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 1efa_1_C DATA FIRST_RESID 46 DATA SEQUENCE NYIPNRVAQQ LAGKQSLLIG VATSSLALHA PSQIVAAIKS RADQLGASVV DATA SEQUENCE VSMVERSGVE ACKTAVHNLL AQRVSGLIIN YPLDDQDAIA VEAACTNVPA DATA SEQUENCE LFLDVSDQTP INSIIFSHED GTRLGVEHLV ALGHQQIALL AGPLSSVSAR DATA SEQUENCE LRLAGWHKYL TRNQIQPIAE REGDWSAMSG FQQTMQMLNE GIVPTAMLVA DATA SEQUENCE NDQMALGAMR AITESGLRVG ADISVVGYDD TEDSSCYIPP LTTIKQDFRL DATA SEQUENCE LGQTSVDRLL QLSQGQAVKG NQLLPVSLVK RKTTLA 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 46 N HA 0.000 nan 4.740 nan 0.000 0.220 46 N C 0.000 175.572 175.510 0.103 0.000 1.280 46 N CA 0.000 53.089 53.050 0.065 0.000 0.885 46 N CB 0.000 38.508 38.487 0.035 0.000 1.341 47 Y N 2.467 122.766 120.300 -0.003 0.000 2.327 47 Y HA 0.649 5.199 4.550 0.000 0.000 0.336 47 Y C -0.643 175.256 175.900 -0.003 0.000 1.035 47 Y CA -0.514 57.585 58.100 -0.003 0.000 1.165 47 Y CB 0.603 39.062 38.460 -0.003 0.000 1.181 47 Y HN 0.276 nan 8.280 nan 0.000 0.494 48 I N 9.094 129.271 120.570 -0.655 0.000 2.439 48 I HA 0.296 4.466 4.170 0.000 0.000 0.283 48 I C -2.346 173.308 176.117 -0.772 0.000 1.023 48 I CA -2.135 58.811 61.300 -0.589 0.000 1.100 48 I CB 1.617 39.464 38.000 -0.254 0.000 1.238 48 I HN 0.556 nan 8.210 nan 0.000 0.445 49 P HA -0.062 nan 4.420 nan 0.000 0.258 49 P C -0.137 177.051 177.300 -0.186 0.000 1.187 49 P CA 0.018 62.866 63.100 -0.420 0.000 0.767 49 P CB 0.210 31.791 31.700 -0.197 0.000 0.770 50 N N 3.913 122.561 118.700 -0.087 0.000 2.454 50 N HA -0.034 4.706 4.740 0.000 0.000 0.285 50 N C 1.098 176.592 175.510 -0.027 0.000 1.233 50 N CA 0.237 53.262 53.050 -0.042 0.000 1.036 50 N CB 0.016 38.502 38.487 -0.000 0.000 1.423 50 N HN 0.250 nan 8.380 nan 0.000 0.495 51 R N 1.387 121.862 120.500 -0.040 0.000 2.154 51 R HA -0.158 4.182 4.340 0.000 0.000 0.248 51 R C 1.715 178.005 176.300 -0.015 0.000 1.155 51 R CA 1.411 57.495 56.100 -0.027 0.000 0.979 51 R CB -0.053 30.228 30.300 -0.032 0.000 0.869 51 R HN 0.356 nan 8.270 nan 0.000 0.452 52 V N 0.589 120.494 119.914 -0.015 0.000 2.287 52 V HA -0.291 3.829 4.120 0.000 0.000 0.248 52 V C 2.430 178.522 176.094 -0.003 0.000 1.053 52 V CA 2.092 64.386 62.300 -0.010 0.000 1.027 52 V CB -0.782 31.035 31.823 -0.010 0.000 0.646 52 V HN 0.448 nan 8.190 nan 0.000 0.447 53 A N -0.966 121.855 122.820 0.002 0.000 1.897 53 A HA -0.223 4.097 4.320 0.000 0.000 0.215 53 A C 2.201 179.792 177.584 0.011 0.000 1.181 53 A CA 1.580 53.623 52.037 0.010 0.000 0.620 53 A CB -0.443 18.569 19.000 0.020 0.000 0.821 53 A HN 0.611 nan 8.150 nan 0.000 0.443 54 Q N -0.820 118.986 119.800 0.010 0.000 2.096 54 Q HA -0.285 4.055 4.340 0.000 0.000 0.204 54 Q C 2.343 178.346 176.000 0.005 0.000 0.982 54 Q CA 1.913 57.723 55.803 0.011 0.000 0.850 54 Q CB -0.213 28.530 28.738 0.008 0.000 0.901 54 Q HN 0.871 nan 8.270 nan 0.000 0.422 55 Q N 0.534 120.334 119.800 0.000 0.000 2.020 55 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 55 Q C 2.118 178.119 176.000 0.001 0.000 0.982 55 Q CA 1.132 56.934 55.803 -0.001 0.000 0.838 55 Q CB -0.126 28.609 28.738 -0.005 0.000 0.899 55 Q HN 0.303 nan 8.270 nan 0.000 0.423 56 L N 0.768 121.991 121.223 0.001 0.000 2.042 56 L HA -0.126 4.214 4.340 0.000 0.000 0.210 56 L C 2.219 179.091 176.870 0.004 0.000 1.076 56 L CA 2.208 57.050 54.840 0.002 0.000 0.749 56 L CB -0.829 41.231 42.059 0.003 0.000 0.893 56 L HN 0.330 nan 8.230 nan 0.000 0.432 57 A N -1.357 121.467 122.820 0.006 0.000 2.178 57 A HA 0.211 4.531 4.320 0.000 0.000 0.218 57 A C 1.840 179.428 177.584 0.006 0.000 1.157 57 A CA 1.185 53.227 52.037 0.008 0.000 0.689 57 A CB -0.917 18.090 19.000 0.011 0.000 0.787 57 A HN 0.882 nan 8.150 nan 0.000 0.465 58 G N -1.245 107.558 108.800 0.005 0.000 2.184 58 G HA2 -0.228 3.732 3.960 0.000 0.000 0.206 58 G HA3 -0.228 3.732 3.960 0.000 0.000 0.206 58 G C 0.253 175.156 174.900 0.004 0.000 0.995 58 G CA 0.247 45.350 45.100 0.004 0.000 0.651 58 G HN 0.721 nan 8.290 nan 0.000 0.511 59 K N 0.927 121.329 120.400 0.005 0.000 2.405 59 K HA 0.187 4.507 4.320 0.000 0.000 0.276 59 K C 0.581 177.182 176.600 0.002 0.000 1.099 59 K CA 0.096 56.386 56.287 0.004 0.000 1.120 59 K CB 0.237 32.740 32.500 0.005 0.000 0.877 59 K HN 0.192 nan 8.250 nan 0.000 0.472 60 Q N 2.934 122.735 119.800 0.001 0.000 2.409 60 Q HA 0.052 4.392 4.340 0.000 0.000 0.240 60 Q C -1.295 174.704 176.000 -0.002 0.000 1.226 60 Q CA 0.468 56.271 55.803 -0.000 0.000 0.895 60 Q CB 0.325 29.064 28.738 0.000 0.000 1.491 60 Q HN 0.471 nan 8.270 nan 0.000 0.509 61 S N 4.658 120.356 115.700 -0.004 0.000 2.566 61 S HA 0.339 4.809 4.470 0.000 0.000 0.324 61 S C -0.402 174.194 174.600 -0.007 0.000 1.081 61 S CA -0.871 57.326 58.200 -0.006 0.000 1.105 61 S CB 0.370 63.566 63.200 -0.007 0.000 0.981 61 S HN 0.691 nan 8.310 nan 0.000 0.464 62 L N 2.783 124.002 121.223 -0.008 0.000 2.678 62 L HA 0.331 4.671 4.340 0.000 0.000 0.276 62 L C -0.374 176.489 176.870 -0.012 0.000 1.142 62 L CA 0.045 54.880 54.840 -0.009 0.000 0.961 62 L CB -0.358 41.696 42.059 -0.008 0.000 1.291 62 L HN 0.472 nan 8.230 nan 0.000 0.476 63 L N 6.439 127.655 121.223 -0.013 0.000 2.277 63 L HA 0.502 4.842 4.340 0.000 0.000 0.284 63 L C -0.222 176.636 176.870 -0.020 0.000 1.028 63 L CA -0.505 54.325 54.840 -0.016 0.000 0.835 63 L CB 1.421 43.470 42.059 -0.016 0.000 1.215 63 L HN 0.675 nan 8.230 nan 0.000 0.425 64 I N 4.449 125.006 120.570 -0.023 0.000 2.371 64 I HA 0.262 4.432 4.170 0.000 0.000 0.290 64 I C 0.998 177.095 176.117 -0.033 0.000 1.028 64 I CA -0.157 61.126 61.300 -0.028 0.000 1.345 64 I CB 1.461 39.444 38.000 -0.029 0.000 1.407 64 I HN 0.608 nan 8.210 nan 0.000 0.501 65 G N 5.269 114.045 108.800 -0.040 0.000 2.389 65 G HA2 0.605 4.565 3.960 0.000 0.000 0.317 65 G HA3 0.605 4.565 3.960 0.000 0.000 0.317 65 G C -0.980 173.887 174.900 -0.056 0.000 1.137 65 G CA -0.319 44.755 45.100 -0.044 0.000 0.870 65 G HN 0.377 nan 8.290 nan 0.000 0.496 66 V N 0.874 120.756 119.914 -0.052 0.000 2.524 66 V HA 0.630 4.750 4.120 0.000 0.000 0.297 66 V C 0.101 176.165 176.094 -0.051 0.000 1.035 66 V CA -0.864 61.402 62.300 -0.056 0.000 0.867 66 V CB 1.383 33.179 31.823 -0.044 0.000 1.004 66 V HN 1.134 nan 8.190 nan 0.000 0.426 67 A N 3.307 126.090 122.820 -0.062 0.000 2.260 67 A HA 0.867 5.187 4.320 0.000 0.000 0.314 67 A C -0.053 177.532 177.584 0.001 0.000 1.257 67 A CA -0.306 51.701 52.037 -0.050 0.000 0.871 67 A CB 1.353 20.301 19.000 -0.087 0.000 1.166 67 A HN 0.791 nan 8.150 nan 0.000 0.522 68 T N 1.037 115.613 114.554 0.037 0.000 2.864 68 T HA 0.585 4.935 4.350 0.000 0.000 0.299 68 T C 0.158 174.959 174.700 0.167 0.000 1.166 68 T CA -0.299 61.854 62.100 0.090 0.000 1.007 68 T CB 1.189 70.072 68.868 0.024 0.000 1.219 68 T HN 0.634 nan 8.240 nan 0.000 0.506 69 S N 1.382 117.182 115.700 0.167 0.000 2.608 69 S HA 0.371 4.841 4.470 0.000 0.000 0.261 69 S C 0.298 174.940 174.600 0.070 0.000 1.314 69 S CA -0.470 57.820 58.200 0.149 0.000 0.992 69 S CB 0.965 64.179 63.200 0.024 0.000 0.935 69 S HN 0.839 nan 8.310 nan 0.000 0.564 70 S N 0.268 116.006 115.700 0.064 0.000 2.642 70 S HA -0.024 4.446 4.470 0.000 0.000 0.308 70 S C 1.033 175.631 174.600 -0.004 0.000 1.255 70 S CA -0.305 57.915 58.200 0.033 0.000 1.057 70 S CB -0.394 62.828 63.200 0.037 0.000 0.785 70 S HN 0.546 nan 8.310 nan 0.000 0.500 71 L N 4.436 125.651 121.223 -0.012 0.000 2.622 71 L HA 0.025 4.365 4.340 0.000 0.000 0.233 71 L C 2.400 179.248 176.870 -0.037 0.000 1.156 71 L CA 0.735 55.552 54.840 -0.039 0.000 0.866 71 L CB -0.617 41.421 42.059 -0.035 0.000 0.980 71 L HN 0.838 nan 8.230 nan 0.000 0.448 72 A N -0.108 122.703 122.820 -0.015 0.000 2.209 72 A HA 0.121 4.441 4.320 0.000 0.000 0.212 72 A C 1.000 178.580 177.584 -0.006 0.000 1.158 72 A CA 0.351 52.386 52.037 -0.004 0.000 0.742 72 A CB -0.266 18.741 19.000 0.012 0.000 0.790 72 A HN 0.288 nan 8.150 nan 0.000 0.472 73 L N -1.483 119.721 121.223 -0.032 0.000 2.334 73 L HA 0.304 4.644 4.340 0.000 0.000 0.277 73 L C 1.500 178.313 176.870 -0.095 0.000 1.075 73 L CA -0.682 54.127 54.840 -0.051 0.000 0.804 73 L CB 0.838 42.846 42.059 -0.085 0.000 1.174 73 L HN 0.468 nan 8.230 nan 0.000 0.438 74 H N 2.778 121.745 119.070 -0.172 0.000 2.280 74 H HA -0.255 4.301 4.556 -0.000 0.000 0.294 74 H C 1.860 176.965 175.328 -0.372 0.000 1.064 74 H CA 2.504 58.424 56.048 -0.214 0.000 1.208 74 H CB 0.189 29.849 29.762 -0.169 0.000 1.365 74 H HN 0.783 nan 8.280 nan 0.000 0.511 75 A N 0.475 122.959 122.820 -0.560 0.000 1.892 75 A HA -0.140 4.180 4.320 0.000 0.000 0.218 75 A C -0.019 177.179 177.584 -0.644 0.000 1.188 75 A CA 2.045 53.507 52.037 -0.960 0.000 0.631 75 A CB -1.606 17.004 19.000 -0.650 0.000 0.822 75 A HN 0.502 nan 8.150 nan 0.000 0.447 76 P HA -0.184 nan 4.420 nan 0.000 0.215 76 P C 2.064 179.228 177.300 -0.227 0.000 1.157 76 P CA 2.248 65.211 63.100 -0.228 0.000 0.868 76 P CB -0.250 31.364 31.700 -0.143 0.000 0.788 77 S N -0.887 114.662 115.700 -0.251 0.000 2.368 77 S HA -0.227 4.243 4.470 0.000 0.000 0.225 77 S C 2.015 176.469 174.600 -0.244 0.000 1.030 77 S CA 1.012 59.088 58.200 -0.206 0.000 0.999 77 S CB -1.337 61.755 63.200 -0.179 0.000 0.844 77 S HN 0.066 nan 8.310 nan 0.000 0.459 78 Q N 1.128 120.683 119.800 -0.409 0.000 2.124 78 Q HA 0.080 4.420 4.340 0.000 0.000 0.202 78 Q C 2.347 178.242 176.000 -0.175 0.000 0.977 78 Q CA 1.306 56.905 55.803 -0.340 0.000 0.850 78 Q CB -0.602 27.790 28.738 -0.577 0.000 0.901 78 Q HN 0.660 nan 8.270 nan 0.000 0.429 79 I N -0.238 120.211 120.570 -0.201 0.000 2.233 79 I HA -0.208 3.962 4.170 0.000 0.000 0.243 79 I C 2.326 178.414 176.117 -0.048 0.000 1.093 79 I CA 0.578 61.841 61.300 -0.062 0.000 1.380 79 I CB -0.256 37.715 38.000 -0.048 0.000 1.067 79 I HN -0.051 nan 8.210 nan 0.000 0.413 80 V N 1.021 120.891 119.914 -0.073 0.000 2.332 80 V HA -0.330 3.790 4.120 0.000 0.000 0.248 80 V C 2.694 178.763 176.094 -0.042 0.000 1.055 80 V CA 2.039 64.308 62.300 -0.052 0.000 1.038 80 V CB -0.918 30.871 31.823 -0.056 0.000 0.651 80 V HN 0.504 nan 8.190 nan 0.000 0.450 81 A N -0.049 122.740 122.820 -0.052 