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 1xpi_1_A DATA FIRST_RESID 89 DATA SEQUENCE AALADVILYE DDHILVLNKP SGTAVHGGSG LSFGVIEGLR ALRXXARFLE DATA SEQUENCE LVHRLDRDTS GVLLVAKKRS ALRSLHEQLR EKGMQKDYLA LVRGQWQSHV DATA SEQUENCE KSVQAPLLKN ILQSGERIVR VSQEGKPSET RFKVEERYAF ATLVRCSPVT DATA SEQUENCE GRTHQIRVHT QYAGHPIAFD DRYGDREFDR QLTEAGTGLN RLFLHAAALK DATA SEQUENCE FTHPGTGEVM RIEAPMDEGL KRCLQKLRNA R 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 89 A HA 0.000 nan 4.320 nan 0.000 0.244 89 A C 0.000 177.578 177.584 -0.011 0.000 1.274 89 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 89 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 90 A N 1.760 124.576 122.820 -0.007 0.000 2.305 90 A HA 0.622 4.942 4.320 -0.000 0.000 0.322 90 A C 1.004 178.586 177.584 -0.004 0.000 1.187 90 A CA -0.120 51.914 52.037 -0.005 0.000 0.825 90 A CB 0.484 19.482 19.000 -0.003 0.000 1.164 90 A HN 2.050 nan 8.150 nan 0.000 0.498 91 L N 3.241 124.461 121.223 -0.005 0.000 2.129 91 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 91 L C 2.322 179.191 176.870 -0.002 0.000 1.087 91 L CA 2.980 57.817 54.840 -0.005 0.000 0.757 91 L CB -0.496 41.559 42.059 -0.007 0.000 0.896 91 L HN 0.760 nan 8.230 nan 0.000 0.434 92 A N -1.160 121.658 122.820 -0.002 0.000 2.067 92 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 92 A C 1.842 179.430 177.584 0.006 0.000 1.158 92 A CA 1.578 53.615 52.037 -0.000 0.000 0.661 92 A CB -0.637 18.362 19.000 -0.001 0.000 0.801 92 A HN 0.555 nan 8.150 nan 0.000 0.452 93 D N -0.301 120.104 120.400 0.008 0.000 2.317 93 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 93 D C 1.909 178.221 176.300 0.021 0.000 0.966 93 D CA 0.786 54.795 54.000 0.015 0.000 0.876 93 D CB -0.188 40.619 40.800 0.012 0.000 0.927 93 D HN 0.240 nan 8.370 nan 0.000 0.519 94 V N 1.376 121.299 119.914 0.015 0.000 2.453 94 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 94 V C 1.376 177.485 176.094 0.026 0.000 1.068 94 V CA 0.935 63.246 62.300 0.018 0.000 1.070 94 V CB -0.400 31.428 31.823 0.009 0.000 0.664 94 V HN 0.190 nan 8.190 nan 0.000 0.461 95 I N 0.584 121.167 120.570 0.023 0.000 2.363 95 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 95 I C 0.989 177.137 176.117 0.052 0.000 1.075 95 I CA 0.073 61.391 61.300 0.030 0.000 1.333 95 I CB 0.787 38.793 38.000 0.010 0.000 1.415 95 I HN 0.148 nan 8.210 nan 0.000 0.502 96 L N 6.471 127.745 121.223 0.085 0.000 2.202 96 L HA 0.110 4.450 4.340 -0.000 0.000 0.205 96 L C -0.062 176.927 176.870 0.198 0.000 1.083 96 L CA 0.595 55.510 54.840 0.124 0.000 0.790 96 L CB 0.075 42.211 42.059 0.128 0.000 0.942 96 L HN 0.541 nan 8.230 nan 0.000 0.452 97 Y N -0.208 120.130 120.300 0.064 0.000 2.474 97 Y HA 0.428 4.977 4.550 -0.001 0.000 0.326 97 Y C -1.269 174.682 175.900 0.086 0.000 1.160 97 Y CA -1.170 56.981 58.100 0.084 0.000 1.056 97 Y CB 1.409 39.943 38.460 0.124 0.000 1.330 97 Y HN -0.080 nan 8.280 nan 0.000 0.447 98 E N 4.252 124.058 120.200 -0.657 0.000 2.335 98 E HA 0.439 4.789 4.350 -0.000 0.000 0.280 98 E C -1.969 174.338 176.600 -0.488 0.000 0.918 98 E CA -0.591 55.589 56.400 -0.367 0.000 0.765 98 E CB 1.952 31.558 29.700 -0.157 0.000 1.218 98 E HN 0.741 nan 8.360 nan 0.000 0.425 99 D N 1.437 121.752 120.400 -0.143 0.000 3.009 99 D HA 0.184 4.823 4.640 -0.000 0.000 0.318 99 D C 0.089 176.441 176.300 0.086 0.000 1.273 99 D CA -0.378 53.623 54.000 0.002 0.000 1.001 99 D CB 0.035 40.925 40.800 0.150 0.000 1.411 99 D HN 0.231 nan 8.370 nan 0.000 0.577 100 D N -1.389 