 18.637 19.000 -0.058 0.000 0.825 65 A HN 0.923 nan 8.150 nan 0.000 0.456 66 L N -1.744 119.389 121.223 -0.149 0.000 2.127 66 L HA 0.039 4.379 4.340 -0.000 0.000 0.203 66 L C 2.886 179.630 176.870 -0.209 0.000 1.080 66 L CA 0.866 55.538 54.840 -0.281 0.000 0.768 66 L CB -0.994 40.672 42.059 -0.654 0.000 0.924 66 L HN 0.481 nan 8.230 nan 0.000 0.444 67 G N 0.611 109.366 108.800 -0.075 0.000 2.421 67 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 67 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 67 G C 1.635 176.577 174.900 0.069 0.000 1.171 67 G CA 0.504 45.659 45.100 0.092 0.000 0.775 67 G HN 0.179 nan 8.290 nan 0.000 0.543 68 L N -0.005 121.226 121.223 0.014 0.000 2.093 68 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 68 L C 2.741 179.622 176.870 0.019 0.000 1.085 68 L CA 1.282 56.158 54.840 0.061 0.000 0.755 68 L CB -0.320 41.742 42.059 0.004 0.000 0.904 68 L HN 0.210 nan 8.230 nan 0.000 0.435 69 E N 0.616 120.700 120.200 -0.193 0.000 2.077 69 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 69 E C 2.183 178.460 176.600 -0.539 0.000 0.989 69 E CA 1.492 57.594 56.400 -0.497 0.000 0.800 69 E CB -0.128 29.016 29.700 -0.926 0.000 0.746 69 E HN 0.366 nan 8.360 nan 0.000 0.452 70 A N 0.451 123.113 122.820 -0.262 0.000 1.883 70 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 70 A C 2.315 179.902 177.584 0.006 0.000 1.186 70 A CA 1.735 53.842 52.037 0.116 0.000 0.624 70 A CB -0.918 18.365 19.000 0.471 0.000 0.822 70 A HN 0.332 nan 8.150 nan 0.000 0.444 71 L N -0.882 120.349 121.223 0.014 0.000 2.017 71 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 71 L C 2.882 179.475 176.870 -0.462 0.000 1.073 71 L CA 1.556 56.364 54.840 -0.054 0.000 0.745 71 L CB -0.598 41.581 42.059 0.200 0.000 0.894 71 L HN 0.464 nan 8.230 nan 0.000 0.432 72 S N -0.088 115.317 115.700 -0.490 0.000 2.387 72 S HA -0.173 4.296 4.470 -0.000 0.000 0.230 72 S C 1.800 175.851 174.600 -0.915 0.000 1.035 72 S CA 1.351 59.025 58.200 -0.876 0.000 1.014 72 S CB -0.145 62.860 63.200 -0.325 0.000 0.836 72 S HN 0.352 nan 8.310 nan 0.000 0.466 73 R N -0.542 119.629 120.500 -0.548 0.000 2.449 73 R HA 0.181 4.520 4.340 -0.000 0.000 0.262 73 R C -0.556 175.666 176.300 -0.130 0.000 1.006 73 R CA 0.047 55.943 56.100 -0.340 0.000 1.104 73 R CB -0.145 30.079 30.300 -0.126 0.000 1.206 73 R HN 0.480 nan 8.270 nan 0.000 0.538 74 Y N -2.234 117.972 120.300 -0.157 0.000 4.366 74 Y HA -0.292 4.258 4.550 -0.000 0.000 0.236 74 Y C 0.511 176.392 175.900 -0.030 0.000 1.142 74 Y CA -0.010 58.024 58.100 -0.110 0.000 2.024 74 Y CB -2.463 35.941 38.460 -0.093 0.000 1.621 74 Y HN 0.271 nan 8.280 nan 0.000 0.694 75 A N 0.645 123.516 122.820 0.085 0.000 2.555 75 A HA 0.506 4.825 4.320 -0.000 0.000 0.233 75 A C 1.544 179.187 177.584 0.099 0.000 1.060 75 A CA 0.521 52.627 52.037 0.115 0.000 0.759 75 A CB 0.298 19.386 19.000 0.146 0.000 0.995 75 A HN 0.996 nan 8.150 nan 0.000 0.506 76 A N 1.969 124.847 122.820 0.096 0.000 1.933 76 A HA 0.409 4.729 4.320 -0.000 0.000 0.218 76 A C 1.277 178.915 177.584 0.090 0.000 1.175 76 A CA 1.847 53.934 52.037 0.083 0.000 0.628 76 A CB -0.496 18.543 19.000 0.066 0.000 0.814 76 A HN 2.260 nan 8.150 nan 0.000 0.444 77 G N -3.364 105.501 108.800 0.109 0.000 2.601 77 G HA2 0.653 4.613 3.960 -0.000 0.000 0.291 77 G HA3 0.653 4.613 3.960 -0.000 0.000 0.291 77 G C -1.336 173.658 174.900 0.157 0.000 1.456 77 G CA 0.113 45.287 45.100 0.124 0.000 0.804 77 G HN 1.196 nan 8.290 nan 0.000 0.499 78 A N 0.129 123.044 122.820 0.158 0.000 2.459 78 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 78 A C -0.425 177.240 177.584 0.134 0.000 1.039 78 A CA -0.496 51.641 52.037 0.167 0.000 0.698 78 A CB 1.773 20.879 19.000 0.176 0.000 1.261 78 A HN 0.885 nan 8.150 nan 0.000 0.405 79 T N 3.229 117.856 114.554 0.121 0.000 2.749 79 T HA 0.561 4.910 4.350 -0.000 0.000 0.287 79 T C -0.398 174.263 174.700 -0.065 0.000 0.970 79 T CA 0.012 62.139 62.100 0.045 0.000 0.980 79 T CB 0.070 69.011 68.868 0.122 0.000 0.924 79 T HN 0.439 nan 8.240 nan 0.000 0.456 80 L N 5.024 126.191 121.223 -0.093 0.000 2.325 80 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 80 L C -0.555 176.180 176.870 -0.226 0.000 1.004 80 L CA -1.056 53.717 54.840 -0.112 0.000 0.823 80 L CB 1.252 43.288 42.059 -0.038 0.000 1.236 80 L HN 0.390 nan 8.230 nan 0.000 0.415 81 I N 2.577 122.966 120.570 -0.303 0.000 2.362 81 I HA 0.547 4.717 4.170 -0.000 0.000 0.289 81 I C -0.088 175.883 176.117 -0.244 0.000 0.994 81 I CA -0.303 60.754 61.300 -0.406 0.000 1.158 81 I CB 1.429 39.045 38.000 -0.639 0.000 1.315 81 I HN 0.603 nan 8.210 nan 0.000 0.451 85 R N 2.599 123.105 120.500 0.010 0.000 2.081 85 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 85 R C 1.794 178.094 176.300 0.000 0.000 1.131 85 R CA 1.880 57.983 56.100 0.004 0.000 0.960 85 R CB -0.049 30.256 30.300 0.007 0.000 0.856 85 R HN 0.408 nan 8.270 nan 0.000 0.436 86 A N 0.353 123.175 122.820 0.002 0.000 1.902 86 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 86 A C 2.269 179.849 177.584 -0.006 0.000 1.181 86 A CA 1.609 53.645 52.037 -0.002 0.000 0.623 86 A CB -0.503 18.497 19.000 0.001 0.000 0.818 86 A HN 0.230 nan 8.150 nan 0.000 0.443 87 V N 0.867 120.779 119.914 -0.003 0.000 2.307 87 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 87 V C 3.022 179.108 176.094 -0.014 0.000 1.045 87 V CA 2.373 64.669 62.300 -0.007 0.000 1.024 87 V CB -0.976 30.848 31.823 0.001 0.000 0.651 87 V HN 0.817 nan 8.190 nan 0.000 0.449 88 S N -0.386 115.306 115.700 -0.015 0.000 2.382 88 S HA -0.285 4.185 4.470 -0.000 0.000 0.228 88 S C 1.921 176.508 174.600 -0.023 0.000 1.027 88 S CA 1.585 59.771 58.200 -0.023 0.000 0.991 88 S CB -0.485 62.698 63.200 -0.028 0.000 0.823 88 S HN 0.670 nan 8.310 nan 0.000 0.469 89 Q N 0.361 120.150 119.800 -0.018 0.000 2.084 89 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 89 Q C 2.441 178.426 176.000 -0.024 0.000 0.978 89 Q CA 1.767 57.559 55.803 -0.018 0.000 0.844 89 Q CB -0.269 28.461 28.738 -0.013 0.000 0.898 89 Q HN 0.588 nan 8.270 nan 0.000 0.426 90 Q N 0.639 120.424 119.800 -0.025 0.000 2.167 90 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 90 Q C 1.780 177.754 176.000 -0.043 0.000 0.970 90 Q CA 0.895 56.678 55.803 -0.033 0.000 0.855 90 Q CB -0.225 28.494 28.738 -0.030 0.000 0.911 90 Q HN 0.300 nan 8.270 nan 0.000 0.438 91 L N -0.145 121.054 121.223 -0.039 0.000 2.017 91 L HA -0.085 4.254 4.340 -0.000 0.000 0.208 91 L C 1.939 178.780 176.870 -0.050 0.000 1.073 91 L CA 1.658 56.471 54.840 -0.046 0.000 0.745 91 L CB -0.584 41.453 42.059 -0.037 0.000 0.894 91 L HN 0.349 nan 8.230 nan 0.000 0.432 92 I N -0.564 119.982 120.570 -0.040 0.000 2.208 92 I HA -0.353 3.816 4.170 -0.000 0.000 0.245 92 I C 2.429 178.518 176.117 -0.047 0.000 1.097 92 I CA 1.532 62.811 61.300 -0.036 0.000 1.363 92 I CB -0.436 37.549 38.000 -0.025 0.000 1.051 92 I HN 0.264 nan 8.210 nan 0.000 0.413 93 K N 0.437 120.808 120.400 -0.049 0.000 2.057 93 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 93 K C 1.898 178.448 176.600 -0.083 0.000 1.049 93 K CA 1.319 57.572 56.287 -0.057 0.000 0.931 93 K CB -0.230 32.241 32.500 -0.049 0.000 0.714 93 K HN 0.280 nan 8.250 nan 0.000 0.440 94 N N 1.142 119.785 118.700 -0.095 0.000 2.188 94 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 94 N C 1.829 177.226 175.510 -0.188 0.000 1.018 94 N CA 0.889 53.857 53.050 -0.138 0.000 0.858 94 N CB -0.204 38.206 38.487 -0.129 0.000 0.989 94 N HN 0.104 nan 8.380 nan 0.000 0.426 95 L N 0.563 121.698 121.223 -0.146 0.000 2.042 95 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 95 L C 2.342 179.129 176.870 -0.139 0.000 1.076 95 L CA 1.230 55.981 54.840 -0.148 0.000 0.749 95 L CB -0.455 41.562 42.059 -0.070 0.000 0.893 95 L HN 0.121 nan 8.230 nan 0.000 0.432 96 A N -0.618 122.141 122.820 -0.101 0.000 1.902 96 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 96 A C 2.357 179.877 177.584 -0.107 0.000 1.181 96 A CA 2.248 54.237 52.037 -0.080 0.000 0.623 96 A CB -0.919 18.048 19.000 -0.055 0.000 0.818 96 A HN 0.373 nan 8.150 nan 0.000 0.443 97 T N 0.499 114.971 114.554 -0.137 0.000 2.720 97 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 97 T C 1.634 176.198 174.700 -0.227 0.000 1.037 97 T CA 1.592 63.598 62.100 -0.157 0.000 1.144 97 T CB -0.358 68.413 68.868 -0.161 0.000 0.864 97 T HN 0.367 nan 8.240 nan 0.000 0.444 98 L N 0.243 121.253 121.223 -0.356 0.000 2.478 98 L HA 0.106 4.446 4.340 -0.000 0.000 0.223 98 L C 0.681 177.365 176.870 -0.309 0.000 1.140 98 L CA 0.336 54.815 54.840 -0.603 0.000 0.842 