0.000 1.883 81 A HA -0.175 4.145 4.320 0.000 0.000 0.217 81 A C 2.404 179.978 177.584 -0.016 0.000 1.186 81 A CA 2.251 54.267 52.037 -0.036 0.000 0.624 81 A CB -0.861 18.113 19.000 -0.044 0.000 0.822 81 A HN 0.604 nan 8.150 nan 0.000 0.444 82 A N -0.576 122.242 122.820 -0.004 0.000 2.015 82 A HA 0.018 4.338 4.320 0.000 0.000 0.219 82 A C 2.092 179.680 177.584 0.006 0.000 1.163 82 A CA 1.325 53.371 52.037 0.015 0.000 0.646 82 A CB -0.524 18.504 19.000 0.047 0.000 0.806 82 A HN 0.519 nan 8.150 nan 0.000 0.448 83 I N -0.504 120.064 120.570 -0.004 0.000 2.133 83 I HA -0.247 3.923 4.170 0.000 0.000 0.238 83 I C 2.430 178.540 176.117 -0.012 0.000 1.074 83 I CA 1.479 62.773 61.300 -0.009 0.000 1.342 83 I CB -0.318 37.672 38.000 -0.018 0.000 1.053 83 I HN 0.267 nan 8.210 nan 0.000 0.404 84 K N 0.301 120.691 120.400 -0.016 0.000 2.063 84 K HA -0.212 4.108 4.320 0.000 0.000 0.208 84 K C 2.322 178.915 176.600 -0.012 0.000 1.048 84 K CA 1.827 58.105 56.287 -0.016 0.000 0.928 84 K CB -0.359 32.130 32.500 -0.019 0.000 0.713 84 K HN 0.221 nan 8.250 nan 0.000 0.442 85 S N 1.239 116.934 115.700 -0.009 0.000 2.351 85 S HA -0.219 4.251 4.470 0.000 0.000 0.220 85 S C 2.116 176.714 174.600 -0.004 0.000 1.035 85 S CA 1.767 59.964 58.200 -0.005 0.000 1.031 85 S CB -0.165 63.035 63.200 -0.000 0.000 0.928 85 S HN 0.230 nan 8.310 nan 0.000 0.433 86 R N 1.552 122.051 120.500 -0.002 0.000 2.120 86 R HA 0.187 4.527 4.340 0.000 0.000 0.234 86 R C 2.127 178.424 176.300 -0.005 0.000 1.123 86 R CA 1.873 57.972 56.100 -0.002 0.000 0.975 86 R CB -1.270 29.030 30.300 0.000 0.000 0.866 86 R HN 0.408 nan 8.270 nan 0.000 0.446 87 A N 0.614 123.429 122.820 -0.008 0.000 1.898 87 A HA -0.112 4.208 4.320 0.000 0.000 0.216 87 A C 1.711 179.289 177.584 -0.010 0.000 1.181 87 A CA 1.694 53.725 52.037 -0.011 0.000 0.620 87 A CB -0.548 18.444 19.000 -0.014 0.000 0.819 87 A HN 0.418 nan 8.150 nan 0.000 0.442 88 D N -0.768 119.626 120.400 -0.010 0.000 2.117 88 D HA -0.182 4.458 4.640 0.000 0.000 0.197 88 D C 1.995 178.290 176.300 -0.008 0.000 0.987 88 D CA 1.567 55.562 54.000 -0.010 0.000 0.829 88 D CB -0.371 40.424 40.800 -0.010 0.000 0.961 88 D HN 0.703 nan 8.370 nan 0.000 0.460 89 Q N -0.052 119.744 119.800 -0.006 0.000 2.364 89 Q HA -0.039 4.301 4.340 0.000 0.000 0.207 89 Q C 1.499 177.496 176.000 -0.004 0.000 0.970 89 Q CA 0.561 56.361 55.803 -0.004 0.000 0.888 89 Q CB 0.130 28.866 28.738 -0.003 0.000 0.951 89 Q HN 0.284 nan 8.270 nan 0.000 0.469 90 L N -1.102 120.118 121.223 -0.005 0.000 2.728 90 L HA 0.322 4.662 4.340 0.000 0.000 0.238 90 L C 0.904 177.770 176.870 -0.006 0.000 1.143 90 L CA 0.247 55.084 54.840 -0.005 0.000 0.937 90 L CB 0.557 42.612 42.059 -0.006 0.000 1.225 90 L HN 0.365 nan 8.230 nan 0.000 0.507 91 G N 1.050 109.846 108.800 -0.007 0.000 2.198 91 G HA2 -0.264 3.696 3.960 0.000 0.000 0.260 91 G HA3 -0.264 3.696 3.960 0.000 0.000 0.260 91 G C 0.251 175.146 174.900 -0.009 0.000 1.025 91 G CA 0.317 45.412 45.100 -0.008 0.000 0.769 91 G HN 0.499 nan 8.290 nan 0.000 0.507 92 A N -0.628 122.186 122.820 -0.010 0.000 2.312 92 A HA 0.887 5.207 4.320 0.000 0.000 0.328 92 A C 0.473 178.049 177.584 -0.014 0.000 1.158 92 A CA 0.637 52.667 52.037 -0.012 0.000 0.821 92 A CB 1.509 20.502 19.000 -0.012 0.000 1.170 92 A HN 1.388 nan 8.150 nan 0.000 0.490 93 S N 0.208 115.899 115.700 -0.015 0.000 2.654 93 S HA 0.667 5.137 4.470 0.000 0.000 0.283 93 S C -0.763 173.825 174.600 -0.020 0.000 1.180 93 S CA -0.373 57.817 58.200 -0.018 0.000 1.021 93 S CB 0.784 63.974 63.200 -0.018 0.000 1.018 93 S HN 0.918 nan 8.310 nan 0.000 0.532 94 V N 3.578 123.479 119.914 -0.021 0.000 2.612 94 V HA 0.515 4.635 4.120 0.000 0.000 0.301 94 V C -0.554 175.525 176.094 -0.025 0.000 1.059 94 V CA -0.743 61.542 62.300 -0.024 0.000 0.886 94 V CB 1.528 33.337 31.823 -0.024 0.000 1.007 94 V HN 0.708 nan 8.190 nan 0.000 0.426 95 V N 6.999 126.897 119.914 -0.027 0.000 2.513 95 V HA 0.886 5.006 4.120 0.000 0.000 0.299 95 V C -0.665 175.410 176.094 -0.031 0.000 1.035 95 V CA -0.281 62.002 62.300 -0.028 0.000 0.889 95 V CB 2.060 33.866 31.823 -0.028 0.000 0.988 95 V HN 1.006 nan 8.190 nan 0.000 0.440 96 V N 4.062 123.958 119.914 -0.030 0.000 2.588 96 V HA 0.784 4.904 4.120 0.000 0.000 0.304 96 V C -0.492 175.585 176.094 -0.029 0.000 1.042 96 V CA -0.040 62.242 62.300 -0.031 0.000 0.877 96 V CB 1.903 33.709 31.823 -0.029 0.000 0.996 96 V HN 1.052 nan 8.190 nan 0.000 0.425 97 S N 6.651 122.332 115.700 -0.032 0.000 2.438 97 S HA 0.595 5.065 4.470 0.000 0.000 0.316 97 S C -0.422 174.163 174.600 -0.025 0.000 1.084 97 S CA -0.671 57.510 58.200 -0.033 0.000 1.107 97 S CB 0.726 63.901 63.200 -0.042 0.000 0.981 97 S HN 0.980 nan 8.310 nan 0.000 0.466 98 M N 6.028 125.619 119.600 -0.015 0.000 2.144 98 M HA 0.445 4.925 4.480 0.000 0.000 0.356 98 M C -1.339 174.966 176.300 0.008 0.000 1.217 98 M CA -0.474 54.828 55.300 0.005 0.000 1.087 98 M CB 0.720 33.324 32.600 0.007 0.000 1.609 98 M HN 0.378 nan 8.290 nan 0.000 0.467 99 V N 6.054 125.989 119.914 0.036 0.000 2.350 99 V HA 0.224 4.344 4.120 0.000 0.000 0.276 99 V C 0.256 176.426 176.094 0.126 0.000 1.028 99 V CA -0.225 62.093 62.300 0.030 0.000 0.860 99 V CB 1.150 32.907 31.823 -0.111 0.000 0.990 99 V HN 0.980 nan 8.190 nan 0.000 0.453 100 E N 2.967 123.219 120.200 0.087 0.000 2.175 100 E HA 0.176 4.526 4.350 0.000 0.000 0.195 100 E C 0.472 177.140 176.600 0.113 0.000 0.934 100 E CA -0.168 56.291 56.400 0.098 0.000 0.870 100 E CB 0.379 30.114 29.700 0.058 0.000 0.838 100 E HN 0.564 nan 8.360 nan 0.000 0.474 101 R N 1.575 122.127 120.500 0.086 0.000 2.623 101 R HA 0.116 4.456 4.340 0.000 0.000 0.271 101 R C 0.092 176.479 176.300 0.145 0.000 1.043 101 R CA -0.031 56.121 56.100 0.085 0.000 1.083 101 R CB 0.726 31.057 30.300 0.052 0.000 0.974 101 R HN -0.052 nan 8.270 nan 0.000 0.436 102 S N 1.137 116.920 115.700 0.137 0.000 2.545 102 S HA 0.583 5.053 4.470 0.000 0.000 0.275 102 S C 0.043 174.744 174.600 0.168 0.000 1.299 102 S CA 0.445 58.755 58.200 0.183 0.000 1.048 102 S CB 0.845 64.110 63.200 0.109 0.000 0.938 102 S HN 0.832 nan 8.310 nan 0.000 0.496 103 G N 2.298 111.244 108.800 0.244 0.000 2.317 103 G HA2 0.004 3.964 3.960 0.000 0.000 0.445 103 G HA3 0.004 3.964 3.960 0.000 0.000 0.445 103 G C 0.021 175.005 174.900 0.139 0.000 1.486 103 G CA -0.333 44.861 45.100 0.158 0.000 0.991 103 G HN 0.859 nan 8.290 nan 0.000 0.660 104 V N 0.536 120.509 119.914 0.099 0.000 2.548 104 V HA -0.029 4.091 4.120 0.000 0.000 0.249 104 V C 2.554 178.647 176.094 -0.001 0.000 1.055 104 V CA 2.310 64.645 62.300 0.058 0.000 1.065 104 V CB -0.310 31.550 31.823 0.062 0.000 0.681 104 V HN 0.704 nan 8.190 nan 0.000 0.462 105 E N 0.953 121.157 120.200 0.007 0.000 2.077 105 E HA -0.165 4.185 4.350 0.000 0.000 0.193 105 E C 2.434 179.016 176.600 -0.030 0.000 0.989 105 E CA 1.553 57.950 56.400 -0.005 0.000 0.800 105 E CB -0.534 29.171 29.700 0.008 0.000 0.746 105 E HN 0.553 nan 8.360 nan 0.000 0.452 106 A N 0.905 123.700 122.820 -0.042 0.000 1.883 106 A HA -0.227 4.093 4.320 0.000 0.000 0.217 106 A C 2.585 180.064 177.584 -0.176 0.000 1.186 106 A CA 1.682 53.672 52.037 -0.078 0.000 0.624 106 A CB -1.160 17.809 19.000 -0.052 0.000 0.822 106 A HN 0.431 nan 8.150 nan 0.000 0.444 107 C N -0.431 118.689 119.300 -0.301 0.000 2.435 107 C HA -0.022 4.438 4.460 0.000 0.000 0.279 107 C C 2.660 177.548 174.990 -0.170 0.000 1.321 107 C CA 1.396 60.171 59.018 -0.405 0.000 1.752 107 C CB -1.204 26.211 27.740 -0.542 0.000 1.959 107 C HN 0.607 nan 8.230 nan 0.000 0.500 108 K N -0.257 120.089 120.400 -0.090 0.000 2.057 108 K HA -0.098 4.222 4.320 0.000 0.000 0.206 108 K C 2.049 178.650 176.600 0.002 0.000 1.050 108 K CA 1.886 58.154 56.287 -0.032 0.000 0.935 108 K CB -0.427 32.062 32.500 -0.018 0.000 0.715 108 K HN 0.482 nan 8.250 nan 0.000 0.439 109 T N 1.299 115.852 114.554 -0.000 0.000 2.684 109 T HA -0.192 4.158 4.350 0.000 0.000 0.267 109 T C 1.990 176.705 174.700 0.025 0.000 1.036 109 T CA 1.541 63.667 62.100 0.043 0.000 1.148 109 T CB -0.288 68.586 68.868 0.009 0.000 0.863 109 T HN 0.335 nan 8.240 nan 0.000 0.436 110 A N 0.866 123.663 122.820 -0.038 0.000 1.908 110 A HA -0.073 4.247 4.320 0.000 0.000 0.218 110 A C 2.581 180.149 177.584 -0.027 0.000 1.181 110 A CA 1.514 53.519 52.037 -0.053 0.000 0.627 110 A CB -1.022 17.915 19.000 -0.106 0.000 0.818 110 A HN 0.371 nan 8.150 nan 0.000 0.445 111 V N -0.519 119.383 119.914 -0.019 0.000 2.515 111 V HA -0.271 3.849 4.120 0.000 0.000 0.250 111 V C 2.345 178.479 176.094 0.067 0.000 1.058 111 V CA 2.138 64.438 62.300 -0.000 0.000 1.064 111 V CB -1.068 30.750 31.823 -0.009 0.000 0.675 111 V HN 0.833 nan 8.190 nan 0.000 0.461 112 H N 0.572 119.619 119.070 -0.038 0.000 2.290 112 H HA -0.182 4.374 4.556 0.000 0.000 0.298 112 H C 2.380 177.692 175.328 -0.027 0.000 1.087 112 H CA 1.763 57.794 56.048 -0.027 0.000 1.291 112 H CB 0.261 30.009 29.762 -0.025 0.000 1.369 112 H HN 0.400 nan 8.280 nan 0.000 0.492 113 N N 0.668 119.354 118.700 -0.022 0.000 2.120 113 N HA -0.141 4.599 4.740 0.000 0.000 0.188 113 N C 2.023 177.505 175.510 -0.046 0.000 1.024 113 N CA 0.692 53.678 53.050 -0.107 0.000 0.852 113 N CB -0.397 38.032 38.487 -0.097 0.000 1.003 113 N HN 0.257 nan 8.380 nan 0.000 0.424 114 L N 0.691 121.902 121.223 -0.021 0.000 2.079 114 L HA -0.081 4.259 4.340 0.000 0.000 0.210 114 L C 2.042 178.908 176.870 -0.006 0.000 1.081 114 L CA 0.963 55.791 54.840 -0.020 0.000 0.752 114 L CB -0.773 41.269 42.059 -0.027 0.000 0.896 114 L HN 0.108 nan 8.230 nan 0.000 0.433 115 L N -0.991 120.246 121.223 0.023 0.000 2.072 115 L HA -0.056 4.284 4.340 0.000 0.000 0.205 115 L C 2.585 179.475 176.870 0.033 0.000 1.079 115 L CA 1.800 56.663 54.840 0.037 0.000 0.752 115 L CB -1.351 40.752 42.059 0.075 0.000 0.906 115 L HN 0.233 nan 8.230 nan 0.000 0.436 116 A N -1.166 121.671 122.820 0.028 0.000 1.940 116 A HA -0.251 4.069 4.320 0.000 0.000 0.219 116 A C 2.021 179.598 177.584 -0.013 0.000 1.176 116 A CA 1.468 53.503 52.037 -0.002 0.000 0.631 116 A CB -0.514 18.445 19.000 -0.068 0.000 0.814 116 