119.078 120.400 0.112 0.000 2.350 100 D HA -0.080 4.560 4.640 -0.000 0.000 0.216 100 D C 1.184 177.440 176.300 -0.074 0.000 0.968 100 D CA 0.981 54.980 54.000 -0.002 0.000 0.894 100 D CB 0.040 40.792 40.800 -0.079 0.000 0.909 100 D HN 0.383 nan 8.370 nan 0.000 0.520 101 H N -0.447 118.702 119.070 0.132 0.000 2.439 101 H HA 0.217 4.773 4.556 -0.001 0.000 0.299 101 H C 1.268 176.633 175.328 0.062 0.000 1.033 101 H CA 0.474 56.573 56.048 0.086 0.000 1.348 101 H CB 1.608 31.412 29.762 0.069 0.000 1.449 101 H HN 0.173 nan 8.280 nan 0.000 0.544 102 I N -1.558 119.150 120.570 0.230 0.000 3.095 102 I HA 0.470 4.640 4.170 -0.000 0.000 0.310 102 I C -1.665 174.553 176.117 0.168 0.000 1.196 102 I CA -1.431 59.967 61.300 0.162 0.000 0.985 102 I CB 3.193 41.282 38.000 0.149 0.000 1.250 102 I HN -0.154 nan 8.210 nan 0.000 0.446 103 L N 3.830 125.123 121.223 0.118 0.000 2.436 103 L HA 0.790 5.130 4.340 -0.000 0.000 0.268 103 L C -1.648 175.286 176.870 0.105 0.000 0.974 103 L CA -0.423 54.478 54.840 0.101 0.000 0.826 103 L CB 2.088 44.174 42.059 0.044 0.000 1.291 103 L HN 0.533 nan 8.230 nan 0.000 0.406 104 V N 6.020 126.020 119.914 0.143 0.000 2.525 104 V HA 0.527 4.647 4.120 -0.000 0.000 0.299 104 V C -0.265 175.889 176.094 0.100 0.000 1.034 104 V CA -0.462 61.917 62.300 0.131 0.000 0.863 104 V CB 1.550 33.498 31.823 0.208 0.000 0.999 104 V HN 0.673 nan 8.190 nan 0.000 0.423 105 L N 3.110 124.369 121.223 0.061 0.000 2.322 105 L HA 0.625 4.965 4.340 -0.000 0.000 0.269 105 L C -0.024 176.868 176.870 0.036 0.000 1.012 105 L CA -0.760 54.105 54.840 0.041 0.000 0.815 105 L CB 1.921 43.991 42.059 0.019 0.000 1.295 105 L HN 0.528 nan 8.230 nan 0.000 0.438 106 N N 2.302 121.024 118.700 0.036 0.000 2.558 106 N HA 0.068 4.808 4.740 -0.000 0.000 0.233 106 N C -0.582 174.947 175.510 0.030 0.000 1.038 106 N CA -0.207 52.866 53.050 0.039 0.000 0.934 106 N CB 0.541 39.065 38.487 0.061 0.000 1.175 106 N HN 0.445 nan 8.380 nan 0.000 0.512 107 K N 3.997 124.406 120.400 0.014 0.000 2.416 107 K HA 0.195 4.514 4.320 -0.000 0.000 0.283 107 K C -2.358 174.258 176.600 0.025 0.000 1.037 107 K CA -1.146 55.147 56.287 0.009 0.000 0.995 107 K CB 0.474 32.969 32.500 -0.009 0.000 0.938 107 K HN 0.322 nan 8.250 nan 0.000 0.475 108 P HA 0.005 nan 4.420 nan 0.000 0.274 108 P C -0.869 176.438 177.300 0.011 0.000 1.231 108 P CA -0.413 62.694 63.100 0.012 0.000 0.790 108 P CB 1.207 32.906 31.700 -0.001 0.000 0.951 109 S N 1.232 116.934 115.700 0.004 0.000 2.549 109 S HA 0.428 4.898 4.470 -0.000 0.000 0.279 109 S C 1.357 175.953 174.600 -0.006 0.000 1.321 109 S CA 0.984 59.186 58.200 0.004 0.000 1.054 109 S CB -1.100 62.089 63.200 -0.018 0.000 0.899 109 S HN 0.856 nan 8.310 nan 0.000 0.497 110 G N 3.256 112.057 108.800 0.002 0.000 2.254 110 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.225 110 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.225 110 G C 0.146 175.046 174.900 -0.001 0.000 1.003 110 G CA 0.160 45.259 45.100 -0.002 0.000 0.622 110 G HN 0.922 nan 8.290 nan 0.000 0.507 111 T N 1.991 116.544 114.554 -0.001 0.000 2.749 111 T HA 0.702 5.052 4.350 -0.000 0.000 0.287 111 T C 0.516 175.208 174.700 -0.013 0.000 0.970 111 T CA 0.463 62.561 62.100 -0.003 0.000 0.980 111 T CB 1.679 70.546 68.868 -0.001 0.000 0.924 111 T HN 1.293 nan 8.240 nan 0.000 0.456 112 A N 2.541 125.348 122.820 -0.021 0.000 2.425 112 A HA 0.367 4.687 4.320 -0.000 0.000 0.249 112 A C 1.650 179.195 177.584 -0.066 0.000 1.084 112 A CA -0.519 51.481 52.037 -0.061 0.000 0.781 112 A CB 