98 L CB -0.191 41.168 42.059 -1.168 0.000 0.953 98 L HN 0.164 nan 8.230 nan 0.000 0.452 99 K N -0.715 119.599 120.400 -0.144 0.000 3.129 99 K HA -0.175 4.145 4.320 -0.000 0.000 0.273 99 K C 0.181 176.826 176.600 0.075 0.000 1.123 99 K CA 0.822 57.103 56.287 -0.010 0.000 0.800 99 K CB -2.081 30.440 32.500 0.036 0.000 1.238 99 K HN 0.310 nan 8.250 nan 0.000 0.492 100 A N 0.374 123.219 122.820 0.042 0.000 2.391 100 A HA 0.537 4.856 4.320 -0.000 0.000 0.316 100 A C 1.457 179.104 177.584 0.104 0.000 1.381 100 A CA 0.390 52.529 52.037 0.169 0.000 0.998 100 A CB 0.500 19.619 19.000 0.198 0.000 1.147 100 A HN 0.373 nan 8.150 nan 0.000 0.545 101 G N 1.899 110.763 108.800 0.107 0.000 2.551 101 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 101 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 101 G C 0.741 175.690 174.900 0.082 0.000 1.137 101 G CA 0.442 45.587 45.100 0.076 0.000 0.798 101 G HN 0.805 nan 8.290 nan 0.000 0.536 102 N N 0.990 119.752 118.700 0.104 0.000 2.652 102 N HA 0.435 5.175 4.740 -0.000 0.000 0.259 102 N C -0.057 175.518 175.510 0.108 0.000 1.240 102 N CA 0.370 53.480 53.050 0.101 0.000 0.951 102 N CB 0.148 38.696 38.487 0.102 0.000 1.281 102 N HN 0.260 nan 8.380 nan 0.000 0.507 103 A N 0.519 123.396 122.820 0.095 0.000 2.609 103 A HA 0.823 5.143 4.320 -0.000 0.000 0.291 103 A C -0.888 176.735 177.584 0.066 0.000 1.096 103 A CA -1.075 51.015 52.037 0.089 0.000 0.684 103 A CB 1.700 20.754 19.000 0.089 0.000 1.282 103 A HN 0.517 nan 8.150 nan 0.000 0.412 104 R N -0.382 120.152 120.500 0.056 0.000 2.740 104 R HA 0.797 5.137 4.340 -0.000 0.000 0.273 104 R C -1.973 174.325 176.300 -0.004 0.000 0.998 104 R CA -0.771 55.349 56.100 0.034 0.000 0.900 104 R CB 1.755 32.087 30.300 0.054 0.000 1.223 104 R HN 0.420 nan 8.270 nan 0.000 0.466 105 V N 2.352 122.253 119.914 -0.021 0.000 2.409 105 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 105 V C -0.581 175.469 176.094 -0.073 0.000 1.020 105 V CA -0.795 61.471 62.300 -0.057 0.000 0.848 105 V CB 1.767 33.565 31.823 -0.041 0.000 0.990 105 V HN 0.581 nan 8.190 nan 0.000 0.430 106 V N 4.623 124.448 119.914 -0.149 0.000 2.357 106 V HA 0.334 4.453 4.120 -0.000 0.000 0.284 106 V C 0.439 176.449 176.094 -0.140 0.000 1.018 106 V CA -0.622 61.589 62.300 -0.149 0.000 0.841 106 V CB 1.501 33.151 31.823 -0.288 0.000 0.991 106 V HN 0.932 nan 8.190 nan 0.000 0.437 107 N N 3.599 122.261 118.700 -0.064 0.000 2.508 107 N HA 0.246 4.986 4.740 -0.000 0.000 0.253 107 N C -0.499 174.994 175.510 -0.028 0.000 1.145 107 N CA 0.134 53.157 53.050 -0.045 0.000 0.973 107 N CB 0.410 38.886 38.487 -0.018 0.000 1.305 107 N HN 0.674 nan 8.380 nan 0.000 0.506 108 S N 2.552 118.219 115.700 -0.056 0.000 2.547 108 S HA 0.175 4.644 4.470 -0.000 0.000 0.270 108 S C -1.040 173.536 174.600 -0.039 0.000 1.150 108 S CA -1.037 57.154 58.200 -0.015 0.000 0.850 108 S CB 0.925 64.147 63.200 0.036 0.000 1.118 108 S HN 0.725 nan 8.310 nan 0.000 0.461 109 N N 2.304 121.008 118.700 0.006 0.000 2.453 109 N HA 0.399 5.138 4.740 -0.000 0.000 0.253 109 N C 0.444 175.923 175.510 -0.052 0.000 1.252 109 N CA -0.189 52.863 53.050 0.003 0.000 0.917 109 N CB 0.919 39.442 38.487 0.061 0.000 1.117 109 N HN 0.660 nan 8.380 nan 0.000 0.442 113 F N 3.469 123.377 119.950 -0.069 0.000 2.134 113 F HA 0.195 4.721 4.527 -0.000 0.000 0.299 113 F C 1.560 177.314 175.800 -0.076 0.000 1.097 113 F CA 1.565 59.512 58.000 -0.087 0.000 1.264 113 F CB -0.217 38.667 39.000 -0.193 0.000 1.001 113 F HN 0.145 nan 8.300 nan 0.000 0.479 114 L N 0.003 121.112 121.223 -0.190 0.000 2.492 114 L HA 0.134 4.474 4.340 -0.000 0.000 0.223 114 L C 1.455 178.396 176.870 0.119 0.000 1.132 114 L CA 0.374 55.055 54.840 -0.265 0.000 0.850 114 L CB -0.727 41.145 42.059 -0.312 0.000 0.966 114 L HN 0.156 nan 8.230 nan 0.000 0.454 115 A N 1.349 124.202 122.820 0.055 0.000 3.118 115 A HA 0.348 4.668 4.320 -0.000 0.000 0.256 115 A C 0.155 177.781 177.584 0.069 0.000 1.667 115 A CA -0.124 51.962 52.037 0.082 0.000 1.338 115 A CB -0.612 18.417 19.000 0.048 0.000 1.127 115 A HN 0.512 nan 8.150 nan 0.000 0.634 116 Q N -0.920 118.950 119.800 0.116 0.000 2.756 116 Q HA 0.372 4.712 4.340 -0.000 0.000 0.295 116 Q C -0.926 175.048 176.000 -0.044 0.000 0.903 116 Q CA -1.121 54.699 55.803 0.029 0.000 0.768 