A HN 0.590 nan 8.150 nan 0.000 0.446 117 Q N -0.984 118.805 119.800 -0.019 0.000 2.466 117 Q HA 0.054 4.394 4.340 0.000 0.000 0.210 117 Q C -0.403 175.590 176.000 -0.012 0.000 0.961 117 Q CA -0.301 55.491 55.803 -0.019 0.000 0.953 117 Q CB 0.149 28.872 28.738 -0.025 0.000 1.011 117 Q HN 0.368 nan 8.270 nan 0.000 0.516 118 R N 0.164 120.662 120.500 -0.004 0.000 3.188 118 R HA -0.145 4.195 4.340 0.000 0.000 0.247 118 R C -0.269 176.028 176.300 -0.006 0.000 0.918 118 R CA 0.637 56.736 56.100 -0.002 0.000 0.629 118 R CB -2.790 27.510 30.300 -0.001 0.000 1.087 118 R HN 0.279 nan 8.270 nan 0.000 0.462 119 V N -1.373 118.535 119.914 -0.009 0.000 3.051 119 V HA 0.291 4.411 4.120 0.000 0.000 0.306 119 V C 1.621 177.708 176.094 -0.011 0.000 1.083 119 V CA 0.324 62.615 62.300 -0.014 0.000 1.104 119 V CB 1.868 33.679 31.823 -0.020 0.000 1.027 119 V HN 0.414 nan 8.190 nan 0.000 0.483 120 S N 0.769 116.462 115.700 -0.013 0.000 2.575 120 S HA 0.539 5.009 4.470 0.000 0.000 0.215 120 S C 0.706 175.299 174.600 -0.013 0.000 0.966 120 S CA 0.205 58.399 58.200 -0.010 0.000 0.911 120 S CB -0.414 62.780 63.200 -0.009 0.000 0.780 120 S HN 1.980 nan 8.310 nan 0.000 0.514 121 G N 0.265 109.052 108.800 -0.020 0.000 2.519 121 G HA2 0.493 4.453 3.960 0.000 0.000 0.292 121 G HA3 0.493 4.453 3.960 0.000 0.000 0.292 121 G C -1.870 173.002 174.900 -0.047 0.000 1.507 121 G CA -0.959 44.123 45.100 -0.028 0.000 0.806 121 G HN 0.223 nan 8.290 nan 0.000 0.523 122 L N 0.597 121.778 121.223 -0.070 0.000 2.354 122 L HA 0.671 5.011 4.340 0.000 0.000 0.269 122 L C -0.496 176.281 176.870 -0.155 0.000 1.005 122 L CA -1.062 53.713 54.840 -0.109 0.000 0.819 122 L CB 2.355 44.336 42.059 -0.131 0.000 1.311 122 L HN 0.382 nan 8.230 nan 0.000 0.423 123 I N 3.833 124.309 120.570 -0.157 0.000 2.439 123 I HA 0.315 4.485 4.170 0.000 0.000 0.283 123 I C -0.641 175.355 176.117 -0.201 0.000 1.023 123 I CA -0.485 60.712 61.300 -0.171 0.000 1.100 123 I CB 2.061 40.003 38.000 -0.096 0.000 1.238 123 I HN 0.310 nan 8.210 nan 0.000 0.445 124 I N 5.530 125.900 120.570 -0.334 0.000 2.306 124 I HA 0.192 4.362 4.170 0.000 0.000 0.288 124 I C 0.177 176.251 176.117 -0.072 0.000 1.036 124 I CA -0.026 61.117 61.300 -0.262 0.000 1.221 124 I CB 0.798 38.481 38.000 -0.528 0.000 1.385 124 I HN 0.653 nan 8.210 nan 0.000 0.472 125 N N 7.073 125.785 118.700 0.020 0.000 3.112 125 N HA 0.214 4.954 4.740 0.000 0.000 0.270 125 N C -1.558 174.048 175.510 0.159 0.000 1.385 125 N CA -0.291 52.801 53.050 0.069 0.000 0.986 125 N CB 0.577 39.080 38.487 0.028 0.000 1.261 125 N HN 0.525 nan 8.380 nan 0.000 0.495 126 Y N 2.191 122.520 120.300 0.047 0.000 2.442 126 Y HA 0.370 4.920 4.550 0.000 0.000 0.330 126 Y C -2.560 173.401 175.900 0.101 0.000 1.100 126 Y CA -1.801 56.337 58.100 0.063 0.000 1.034 126 Y CB 1.946 40.437 38.460 0.051 0.000 1.285 126 Y HN 0.284 nan 8.280 nan 0.000 0.440 127 P HA 0.060 nan 4.420 nan 0.000 0.261 127 P C -1.244 176.085 177.300 0.048 0.000 1.203 127 P CA 0.395 63.422 63.100 -0.123 0.000 0.767 127 P CB 0.817 32.386 31.700 -0.219 0.000 0.785 128 L N 4.433 125.732 121.223 0.127 0.000 2.409 128 L HA 0.389 4.729 4.340 0.000 0.000 0.272 128 L C 0.159 177.063 176.870 0.057 0.000 0.980 128 L CA -0.509 54.420 54.840 0.150 0.000 0.826 128 L CB 1.512 43.705 42.059 0.225 0.000 1.268 128 L HN 0.212 nan 8.230 nan 0.000 0.407 129 D N 1.427 121.851 120.400 0.041 0.000 2.360 129 D HA 0.075 4.715 4.640 0.000 0.000 0.242 129 D C 0.713 177.001 176.300 -0.021 0.000 1.184 129 D CA -0.158 53.845 54.000 0.005 0.000 0.930 129 D CB 0.889 41.694 40.800 0.008 0.000 1.161 129 D HN 0.469 nan 8.370 nan 0.000 0.447 130 D N 0.409 120.785 120.400 -0.039 0.000 2.126 130 D HA -0.206 4.434 4.640 0.000 0.000 0.190 130 D C 1.812 178.070 176.300 -0.069 0.000 1.001 130 D CA 1.578 55.538 54.000 -0.066 0.000 0.841 130 D CB -0.007 40.761 40.800 -0.052 0.000 0.949 130 D HN 0.464 nan 8.370 nan 0.000 0.446 131 Q N -0.118 119.659 119.800 -0.039 0.000 2.119 131 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 131 Q C 1.598 177.585 176.000 -0.023 0.000 0.972 131 Q CA 0.939 56.724 55.803 -0.032 0.000 0.847 131 Q CB 0.062 28.790 28.738 -0.017 0.000 0.903 131 Q HN 0.317 nan 8.270 nan 0.000 0.433 132 D N 0.685 121.082 120.400 -0.005 0.000 2.117 132 D HA -0.123 4.517 4.640 0.000 0.000 0.197 132 D C 1.824 178.137 176.300 0.020 0.000 0.987 132 D CA 1.315 55.329 54.000 0.024 0.000 0.829 132 D CB -0.164 40.670 40.800 0.056 0.000 0.961 132 D HN 0.230 nan 8.370 nan 0.000 0.460 133 A N 1.001 123.798 122.820 -0.038 0.000 1.883 133 A HA -0.167 4.153 4.320 0.000 0.000 0.217 133 A C 2.407 179.869 177.584 -0.203 0.000 1.186 133 A CA 1.058 52.991 52.037 -0.175 0.000 0.624 133 A CB -0.817 17.933 19.000 -0.417 0.000 0.822 133 A HN 0.207 nan 8.150 nan 0.000 0.444 134 I N -0.353 120.122 120.570 -0.158 0.000 2.286 134 I HA -0.295 3.875 4.170 0.000 0.000 0.248 134 I C 2.963 179.066 176.117 -0.023 0.000 1.115 134 I CA 0.971 62.210 61.300 -0.101 0.000 1.392 134 I CB -0.375 37.579 38.000 -0.076 0.000 1.065 134 I HN 0.392 nan 8.210 nan 0.000 0.418 135 A N 0.561 123.378 122.820 -0.005 0.000 1.858 135 A HA -0.160 4.160 4.320 0.000 0.000 0.216 135 A C 2.447 180.061 177.584 0.049 0.000 1.190 135 A CA 1.801 53.848 52.037 0.017 0.000 0.617 135 A CB -1.043 17.966 19.000 0.015 0.000 0.827 135 A HN 0.205 nan 8.150 nan 0.000 0.443 136 V N 0.597 120.565 119.914 0.091 0.000 2.252 136 V HA -0.318 3.802 4.120 0.000 0.000 0.249 136 V C 2.683 178.891 176.094 0.190 0.000 1.056 136 V CA 2.687 65.076 62.300 0.148 0.000 1.022 136 V CB -0.891 31.085 31.823 0.256 0.000 0.641 136 V HN 0.853 nan 8.190 nan 0.000 0.445 137 E N 1.203 121.566 120.200 0.272 0.000 2.130 137 E HA -0.245 4.105 4.350 0.000 0.000 0.196 137 E C 1.959 178.632 176.600 0.121 0.000 0.998 137 E CA 2.119 58.678 56.400 0.265 0.000 0.806 137 E CB -0.523 29.283 29.700 0.177 0.000 0.738 137 E HN 0.531 nan 8.360 nan 0.000 0.459 138 A N 0.726 123.589 122.820 0.072 0.000 1.930 138 A HA 0.111 4.431 4.320 0.000 0.000 0.217 138 A C 2.462 180.063 177.584 0.029 0.000 1.175 138 A CA 1.727 53.786 52.037 0.038 0.000 0.627 138 A CB -0.937 18.074 19.000 0.019 0.000 0.815 138 A HN 0.452 nan 8.150 nan 0.000 0.443 139 A N -1.081 121.757 122.820 0.029 0.000 2.070 139 A HA -0.076 4.244 4.320 0.000 0.000 0.220 139 A C 1.360 178.950 177.584 0.010 0.000 1.159 139 A CA 1.046 53.087 52.037 0.006 0.000 0.656 139 A CB -1.160 17.838 19.000 -0.003 0.000 0.800 139 A HN 0.534 nan 8.150 nan 0.000 0.453 140 C N 2.710 122.028 119.300 0.031 0.000 3.461 140 C HA 0.201 4.661 4.460 0.000 0.000 0.525 140 C C 0.780 175.781 174.990 0.019 0.000 1.028 140 C CA -0.414 58.619 59.018 0.024 0.000 1.068 140 C CB -2.680 25.081 27.740 0.034 0.000 1.402 140 C HN 0.492 nan 8.230 nan 0.000 0.612 141 T N 3.808 118.368 114.554 0.011 0.000 2.476 141 T HA -0.112 4.238 4.350 0.000 0.000 0.236 141 T C 1.381 176.087 174.700 0.010 0.000 1.100 141 T CA 0.926 63.031 62.100 0.008 0.000 1.485 141 T CB -0.358 68.513 68.868 0.004 0.000 1.093 141 T HN 0.866 nan 8.240 nan 0.000 0.495 142 N N -0.058 118.649 118.700 0.012 0.000 2.927 142 N HA -0.226 4.514 4.740 0.000 0.000 0.215 142 N C 0.188 175.705 175.510 0.011 0.000 0.868 142 N CA 1.659 54.716 53.050 0.011 0.000 1.075 142 N CB -1.265 37.227 38.487 0.008 0.000 0.989 142 N HN 0.676 nan 8.380 nan 0.000 0.609 143 V N 0.260 120.181 119.914 0.011 0.000 2.509 143 V HA 0.674 4.794 4.120 0.000 0.000 0.284 143 V C -1.894 174.207 176.094 0.011 0.000 1.047 143 V CA -1.476 60.829 62.300 0.007 0.000 0.952 143 V CB 1.206 33.029 31.823 -0.000 0.000 0.988 143 V HN 0.046 nan 8.190 nan 0.000 0.469 144 P HA 0.399 nan 4.420 nan 0.000 0.269 144 P C -0.536 176.765 177.300 0.002 0.000 1.209 144 P CA 0.141 63.252 63.100 0.017 0.000 0.776 144 P CB 1.270 32.977 31.700 0.013 0.000 0.876 145 A N 2.994 125.831 122.820 0.027 0.000 2.371 145 A HA 0.634 4.954 4.320 0.000 0.000 0.311 145 A C -1.392 176.186 177.584 -0.009 0.000 1.068 145 A CA -0.668 51.341 52.037 -0.045 0.000 0.744 145 A CB 1.130 20.122 19.000 -0.014 0.000 1.239 145 A HN 0.502 nan 8.150 nan 0.000 0.435 146 L N 2.136 123.263 121.223 -0.160 0.000 2.356 146 L HA 0.823 5.163 4.340 0.000 0.000 0.277 146 L C -1.682 175.069 176.870 -0.199 0.000 0.996 146 L CA -0.530 54.286 54.840 -0.040 0.000 0.822 146 L CB 1.006 43.045 42.059 -0.032 0.000 1.256 146 L HN 0.561 nan 8.230 nan 0.000 0.413 147 F N 5.011 124.969 119.950 0.013 0.000 2.450 147 F HA 0.491 5.018 4.527 -0.000 0.000 0.332 147 F C 0.773 176.583 175.800 0.017 0.000 1.093 147 F CA -0.555 57.459 58.000 0.024 0.000 1.003 147 F CB 1.473 40.491 39.000 0.030 0.000 1.151 147 F HN 0.324 nan 8.300 nan 0.000 0.474 148 L N 0.679 121.999 121.223 0.162 0.000 2.920 148 L HA 0.270 4.610 4.340 0.000 0.000 0.257 148 L C -0.116 176.826 176.870 0.120 0.000 1.150 148 L CA 0.320 55.221 54.840 0.102 0.000 0.959 148 L CB 0.378 42.468 42.059 0.051 0.000 1.321 148 L HN 0.491 nan 8.230 nan 0.000 0.555 149 D N 1.480 121.975 120.400 0.159 0.000 2.861 149 D HA 0.337 4.977 4.640 0.000 0.000 0.357 149 D C -0.606 175.767 176.300 0.122 0.000 1.250 149 D CA 0.136 54.210 54.000 0.123 0.000 0.802 149 D CB 0.700 41.554 40.800 0.090 0.000 1.141 149 D HN -0.022 nan 8.370 nan 0.000 0.489 150 V N -2.011 117.966 119.914 0.105 0.000 3.167 150 V HA 0.718 4.838 4.120 0.000 0.000 0.310 150 V C 0.301 176.408 176.094 0.022 0.000 1.207 150 V CA -0.998 61.331 62.300 0.049 0.000 1.059 150 V CB 1.398 33.226 31.823 0.008 0.000 1.079 150 V HN 0.064 nan 8.190 nan 0.000 0.446 151 S N 0.337 116.031 115.700 -0.010 0.000 2.603 151 S HA 0.183 4.653 4.470 0.000 0.000 0.268 151 S C 0.892 175.508 174.600 0.027 0.000 1.317 151 S CA 0.366 58.559 58.200 -0.011 0.000 1.012 151 S CB 0.805 63.989 63.200 -0.027 0.000 0.926 151 S HN 1.066 nan 8.310 nan 0.000 0.539 152 D N 2.142 122.591 120.400 0.081 0.000 2.310 152 D HA -0.113 4.527 4.640 0.000 0.000 0.212 152 D C 1.212 177.541 176.300 0.049 0.000 0.965 152 D CA 1.001 55.057 54.000 0.093 0.000 0.879 152 D CB -0.334 40.562 40.800 0.161 0.000 0.921 152 D HN 0.688 nan 8.370 nan 0.000 