0.099 19.059 19.000 -0.065 0.000 1.019 112 A HN 0.988 nan 8.150 nan 0.000 0.490 113 V N 0.078 119.917 119.914 -0.125 0.000 3.129 113 V HA 0.217 4.337 4.120 -0.000 0.000 0.259 113 V C 0.587 176.683 176.094 0.003 0.000 1.116 113 V CA 1.766 64.020 62.300 -0.076 0.000 1.127 113 V CB -2.041 29.730 31.823 -0.086 0.000 0.742 113 V HN 1.179 nan 8.190 nan 0.000 0.474 114 H N -2.226 116.850 119.070 0.009 0.000 2.948 114 H HA 0.750 5.306 4.556 -0.000 0.000 0.315 114 H C 0.116 175.461 175.328 0.028 0.000 1.360 114 H CA -0.543 55.518 56.048 0.023 0.000 1.125 114 H CB 0.876 30.642 29.762 0.006 0.000 1.844 114 H HN 0.195 nan 8.280 nan 0.000 0.529 115 G N -0.679 108.298 108.800 0.295 0.000 2.594 115 G HA2 0.438 4.398 3.960 -0.000 0.000 0.243 115 G HA3 0.438 4.398 3.960 -0.000 0.000 0.243 115 G C 0.343 175.354 174.900 0.184 0.000 1.229 115 G CA -0.115 45.071 45.100 0.143 0.000 0.843 115 G HN 0.835 nan 8.290 nan 0.000 0.578 116 G N -0.899 107.923 108.800 0.036 0.000 2.532 116 G HA2 0.391 4.351 3.960 -0.000 0.000 0.291 116 G HA3 0.391 4.351 3.960 -0.000 0.000 0.291 116 G C 1.376 176.277 174.900 0.001 0.000 1.349 116 G CA 0.559 45.676 45.100 0.028 0.000 1.038 116 G HN 0.924 nan 8.290 nan 0.000 0.518 117 S N -1.129 114.570 115.700 -0.002 0.000 2.423 117 S HA 0.060 4.530 4.470 -0.000 0.000 0.231 117 S C 1.518 176.094 174.600 -0.040 0.000 1.014 117 S CA 0.971 59.164 58.200 -0.013 0.000 0.965 117 S CB -0.306 62.891 63.200 -0.004 0.000 0.785 117 S HN 0.886 nan 8.310 nan 0.000 0.495 118 G N 1.154 109.921 108.800 -0.056 0.000 3.271 118 G HA2 0.569 4.529 3.960 -0.000 0.000 0.174 118 G HA3 0.569 4.529 3.960 -0.000 0.000 0.174 118 G C -0.420 174.400 174.900 -0.132 0.000 1.385 118 G CA -0.967 44.089 45.100 -0.075 0.000 0.979 118 G HN 0.328 nan 8.290 nan 0.000 0.610 119 L N 2.305 123.449 121.223 -0.132 0.000 2.423 119 L HA 0.387 4.727 4.340 -0.000 0.000 0.249 119 L C 0.294 177.009 176.870 -0.259 0.000 1.276 119 L CA -0.224 54.499 54.840 -0.196 0.000 1.199 119 L CB -0.546 41.445 42.059 -0.114 0.000 1.407 119 L HN 0.428 nan 8.230 nan 0.000 0.410 120 S N -0.248 115.221 115.700 -0.385 0.000 2.579 120 S HA 0.797 5.267 4.470 -0.000 0.000 0.272 120 S C -0.972 173.321 174.600 -0.512 0.000 1.141 120 S CA -0.734 57.261 58.200 -0.342 0.000 0.843 120 S CB 2.047 65.169 63.200 -0.131 0.000 1.122 120 S HN 0.071 nan 8.310 nan 0.000 0.468 121 F N -0.130 119.830 119.950 0.017 0.000 2.620 121 F HA 0.913 5.440 4.527 -0.000 0.000 0.320 121 F C 0.933 176.743 175.800 0.016 0.000 1.069 121 F CA -0.056 57.956 58.000 0.020 0.000 0.953 121 F CB 2.251 41.257 39.000 0.009 0.000 1.322 121 F HN 1.082 nan 8.300 nan 0.000 0.479 122 G N -0.045 108.897 108.800 0.237 0.000 3.166 122 G HA2 0.458 4.417 3.960 -0.000 0.000 0.267 122 G HA3 0.458 4.417 3.960 -0.000 0.000 0.267 122 G C 0.301 175.256 174.900 0.090 0.000 1.256 122 G CA -0.485 44.686 45.100 0.119 0.000 0.859 122 G HN 0.440 nan 8.290 nan 0.000 0.590 123 V N 0.121 120.062 119.914 0.044 0.000 2.250 123 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 123 V C 2.705 178.811 176.094 0.020 0.000 1.060 123 V CA 2.305 64.617 62.300 0.020 0.000 1.030 123 V CB -0.642 31.180 31.823 -0.001 0.000 0.643 123 V HN 0.529 nan 8.190 nan 0.000 0.445 124 I N 0.099 120.693 120.570 0.040 0.000 2.252 124 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 124 I C 2.303 178.422 176.117 0.003 0.000 1.102 124 I CA 1.653 62.962 61.300 0.015 0.000 1.385 124 I CB -0.243 37.769 38.000 0.019 0.000 1.064 124 I HN 0.327 nan 8.210 nan 0.000 0.414 125 E N 