116 Q CB 0.653 29.387 28.738 -0.006 0.000 1.472 116 Q HN 0.158 nan 8.270 nan 0.000 0.416 117 K N 0.449 120.764 120.400 -0.142 0.000 2.436 117 K HA 0.288 4.608 4.320 -0.000 0.000 0.282 117 K C -0.099 176.163 176.600 -0.563 0.000 1.044 117 K CA 0.737 56.858 56.287 -0.277 0.000 1.028 117 K CB 0.216 32.600 32.500 -0.193 0.000 0.919 117 K HN 0.656 nan 8.250 nan 0.000 0.474 118 G N 1.585 109.769 108.800 -1.026 0.000 2.568 118 G HA2 0.274 4.234 3.960 -0.000 0.000 0.293 118 G HA3 0.274 4.234 3.960 -0.000 0.000 0.293 118 G C -0.927 173.382 174.900 -0.986 0.000 1.347 118 G CA -0.396 43.516 45.100 -1.981 0.000 1.039 118 G HN 0.524 nan 8.290 nan 0.000 0.523 119 T N 0.874 114.976 114.554 -0.753 0.000 2.876 119 T HA 0.638 4.988 4.350 -0.000 0.000 0.289 119 T C -2.741 171.858 174.700 -0.168 0.000 1.014 119 T CA -1.638 60.289 62.100 -0.289 0.000 0.986 119 T CB 2.080 70.868 68.868 -0.134 0.000 1.021 119 T HN 0.297 nan 8.240 nan 0.000 0.458 120 P HA 0.333 nan 4.420 nan 0.000 0.276 120 P C -1.238 175.896 177.300 -0.276 0.000 1.230 120 P CA -0.166 62.871 63.100 -0.104 0.000 0.776 120 P CB 0.401 32.049 31.700 -0.086 0.000 0.888 121 H N 1.347 120.465 119.070 0.080 0.000 2.622 121 H HA 0.286 4.842 4.556 -0.000 0.000 0.363 121 H C 1.035 176.357 175.328 -0.010 0.000 1.151 121 H CA -0.512 55.565 56.048 0.048 0.000 1.184 121 H CB 1.145 30.948 29.762 0.068 0.000 1.643 121 H HN 0.341 nan 8.280 nan 0.000 0.531 122 N N 1.340 120.081 118.700 0.067 0.000 2.299 122 N HA 0.116 4.856 4.740 -0.000 0.000 0.187 122 N C -0.476 175.007 175.510 -0.044 0.000 1.099 122 N CA 0.305 53.353 53.050 -0.004 0.000 0.867 122 N CB 1.111 39.587 38.487 -0.019 0.000 0.974 122 N HN 0.408 nan 8.380 nan 0.000 0.477 123 I N 0.803 121.340 120.570 -0.055 0.000 2.478 123 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 123 I C -1.186 174.715 176.117 -0.361 0.000 1.042 123 I CA -1.092 60.087 61.300 -0.202 0.000 1.067 123 I CB 2.399 40.276 38.000 -0.206 0.000 1.233 123 I HN -0.265 nan 8.210 nan 0.000 0.431 124 V N 6.150 125.827 119.914 -0.396 0.000 2.656 124 V HA 0.492 4.612 4.120 -0.000 0.000 0.307 124 V C -0.848 175.037 176.094 -0.348 0.000 1.051 124 V CA -0.646 61.424 62.300 -0.383 0.000 0.893 124 V CB 2.034 33.775 31.823 -0.136 0.000 0.999 124 V HN 0.352 nan 8.190 nan 0.000 0.426 125 F N 3.037 123.070 119.950 0.138 0.000 2.444 125 F HA 0.691 5.218 4.527 -0.000 0.000 0.342 125 F C 0.058 176.004 175.800 0.242 0.000 1.121 125 F CA -1.069 57.088 58.000 0.262 0.000 0.997 125 F CB 1.808 40.956 39.000 0.247 0.000 1.130 125 F HN 0.138 nan 8.300 nan 0.000 0.454 126 V N 2.171 122.352 119.914 0.445 0.000 2.380 126 V HA 0.264 4.384 4.120 -0.000 0.000 0.268 126 V C -1.152 175.065 176.094 0.205 0.000 1.008 126 V CA -0.508 62.002 62.300 0.351 0.000 0.823 126 V CB 1.098 33.084 31.823 0.272 0.000 1.053 126 V HN 0.693 nan 8.190 nan 0.000 0.446 127 D N 5.808 126.357 120.400 0.248 0.000 2.404 127 D HA 0.415 5.055 4.640 -0.000 0.000 0.267 127 D C -2.341 173.815 176.300 -0.241 0.000 1.194 127 D CA -1.594 52.427 54.000 0.034 0.000 0.910 127 D CB 2.102 43.000 40.800 0.163 0.000 1.090 127 D HN 0.292 nan 8.370 nan 0.000 0.511 128 P HA 0.227 nan 4.420 nan 0.000 0.274 128 P C -1.878 174.997 177.300 -0.708 0.000 1.246 128 P CA -1.106 61.179 63.100 -1.357 0.000 0.795 128 P CB 0.684 31.581 31.700 -1.339 0.000 1.006 129 P HA 0.004 nan 4.420 nan 0.000 0.223 129 P C -0.093 177.124 177.300 -0.137 0.000 1.151 129 P CA 1.209 64.122 63.100 -0.311 0.000 0.787 129 P CB -0.075 31.504 31.700 -0.201 0.000 0.788 130 F N -2.458 117.379 119.950 -0.187 0.000 2.693 130 F HA 0.551 5.078 4.527 -0.000 0.000 0.309 130 F C 1.108 176.816 175.800 -0.154 0.000 1.129 130 F CA -1.377 56.544 58.000 -0.132 0.000 0.948 130 F CB 0.570 39.520 39.000 -0.085 0.000 1.315 130 F HN -0.367 nan 8.300 nan 0.000 0.447 131 R N 0.372 120.925 120.500 0.088 0.000 2.167 131 R HA 0.407 4.746 4.340 -0.000 0.000 0.201 131 R C -0.091 176.255 176.300 0.076 0.000 1.024 131 R CA -0.174 55.916 56.100 -0.017 0.000 1.053 131 R CB -0.009 30.272 30.300 -0.032 0.000 0.987 131 R HN 0.562 nan 8.270 nan 0.000 0.493 132 R N 1.270 121.870 120.500 0.167 0.000 2.370 132 R HA 0.210 4.550 4.340 -0.000 0.000 0.309 132 R C 0.214 176.636 176.300 0.203 0.000 1.059 132 R CA 0.878 57.056 56.100 0.129 0.000 