0.510 153 Q N -0.105 119.715 119.800 0.033 0.000 2.403 153 Q HA 0.089 4.429 4.340 0.000 0.000 0.203 153 Q C -0.023 175.968 176.000 -0.015 0.000 0.932 153 Q CA 0.265 56.075 55.803 0.012 0.000 0.945 153 Q CB 0.361 29.105 28.738 0.011 0.000 1.045 153 Q HN 0.147 nan 8.270 nan 0.000 0.511 154 T N 3.509 118.044 114.554 -0.032 0.000 2.884 154 T HA 0.123 4.473 4.350 0.000 0.000 0.298 154 T C -2.176 172.480 174.700 -0.073 0.000 0.998 154 T CA -1.086 60.971 62.100 -0.072 0.000 1.124 154 T CB 0.913 69.708 68.868 -0.122 0.000 0.931 154 T HN 0.053 nan 8.240 nan 0.000 0.531 155 P HA 0.320 nan 4.420 nan 0.000 0.225 155 P C -0.572 176.681 177.300 -0.078 0.000 1.813 155 P CA -0.076 62.988 63.100 -0.060 0.000 1.013 155 P CB -0.734 30.939 31.700 -0.046 0.000 1.961 156 I N -2.233 118.287 120.570 -0.083 0.000 3.229 156 I HA 0.461 4.631 4.170 0.000 0.000 0.313 156 I C -0.892 175.236 176.117 0.019 0.000 1.317 156 I CA -1.512 59.748 61.300 -0.067 0.000 0.940 156 I CB 1.434 39.284 38.000 -0.251 0.000 1.315 156 I HN -0.257 nan 8.210 nan 0.000 0.484 157 N N 2.535 121.303 118.700 0.114 0.000 2.497 157 N HA 0.441 5.181 4.740 0.000 0.000 0.268 157 N C -0.632 175.001 175.510 0.205 0.000 1.171 157 N CA 0.120 53.251 53.050 0.135 0.000 0.948 157 N CB 1.144 39.710 38.487 0.132 0.000 1.069 157 N HN 0.797 nan 8.380 nan 0.000 0.460 158 S N 1.079 116.854 115.700 0.124 0.000 2.565 158 S HA 0.688 5.158 4.470 0.000 0.000 0.269 158 S C -1.036 173.599 174.600 0.058 0.000 1.153 158 S CA -0.954 57.325 58.200 0.131 0.000 0.835 158 S CB 1.234 64.508 63.200 0.123 0.000 1.122 158 S HN 0.356 nan 8.310 nan 0.000 0.462 159 I N 2.297 122.888 120.570 0.036 0.000 2.571 159 I HA 0.598 4.768 4.170 0.000 0.000 0.289 159 I C -0.822 175.257 176.117 -0.063 0.000 1.115 159 I CA -0.823 60.457 61.300 -0.034 0.000 1.045 159 I CB 1.775 39.732 38.000 -0.071 0.000 1.238 159 I HN 0.932 nan 8.210 nan 0.000 0.424 160 I N 0.607 121.124 120.570 -0.088 0.000 3.102 160 I HA 0.578 4.748 4.170 0.000 0.000 0.310 160 I C -1.374 174.660 176.117 -0.137 0.000 1.246 160 I CA -0.886 60.368 61.300 -0.075 0.000 0.979 160 I CB 2.402 40.452 38.000 0.082 0.000 1.267 160 I HN 0.212 nan 8.210 nan 0.000 0.451 161 F N 1.249 121.265 119.950 0.110 0.000 2.410 161 F HA 0.250 4.777 4.527 -0.000 0.000 0.334 161 F C 1.440 177.303 175.800 0.105 0.000 1.134 161 F CA -0.016 58.037 58.000 0.088 0.000 1.227 161 F CB 1.322 40.378 39.000 0.093 0.000 1.194 161 F HN 0.532 nan 8.300 nan 0.000 0.571 162 S N 1.758 117.602 115.700 0.239 0.000 3.024 162 S HA -0.005 4.465 4.470 0.000 0.000 0.316 162 S C 1.125 175.766 174.600 0.069 0.000 1.197 162 S CA -0.513 57.725 58.200 0.064 0.000 1.097 162 S CB -0.933 62.278 63.200 0.017 0.000 1.471 162 S HN 0.690 nan 8.310 nan 0.000 0.543 163 H N 2.192 121.352 119.070 0.151 0.000 2.456 163 H HA -0.000 4.556 4.556 0.000 0.000 0.296 163 H C 1.772 177.162 175.328 0.104 0.000 1.079 163 H CA 1.591 57.713 56.048 0.124 0.000 1.322 163 H CB -0.203 29.573 29.762 0.024 0.000 1.388 163 H HN 0.590 nan 8.280 nan 0.000 0.538 164 E N 0.731 120.708 120.200 -0.371 0.000 2.058 164 E HA -0.168 4.182 4.350 0.000 0.000 0.194 164 E C 1.641 178.194 176.600 -0.078 0.000 0.997 164 E CA 1.632 57.976 56.400 -0.093 0.000 0.801 164 E CB -0.146 29.470 29.700 -0.141 0.000 0.746 164 E HN 0.562 nan 8.360 nan 0.000 0.450 165 D N -1.072 119.279 120.400 -0.081 0.000 2.149 165 D HA -0.066 4.574 4.640 0.000 0.000 0.201 165 D C 1.835 178.095 176.300 -0.068 0.000 0.972 165 D CA 1.220 55.166 54.000 -0.090 0.000 0.835 165 D CB -0.349 40.423 40.800 -0.047 0.000 0.966 165 D HN 0.342 nan 8.370 nan 0.000 0.476 166 G N 0.903 109.725 108.800 0.037 0.000 2.421 166 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 166 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 166 G C 1.770 176.787 174.900 0.195 0.000 1.171 166 G CA 1.955 47.113 45.100 0.097 0.000 0.775 166 G HN 0.369 nan 8.290 nan 0.000 0.543 167 T N -1.112 113.573 114.554 0.218 0.000 2.821 167 T HA -0.024 4.326 4.350 0.000 0.000 0.267 167 T C 2.218 176.996 174.700 0.131 0.000 1.046 167 T CA 1.210 63.489 62.100 0.298 0.000 1.139 167 T CB -0.150 68.826 68.868 0.180 0.000 0.871 167 T HN 0.295 nan 8.240 nan 0.000 0.454 168 R N 0.190 120.507 120.500 -0.304 0.000 2.066 168 R HA -0.006 4.334 4.340 0.000 0.000 0.232 168 R C 2.298 178.487 176.300 -0.186 0.000 1.131 168 R CA 1.009 56.725 56.100 -0.640 0.000 0.955 168 R CB -0.510 29.118 30.300 -1.120 0.000 0.851 168 R HN 0.284 nan 8.270 nan 0.000 0.432 169 L N 0.472 121.626 121.223 -0.115 0.000 2.013 169 L HA -0.109 4.231 4.340 0.000 0.000 0.212 169 L C 2.410 179.303 176.870 0.038 0.000 1.073 169 L CA 2.300 57.115 54.840 -0.043 0.000 0.753 169 L CB -1.339 40.677 42.059 -0.072 0.000 0.890 169 L HN 0.407 nan 8.230 nan 0.000 0.432 170 G N -1.617 107.240 108.800 0.096 0.000 2.433 170 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 170 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 170 G C 1.681 176.666 174.900 0.142 0.000 1.186 170 G CA 0.983 46.173 45.100 0.150 0.000 0.779 170 G HN 0.274 nan 8.290 nan 0.000 0.543 171 V N 0.885 120.890 119.914 0.151 0.000 2.295 171 V HA -0.189 3.931 4.120 0.000 0.000 0.246 171 V C 2.698 178.859 176.094 0.112 0.000 1.049 171 V CA 2.289 64.665 62.300 0.128 0.000 1.024 171 V CB -0.558 31.391 31.823 0.211 0.000 0.648 171 V HN 0.474 nan 8.190 nan 0.000 0.447 172 E N -0.880 119.380 120.200 0.101 0.000 2.153 172 E HA -0.265 4.085 4.350 0.000 0.000 0.194 172 E C 2.118 178.783 176.600 0.108 0.000 0.988 172 E CA 1.399 57.853 56.400 0.091 0.000 0.811 172 E CB -0.186 29.551 29.700 0.061 0.000 0.746 172 E HN 0.748 nan 8.360 nan 0.000 0.466 173 H N 0.800 119.885 119.070 0.026 0.000 2.326 173 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 173 H C 1.958 177.320 175.328 0.055 0.000 1.081 173 H CA 1.318 57.383 56.048 0.027 0.000 1.334 173 H CB -0.121 29.647 29.762 0.010 0.000 1.385 173 H HN 0.032 nan 8.280 nan 0.000 0.504 174 L N -0.622 120.612 121.223 0.018 0.000 2.083 174 L HA -0.146 4.194 4.340 0.000 0.000 0.209 174 L C 2.490 179.412 176.870 0.087 0.000 1.083 174 L CA 0.959 55.808 54.840 0.014 0.000 0.752 174 L CB -0.382 41.658 42.059 -0.031 0.000 0.899 174 L HN 0.213 nan 8.230 nan 0.000 0.433 175 V N 0.189 120.136 119.914 0.056 0.000 2.295 175 V HA -0.273 3.847 4.120 0.000 0.000 0.246 175 V C 2.748 178.847 176.094 0.008 0.000 1.049 175 V CA 1.805 64.134 62.300 0.047 0.000 1.024 175 V CB -0.803 31.055 31.823 0.058 0.000 0.648 175 V HN 0.483 nan 8.190 nan 0.000 0.447 176 A N -0.604 122.211 122.820 -0.008 0.000 2.024 176 A HA -0.150 4.170 4.320 0.000 0.000 0.220 176 A C 1.960 179.504 177.584 -0.068 0.000 1.164 176 A CA 1.492 53.512 52.037 -0.029 0.000 0.643 176 A CB -0.423 18.567 19.000 -0.016 0.000 0.806 176 A HN 0.422 nan 8.150 nan 0.000 0.451 177 L N -1.435 119.731 121.223 -0.095 0.000 2.554 177 L HA 0.221 4.561 4.340 0.000 0.000 0.226 177 L C 1.696 178.450 176.870 -0.193 0.000 1.137 177 L CA 1.131 55.898 54.840 -0.122 0.000 0.863 177 L CB -0.817 41.200 42.059 -0.069 0.000 0.985 177 L HN 0.680 nan 8.230 nan 0.000 0.451 178 G N -1.272 107.445 108.800 -0.138 0.000 2.132 178 G HA2 -0.238 3.722 3.960 0.000 0.000 0.228 178 G HA3 -0.238 3.722 3.960 0.000 0.000 0.228 178 G C 0.364 175.134 174.900 -0.218 0.000 1.000 178 G CA -0.210 44.791 45.100 -0.164 0.000 0.693 178 G HN 0.415 nan 8.290 nan 0.000 0.515 179 H N -0.065 118.978 119.070 -0.044 0.000 2.582 179 H HA 0.427 4.983 4.556 0.000 0.000 0.345 179 H C 1.119 176.433 175.328 -0.025 0.000 1.104 179 H CA 0.638 56.663 56.048 -0.037 0.000 1.390 179 H CB 1.252 30.985 29.762 -0.048 0.000 1.461 179 H HN 0.495 nan 8.280 nan 0.000 0.551 180 Q N 0.543 120.399 119.800 0.094 0.000 2.360 180 Q HA 0.058 4.398 4.340 0.000 0.000 0.261 180 Q C -0.162 175.865 176.000 0.046 0.000 0.802 180 Q CA -0.048 55.787 55.803 0.053 0.000 0.983 180 Q CB 1.209 29.962 28.738 0.025 0.000 1.211 180 Q HN 0.469 nan 8.270 nan 0.000 0.523 181 Q N 1.509 121.341 119.800 0.053 0.000 2.490 181 Q HA 0.362 4.702 4.340 0.000 0.000 0.226 181 Q C -0.703 175.305 176.000 0.013 0.000 1.132 181 Q CA 0.429 56.250 55.803 0.030 0.000 0.928 181 Q CB 0.501 29.256 28.738 0.029 0.000 1.299 181 Q HN 0.318 nan 8.270 nan 0.000 0.528 182 I N 0.976 121.538 120.570 -0.013 0.000 2.474 182 I HA 0.600 4.770 4.170 0.000 0.000 0.294 182 I C -0.122 175.946 176.117 -0.082 0.000 1.005 182 I CA -0.998 60.262 61.300 -0.066 0.000 1.113 182 I CB 1.965 39.918 38.000 -0.078 0.000 1.289 182 I HN 0.348 nan 8.210 nan 0.000 0.436 183 A N 7.109 129.857 122.820 -0.120 0.000 2.311 183 A HA 0.921 5.241 4.320 0.000 0.000 0.334 183 A C -0.893 176.571 177.584 -0.200 0.000 1.139 183 A CA -0.582 51.386 52.037 -0.115 0.000 0.830 183 A CB 1.187 20.132 19.000 -0.091 0.000 1.234 183 A HN 0.684 nan 8.150 nan 0.000 0.483 184 L N 1.335 122.455 121.223 -0.172 0.000 2.381 184 L HA 0.479 4.819 4.340 0.000 0.000 0.274 184 L C -1.293 175.509 176.870 -0.114 0.000 0.988 184 L CA -0.741 53.942 54.840 -0.261 0.000 0.824 184 L CB 1.790 43.742 42.059 -0.179 0.000 1.263 184 L HN 0.583 nan 8.230 nan 0.000 0.410 185 L N 3.682 124.840 121.223 -0.108 0.000 2.318 185 L HA 0.763 5.103 4.340 0.000 0.000 0.277 185 L C -0.051 176.913 176.870 0.156 0.000 1.008 185 L CA -0.170 54.678 54.840 0.012 0.000 0.846 185 L CB 1.077 43.135 42.059 -0.002 0.000 1.220 185 L HN 0.668 nan 8.230 nan 0.000 0.423 186 A N 3.224 126.127 122.820 0.139 0.000 2.256 186 A HA 0.860 5.180 4.320 0.000 0.000 0.318 186 A C 0.511 177.997 177.584 -0.164 0.000 1.103 186 A CA -0.052 52.045 52.037 0.100 0.000 0.860 186 A CB 0.485 19.518 19.000 0.056 0.000 1.182 186 A HN 0.834 nan 8.150 nan 0.000 0.501 187 G N -0.419 108.127 108.800 -0.423 0.000 2.588 187 G HA2 0.505 4.465 3.960 0.000 0.000 0.278 187 G HA3 0.505 4.465 3.960 0.000 0.000 0.278 187 G C -2.471 171.987 174.900 -0.736 0.000 1.307 187 G CA -1.226 43.246 45.100 -1.046 0.000 1.016 187 G HN 0.592 nan 8.290 nan 0.000 0.503 188 P HA 0.041 nan 4.420 nan 0.000 0.267 188 P C 0.629 177.753 177.300 -0.293 0.000 1.205 188 P CA -0.415 62.426 63.100 -0.432 0.000 0.765 188 