0.263 120.490 120.200 0.044 0.000 2.106 125 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 125 E C 2.255 178.804 176.600 -0.086 0.000 0.984 125 E CA 1.168 57.573 56.400 0.009 0.000 0.806 125 E CB -0.865 28.925 29.700 0.149 0.000 0.750 125 E HN 0.563 nan 8.360 nan 0.000 0.458 126 G N 0.877 109.640 108.800 -0.061 0.000 2.440 126 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 126 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 126 G C 1.522 176.376 174.900 -0.076 0.000 1.154 126 G CA 0.759 45.806 45.100 -0.089 0.000 0.767 126 G HN 0.150 nan 8.290 nan 0.000 0.552 127 L N -0.475 120.716 121.223 -0.052 0.000 2.109 127 L HA 0.045 4.385 4.340 -0.000 0.000 0.207 127 L C 3.165 180.001 176.870 -0.057 0.000 1.086 127 L CA 0.639 55.450 54.840 -0.047 0.000 0.760 127 L CB -0.275 41.762 42.059 -0.038 0.000 0.910 127 L HN 0.143 nan 8.230 nan 0.000 0.437 128 R N 0.087 120.548 120.500 -0.065 0.000 2.115 128 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 128 R C 2.285 178.542 176.300 -0.072 0.000 1.111 128 R CA 1.158 57.217 56.100 -0.067 0.000 0.976 128 R CB -0.395 29.864 30.300 -0.068 0.000 0.870 128 R HN 0.302 nan 8.270 nan 0.000 0.445 129 A N 0.971 123.734 122.820 -0.095 0.000 2.121 129 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 129 A C 1.908 179.445 177.584 -0.079 0.000 1.154 129 A CA 0.874 52.847 52.037 -0.107 0.000 0.679 129 A CB -0.271 18.630 19.000 -0.164 0.000 0.795 129 A HN 0.186 nan 8.150 nan 0.000 0.458 130 L N -1.312 119.873 121.223 -0.065 0.000 2.599 130 L HA 0.145 4.485 4.340 -0.000 0.000 0.230 130 L C 1.600 178.447 176.870 -0.039 0.000 1.141 130 L CA 0.421 55.232 54.840 -0.048 0.000 0.877 130 L CB -0.455 41.578 42.059 -0.042 0.000 1.009 130 L HN 0.551 nan 8.230 nan 0.000 0.447 135 R N -0.171 120.338 120.500 0.016 0.000 2.774 135 R HA 0.588 4.928 4.340 -0.000 0.000 0.269 135 R C -0.127 176.212 176.300 0.066 0.000 1.068 135 R CA 0.482 56.611 56.100 0.047 0.000 1.180 135 R CB -0.457 29.862 30.300 0.032 0.000 1.077 135 R HN 0.981 nan 8.270 nan 0.000 0.513 136 F N 1.016 120.950 119.950 -0.027 0.000 2.467 136 F HA 0.512 5.038 4.527 -0.001 0.000 0.362 136 F C -0.523 175.260 175.800 -0.028 0.000 1.090 136 F CA -0.480 57.503 58.000 -0.027 0.000 1.202 136 F CB 0.820 39.801 39.000 -0.032 0.000 1.113 136 F HN 0.392 nan 8.300 nan 0.000 0.541 137 L N 6.008 126.869 121.223 -0.604 0.000 2.516 137 L HA 0.433 4.772 4.340 -0.000 0.000 0.267 137 L C -1.327 175.197 176.870 -0.576 0.000 0.957 137 L CA -0.354 54.239 54.840 -0.412 0.000 0.860 137 L CB 1.924 43.862 42.059 -0.202 0.000 1.265 137 L HN 0.722 nan 8.230 nan 0.000 0.403 138 E N 3.564 123.512 120.200 -0.420 0.000 2.321 138 E HA 0.495 4.845 4.350 -0.000 0.000 0.278 138 E C -1.476 175.061 176.600 -0.104 0.000 0.902 138 E CA -0.728 55.497 56.400 -0.291 0.000 0.758 138 E CB 1.623 31.114 29.700 -0.349 0.000 1.213 138 E HN 0.577 nan 8.360 nan 0.000 0.426 139 L N 4.128 125.314 121.223 -0.062 0.000 2.455 139 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 139 L C 1.138 178.029 176.870 0.034 0.000 1.174 139 L CA -0.173 54.653 54.840 -0.024 0.000 0.869 139 L CB 0.761 42.809 42.059 -0.018 0.000 1.130 139 L HN 0.585 nan 8.230 nan 0.000 0.474 140 V N 2.203 122.157 119.914 0.068 0.000 2.788 140 V HA -0.065 4.055 4.120 -0.000 0.000 0.251 140 V C 0.419 176.665 176.094 0.254 0.000 1.068 140 V CA 1.172 63.562 62.300 0.150 0.000 1.090 140 V CB -0.939 30.946 31.823 0.102 0.000 0.710 140 V HN 1.052 nan 8.190 nan 0.000 0.467 141 H N -2.184 116.913 119.070 0.045 0.000 