0.981 132 R CB 0.907 31.251 30.300 0.073 0.000 0.972 132 R HN 0.661 nan 8.270 nan 0.000 0.437 133 G N 2.054 110.931 108.800 0.128 0.000 2.213 133 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.236 133 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.236 133 G C 0.483 175.454 174.900 0.119 0.000 0.991 133 G CA -0.073 45.113 45.100 0.144 0.000 0.629 133 G HN 0.543 nan 8.290 nan 0.000 0.517 134 L N -1.314 119.947 121.223 0.063 0.000 2.663 134 L HA 0.408 4.747 4.340 -0.000 0.000 0.218 134 L C 2.301 179.177 176.870 0.010 0.000 1.043 134 L CA 0.592 55.434 54.840 0.002 0.000 0.876 134 L CB -0.410 41.520 42.059 -0.215 0.000 1.263 134 L HN 0.189 nan 8.230 nan 0.000 0.486 135 L N 0.881 122.085 121.223 -0.032 0.000 2.049 135 L HA -0.060 4.280 4.340 -0.000 0.000 0.203 135 L C 2.263 179.117 176.870 -0.026 0.000 1.074 135 L CA 1.970 56.791 54.840 -0.033 0.000 0.749 135 L CB -0.382 41.640 42.059 -0.062 0.000 0.907 135 L HN 0.153 nan 8.230 nan 0.000 0.439 136 E N -0.386 119.789 120.200 -0.042 0.000 2.077 136 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 136 E C 1.983 178.546 176.600 -0.062 0.000 0.989 136 E CA 1.388 57.742 56.400 -0.076 0.000 0.800 136 E CB 0.039 29.700 29.700 -0.065 0.000 0.746 136 E HN 0.523 nan 8.360 nan 0.000 0.452 137 E N -0.665 119.524 120.200 -0.018 0.000 2.077 137 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 137 E C 2.077 178.686 176.600 0.015 0.000 0.989 137 E CA 1.814 58.215 56.400 0.002 0.000 0.800 137 E CB -0.345 29.372 29.700 0.028 0.000 0.746 137 E HN 0.197 nan 8.360 nan 0.000 0.452 138 T N 0.707 115.286 114.554 0.042 0.000 2.737 138 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 138 T C 1.946 176.678 174.700 0.053 0.000 1.038 138 T CA 1.038 63.177 62.100 0.065 0.000 1.144 138 T CB -0.311 68.656 68.868 0.164 0.000 0.866 138 T HN 0.072 nan 8.240 nan 0.000 0.434 139 I N 1.557 122.131 120.570 0.007 0.000 2.151 139 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 139 I C 2.335 178.386 176.117 -0.110 0.000 1.080 139 I CA 1.562 62.809 61.300 -0.088 0.000 1.339 139 I CB -0.487 37.300 38.000 -0.355 0.000 1.039 139 I HN 0.331 nan 8.210 nan 0.000 0.409 140 N N 0.412 119.043 118.700 -0.115 0.000 2.120 140 N HA -0.152 4.587 4.740 -0.000 0.000 0.188 140 N C 1.917 177.452 175.510 0.041 0.000 1.024 140 N CA 0.972 53.980 53.050 -0.070 0.000 0.852 140 N CB -0.095 38.350 38.487 -0.069 0.000 1.003 140 N HN 0.237 nan 8.380 nan 0.000 0.424 141 L N 0.758 122.022 121.223 0.068 0.000 2.046 141 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 141 L C 2.111 179.144 176.870 0.270 0.000 1.077 141 L CA 0.823 55.745 54.840 0.136 0.000 0.747 141 L CB -0.422 41.689 42.059 0.087 0.000 0.896 141 L HN 0.218 nan 8.230 nan 0.000 0.432 142 L N -0.384 120.986 121.223 0.245 0.000 2.012 142 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 142 L C 2.672 179.797 176.870 0.425 0.000 1.073 142 L CA 1.382 56.451 54.840 0.381 0.000 0.748 142 L CB -0.456 41.809 42.059 0.344 0.000 0.891 142 L HN 0.269 nan 8.230 nan 0.000 0.431 143 E N 0.314 120.733 120.200 0.364 0.000 2.072 143 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 143 E C 1.683 178.403 176.600 0.200 0.000 0.985 143 E CA 1.551 58.149 56.400 0.329 0.000 0.801 143 E CB -0.023 29.841 29.700 0.274 0.000 0.750 143 E HN 0.362 nan 8.360 nan 0.000 0.452 144 D N -0.423 120.070 120.400 0.156 0.000 2.249 144 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 144 D C 0.618 176.962 176.300 0.074 0.000 0.962 144 D CA 0.531 54.588 54.000 0.094 0.000 0.860 144 D CB -0.067 40.775 40.800 0.069 0.000 0.955 144 D HN 0.142 nan 8.370 nan 0.000 0.505 145 N N -0.337 118.434 118.700 0.119 0.000 2.214 145 N HA 0.182 4.922 4.740 -0.000 0.000 0.214 145 N C 0.858 176.206 175.510 -0.270 0.000 1.132 145 N CA 0.380 53.424 53.050 -0.010 0.000 0.856 145 N CB 1.260 39.832 38.487 0.142 0.000 1.020 145 N HN 0.114 nan 8.380 nan 0.000 0.509 146 G N 0.260 108.984 108.800 -0.127 0.000 2.160 146 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 146 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 146 G C 0.488 175.257 174.900 -0.219 0.000 1.022 146 G CA -0.001 44.990 45.100 -0.182 0.000 0.741 146 G HN 0.452 nan 8.290 nan 0.000 0.508 147 W N -0.241 121.111 121.300 0.087 0.000 3.047 147 W HA 0.515 5.175 