P CB 1.264 32.738 31.700 -0.377 0.000 0.828 189 L N 3.584 124.698 121.223 -0.182 0.000 2.353 189 L HA -0.149 4.191 4.340 0.000 0.000 0.220 189 L C 2.392 179.208 176.870 -0.089 0.000 1.133 189 L CA 1.909 56.677 54.840 -0.121 0.000 0.798 189 L CB -1.801 40.211 42.059 -0.079 0.000 0.922 189 L HN 0.444 nan 8.230 nan 0.000 0.445 190 S N -3.277 112.371 115.700 -0.085 0.000 2.603 190 S HA 0.011 4.481 4.470 0.000 0.000 0.229 190 S C 1.123 175.696 174.600 -0.046 0.000 0.972 190 S CA 0.248 58.417 58.200 -0.052 0.000 0.935 190 S CB -0.332 62.844 63.200 -0.040 0.000 0.769 190 S HN 0.326 nan 8.310 nan 0.000 0.536 191 S N 0.621 116.291 115.700 -0.050 0.000 2.429 191 S HA 0.430 4.900 4.470 0.000 0.000 0.302 191 S C 1.067 175.667 174.600 -0.000 0.000 1.115 191 S CA -0.779 57.431 58.200 0.016 0.000 1.095 191 S CB 1.100 64.389 63.200 0.149 0.000 0.987 191 S HN 0.133 nan 8.310 nan 0.000 0.474 192 V N 5.170 125.085 119.914 0.002 0.000 2.287 192 V HA -0.121 3.999 4.120 0.000 0.000 0.248 192 V C 2.731 178.804 176.094 -0.036 0.000 1.053 192 V CA 2.360 64.647 62.300 -0.022 0.000 1.027 192 V CB -1.119 30.700 31.823 -0.007 0.000 0.646 192 V HN 0.926 nan 8.190 nan 0.000 0.447 193 S N -0.455 115.263 115.700 0.030 0.000 2.370 193 S HA -0.218 4.252 4.470 0.000 0.000 0.226 193 S C 2.149 176.743 174.600 -0.010 0.000 1.033 193 S CA 1.666 59.886 58.200 0.034 0.000 1.011 193 S CB -0.380 62.902 63.200 0.138 0.000 0.852 193 S HN 0.638 nan 8.310 nan 0.000 0.457 194 A N 1.815 124.671 122.820 0.060 0.000 1.883 194 A HA -0.114 4.206 4.320 0.000 0.000 0.217 194 A C 2.218 179.677 177.584 -0.210 0.000 1.186 194 A CA 1.508 53.480 52.037 -0.109 0.000 0.624 194 A CB -0.623 18.206 19.000 -0.285 0.000 0.822 194 A HN 0.620 nan 8.150 nan 0.000 0.444 195 R N -0.515 119.890 120.500 -0.158 0.000 2.096 195 R HA -0.038 4.302 4.340 0.000 0.000 0.235 195 R C 2.060 178.235 176.300 -0.209 0.000 1.127 195 R CA 1.375 57.383 56.100 -0.152 0.000 0.968 195 R CB -0.574 29.664 30.300 -0.103 0.000 0.861 195 R HN 0.515 nan 8.270 nan 0.000 0.440 196 L N 0.260 121.318 121.223 -0.274 0.000 2.046 196 L HA -0.176 4.164 4.340 0.000 0.000 0.208 196 L C 2.566 179.190 176.870 -0.409 0.000 1.077 196 L CA 1.487 56.055 54.840 -0.453 0.000 0.747 196 L CB -0.383 41.239 42.059 -0.729 0.000 0.896 196 L HN 0.163 nan 8.230 nan 0.000 0.432 197 R N -0.302 119.921 120.500 -0.462 0.000 2.092 197 R HA -0.104 4.236 4.340 0.000 0.000 0.231 197 R C 2.317 178.043 176.300 -0.958 0.000 1.119 197 R CA 0.925 56.575 56.100 -0.751 0.000 0.970 197 R CB -0.300 29.401 30.300 -0.998 0.000 0.864 197 R HN 0.313 nan 8.270 nan 0.000 0.440 198 L N 0.472 121.327 121.223 -0.614 0.000 1.994 198 L HA -0.195 4.145 4.340 0.000 0.000 0.208 198 L C 2.458 179.240 176.870 -0.146 0.000 1.071 198 L CA 1.582 56.226 54.840 -0.326 0.000 0.745 198 L CB -0.500 41.490 42.059 -0.116 0.000 0.892 198 L HN 0.252 nan 8.230 nan 0.000 0.431 199 A N -0.192 122.587 122.820 -0.068 0.000 1.908 199 A HA -0.202 4.118 4.320 0.000 0.000 0.218 199 A C 2.270 179.915 177.584 0.101 0.000 1.181 199 A CA 1.832 53.910 52.037 0.068 0.000 0.627 199 A CB -1.383 17.629 19.000 0.020 0.000 0.818 199 A HN 0.560 nan 8.150 nan 0.000 0.445 200 G N -1.397 107.428 108.800 0.042 0.000 2.446 200 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 200 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 200 G C 1.384 176.483 174.900 0.330 0.000 1.168 200 G CA 0.975 46.198 45.100 0.205 0.000 0.771 200 G HN 0.584 nan 8.290 nan 0.000 0.551 201 W N 0.632 122.015 121.300 0.139 0.000 2.355 201 W HA 0.019 4.679 4.660 -0.000 0.000 0.309 201 W C 2.415 178.989 176.519 0.091 0.000 1.206 201 W CA 0.984 58.382 57.345 0.087 0.000 1.284 201 W CB -1.367 28.053 29.460 -0.066 0.000 1.145 201 W HN 0.463 nan 8.180 nan 0.000 0.502 202 H N -0.154 119.110 119.070 0.324 0.000 2.319 202 H HA -0.181 4.375 4.556 0.000 0.000 0.299 202 H C 2.279 177.672 175.328 0.108 0.000 1.092 202 H CA 2.236 58.391 56.048 0.177 0.000 1.302 202 H CB -0.104 29.728 29.762 0.117 0.000 1.373 202 H HN -0.011 nan 8.280 nan 0.000 0.497 203 K N 0.564 121.080 120.400 0.192 0.000 2.001 203 K HA -0.229 4.091 4.320 0.000 0.000 0.214 203 K C 1.494 178.004 176.600 -0.150 0.000 1.050 203 K CA 1.928 58.189 56.287 -0.043 0.000 0.934 203 K CB -0.234 32.154 32.500 -0.187 0.000 0.718 203 K HN 0.324 nan 8.250 nan 0.000 0.443 204 Y N 0.714 121.110 120.300 0.160 0.000 2.457 204 Y HA -0.010 4.540 4.550 0.000 0.000 0.292 204 Y C 1.955 177.932 175.900 0.129 0.000 1.125 204 Y CA 0.508 58.691 58.100 0.137 0.000 1.254 204 Y CB 0.069 38.618 38.460 0.149 0.000 1.012 204 Y HN 0.037 nan 8.280 nan 0.000 0.555 205 L N -1.156 120.218 121.223 0.252 0.000 2.109 205 L HA -0.175 4.165 4.340 0.000 0.000 0.207 205 L C 2.282 179.228 176.870 0.128 0.000 1.086 205 L CA 1.314 56.263 54.840 0.181 0.000 0.760 205 L CB -0.618 41.547 42.059 0.178 0.000 0.910 205 L HN 0.152 nan 8.230 nan 0.000 0.437 206 T N -0.569 114.051 114.554 0.110 0.000 2.708 206 T HA -0.173 4.177 4.350 0.000 0.000 0.266 206 T C 1.872 176.597 174.700 0.042 0.000 1.037 206 T CA 1.129 63.266 62.100 0.061 0.000 1.146 206 T CB -0.146 68.742 68.868 0.035 0.000 0.865 206 T HN 0.255 nan 8.240 nan 0.000 0.435 207 R N 1.064 121.583 120.500 0.031 0.000 2.341 207 R HA 0.032 4.372 4.340 0.000 0.000 0.213 207 R C 0.697 177.035 176.300 0.064 0.000 1.082 207 R CA 0.784 56.904 56.100 0.033 0.000 1.017 207 R CB -0.137 30.176 30.300 0.022 0.000 0.860 207 R HN 0.368 nan 8.270 nan 0.000 0.473 208 N N 0.057 118.804 118.700 0.078 0.000 2.235 208 N HA 0.035 4.775 4.740 0.000 0.000 0.231 208 N C -0.926 174.618 175.510 0.056 0.000 1.177 208 N CA -0.181 52.913 53.050 0.073 0.000 0.874 208 N CB 0.908 39.451 38.487 0.092 0.000 1.097 208 N HN -0.047 nan 8.380 nan 0.000 0.518 209 Q N 0.147 119.976 119.800 0.049 0.000 2.452 209 Q HA -0.174 4.166 4.340 0.000 0.000 0.318 209 Q C -0.969 175.056 176.000 0.042 0.000 1.386 209 Q CA 0.772 56.598 55.803 0.038 0.000 0.872 209 Q CB -1.569 27.186 28.738 0.029 0.000 1.151 209 Q HN 0.496 nan 8.270 nan 0.000 0.417 210 I N 0.309 120.911 120.570 0.055 0.000 2.608 210 I HA 0.326 4.497 4.170 0.000 0.000 0.295 210 I C 0.022 176.178 176.117 0.065 0.000 1.049 210 I CA -0.830 60.503 61.300 0.055 0.000 1.063 210 I CB 2.084 40.120 38.000 0.061 0.000 1.248 210 I HN 0.097 nan 8.210 nan 0.000 0.424 211 Q N 6.385 126.218 119.800 0.055 0.000 2.325 211 Q HA 0.391 4.731 4.340 0.000 0.000 0.270 211 Q C -2.420 173.617 176.000 0.061 0.000 1.020 211 Q CA -1.879 53.963 55.803 0.065 0.000 0.785 211 Q CB 2.176 30.939 28.738 0.042 0.000 1.259 211 Q HN 0.328 nan 8.270 nan 0.000 0.452 212 P HA -0.053 nan 4.420 nan 0.000 0.264 212 P C 0.370 177.691 177.300 0.035 0.000 1.183 212 P CA 0.428 63.557 63.100 0.049 0.000 0.763 212 P CB 0.597 32.341 31.700 0.074 0.000 0.807 213 I N -0.525 120.051 120.570 0.010 0.000 3.564 213 I HA 0.410 4.580 4.170 0.000 0.000 0.294 213 I C 0.406 176.524 176.117 0.001 0.000 1.289 213 I CA -0.036 61.268 61.300 0.006 0.000 1.325 213 I CB -0.038 37.961 38.000 -0.001 0.000 1.039 213 I HN 0.250 nan 8.210 nan 0.000 0.474 214 A N 1.414 124.235 122.820 0.000 0.000 2.599 214 A HA 0.683 5.003 4.320 0.000 0.000 0.294 214 A C -1.123 176.464 177.584 0.004 0.000 1.055 214 A CA -0.519 51.516 52.037 -0.003 0.000 0.683 214 A CB 1.285 20.271 19.000 -0.023 0.000 1.278 214 A HN 0.359 nan 8.150 nan 0.000 0.412 215 E N 1.371 121.580 120.200 0.015 0.000 2.466 215 E HA 0.441 4.791 4.350 0.000 0.000 0.308 215 E C -0.975 175.638 176.600 0.022 0.000 0.933 215 E CA -0.615 55.804 56.400 0.033 0.000 0.800 215 E CB 0.739 30.500 29.700 0.101 0.000 1.434 215 E HN 0.655 nan 8.360 nan 0.000 0.389 216 R N 2.590 123.092 120.500 0.004 0.000 2.902 216 R HA 0.513 4.853 4.340 0.000 0.000 0.258 216 R C -0.556 175.738 176.300 -0.009 0.000 1.071 216 R CA -0.897 55.198 56.100 -0.007 0.000 1.024 216 R CB 1.327 31.613 30.300 -0.023 0.000 1.184 216 R HN 0.600 nan 8.270 nan 0.000 0.492 217 E N -0.053 120.129 120.200 -0.030 0.000 2.210 217 E HA 0.492 4.842 4.350 0.000 0.000 0.266 217 E C -0.742 175.811 176.600 -0.080 0.000 0.883 217 E CA -0.595 55.766 56.400 -0.065 0.000 0.761 217 E CB 1.811 31.468 29.700 -0.072 0.000 1.156 217 E HN 0.723 nan 8.360 nan 0.000 0.412 218 G N 1.938 110.666 108.800 -0.119 0.000 2.990 218 G HA2 0.266 4.226 3.960 0.000 0.000 0.208 218 G HA3 0.266 4.226 3.960 0.000 0.000 0.208 218 G C -0.311 174.479 174.900 -0.184 0.000 1.334 218 G CA -0.215 44.825 45.100 -0.100 0.000 1.024 218 G HN 0.679 nan 8.290 nan 0.000 0.574 219 D N -3.371 116.951 120.400 -0.129 0.000 2.620 219 D HA 0.083 4.723 4.640 0.000 0.000 0.260 219 D C 0.461 176.776 176.300 0.026 0.000 1.367 219 D CA -0.726 53.179 54.000 -0.158 0.000 0.805 219 D CB -0.611 40.172 40.800 -0.029 0.000 1.096 219 D HN 0.738 nan 8.370 nan 0.000 0.488 220 W N 0.029 121.352 121.300 0.039 0.000 0.780 220 W HA -0.289 4.371 4.660 0.000 0.000 0.224 220 W C 0.595 177.146 176.519 0.052 0.000 0.943 220 W CA 0.388 57.763 57.345 0.049 0.000 0.351 220 W CB -1.642 27.842 29.460 0.040 0.000 1.941 220 W HN 0.202 nan 8.180 nan 0.000 1.132 221 S N 1.133 116.993 115.700 0.267 0.000 2.592 221 S HA 0.687 5.157 4.470 0.000 0.000 0.271 221 S C 1.006 175.687 174.600 0.136 0.000 1.326 221 S CA -0.036 58.266 58.200 0.170 0.000 1.024 221 S CB 1.881 65.154 63.200 0.123 0.000 0.921 221 S HN 0.612 nan 8.310 nan 0.000 0.527 222 A N 2.799 125.678 122.820 0.099 0.000 1.933 222 A HA -0.076 4.244 4.320 0.000 0.000 0.218 222 A C 2.067 179.707 177.584 0.094 0.000 1.175 222 A CA 1.805 53.886 52.037 0.073 0.000 0.628 222 A CB -0.902 18.104 19.000 0.010 0.000 0.814 222 A HN 0.892 nan 8.150 nan 0.000 0.444 223 M N 1.029 120.678 119.600 0.082 0.000 2.117 223 M HA -0.136 4.344 4.480 0.000 0.000 0.262 223 M C 2.349 178.743 176.300 0.158 0.000 1.065 223 M CA 2.251 57.620 55.300 0.115 0.000 1.114 223 M CB -0.642 32.002 32.600 0.072 0.000 1.361 223 M HN 0.575 nan 8.290 nan 0.000 0.408 224 S N -1.074 114.691 115.700 0.109 0.000 2.383 224 S HA -0.036 4.434 4.470 0.000 0.000 0.227 224 S C 2.195 176.842 174.600 0.078 0.000 1.026 224 S CA 1.143 