2.918 141 H HA 0.744 5.300 4.556 -0.000 0.000 0.303 141 H C -0.629 174.733 175.328 0.056 0.000 1.380 141 H CA -1.255 54.825 56.048 0.052 0.000 1.134 141 H CB 1.109 30.893 29.762 0.036 0.000 1.842 141 H HN -0.072 nan 8.280 nan 0.000 0.533 142 R N 0.452 120.898 120.500 -0.091 0.000 2.803 142 R HA 0.571 4.911 4.340 -0.000 0.000 0.276 142 R C -1.154 175.117 176.300 -0.048 0.000 0.978 142 R CA -1.046 54.981 56.100 -0.122 0.000 0.939 142 R CB 2.245 32.548 30.300 0.005 0.000 1.179 142 R HN 0.453 nan 8.270 nan 0.000 0.472 143 L N 1.419 122.609 121.223 -0.055 0.000 2.342 143 L HA 0.362 4.702 4.340 -0.000 0.000 0.271 143 L C -0.187 176.715 176.870 0.054 0.000 1.008 143 L CA -1.084 53.795 54.840 0.064 0.000 0.818 143 L CB 1.846 43.938 42.059 0.055 0.000 1.296 143 L HN 0.698 nan 8.230 nan 0.000 0.427 144 D N 0.377 120.847 120.400 0.117 0.000 2.398 144 D HA 0.070 4.710 4.640 -0.000 0.000 0.247 144 D C 0.976 177.312 176.300 0.059 0.000 1.227 144 D CA -0.477 53.587 54.000 0.106 0.000 0.980 144 D CB 0.784 41.714 40.800 0.216 0.000 1.106 144 D HN 0.430 nan 8.370 nan 0.000 0.493 145 R N -0.444 120.078 120.500 0.038 0.000 2.083 145 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 145 R C 0.664 176.980 176.300 0.027 0.000 1.137 145 R CA 1.691 57.799 56.100 0.013 0.000 0.951 145 R CB -0.220 30.082 30.300 0.005 0.000 0.851 145 R HN 0.511 nan 8.270 nan 0.000 0.434 146 D N -0.046 120.379 120.400 0.042 0.000 2.347 146 D HA -0.006 4.633 4.640 -0.000 0.000 0.213 146 D C 0.151 176.494 176.300 0.071 0.000 0.985 146 D CA 0.578 54.606 54.000 0.048 0.000 0.879 146 D CB 0.126 40.955 40.800 0.049 0.000 0.919 146 D HN 0.187 nan 8.370 nan 0.000 0.526 147 T N 0.592 115.203 114.554 0.096 0.000 2.899 147 T HA 0.328 4.678 4.350 -0.000 0.000 0.295 147 T C 0.645 175.405 174.700 0.099 0.000 1.033 147 T CA -0.400 61.780 62.100 0.133 0.000 1.084 147 T CB 1.307 70.287 68.868 0.187 0.000 0.979 147 T HN 0.042 nan 8.240 nan 0.000 0.532 148 S N 0.371 116.147 115.700 0.126 0.000 2.677 148 S HA 0.972 5.442 4.470 -0.000 0.000 0.304 148 S C 0.158 174.768 174.600 0.016 0.000 1.108 148 S CA -0.171 58.101 58.200 0.121 0.000 0.944 148 S CB 1.915 65.235 63.200 0.201 0.000 1.127 148 S HN 1.395 nan 8.310 nan 0.000 0.511 149 G N -0.458 108.323 108.800 -0.032 0.000 2.342 149 G HA2 0.064 4.024 3.960 -0.000 0.000 0.220 149 G HA3 0.064 4.024 3.960 -0.000 0.000 0.220 149 G C -0.901 173.904 174.900 -0.158 0.000 1.243 149 G CA -0.520 44.416 45.100 -0.272 0.000 1.083 149 G HN 1.532 nan 8.290 nan 0.000 0.500 150 V N 0.648 120.436 119.914 -0.210 0.000 2.475 150 V HA 0.357 4.477 4.120 -0.000 0.000 0.292 150 V C 0.473 176.580 176.094 0.021 0.000 1.003 150 V CA 0.876 63.128 62.300 -0.081 0.000 1.120 150 V CB 0.654 32.422 31.823 -0.092 0.000 0.937 150 V HN 1.039 nan 8.190 nan 0.000 0.476 151 L N 7.017 128.272 121.223 0.053 0.000 2.404 151 L HA 0.616 4.956 4.340 -0.000 0.000 0.272 151 L C -0.870 176.057 176.870 0.095 0.000 0.980 151 L CA -0.413 54.465 54.840 0.064 0.000 0.836 151 L CB 1.625 43.653 42.059 -0.052 0.000 1.238 151 L HN 0.589 nan 8.230 nan 0.000 0.408 152 L N 6.421 127.782 121.223 0.230 0.000 2.264 152 L HA 0.681 5.021 4.340 -0.000 0.000 0.289 152 L C -1.045 175.842 176.870 0.030 0.000 1.044 152 L CA -0.106 54.778 54.840 0.074 0.000 0.807 152 L CB 1.530 43.565 42.059 -0.039 0.000 1.192 152 L HN 0.414 nan 8.230 nan 0.000 0.425 153 V N 5.254 125.169 119.914 0.003 0.000 2.448 153 V HA 0.724 4.844 4.120 -0.000 0.000 0.295 153 V C 0.358 176.459 176.094 0.013 0.000 1.025 153 V CA -0.703 61.595 62.300 -0.004 0.000 0.859 153 V CB 1.257 33.073 31.823 -0.011 0.000 0.988 153 V HN 0.958 nan 8.190 nan 0.000 0.431 154 A N 4.070 126.905 122.820 0.025 0.000 2.363 154 A HA 0.529 4.849 4.320 -0.000 0.000 0.270 154 A C 0.739 178.423 177.584 0.167 0.000 1.121 154 A CA -0.264 51.830 52.037 0.096 0.000 0.800 154 A CB 0.346 19.428 19.000 0.137 0.000 1.052 154 A HN 0.931 nan 8.150 nan 0.000 0.493 155 K N 0.704 121.210 120.400 0.176 0.000 2.358 155 K HA 0.140 4.460 4.320 -0.000 0.000 0.200 155 K C -0.158 176.587 176.600 0.241 0.000 1.030 155 K CA 0.546 56.948 56.287 0.192 0.000 1.097 155 K CB 0.453 33.002 32.500 0.082 0.000 0.862 155 K HN 0.623 nan 8.250 nan 0.000 0.534 156 K N -0.103 120.385 120.400 0.146 0.000 2.435 156 K HA 0.356 4.676 4.320 -0.000 0.000 0.251 156 K C 0.128 176.456 176.600 -0.452 0.000 0.954 156 K CA -0.684 55.518 56.287 -0.141 0.000 0.820 156 K CB 2.050 34.467 32.500 -0.138 0.000 1.292 156 K HN -0.159 nan 8.250 nan 0.000 0.436 157 R N 0.245 120.201 120.500 -0.906 0.000 2.081 157 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 157 R C 2.163 178.263 176.300 -0.333 0.000 1.131 157 R CA 2.157 57.755 56.100 -0.837 0.000 0.960 157 R CB -0.254 29.642 30.300 -0.672 0.000 0.856 157 R HN 0.733 nan 8.270 nan 0.000 0.436 158 S N 0.715 116.290 115.700 -0.207 0.000 2.382 158 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 158 S C 2.213 176.795 174.600 -0.030 0.000 1.027 158 S CA 1.021 59.176 58.200 -0.074 0.000 0.991 158 S CB -0.187 63.008 63.200 -0.008 0.000 0.823 158 S HN 0.378 nan 8.310 nan 0.000 0.469 159 A N 1.618 124.431 122.820 -0.012 0.000 1.897 159 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 159 A C 2.217 179.778 177.584 -0.039 0.000 1.181 159 A CA 1.306 53.356 52.037 0.022 0.000 0.620 159 A CB -0.852 18.197 19.000 0.082 0.000 0.821 159 A HN 0.486 nan 8.150 nan 0.000 0.443 160 L N -0.054 121.126 121.223 -0.070 0.000 2.046 160 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 160 L C 2.476 179.205 176.870 -0.235 0.000 1.077 160 L CA 2.355 57.080 54.840 -0.192 0.000 0.747 160 L CB -0.582 41.395 42.059 -0.136 0.000 0.896 160 L HN 0.499 nan 8.230 nan 0.000 0.432 161 R N -1.051 119.377 120.500 -0.120 0.000 2.115 161 R HA -0.245 4.095 4.340 -0.000 0.000 0.239 161 R C 2.537 178.848 176.300 0.019 0.000 1.133 161 R CA 2.154 58.239 56.100 -0.025 0.000 0.935 161 R CB -0.757 29.530 30.300 -0.022 0.000 0.853 161 R HN 0.499 nan 8.270 nan 0.000 0.433 162 S N -0.152 115.550 115.700 0.003 0.000 2.359 162 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 162 S C 1.983 176.606 174.600 0.038 0.000 1.035 162 S CA 1.560 59.774 58.200 0.024 0.000 1.018 162 S CB -0.251 62.961 63.200 0.019 0.000 0.876 162 S HN 0.390 nan 8.310 nan 0.000 0.448 163 L N 0.304 121.534 121.223 0.010 0.000 2.056 163 L HA -0.052 4.287 4.340 -0.000 0.000 0.207 163 L C 2.505 179.434 176.870 0.099 0.000 1.078 163 L CA 1.593 56.442 54.840 0.014 0.000 0.749 163 L CB -0.851 41.168 42.059 -0.065 0.000 0.901 163 L HN 0.473 nan 8.230 nan 0.000 0.433 164 H N -0.621 118.458 119.070 0.016 0.000 2.289 164 H HA -0.273 4.283 4.556 -0.000 0.000 0.294 164 H C 2.307 177.644 175.328 0.015 0.000 1.095 164 H CA 1.497 57.557 56.048 0.020 0.000 1.256 164 H CB 0.221 30.000 29.762 0.029 0.000 1.359 164 H HN 0.254 nan 8.280 nan 0.000 0.487 165 E N 1.079 121.375 120.200 0.160 0.000 2.077 165 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 165 E C 2.218 178.854 176.600 0.059 0.000 0.989 165 E CA 1.438 57.887 56.400 0.083 0.000 0.800 165 