4.660 -0.000 0.000 0.250 147 W C 1.258 177.886 176.519 0.181 0.000 1.314 147 W CA -0.180 57.264 57.345 0.165 0.000 1.540 147 W CB 0.336 29.890 29.460 0.155 0.000 1.127 147 W HN 0.189 nan 8.180 nan 0.000 0.679 148 L N 0.598 121.968 121.223 0.246 0.000 2.322 148 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 148 L C 0.696 177.592 176.870 0.044 0.000 1.014 148 L CA -1.256 53.662 54.840 0.131 0.000 0.815 148 L CB 0.893 42.992 42.059 0.066 0.000 1.247 148 L HN -0.246 nan 8.230 nan 0.000 0.421 149 A N 1.601 124.429 122.820 0.014 0.000 2.475 149 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 149 A C 0.821 178.385 177.584 -0.034 0.000 1.087 149 A CA -0.149 51.874 52.037 -0.023 0.000 0.779 149 A CB 0.134 19.116 19.000 -0.030 0.000 1.036 149 A HN 0.848 nan 8.150 nan 0.000 0.506 150 D N -0.409 119.971 120.400 -0.034 0.000 2.158 150 D HA -0.062 4.578 4.640 -0.000 0.000 0.197 150 D C 0.423 176.696 176.300 -0.045 0.000 0.995 150 D CA 1.845 55.827 54.000 -0.032 0.000 0.846 150 D CB 0.155 40.938 40.800 -0.027 0.000 0.941 150 D HN 0.627 nan 8.370 nan 0.000 0.456 151 E N -0.612 119.556 120.200 -0.055 0.000 2.185 151 E HA 0.606 4.956 4.350 -0.000 0.000 0.261 151 E C -1.494 175.052 176.600 -0.091 0.000 0.879 151 E CA -0.653 55.702 56.400 -0.075 0.000 0.756 151 E CB 1.481 31.143 29.700 -0.064 0.000 1.152 151 E HN 0.035 nan 8.360 nan 0.000 0.416 152 A N 4.128 126.867 122.820 -0.135 0.000 2.572 152 A HA 0.760 5.080 4.320 -0.000 0.000 0.295 152 A C -1.677 175.785 177.584 -0.202 0.000 1.072 152 A CA -0.706 51.240 52.037 -0.153 0.000 0.691 152 A CB 1.107 20.011 19.000 -0.160 0.000 1.291 152 A HN 0.549 nan 8.150 nan 0.000 0.404 153 L N 1.433 122.555 121.223 -0.168 0.000 2.356 153 L HA 0.595 4.935 4.340 -0.000 0.000 0.277 153 L C -1.405 175.395 176.870 -0.116 0.000 0.996 153 L CA -0.509 54.248 54.840 -0.139 0.000 0.822 153 L CB 1.824 43.836 42.059 -0.080 0.000 1.256 153 L HN 0.593 nan 8.230 nan 0.000 0.413 154 I N 3.176 123.705 120.570 -0.068 0.000 2.382 154 I HA 0.248 4.418 4.170 -0.000 0.000 0.286 154 I C -0.620 175.663 176.117 0.277 0.000 1.002 154 I CA -0.419 60.890 61.300 0.016 0.000 1.135 154 I CB 1.315 39.222 38.000 -0.155 0.000 1.288 154 I HN 0.311 nan 8.210 nan 0.000 0.448 155 Y N 7.143 127.549 120.300 0.178 0.000 2.335 155 Y HA 0.632 5.181 4.550 -0.000 0.000 0.331 155 Y C -0.686 175.416 175.900 0.337 0.000 1.094 155 Y CA -0.432 57.850 58.100 0.303 0.000 1.253 155 Y CB 0.864 39.552 38.460 0.380 0.000 1.203 155 Y HN 0.327 nan 8.280 nan 0.000 0.508 156 V N 7.049 126.847 119.914 -0.194 0.000 2.525 156 V HA 0.269 4.389 4.120 -0.000 0.000 0.299 156 V C -0.771 175.070 176.094 -0.422 0.000 1.034 156 V CA -1.087 61.122 62.300 -0.151 0.000 0.863 156 V CB 1.623 33.589 31.823 0.238 0.000 0.999 156 V HN 0.785 nan 8.190 nan 0.000 0.423 157 E N 3.312 123.249 120.200 -0.437 0.000 2.166 157 E HA 0.751 5.101 4.350 -0.000 0.000 0.275 157 E C -0.582 175.883 176.600 -0.225 0.000 0.941 157 E CA -0.203 55.986 56.400 -0.352 0.000 0.784 157 E CB 1.611 31.171 29.700 -0.234 0.000 1.115 157 E HN 0.876 nan 8.360 nan 0.000 0.399 158 S N 3.079 118.640 115.700 -0.232 0.000 2.570 158 S HA 0.338 4.808 4.470 -0.000 0.000 0.270 158 S C -0.903 173.601 174.600 -0.160 0.000 1.149 158 S CA -1.187 56.919 58.200 -0.156 0.000 0.837 158 S CB 1.384 64.532 63.200 -0.088 0.000 1.124 158 S HN 0.409 nan 8.310 nan 0.000 0.465 159 E N 1.075 121.211 120.200 -0.106 0.000 2.360 159 E HA 0.112 4.462 4.350 -0.000 0.000 0.269 159 E C 1.079 177.644 176.600 -0.058 0.000 1.022 159 E CA -0.205 56.147 56.400 -0.080 0.000 0.887 159 E CB 1.542 31.214 29.700 -0.047 0.000 0.990 159 E HN 0.547 nan 8.360 nan 0.000 0.426 160 V N 3.728 123.613 119.914 -0.049 0.000 2.667 160 V HA -0.258 3.862 4.120 -0.000 0.000 0.252 160 V C 1.742 177.827 176.094 -0.014 0.000 1.065 160 V CA 2.172 64.457 62.300 -0.025 0.000 1.083 160 V CB -0.273 31.542 31.823 -0.013 0.000 0.692 160 V HN 0.703 nan 8.190 nan 0.000 0.468 161 E N 1.367 121.559 120.200 -0.014 0.000 2.019 161 E HA -0.244 4.106 4.350 -0.000 0.000 0.208 161 E C 0.882 177.477 176.600 -0.009 0.000 1.030 161 E CA 1.511 57.906 56.400 -0.009 0.000 0.856 161 E CB -0.796 28.898 29.700 -0.009 0.000 0.781 161 E HN 0.670 nan 8.360 nan 0.000 0.471 162 N N 1.172 119.865 118.700 -0.012 0.000 2.344 