59.390 58.200 0.078 0.000 0.981 224 S CB -1.694 61.536 63.200 0.049 0.000 0.818 224 S HN 0.551 nan 8.310 nan 0.000 0.472 225 G N 0.631 109.493 108.800 0.102 0.000 2.422 225 G HA2 -0.128 3.832 3.960 0.000 0.000 0.218 225 G HA3 -0.128 3.832 3.960 0.000 0.000 0.218 225 G C 1.190 176.150 174.900 0.101 0.000 1.146 225 G CA 0.826 45.981 45.100 0.091 0.000 0.769 225 G HN 0.528 nan 8.290 nan 0.000 0.547 226 F N 1.205 121.152 119.950 -0.006 0.000 2.084 226 F HA -0.013 4.514 4.527 -0.000 0.000 0.296 226 F C 2.943 178.737 175.800 -0.011 0.000 1.111 226 F CA 1.957 59.948 58.000 -0.014 0.000 1.224 226 F CB -0.367 38.623 39.000 -0.018 0.000 0.991 226 F HN 0.183 nan 8.300 nan 0.000 0.471 227 Q N -0.257 119.531 119.800 -0.020 0.000 2.050 227 Q HA -0.238 4.102 4.340 0.000 0.000 0.202 227 Q C 2.280 178.191 176.000 -0.148 0.000 0.980 227 Q CA 1.814 57.542 55.803 -0.124 0.000 0.840 227 Q CB -0.305 28.450 28.738 0.028 0.000 0.898 227 Q HN 0.437 nan 8.270 nan 0.000 0.424 228 Q N -0.298 119.455 119.800 -0.078 0.000 2.050 228 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 228 Q C 2.107 178.045 176.000 -0.103 0.000 0.980 228 Q CA 1.670 57.430 55.803 -0.072 0.000 0.840 228 Q CB -0.505 28.209 28.738 -0.039 0.000 0.898 228 Q HN 0.381 nan 8.270 nan 0.000 0.424 229 T N 1.029 115.510 114.554 -0.121 0.000 2.962 229 T HA -0.043 4.307 4.350 0.000 0.000 0.270 229 T C 1.755 176.342 174.700 -0.188 0.000 1.088 229 T CA 0.658 62.681 62.100 -0.128 0.000 1.127 229 T CB 0.027 68.836 68.868 -0.098 0.000 0.883 229 T HN 0.093 nan 8.240 nan 0.000 0.493 230 M N 1.089 120.510 119.600 -0.299 0.000 2.160 230 M HA 0.030 4.510 4.480 0.000 0.000 0.264 230 M C 2.331 178.520 176.300 -0.185 0.000 1.073 230 M CA 1.399 56.506 55.300 -0.321 0.000 1.142 230 M CB -1.011 31.277 32.600 -0.521 0.000 1.358 230 M HN 0.298 nan 8.290 nan 0.000 0.422 231 Q N -0.449 119.259 119.800 -0.152 0.000 2.061 231 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 231 Q C 2.092 178.045 176.000 -0.077 0.000 0.984 231 Q CA 1.933 57.679 55.803 -0.095 0.000 0.846 231 Q CB -0.355 28.339 28.738 -0.074 0.000 0.902 231 Q HN 0.498 nan 8.270 nan 0.000 0.421 232 M N 0.549 120.101 119.600 -0.079 0.000 2.080 232 M HA -0.219 4.261 4.480 0.000 0.000 0.260 232 M C 1.847 178.111 176.300 -0.059 0.000 1.068 232 M CA 1.634 56.897 55.300 -0.062 0.000 1.109 232 M CB -0.023 32.540 32.600 -0.062 0.000 1.342 232 M HN 0.213 nan 8.290 nan 0.000 0.405 233 L N 0.269 121.448 121.223 -0.073 0.000 2.141 233 L HA -0.195 4.145 4.340 0.000 0.000 0.209 233 L C 1.974 178.812 176.870 -0.053 0.000 1.094 233 L CA 0.726 55.529 54.840 -0.061 0.000 0.763 233 L CB -0.904 41.112 42.059 -0.071 0.000 0.908 233 L HN 0.397 nan 8.230 nan 0.000 0.437 234 N N 0.235 118.898 118.700 -0.062 0.000 2.396 234 N HA -0.130 4.610 4.740 0.000 0.000 0.180 234 N C 1.136 176.624 175.510 -0.036 0.000 1.028 234 N CA 0.861 53.881 53.050 -0.049 0.000 0.893 234 N CB 0.021 38.476 38.487 -0.054 0.000 0.967 234 N HN 0.461 nan 8.380 nan 0.000 0.440 235 E N -0.212 119.966 120.200 -0.037 0.000 2.445 235 E HA 0.145 4.495 4.350 0.000 0.000 0.189 235 E C 0.806 177.392 176.600 -0.023 0.000 1.069 235 E CA -0.033 56.350 56.400 -0.028 0.000 0.871 235 E CB -0.003 29.681 29.700 -0.027 0.000 0.991 235 E HN 0.317 nan 8.360 nan 0.000 0.481 236 G N 1.676 110.462 108.800 -0.025 0.000 2.189 236 G HA2 -0.317 3.643 3.960 0.000 0.000 0.267 236 G HA3 -0.317 3.643 3.960 0.000 0.000 0.267 236 G C 0.350 175.238 174.900 -0.019 0.000 0.975 236 G CA 0.056 45.144 45.100 -0.020 0.000 0.644 236 G HN 0.317 nan 8.290 nan 0.000 0.537 237 I N 1.151 121.707 120.570 -0.023 0.000 2.308 237 I HA 0.412 4.582 4.170 0.000 0.000 0.293 237 I C 0.260 176.362 176.117 -0.025 0.000 1.078 237 I CA -0.316 60.971 61.300 -0.021 0.000 1.292 237 I CB 1.476 39.462 38.000 -0.023 0.000 1.423 237 I HN -0.016 nan 8.210 nan 0.000 0.493 238 V N 9.858 129.761 119.914 -0.019 0.000 2.340 238 V HA 0.473 4.593 4.120 0.000 0.000 0.277 238 V C -1.911 174.175 176.094 -0.013 0.000 1.017 238 V CA -1.517 60.772 62.300 -0.019 0.000 0.820 238 V CB 1.391 33.205 31.823 -0.015 0.000 1.028 238 V HN 0.560 nan 8.190 nan 0.000 0.436 239 P HA 0.282 nan 4.420 nan 0.000 0.277 239 P C 0.485 177.786 177.300 0.002 0.000 1.276 239 P CA 0.217 63.309 63.100 -0.014 0.000 0.788 239 P CB 1.093 32.770 31.700 -0.039 0.000 1.114 240 T N -4.335 110.237 114.554 0.031 0.000 3.054 240 T HA 0.574 4.924 4.350 0.000 0.000 0.255 240 T C 0.416 175.106 174.700 -0.017 0.000 1.035 240 T CA 0.052 62.208 62.100 0.094 0.000 0.941 240 T CB -0.141 68.870 68.868 0.238 0.000 1.026 240 T HN 0.715 nan 8.240 nan 0.000 0.533 241 A N 0.893 123.627 122.820 -0.145 0.000 2.594 241 A HA 0.751 5.071 4.320 0.000 0.000 0.296 241 A C -1.442 176.012 177.584 -0.217 0.000 1.061 241 A CA -0.983 50.862 52.037 -0.320 0.000 0.689 241 A CB 1.285 19.858 19.000 -0.712 0.000 1.280 241 A HN 0.323 nan 8.150 nan 0.000 0.406 242 M N 1.654 121.130 119.600 -0.207 0.000 2.457 242 M HA 0.507 4.987 4.480 0.000 0.000 0.300 242 M C -1.415 174.735 176.300 -0.251 0.000 1.141 242 M CA -0.289 54.888 55.300 -0.205 0.000 0.901 242 M CB 2.177 34.695 32.600 -0.136 0.000 1.687 242 M HN 0.559 nan 8.290 nan 0.000 0.449 243 L N 3.416 124.384 121.223 -0.424 0.000 2.280 243 L HA 0.651 4.991 4.340 0.000 0.000 0.287 243 L C -0.917 175.629 176.870 -0.539 0.000 1.023 243 L CA -0.854 53.631 54.840 -0.593 0.000 0.819 243 L CB 1.514 42.802 42.059 -1.286 0.000 1.212 243 L HN 0.405 nan 8.230 nan 0.000 0.420 244 V N 1.958 121.835 119.914 -0.063 0.000 2.581 244 V HA 0.380 4.500 4.120 0.000 0.000 0.303 244 V C 0.959 177.367 176.094 0.524 0.000 1.041 244 V CA -0.415 61.989 62.300 0.173 0.000 0.907 244 V CB 1.610 33.520 31.823 0.144 0.000 0.994 244 V HN 0.885 nan 8.190 nan 0.000 0.442 245 A N 3.451 126.621 122.820 0.583 0.000 2.070 245 A HA 0.001 4.321 4.320 0.000 0.000 0.220 245 A C 0.846 178.738 177.584 0.514 0.000 1.159 245 A CA 1.737 54.058 52.037 0.474 0.000 0.656 245 A CB -0.564 18.586 19.000 0.251 0.000 0.800 245 A HN 1.067 nan 8.150 nan 0.000 0.453 246 N N -2.673 116.325 118.700 0.497 0.000 2.823 246 N HA 0.115 4.855 4.740 0.000 0.000 0.251 246 N C -0.920 174.781 175.510 0.318 0.000 1.392 246 N CA -0.241 53.064 53.050 0.425 0.000 0.864 246 N CB 0.104 38.828 38.487 0.396 0.000 1.481 246 N HN -0.162 nan 8.380 nan 0.000 0.508 247 D N 0.433 120.980 120.400 0.245 0.000 2.149 247 D HA -0.139 4.501 4.640 0.000 0.000 0.198 247 D C 1.317 177.794 176.300 0.294 0.000 0.990 247 D CA 1.686 55.831 54.000 0.242 0.000 0.839 247 D CB 0.121 40.996 40.800 0.126 0.000 0.948 247 D HN 0.623 nan 8.370 nan 0.000 0.460 248 Q N -0.330 119.601 119.800 0.218 0.000 2.050 248 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 248 Q C 2.318 178.408 176.000 0.150 0.000 0.980 248 Q CA 1.055 56.961 55.803 0.171 0.000 0.840 248 Q CB -0.073 28.745 28.738 0.134 0.000 0.898 248 Q HN 0.319 nan 8.270 nan 0.000 0.424 249 M N -0.343 119.377 119.600 0.199 0.000 2.229 249 M HA -0.094 4.386 4.480 0.000 0.000 0.264 249 M C 2.291 178.669 176.300 0.131 0.000 1.063 249 M CA 1.114 56.512 55.300 0.164 0.000 1.114 249 M CB -0.225 32.487 32.600 0.186 0.000 1.387 249 M HN 0.239 nan 8.290 nan 0.000 0.420 250 A N 0.581 123.498 122.820 0.161 0.000 1.933 250 A HA -0.170 4.150 4.320 0.000 0.000 0.218 250 A C 2.100 179.729 177.584 0.075 0.000 1.175 250 A CA 1.338 53.457 52.037 0.137 0.000 0.628 250 A CB -0.751 18.366 19.000 0.195 0.000 0.814 250 A HN 0.447 nan 8.150 nan 0.000 0.444 251 L N 0.064 121.293 121.223 0.010 0.000 2.017 251 L HA -0.043 4.297 4.340 0.000 0.000 0.208 251 L C 2.402 179.211 176.870 -0.102 0.000 1.073 251 L CA 2.401 57.089 54.840 -0.252 0.000 0.745 251 L CB -0.977 40.782 42.059 -0.501 0.000 0.894 251 L HN 0.291 nan 8.230 nan 0.000 0.432 252 G N -1.228 107.575 108.800 0.004 0.000 2.422 252 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 252 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 252 G C 1.594 176.599 174.900 0.174 0.000 1.146 252 G CA 0.791 45.961 45.100 0.116 0.000 0.769 252 G HN 0.646 nan 8.290 nan 0.000 0.547 253 A N 0.781 123.656 122.820 0.092 0.000 1.877 253 A HA 0.013 4.333 4.320 0.000 0.000 0.216 253 A C 2.464 180.082 177.584 0.056 0.000 1.186 253 A CA 1.847 53.917 52.037 0.056 0.000 0.620 253 A CB -0.390 18.628 19.000 0.029 0.000 0.822 253 A HN 0.376 nan 8.150 nan 0.000 0.443 254 M N -1.337 118.288 119.600 0.043 0.000 2.149 254 M HA -0.161 4.319 4.480 0.000 0.000 0.261 254 M C 2.411 178.743 176.300 0.054 0.000 1.064 254 M CA 1.505 56.824 55.300 0.031 0.000 1.102 254 M CB -0.333 32.270 32.600 0.006 0.000 1.369 254 M HN 0.347 nan 8.290 nan 0.000 0.408 255 R N 0.607 121.158 120.500 0.086 0.000 2.070 255 R HA -0.117 4.223 4.340 0.000 0.000 0.233 255 R C 2.195 178.655 176.300 0.266 0.000 1.137 255 R CA 1.915 58.096 56.100 0.135 0.000 0.945 255 R CB -0.546 29.806 30.300 0.087 0.000 0.845 255 R HN 0.407 nan 8.270 nan 0.000 0.430 256 A N 1.208 124.234 122.820 0.343 0.000 1.883 256 A HA -0.164 4.156 4.320 0.000 0.000 0.217 256 A C 2.318 179.923 177.584 0.035 0.000 1.186 256 A CA 1.492 53.586 52.037 0.095 0.000 0.624 256 A CB -0.570 18.303 19.000 -0.212 0.000 0.822 256 A HN 0.330 nan 8.150 nan 0.000 0.444 257 I N -0.571 120.017 120.570 0.031 0.000 2.127 257 I HA -0.252 3.918 4.170 0.000 0.000 0.241 257 I C 2.652 178.786 176.117 0.028 0.000 1.075 257 I CA 1.911 63.219 61.300 0.013 0.000 1.334 257 I CB -0.804 37.203 38.000 0.011 0.000 1.040 257 I HN 0.279 nan 8.210 nan 0.000 0.405 258 T N 0.128 114.709 114.554 0.044 0.000 2.708 258 T HA -0.191 4.159 4.350 0.000 0.000 0.266 258 T C 1.553 176.281 174.700 0.047 0.000 1.037 258 T CA 1.277 63.402 62.100 0.040 0.000 1.146 258 T CB -0.324 68.566 68.868 0.036 0.000 0.865 258 T HN 0.398 nan 8.240 nan 0.000 0.435 259 E N 0.893 121.141 120.200 0.079 0.000 2.516 259 E HA 0.046 4.396 4.350 0.000 0.000 0.199 259 E C 1.470 178.104 176.600 0.057 0.000 1.069 259 E CA 0.150 56.600 56.400 0.084 0.000 0.876 259 E CB 0.040 29.834 29.700 0.157 0.000 0.843 259 E HN 0.283 nan 8.360 nan 0.000 0.530 260 S N -0.924 114.797 115.700 