E CB -0.053 29.687 29.700 0.066 0.000 0.746 165 E HN 0.497 nan 8.360 nan 0.000 0.452 166 Q N -0.145 119.693 119.800 0.063 0.000 2.096 166 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 166 Q C 2.435 178.459 176.000 0.040 0.000 0.982 166 Q CA 1.586 57.420 55.803 0.052 0.000 0.850 166 Q CB -0.253 28.526 28.738 0.067 0.000 0.901 166 Q HN 0.345 nan 8.270 nan 0.000 0.422 167 L N 0.141 121.390 121.223 0.043 0.000 2.017 167 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 167 L C 2.719 179.599 176.870 0.016 0.000 1.073 167 L CA 1.315 56.170 54.840 0.026 0.000 0.745 167 L CB -0.348 41.735 42.059 0.040 0.000 0.894 167 L HN 0.200 nan 8.230 nan 0.000 0.432 168 R N -0.037 120.473 120.500 0.017 0.000 2.091 168 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 168 R C 1.543 177.848 176.300 0.008 0.000 1.136 168 R CA 1.268 57.370 56.100 0.004 0.000 0.959 168 R CB 0.082 30.384 30.300 0.003 0.000 0.856 168 R HN 0.222 nan 8.270 nan 0.000 0.437 169 E N 0.919 121.128 120.200 0.015 0.000 2.445 169 E HA -0.021 4.328 4.350 -0.000 0.000 0.189 169 E C -0.217 176.390 176.600 0.012 0.000 1.069 169 E CA 0.097 56.505 56.400 0.013 0.000 0.871 169 E CB 0.462 30.173 29.700 0.018 0.000 0.991 169 E HN 0.147 nan 8.360 nan 0.000 0.481 170 K N -0.795 119.611 120.400 0.011 0.000 2.948 170 K HA -0.194 4.126 4.320 -0.000 0.000 0.253 170 K C 0.855 177.462 176.600 0.012 0.000 0.970 170 K CA 0.946 57.239 56.287 0.009 0.000 0.716 170 K CB -2.619 29.884 32.500 0.004 0.000 1.249 170 K HN 0.321 nan 8.250 nan 0.000 0.483 171 G N -0.323 108.489 108.800 0.020 0.000 3.383 171 G HA2 0.237 4.197 3.960 -0.000 0.000 0.251 171 G HA3 0.237 4.197 3.960 -0.000 0.000 0.251 171 G C 0.309 175.234 174.900 0.041 0.000 1.203 171 G CA -0.336 44.780 45.100 0.026 0.000 0.852 171 G HN 0.196 nan 8.290 nan 0.000 0.531 172 M N -0.145 119.477 119.600 0.036 0.000 2.578 172 M HA 0.401 4.880 4.480 -0.000 0.000 0.321 172 M C -0.623 175.690 176.300 0.023 0.000 1.182 172 M CA -0.552 54.775 55.300 0.045 0.000 0.965 172 M CB 2.629 35.240 32.600 0.019 0.000 1.694 172 M HN -0.030 nan 8.290 nan 0.000 0.461 173 Q N 2.209 122.025 119.800 0.027 0.000 2.325 173 Q HA 0.372 4.711 4.340 -0.000 0.000 0.270 173 Q C -1.532 174.474 176.000 0.009 0.000 1.020 173 Q CA -0.541 55.269 55.803 0.013 0.000 0.785 173 Q CB 1.776 30.517 28.738 0.006 0.000 1.259 173 Q HN 0.512 nan 8.270 nan 0.000 0.452 174 K N 3.425 123.836 120.400 0.018 0.000 2.394 174 K HA 0.348 4.667 4.320 -0.000 0.000 0.260 174 K C -1.406 175.245 176.600 0.085 0.000 0.967 174 K CA -0.684 55.610 56.287 0.012 0.000 0.855 174 K CB 1.354 33.901 32.500 0.078 0.000 1.101 174 K HN 0.557 nan 8.250 nan 0.000 0.433 175 D N 2.577 122.984 120.400 0.011 0.000 2.256 175 D HA 0.262 4.902 4.640 -0.000 0.000 0.240 175 D C -0.529 175.790 176.300 0.031 0.000 1.062 175 D CA -0.088 53.953 54.000 0.068 0.000 0.832 175 D CB 1.049 41.861 40.800 0.021 0.000 1.135 175 D HN 0.320 nan 8.370 nan 0.000 0.484 176 Y N 0.515 120.804 120.300 -0.018 0.000 2.528 176 Y HA 0.495 5.045 4.550 0.000 0.000 0.335 176 Y C 0.186 176.123 175.900 0.063 0.000 1.093 176 Y CA -1.080 57.032 58.100 0.020 0.000 1.134 176 Y CB 1.893 40.371 38.460 0.029 0.000 1.253 176 Y HN 0.057 nan 8.280 nan 0.000 0.478 177 L N 2.395 123.804 121.223 0.309 0.000 2.322 177 L HA 0.812 5.152 4.340 -0.000 0.000 0.281 177 L C -0.574 176.502 176.870 0.344 0.000 1.014 177 L CA -0.724 54.284 54.840 0.279 0.000 0.815 177 L CB 1.603 43.845 42.059 0.305 0.000 1.247 177 L HN 0.709 nan 8.230 nan 0.000 0.421 178 A N 