162 N HA 0.155 4.895 4.740 -0.000 0.000 0.236 162 N C 0.242 175.746 175.510 -0.011 0.000 1.279 162 N CA 0.703 53.747 53.050 -0.010 0.000 0.882 162 N CB 0.397 38.877 38.487 -0.011 0.000 1.110 162 N HN 0.395 nan 8.380 nan 0.000 0.436 163 G N -0.411 108.385 108.800 -0.008 0.000 2.683 163 G HA2 0.354 4.314 3.960 -0.000 0.000 0.260 163 G HA3 0.354 4.314 3.960 -0.000 0.000 0.260 163 G C -0.291 174.608 174.900 -0.002 0.000 1.238 163 G CA -0.514 44.583 45.100 -0.004 0.000 0.934 163 G HN 0.548 nan 8.290 nan 0.000 0.534 164 L N -0.888 120.341 121.223 0.010 0.000 2.436 164 L HA 0.526 4.866 4.340 -0.000 0.000 0.265 164 L C -1.904 174.976 176.870 0.016 0.000 1.168 164 L CA -1.877 52.980 54.840 0.028 0.000 0.815 164 L CB -0.270 41.825 42.059 0.060 0.000 1.109 164 L HN 0.257 nan 8.230 nan 0.000 0.462 165 P HA 0.160 nan 4.420 nan 0.000 0.271 165 P C -0.498 176.762 177.300 -0.066 0.000 1.218 165 P CA -0.344 62.733 63.100 -0.039 0.000 0.780 165 P CB 0.693 32.358 31.700 -0.059 0.000 0.901 166 T N -1.037 113.452 114.554 -0.108 0.000 2.909 166 T HA 0.511 4.861 4.350 -0.000 0.000 0.289 166 T C 0.311 174.840 174.700 -0.284 0.000 1.005 166 T CA -0.623 61.393 62.100 -0.139 0.000 1.084 166 T CB 0.771 69.572 68.868 -0.111 0.000 0.975 166 T HN 0.388 nan 8.240 nan 0.000 0.509 167 V N -0.602 119.103 119.914 -0.348 0.000 2.960 167 V HA 0.788 4.908 4.120 -0.000 0.000 0.315 167 V C -2.809 172.975 176.094 -0.517 0.000 1.087 167 V CA -2.777 59.135 62.300 -0.646 0.000 0.982 167 V CB 0.722 32.077 31.823 -0.780 0.000 1.039 167 V HN 0.790 nan 8.190 nan 0.000 0.437 168 P HA 0.279 nan 4.420 nan 0.000 0.270 168 P C 0.832 178.056 177.300 -0.126 0.000 1.227 168 P CA 0.400 63.275 63.100 -0.376 0.000 0.788 168 P CB 0.523 31.997 31.700 -0.375 0.000 0.926 169 A N 1.836 124.643 122.820 -0.021 0.000 2.015 169 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 169 A C 1.468 179.121 177.584 0.115 0.000 1.163 169 A CA 1.540 53.602 52.037 0.042 0.000 0.646 169 A CB -1.061 17.956 19.000 0.028 0.000 0.806 169 A HN 0.727 nan 8.150 nan 0.000 0.448 170 N N -1.806 117.005 118.700 0.185 0.000 2.322 170 N HA 0.012 4.752 4.740 -0.000 0.000 0.194 170 N C -0.701 175.010 175.510 0.334 0.000 1.126 170 N CA -0.206 52.976 53.050 0.220 0.000 0.845 170 N CB -0.176 38.421 38.487 0.184 0.000 0.976 170 N HN 0.453 nan 8.380 nan 0.000 0.475 171 W N 1.884 123.196 121.300 0.019 0.000 2.496 171 W HA 0.573 5.233 4.660 -0.000 0.000 0.327 171 W C 0.198 176.786 176.519 0.115 0.000 1.086 171 W CA -0.793 56.582 57.345 0.050 0.000 1.222 171 W CB 1.278 30.711 29.460 -0.044 0.000 1.304 171 W HN 0.012 nan 8.180 nan 0.000 0.547 172 S N 1.648 117.583 115.700 0.392 0.000 2.564 172 S HA 0.596 5.066 4.470 -0.000 0.000 0.274 172 S C -1.336 173.455 174.600 0.320 0.000 1.124 172 S CA -1.031 57.365 58.200 0.327 0.000 0.869 172 S CB 1.598 64.907 63.200 0.181 0.000 1.105 172 S HN 0.399 nan 8.310 nan 0.000 0.472 173 L N 2.502 123.848 121.223 0.205 0.000 2.534 173 L HA 0.329 4.669 4.340 -0.000 0.000 0.271 173 L C 0.898 177.752 176.870 -0.028 0.000 1.178 173 L CA 0.940 55.749 54.840 -0.051 0.000 0.907 173 L CB -0.003 41.998 42.059 -0.097 0.000 1.164 173 L HN 1.040 nan 8.230 nan 0.000 0.482 174 H N 4.352 123.295 119.070 -0.212 0.000 2.545 174 H HA 0.434 4.990 4.556 -0.000 0.000 0.283 174 H C -0.104 175.036 175.328 -0.313 0.000 0.997 174 H CA 0.448 56.378 56.048 -0.197 0.000 1.269 174 H CB 0.554 30.227 29.762 -0.149 0.000 1.451 174 H HN 0.485 nan 8.280 nan 0.000 0.508 175 R N 0.459 120.672 120.500 -0.479 0.000 2.668 175 R HA 0.356 4.695 4.340 -0.000 0.000 0.272 175 R C -1.370 174.598 176.300 -0.554 0.000 1.019 175 R CA -0.649 54.984 56.100 -0.778 0.000 0.894 175 R CB 2.214 31.616 30.300 -1.497 0.000 1.228 175 R HN 0.407 nan 8.270 nan 0.000 0.460 176 E N 1.575 121.531 120.200 -0.407 0.000 2.335 176 E HA 0.291 4.641 4.350 -0.000 0.000 0.280 176 E C -1.672 175.026 176.600 0.162 0.000 0.918 176 E CA -0.511 55.858 56.400 -0.052 0.000 0.765 176 E CB 2.446 32.116 29.700 -0.050 0.000 1.218 176 E HN 0.385 nan 8.360 nan 0.000 0.425 177 K N 3.473 124.130 120.400 0.427 0.000 2.397 177 K HA 0.475 4.794 4.320 -0.000 0.000 0.253 177 K C -1.690 175.129 176.600 0.366 0.000 0.932 177 K CA -0.721 55.802 56.287 0.394 0.000 0.795 177 K CB 1.886 34.662 32.500 0.460 0.000 1.159 