0.035 0.000 2.540 260 S HA 0.182 4.652 4.470 0.000 0.000 0.218 260 S C 1.227 175.834 174.600 0.010 0.000 0.977 260 S CA 0.416 58.623 58.200 0.012 0.000 0.918 260 S CB 1.131 64.327 63.200 -0.007 0.000 0.806 260 S HN 0.490 nan 8.310 nan 0.000 0.496 261 G N 1.283 110.092 108.800 0.016 0.000 2.175 261 G HA2 -0.192 3.768 3.960 0.000 0.000 0.244 261 G HA3 -0.192 3.768 3.960 0.000 0.000 0.244 261 G C -0.057 174.850 174.900 0.011 0.000 0.982 261 G CA -0.223 44.885 45.100 0.012 0.000 0.641 261 G HN 0.422 nan 8.290 nan 0.000 0.527 262 L N 0.408 121.638 121.223 0.011 0.000 2.344 262 L HA 0.632 4.972 4.340 0.000 0.000 0.272 262 L C 0.820 177.699 176.870 0.015 0.000 1.035 262 L CA -1.094 53.752 54.840 0.011 0.000 0.807 262 L CB 1.169 43.232 42.059 0.006 0.000 1.237 262 L HN 0.051 nan 8.230 nan 0.000 0.442 263 R N 1.450 121.960 120.500 0.016 0.000 2.207 263 R HA 0.354 4.694 4.340 0.000 0.000 0.334 263 R C -0.824 175.490 176.300 0.023 0.000 1.013 263 R CA -0.759 55.353 56.100 0.020 0.000 0.858 263 R CB 1.339 31.651 30.300 0.020 0.000 1.094 263 R HN 0.293 nan 8.270 nan 0.000 0.457 264 V N 3.558 123.487 119.914 0.025 0.000 2.599 264 V HA 0.071 4.191 4.120 0.000 0.000 0.300 264 V C 1.452 177.565 176.094 0.032 0.000 1.034 264 V CA 1.855 64.171 62.300 0.026 0.000 1.115 264 V CB 0.536 32.378 31.823 0.032 0.000 0.934 264 V HN 1.171 nan 8.190 nan 0.000 0.485 265 G N 4.771 113.591 108.800 0.033 0.000 4.686 265 G HA2 -0.234 3.726 3.960 0.000 0.000 0.235 265 G HA3 -0.234 3.726 3.960 0.000 0.000 0.235 265 G C 1.126 176.060 174.900 0.055 0.000 1.589 265 G CA 0.414 45.541 45.100 0.045 0.000 1.172 265 G HN 1.301 nan 8.290 nan 0.000 0.660 266 A N -0.011 122.835 122.820 0.042 0.000 1.902 266 A HA 0.129 4.449 4.320 0.000 0.000 0.217 266 A C 1.923 179.532 177.584 0.041 0.000 1.181 266 A CA 2.730 54.790 52.037 0.038 0.000 0.623 266 A CB -0.413 18.602 19.000 0.025 0.000 0.818 266 A HN 0.540 nan 8.150 nan 0.000 0.443 267 D N -1.294 119.128 120.400 0.037 0.000 2.566 267 D HA 0.230 4.870 4.640 0.000 0.000 0.253 267 D C 0.353 176.680 176.300 0.044 0.000 0.992 267 D CA 0.624 54.645 54.000 0.034 0.000 0.940 267 D CB 0.249 41.061 40.800 0.020 0.000 1.095 267 D HN 0.362 nan 8.370 nan 0.000 0.480 268 I N 1.278 121.865 120.570 0.028 0.000 2.448 268 I HA 0.157 4.327 4.170 0.000 0.000 0.281 268 I C -0.296 175.812 176.117 -0.016 0.000 1.027 268 I CA -0.350 60.953 61.300 0.005 0.000 1.111 268 I CB 2.036 40.028 38.000 -0.013 0.000 1.236 268 I HN -0.277 nan 8.210 nan 0.000 0.452 269 S N 4.280 119.945 115.700 -0.059 0.000 2.593 269 S HA 0.553 5.023 4.470 0.000 0.000 0.269 269 S C -0.084 174.451 174.600 -0.108 0.000 1.334 269 S CA -0.420 57.726 58.200 -0.090 0.000 1.015 269 S CB 1.558 64.636 63.200 -0.202 0.000 0.912 269 S HN 0.355 nan 8.310 nan 0.000 0.541 270 V N 2.200 122.084 119.914 -0.050 0.000 2.888 270 V HA 0.548 4.668 4.120 0.000 0.000 0.309 270 V C -0.851 175.245 176.094 0.003 0.000 1.114 270 V CA -0.677 61.604 62.300 -0.032 0.000 0.940 270 V CB 2.129 33.957 31.823 0.009 0.000 1.021 270 V HN 0.629 nan 8.190 nan 0.000 0.426 271 V N 2.455 122.370 119.914 0.001 0.000 2.588 271 V HA 0.885 5.005 4.120 0.000 0.000 0.304 271 V C 0.541 176.696 176.094 0.101 0.000 1.042 271 V CA 0.008 62.334 62.300 0.043 0.000 0.877 271 V CB 1.783 33.631 31.823 0.041 0.000 0.996 271 V HN 1.024 nan 8.190 nan 0.000 0.425 272 G N 1.898 110.771 108.800 0.122 0.000 2.938 272 G HA2 0.666 4.626 3.960 0.000 0.000 0.258 272 G HA3 0.666 4.626 3.960 0.000 0.000 0.258 272 G C -2.063 172.992 174.900 0.258 0.000 1.356 272 G CA -0.539 44.682 45.100 0.202 0.000 1.052 272 G HN 0.492 nan 8.290 nan 0.000 0.550 273 Y N -0.879 119.504 120.300 0.139 0.000 2.441 273 Y HA 0.448 4.998 4.550 0.000 0.000 0.334 273 Y C 0.043 175.976 175.900 0.054 0.000 1.061 273 Y CA -0.183 57.980 58.100 0.106 0.000 1.032 273 Y CB 2.328 40.903 38.460 0.191 0.000 1.266 273 Y HN 0.686 nan 8.280 nan 0.000 0.441 274 D N 1.184 121.566 120.400 -0.029 0.000 1.798 274 D HA -0.172 4.468 4.640 0.000 0.000 0.257 274 D C -0.357 175.838 176.300 -0.174 0.000 0.691 274 D CA 1.376 55.354 54.000 -0.036 0.000 1.306 274 D CB -0.894 40.011 40.800 0.176 0.000 1.429 274 D HN 0.637 nan 8.370 nan 0.000 0.772 275 D N 0.758 121.081 120.400 -0.129 0.000 2.737 275 D HA -0.133 4.507 4.640 0.000 0.000 0.243 275 D C -0.161 176.084 176.300 -0.092 0.000 1.109 275 D CA 1.511 55.421 54.000 -0.150 0.000 0.702 275 D CB -1.370 39.310 40.800 -0.201 0.000 1.068 275 D HN 0.503 nan 8.370 nan 0.000 0.432 276 T N -2.509 112.008 114.554 -0.062 0.000 2.795 276 T HA 0.157 4.507 4.350 0.000 0.000 0.314 276 T C 1.465 176.118 174.700 -0.079 0.000 1.069 276 T CA -0.169 61.915 62.100 -0.026 0.000 1.071 276 T CB 1.106 69.856 68.868 -0.197 0.000 0.988 276 T HN 0.089 nan 8.240 nan 0.000 0.543 277 E N 0.991 121.182 120.200 -0.016 0.000 2.058 277 E HA -0.162 4.188 4.350 0.000 0.000 0.194 277 E C 1.792 178.335 176.600 -0.097 0.000 0.997 277 E CA 1.626 58.006 56.400 -0.034 0.000 0.801 277 E CB -0.329 29.383 29.700 0.020 0.000 0.746 277 E HN 0.697 nan 8.360 nan 0.000 0.450 278 D N 0.252 120.585 120.400 -0.110 0.000 2.178 278 D HA -0.119 4.521 4.640 0.000 0.000 0.201 278 D C 2.048 178.079 176.300 -0.449 0.000 0.980 278 D CA 1.373 55.294 54.000 -0.131 0.000 0.842 278 D CB -0.441 40.379 40.800 0.033 0.000 0.948 278 D HN 0.157 nan 8.370 nan 0.000 0.472 279 S N 0.498 115.792 115.700 -0.676 0.000 2.420 279 S HA -0.218 4.252 4.470 0.000 0.000 0.237 279 S C 1.929 176.168 174.600 -0.601 0.000 1.023 279 S CA 1.586 59.145 58.200 -1.069 0.000 0.991 279 S CB -0.657 62.194 63.200 -0.580 0.000 0.792 279 S HN 0.292 nan 8.310 nan 0.000 0.488 280 S N -0.677 114.830 115.700 -0.322 0.000 2.555 280 S HA 0.084 4.554 4.470 0.000 0.000 0.230 280 S C 1.190 175.724 174.600 -0.111 0.000 0.978 280 S CA 0.422 58.518 58.200 -0.173 0.000 0.934 280 S CB -0.865 62.267 63.200 -0.114 0.000 0.766 280 S HN 0.636 nan 8.310 nan 0.000 0.533 281 C N 1.404 120.636 119.300 -0.113 0.000 2.976 281 C HA 0.502 4.962 4.460 0.000 0.000 0.274 281 C C -0.249 174.834 174.990 0.156 0.000 1.487 281 C CA -1.170 57.857 59.018 0.014 0.000 1.789 281 C CB -1.624 26.130 27.740 0.023 0.000 2.771 281 C HN 0.458 nan 8.230 nan 0.000 0.551 282 Y N 1.398 121.695 120.300 -0.005 0.000 2.299 282 Y HA 0.380 4.930 4.550 0.000 0.000 0.335 282 Y C 0.752 176.654 175.900 0.002 0.000 1.287 282 Y CA -0.852 57.248 58.100 -0.001 0.000 1.424 282 Y CB 0.335 38.796 38.460 0.002 0.000 1.326 282 Y HN 0.047 nan 8.280 nan 0.000 0.567 283 I N 4.852 125.513 120.570 0.151 0.000 2.347 283 I HA 0.227 4.397 4.170 0.000 0.000 0.283 283 I C -2.296 173.863 176.117 0.070 0.000 1.058 283 I CA -2.247 59.102 61.300 0.081 0.000 1.202 283 I CB 0.093 38.118 38.000 0.041 0.000 1.386 283 I HN 0.289 nan 8.210 nan 0.000 0.475 284 P HA 0.469 nan 4.420 nan 0.000 0.283 284 P C -2.857 174.504 177.300 0.101 0.000 1.278 284 P CA -2.207 60.938 63.100 0.075 0.000 0.834 284 P CB 0.317 32.048 31.700 0.053 0.000 1.150 285 P HA -0.043 nan 4.420 nan 0.000 0.260 285 P C -0.200 177.120 177.300 0.034 0.000 1.172 285 P CA 0.263 63.383 63.100 0.033 0.000 0.760 285 P CB 0.020 31.720 31.700 -0.000 0.000 0.773 286 L N 5.174 126.404 121.223 0.013 0.000 2.361 286 L HA 0.196 4.536 4.340 0.000 0.000 0.278 286 L C 0.048 176.903 176.870 -0.025 0.000 1.113 286 L CA 0.587 55.446 54.840 0.031 0.000 0.849 286 L CB -0.045 42.059 42.059 0.075 0.000 1.155 286 L HN 0.258 nan 8.230 nan 0.000 0.452 287 T N 4.300 118.852 114.554 -0.003 0.000 2.870 287 T HA 0.401 4.751 4.350 0.000 0.000 0.300 287 T C 0.127 174.795 174.700 -0.053 0.000 0.989 287 T CA 0.202 62.276 62.100 -0.043 0.000 1.139 287 T CB 0.464 69.324 68.868 -0.014 0.000 0.920 287 T HN 0.849 nan 8.240 nan 0.000 0.537 288 T N 2.087 116.577 114.554 -0.108 0.000 2.711 288 T HA 0.552 4.902 4.350 0.000 0.000 0.302 288 T C -1.674 172.901 174.700 -0.209 0.000 1.373 288 T CA -0.783 61.247 62.100 -0.116 0.000 1.000 288 T CB 0.856 69.663 68.868 -0.101 0.000 1.483 288 T HN 0.292 nan 8.240 nan 0.000 0.499 289 I N 2.973 123.352 120.570 -0.318 0.000 2.339 289 I HA 0.412 4.582 4.170 0.000 0.000 0.290 289 I C 0.324 176.143 176.117 -0.497 0.000 0.994 289 I CA -0.721 60.287 61.300 -0.487 0.000 1.191 289 I CB 1.274 38.719 38.000 -0.925 0.000 1.343 289 I HN 0.640 nan 8.210 nan 0.000 0.458 290 K N 6.951 127.112 120.400 -0.399 0.000 2.312 290 K HA 0.222 4.542 4.320 0.000 0.000 0.287 290 K C -0.486 175.778 176.600 -0.560 0.000 1.062 290 K CA -0.249 55.798 56.287 -0.400 0.000 0.934 290 K CB 0.608 32.938 32.500 -0.283 0.000 1.027 290 K HN 0.554 nan 8.250 nan 0.000 0.478 291 Q N 3.608 122.942 119.800 -0.777 0.000 2.425 291 Q HA 0.057 4.397 4.340 0.000 0.000 0.254 291 Q C -1.204 174.043 176.000 -1.255 0.000 1.032 291 Q CA -0.662 54.317 55.803 -1.372 0.000 0.798 291 Q CB 1.412 29.213 28.738 -1.562 0.000 1.210 291 Q HN 0.545 nan 8.270 nan 0.000 0.491 292 D N 2.888 122.880 120.400 -0.681 0.000 2.398 292 D HA 0.007 4.647 4.640 0.000 0.000 0.250 292 D C 0.175 176.486 176.300 0.018 0.000 1.287 292 D CA 0.062 53.912 54.000 -0.250 0.000 0.992 292 D CB -0.012 40.769 40.800 -0.031 0.000 1.071 292 D HN 0.452 nan 8.370 nan 0.000 0.514 293 F N 1.891 121.920 119.950 0.132 0.000 2.269 293 F HA -0.130 4.397 4.527 0.000 0.000 0.301 293 F C 2.506 178.372 175.800 0.110 0.000 1.082 293 F CA 0.358 58.459 58.000 0.170 0.000 1.360 293 F CB 0.047 39.076 39.000 0.049 0.000 1.041 293 F HN 0.233 nan 8.300 nan 0.000 0.512 294 R N 0.184 120.817 120.500 0.223 0.000 2.073 294 R HA -0.170 4.170 4.340 0.000 0.000 0.234 294 R C 2.238 178.603 176.300 0.109 0.000 1.134 294 R CA 1.286 57.464 56.100 0.130 0.000 0.952 294 R CB -1.138 29.210 30.300 0.081 0.000 0.850 294 R HN 0.298 nan 8.270 nan 0.000 0.433 295 L N 1.409 122.700 121.223 0.113 0.000 2.079 295 L HA -0.171 4.169 4.340 0.000 0.000 0.210 295 L C 2.211 179.114 176.870 0.055 0.000 1.081 295 L CA 1.445 56.334 54.840 0.081 0.000 0.752 295 L CB -0.624 41.493 42.059 0.097 0.000 0.896 295 L HN 0.111 nan 8.230 nan 0.000 0.433 296 L N -0.261 121.021 121.223 0.098 0.000 2.017 296 L HA 0.016 4.356 4.340 0.000 0.000 0.208 296 L C 2.336 179.215 176.870 0.015 0.000 1.073 296 L CA 2.184 57.016 54.840 -0.014 0.000 0.745 296 L CB -1.509 40.572 42.059 0.037 0.000 0.894 296 L HN 0.274 nan 8.230 nan 0.000 0.432 297 G N -1.215 107.625 108.800 0.066 0.000 2.418 297 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 297 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 297 G C 1.470 176.379 174.900 0.015 0.000 1.158 297 G CA 0.692 45.813 45.100 0.035 0.000 0.771 297 G HN 0.505 nan 8.290 nan 0.000 0.545 298 Q N 0.450 120.263 119.800 0.022 0.000 2.050 298 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 298 Q C 2.506 178.505 176.000 -0.002 0.000 0.980 298 Q CA 2.168 57.977 55.803 0.010 0.000 0.840 298 Q CB -0.822 27.925 28.738 0.016 0.000 0.898 298 Q HN 0.404 nan 8.270 nan 0.000 0.424 299 T N 0.775 115.324 114.554 -0.008 0.000 2.821 299 T HA -0.069 4.281 4.350 0.000 0.000 0.267 299 T C 2.107 176.792 174.700 -0.024 0.000 1.046 299 T CA 1.363 63.450 62.100 -0.021 0.000 1.139 299 T CB -0.188 68.656 68.868 -0.040 0.000 0.871 299 T HN 0.270 nan 8.240 nan 0.000 0.454 300 S N 0.937 116.622 115.700 -0.025 0.000 2.370 300 S HA -0.093 4.377 4.470 0.000 0.000 0.226 300 S C 2.313 176.901 174.600 -0.021 0.000 1.033 300 S CA 0.891 59.075 58.200 -0.025 0.000 1.011 300 S CB -0.516 62.669 63.200 -0.025 0.000 0.852 300 S HN 0.279 nan 8.310 nan 0.000 0.457 301 V N 2.297 122.201 119.914 -0.017 0.000 2.270 301 V HA -0.170 3.950 4.120 0.000 0.000 0.245 301 V C 2.059 178.146 176.094 -0.013 0.000 1.043 301 V CA 1.880 64.171 62.300 -0.016 0.000 1.014 301 V CB -0.820 30.996 31.823 -0.012 0.000 0.645 301 V HN 0.339 nan 8.190 nan 0.000 0.447 302 D N -0.165 120.229 120.400 -0.011 0.000 2.133 302 D HA -0.215 4.425 4.640 0.000 0.000 0.195 302 D C 2.278 178.573 176.300 -0.008 0.000 0.997 302 D CA 1.614 55.608 54.000 -0.008 0.000 0.840 302 D CB -0.289 40.507 40.800 -0.007 0.000 0.947 302 D HN 0.289 nan 8.370 nan 0.000 0.452 303 R N 0.251 120.745 120.500 -0.010 0.000 2.075 303 R HA -0.046 4.294 4.340 0.000 0.000 0.232 303 R C 2.094 178.391 176.300 -0.006 0.000 1.126 303 R CA 0.741 56.836 56.100 -0.007 0.000 0.963 303 R CB -0.736 29.559 30.300 -0.009 0.000 0.858 303 R HN 0.170 nan 8.270 nan 0.000 0.435 304 L N 0.210 121.426 121.223 -0.012 0.000 2.131 304 L HA -0.024 4.316 4.340 0.000 0.000 0.210 304 L C 1.761 178.625 176.870 -0.010 0.000 1.092 304 L CA 1.566 56.397 54.840 -0.014 0.000 0.759 304 L CB -0.179 41.865 42.059 -0.025 0.000 0.903 304 L HN 0.293 nan 8.230 nan 0.000 0.435 305 L N -1.441 119.777 121.223 -0.009 0.000 2.072 305 L HA -0.172 4.168 4.340 0.000 0.000 0.205 305 L C 2.570 179.437 176.870 -0.004 0.000 1.079 305 L CA 1.084 55.920 54.840 -0.007 0.000 0.752 305 L CB -0.568 41.487 42.059 -0.007 0.000 0.906 305 L HN 0.309 nan 8.230 nan 0.000 0.436 306 Q N 0.152 119.950 119.800 -0.003 0.000 2.061 306 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 306 Q C 2.359 178.360 176.000 0.002 0.000 0.984 306 Q CA 1.519 57.322 55.803 -0.000 0.000 0.846 306 Q CB -0.261 28.477 28.738 0.000 0.000 0.902 306 Q HN 0.472 nan 8.270 nan 0.000 0.421 307 L N -0.078 121.147 121.223 0.003 0.000 2.042 307 L HA -0.219 4.121 4.340 0.000 0.000 0.210 307 L C 2.595 179.468 176.870 0.005 0.000 1.076 307 L CA 1.003 55.847 54.840 0.007 0.000 0.749 307 L CB -0.522 41.544 42.059 0.011 0.000 0.893 307 L HN 0.201 nan 8.230 nan 0.000 0.432 308 S N -0.729 114.972 115.700 0.001 0.000 2.419 308 S HA -0.214 4.257 4.470 0.000 0.000 0.235 308 S C 1.571 176.172 174.600 0.001 0.000 1.019 308 S CA 1.263 59.463 58.200 0.000 0.000 0.982 308 S CB -0.107 63.091 63.200 -0.003 0.000 0.789 308 S HN 0.458 nan 8.310 nan 0.000 0.490 309 Q N -0.186 119.615 119.800 0.002 0.000 2.225 309 Q HA 0.277 4.617 4.340 0.000 0.000 0.222 309 Q C 1.033 177.035 176.000 0.003 0.000 0.887 309 Q CA 0.167 55.971 55.803 0.002 0.000 0.958 309 Q CB 0.086 28.825 28.738 0.001 0.000 1.058 309 Q HN 0.586 nan 8.270 nan 0.000 0.459 310 G N 1.498 110.301 108.800 0.005 0.000 2.309 310 G HA2 -0.371 3.589 3.960 0.000 0.000 0.286 310 G HA3 -0.371 3.589 3.960 0.000 0.000 0.286 310 G C 0.077 174.981 174.900 0.006 0.000 1.002 310 G CA 0.529 45.633 45.100 0.006 0.000 0.786 310 G HN 0.472 nan 8.290 nan 0.000 0.511 311 Q N -0.224 119.579 119.800 0.005 0.000 2.337 311 Q HA 0.530 4.870 4.340 0.000 0.000 0.270 311 Q C 0.909 176.913 176.000 0.006 0.000 1.002 311 Q CA 0.124 55.930 55.803 0.005 0.000 0.888 311 Q CB 0.504 29.244 28.738 0.004 0.000 1.222 311 Q HN 0.704 nan 8.270 nan 0.000 0.400 312 A N 4.207 127.031 122.820 0.006 0.000 2.981 312 A HA 0.270 4.590 4.320 0.000 0.000 0.280 312 A C 0.111 177.699 177.584 0.007 0.000 1.797 312 A CA -0.199 51.842 52.037 0.007 0.000 1.456 312 A CB -0.817 18.186 19.000 0.006 0.000 1.057 312 A HN 0.617 nan 8.150 nan 0.000 0.602 313 V N -1.464 118.455 119.914 0.009 0.000 2.967 313 V HA 0.279 4.399 4.120 0.000 0.000 0.364 313 V C 0.073 176.175 176.094 0.014 0.000 1.373 313 V CA -0.936 61.369 62.300 0.009 0.000 1.193 313 V CB -0.496 31.331 31.823 0.007 0.000 1.236 313 V HN 0.383 nan 8.190 nan 0.000 0.582 314 K N 1.935 122.344 120.400 0.016 0.000 2.230 314 K HA 0.664 4.984 4.320 0.000 0.000 0.253 314 K C 0.878 177.490 176.600 0.020 0.000 1.008 314 K CA 1.285 57.585 56.287 0.022 0.000 0.910 314 K CB 1.012 33.524 32.500 0.020 0.000 0.994 314 K HN 1.001 nan 8.250 nan 0.000 0.495 315 G N 0.967 109.783 108.800 0.026 0.000 2.384 315 G HA2 -0.207 3.753 3.960 0.000 0.000 0.204 315 G HA3 -0.207 3.753 3.960 0.000 0.000 0.204 315 G C -0.999 173.918 174.900 0.027 0.000 1.237 315 G CA -0.478 44.635 45.100 0.021 0.000 1.060 315 G HN 0.674 nan 8.290 nan 0.000 0.514 316 N N 0.503 119.216 118.700 0.021 0.000 2.362 316 N HA 0.518 5.258 4.740 0.000 0.000 0.298 316 N C -0.665 174.855 175.510 0.016 0.000 1.048 316 N CA -0.220 52.845 53.050 0.025 0.000 0.858 316 N CB 1.963 40.467 38.487 0.027 0.000 1.218 316 N HN 0.814 nan 8.380 nan 0.000 0.488 317 Q N 2.952 122.757 119.800 0.008 0.000 2.365 317 Q HA 0.440 4.780 4.340 0.000 0.000 0.269 317 Q C -1.563 174.425 176.000 -0.020 0.000 1.061 317 Q CA -0.796 55.002 55.803 -0.008 0.000 0.816 317 Q CB 1.423 30.149 28.738 -0.020 0.000 1.325 317 Q HN 0.462 nan 8.270 nan 0.000 0.446 318 L N 3.467 124.678 121.223 -0.021 0.000 2.313 318 L HA 0.424 4.764 4.340 0.000 0.000 0.283 318 L C -1.044 175.803 176.870 -0.038 0.000 1.013 318 L CA -0.489 54.338 54.840 -0.021 0.000 0.816 318 L CB 1.492 43.548 42.059 -0.005 0.000 1.236 318 L HN 0.619 nan 8.230 nan 0.000 0.419 319 L N 6.406 127.584 121.223 -0.076 0.000 2.325 319 L HA 0.605 4.945 4.340 0.000 0.000 0.279 319 L C -1.907 175.040 176.870 0.128 0.000 1.054 319 L CA -1.887 52.921 54.840 -0.053 0.000 0.804 319 L CB 0.947 42.801 42.059 -0.341 0.000 1.200 319 L HN 0.431 nan 8.230 nan 0.000 0.436 320 P HA 0.284 nan 4.420 nan 0.000 0.272 320 P C -0.920 176.465 177.300 0.141 0.000 1.240 320 P CA -0.105 63.056 63.100 0.102 0.000 0.791 320 P CB 1.317 33.044 31.700 0.045 0.000 0.978 321 V N -2.496 117.436 119.914 0.030 0.000 3.182 321 V HA 0.918 5.038 4.120 0.000 0.000 0.308 321 V C -0.667 175.359 176.094 -0.113 0.000 1.240 321 V CA -0.908 61.340 62.300 -0.087 0.000 1.063 321 V CB 1.511 33.256 31.823 -0.129 0.000 1.076 321 V HN 0.866 nan 8.190 nan 0.000 0.446 322 S N 0.762 116.357 115.700 -0.176 0.000 2.588 322 S HA 0.753 5.223 4.470 0.000 0.000 0.269 322 S C -1.362 173.125 174.600 -0.189 0.000 1.157 322 S CA -0.702 57.408 58.200 -0.150 0.000 0.824 322 S CB 1.595 64.722 63.200 -0.121 0.000 1.126 322 S HN 1.839 nan 8.310 nan 0.000 0.464 323 L N 1.905 123.028 121.223 -0.167 0.000 2.276 323 L HA 0.722 5.062 4.340 0.000 0.000 0.286 323 L C -1.107 175.648 176.870 -0.192 0.000 1.061 323 L CA -0.247 54.473 54.840 -0.200 0.000 0.807 323 L CB 1.137 43.070 42.059 -0.210 0.000 1.177 323 L HN 0.630 nan 8.230 nan 0.000 0.429 324 V N 5.723 125.517 119.914 -0.200 0.000 2.311 324 V HA 0.354 4.474 4.120 0.000 0.000 0.275 324 V C 0.126 176.119 176.094 -0.168 0.000 1.022 324 V CA -0.811 61.391 62.300 -0.164 0.000 0.830 324 V CB 0.743 32.476 31.823 -0.151 0.000 1.012 324 V HN 0.666 nan 8.190 nan 0.000 0.452 325 K N 4.632 124.938 120.400 -0.155 0.000 2.312 325 K HA 0.508 4.828 4.320 0.000 0.000 0.287 325 K C 0.004 176.568 176.600 -0.061 0.000 1.062 325 K CA -0.230 55.979 56.287 -0.130 0.000 0.934 325 K CB 1.405 33.852 32.500 -0.088 0.000 1.027 325 K HN 0.517 nan 8.250 nan 0.000 0.478 326 R N 1.197 121.676 120.500 -0.035 0.000 3.096 326 R HA 0.296 4.636 4.340 0.000 0.000 0.138 326 R C 0.508 176.820 176.300 0.019 0.000 1.088 326 R CA -0.422 55.669 56.100 -0.015 0.000 0.652 326 R CB 0.368 30.649 30.300 -0.032 0.000 1.179 326 R HN 0.190 nan 8.270 nan 0.000 0.404 327 K N 0.211 120.627 120.400 0.026 0.000 2.355 327 K HA 0.121 4.441 4.320 0.000 0.000 0.198 327 K C 1.092 177.723 176.600 0.051 0.000 1.039 327 K CA 0.709 57.019 56.287 0.040 0.000 1.075 327 K CB 0.878 33.398 32.500 0.034 0.000 0.870 327 K HN 0.682 nan 8.250 nan 0.000 0.540 328 T N -0.439 114.148 114.554 0.055 0.000 3.160 328 T HA -0.030 4.320 4.350 0.000 0.000 0.257 328 T C 0.889 175.624 174.700 0.057 0.000 1.147 328 T CA 0.263 62.397 62.100 0.057 0.000 1.064 328 T CB -0.477 68.428 68.868 0.062 0.000 0.949 328 T HN 0.124 nan 8.240 nan 0.000 0.526 329 T N 0.620 115.226 114.554 0.087 0.000 2.912 329 T HA 0.716 5.066 4.350 0.000 0.000 0.326 329 T C -0.421 174.344 174.700 0.109 0.000 1.080 329 T CA -0.937 61.227 62.100 0.107 0.000 1.000 329 T CB 0.689 69.682 68.868 0.208 0.000 1.008 329 T HN 0.231 nan 8.240 nan 0.000 0.473 330 L N 2.040 123.325 121.223 0.103 0.000 2.298 330 L HA 0.865 5.205 4.340 0.000 0.000 0.268 330 L C 1.275 178.197 176.870 0.087 0.000 1.010 330 L CA -1.688 53.198 54.840 0.078 0.000 0.812 330 L CB 1.061 43.154 42.059 0.056 0.000 1.331 330 L HN 0.780 nan 8.230 nan 0.000 0.450 331 A N 0.000 122.825 122.820 0.008 0.000 2.254 331 A HA 0.000 4.320 4.320 0.000 0.000 0.244 331 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 331 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 331 A HN 0.000 nan 8.150 nan 0.000 0.486