177 K HN 0.281 nan 8.250 nan 0.000 0.424 178 V N 2.881 122.938 119.914 0.239 0.000 2.384 178 V HA 0.664 4.783 4.120 -0.000 0.000 0.287 178 V C -0.621 175.593 176.094 0.200 0.000 1.020 178 V CA -0.708 61.712 62.300 0.199 0.000 0.850 178 V CB 1.136 33.021 31.823 0.104 0.000 0.987 178 V HN 0.876 nan 8.190 nan 0.000 0.436 179 A N 3.902 126.880 122.820 0.263 0.000 2.381 179 A HA 0.884 5.204 4.320 -0.000 0.000 0.299 179 A C 0.515 178.204 177.584 0.175 0.000 1.049 179 A CA 0.178 52.338 52.037 0.205 0.000 0.715 179 A CB 1.223 20.347 19.000 0.206 0.000 1.222 179 A HN 1.874 nan 8.150 nan 0.000 0.428 180 G N 1.305 110.167 108.800 0.103 0.000 2.574 180 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.286 180 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.286 180 G C 0.412 175.343 174.900 0.051 0.000 1.212 180 G CA 0.851 45.994 45.100 0.071 0.000 0.979 180 G HN 1.031 nan 8.290 nan 0.000 0.557 181 Q N -0.078 119.740 119.800 0.031 0.000 2.217 181 Q HA 0.549 4.889 4.340 -0.000 0.000 0.226 181 Q C 0.064 176.044 176.000 -0.033 0.000 0.875 181 Q CA 0.188 55.994 55.803 0.004 0.000 0.974 181 Q CB 0.492 29.230 28.738 0.001 0.000 1.079 181 Q HN 0.588 nan 8.270 nan 0.000 0.463 182 V N 0.468 120.352 119.914 -0.049 0.000 2.487 182 V HA 0.765 4.885 4.120 -0.000 0.000 0.298 182 V C -0.444 175.478 176.094 -0.287 0.000 1.028 182 V CA -1.269 60.898 62.300 -0.221 0.000 0.860 182 V CB 1.676 33.290 31.823 -0.348 0.000 0.991 182 V HN 0.201 nan 8.190 nan 0.000 0.427 183 A N 4.602 127.248 122.820 -0.289 0.000 2.260 183 A HA 0.759 5.079 4.320 -0.000 0.000 0.308 183 A C -1.136 176.274 177.584 -0.290 0.000 1.254 183 A CA -0.245 51.690 52.037 -0.171 0.000 0.874 183 A CB 0.093 19.058 19.000 -0.058 0.000 1.153 183 A HN 0.746 nan 8.150 nan 0.000 0.527 184 Y N 2.248 122.625 120.300 0.130 0.000 2.369 184 Y HA 0.521 5.071 4.550 -0.000 0.000 0.337 184 Y C 0.738 176.834 175.900 0.327 0.000 0.961 184 Y CA -0.116 58.109 58.100 0.208 0.000 1.186 184 Y CB 1.205 39.836 38.460 0.285 0.000 1.139 184 Y HN 0.651 nan 8.280 nan 0.000 0.494 185 R N 2.478 123.145 120.500 0.278 0.000 2.750 185 R HA 0.632 4.971 4.340 -0.000 0.000 0.281 185 R C -1.782 174.654 176.300 0.227 0.000 0.972 185 R CA -1.304 54.875 56.100 0.131 0.000 0.912 185 R CB 2.284 32.498 30.300 -0.144 0.000 1.187 185 R HN 0.413 nan 8.270 nan 0.000 0.464 186 L N 2.921 124.182 121.223 0.064 0.000 2.333 186 L HA 0.437 4.777 4.340 -0.000 0.000 0.280 186 L C -1.396 175.425 176.870 -0.082 0.000 1.004 186 L CA -0.580 54.338 54.840 0.130 0.000 0.820 186 L CB 1.093 43.261 42.059 0.181 0.000 1.247 186 L HN 0.484 nan 8.230 nan 0.000 0.416 187 Y N 2.442 122.813 120.300 0.119 0.000 2.387 187 Y HA 0.479 5.028 4.550 -0.000 0.000 0.336 187 Y C 0.249 176.103 175.900 -0.076 0.000 1.067 187 Y CA -0.361 57.787 58.100 0.080 0.000 1.114 187 Y CB 1.468 40.043 38.460 0.192 0.000 1.208 187 Y HN 0.504 nan 8.280 nan 0.000 0.458 188 Q N 4.277 124.122 119.800 0.075 0.000 2.256 188 Q HA 0.346 4.686 4.340 -0.000 0.000 0.254 188 Q C -0.831 175.092 176.000 -0.129 0.000 0.916 188 Q CA -0.855 54.886 55.803 -0.103 0.000 0.932 188 Q CB 1.020 29.675 28.738 -0.137 0.000 1.207 188 Q HN 0.615 nan 8.270 nan 0.000 0.426 189 R N 3.573 123.913 120.500 -0.267 0.000 2.599 189 R HA 0.380 4.720 4.340 -0.000 0.000 0.295 189 R C -1.382 174.824 176.300 -0.156 0.000 0.963 189 R CA -0.253 55.652 56.100 -0.324 0.000 0.883 189 R CB 1.702 31.560 30.300 -0.737 0.000 1.171 189 R HN 0.836 nan 8.270 nan 0.000 0.450 190 E N 1.627 121.791 120.200 -0.060 0.000 2.222 190 E HA 0.442 4.792 4.350 -0.000 0.000 0.267 190 E C -0.871 175.735 176.600 0.010 0.000 0.884 190 E CA -0.893 55.493 56.400 -0.024 0.000 0.764 190 E CB 2.121 31.820 29.700 -0.003 0.000 1.169 190 E HN 0.714 nan 8.360 nan 0.000 0.413 191 A N 2.905 125.726 122.820 0.003 0.000 2.498 191 A HA 0.074 4.393 4.320 -0.000 0.000 0.239 191 A C 0.149 177.748 177.584 0.025 0.000 1.068 191 A CA 0.127 52.175 52.037 0.018 0.000 0.766 191 A CB 0.278 19.280 19.000 0.003 0.000 1.003 191 A HN 0.614 nan 8.150 nan 0.000 0.497 192 Q N 0.000 119.821 119.800 0.035 0.000 2.315 192 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 192 Q CA 0.000 55.820 55.803 0.029 0.000 1.022 192 Q CB 0.000 28.758 28.738 0.034 0.000 1.108 192 Q HN 0.000 nan 8.270 nan 0.000 0.481