3.457 126.402 122.820 0.209 0.000 2.386 178 A HA 0.756 5.076 4.320 -0.000 0.000 0.311 178 A C -1.379 176.196 177.584 -0.015 0.000 1.068 178 A CA -0.526 51.633 52.037 0.202 0.000 0.743 178 A CB 1.704 20.805 19.000 0.169 0.000 1.258 178 A HN 0.555 nan 8.150 nan 0.000 0.429 179 L N 3.386 124.512 121.223 -0.161 0.000 2.272 179 L HA 0.672 5.012 4.340 -0.000 0.000 0.289 179 L C -0.224 176.741 176.870 0.158 0.000 1.032 179 L CA -0.243 54.451 54.840 -0.242 0.000 0.810 179 L CB 1.333 42.962 42.059 -0.717 0.000 1.205 179 L HN 0.821 nan 8.230 nan 0.000 0.422 180 V N 2.785 122.814 119.914 0.192 0.000 2.864 180 V HA 0.631 4.751 4.120 -0.000 0.000 0.314 180 V C 0.070 176.192 176.094 0.045 0.000 1.073 180 V CA -1.105 61.335 62.300 0.233 0.000 0.956 180 V CB 1.578 33.531 31.823 0.217 0.000 1.023 180 V HN 0.866 nan 8.190 nan 0.000 0.435 181 R N 1.880 122.163 120.500 -0.361 0.000 2.570 181 R HA 0.480 4.819 4.340 -0.000 0.000 0.277 181 R C 0.883 177.068 176.300 -0.191 0.000 1.039 181 R CA 1.432 56.943 56.100 -0.981 0.000 1.065 181 R CB -0.067 29.728 30.300 -0.841 0.000 0.964 181 R HN 2.000 nan 8.270 nan 0.000 0.428 182 G N 2.495 111.208 108.800 -0.145 0.000 2.562 182 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.250 182 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.250 182 G C -1.089 173.864 174.900 0.089 0.000 1.269 182 G CA -0.411 44.733 45.100 0.074 0.000 0.919 182 G HN 0.565 nan 8.290 nan 0.000 0.574 183 Q N -0.131 119.717 119.800 0.080 0.000 2.425 183 Q HA 0.201 4.541 4.340 -0.000 0.000 0.254 183 Q C -0.048 175.824 176.000 -0.214 0.000 1.032 183 Q CA -0.581 55.209 55.803 -0.021 0.000 0.798 183 Q CB 1.278 30.021 28.738 0.008 0.000 1.210 183 Q HN 0.605 nan 8.270 nan 0.000 0.491 184 W N 4.167 125.154 121.300 -0.522 0.000 2.295 184 W HA -0.003 4.657 4.660 0.000 0.000 0.335 184 W C -0.324 175.977 176.519 -0.363 0.000 1.351 184 W CA 0.378 57.279 57.345 -0.741 0.000 1.273 184 W CB 0.629 29.786 29.460 -0.504 0.000 1.214 184 W HN 0.520 nan 8.180 nan 0.000 0.563 185 Q N 3.811 123.215 119.800 -0.661 0.000 2.304 185 Q HA 0.018 4.358 4.340 -0.000 0.000 0.260 185 Q C 1.276 177.210 176.000 -0.110 0.000 0.965 185 Q CA -0.164 55.471 55.803 -0.280 0.000 0.898 185 Q CB 1.254 29.824 28.738 -0.280 0.000 1.196 185 Q HN 0.434 nan 8.270 nan 0.000 0.402 186 S N 1.614 117.355 115.700 0.068 0.000 2.400 186 S HA -0.166 4.304 4.470 -0.000 0.000 0.232 186 S C 1.529 176.203 174.600 0.124 0.000 1.025 186 S CA 1.401 59.675 58.200 0.124 0.000 0.993 186 S CB -0.201 63.063 63.200 0.108 0.000 0.808 186 S HN 0.707 nan 8.310 nan 0.000 0.478 187 H N -0.179 118.911 119.070 0.033 0.000 2.555 187 H HA 0.177 4.733 4.556 -0.000 0.000 0.269 187 H C 0.296 175.662 175.328 0.064 0.000 0.988 187 H CA 0.324 56.394 56.048 0.038 0.000 1.178 187 H CB -0.600 29.164 29.762 0.003 0.000 1.373 187 H HN 0.147 nan 8.280 nan 0.000 0.588 188 V N 3.629 123.253 119.914 -0.483 0.000 2.276 188 V HA 0.038 4.158 4.120 -0.000 0.000 0.249 188 V C 0.853 177.085 176.094 0.231 0.000 1.160 188 V CA -0.095 62.052 62.300 -0.255 0.000 1.042 188 V CB 0.792 32.313 31.823 -0.503 0.000 1.224 188 V HN 0.247 nan 8.190 nan 0.000 0.496 189 K N 2.056 122.571 120.400 0.191 0.000 2.356 189 K HA 0.173 4.492 4.320 -0.000 0.000 0.195 189 K C 0.804 177.588 176.600 0.307 0.000 1.037 189 K CA 0.426 56.858 56.287 0.242 0.000 1.014 189 K CB 0.688 33.271 32.500 0.139 0.000 0.815 189 K HN 0.740 nan 8.250 nan 0.000 0.507 190 S N -1.098 114.794 115.700 0.320 0.000 2.570 190 S HA 0.550 5.020 4.470 -0.000 0.000 0.270 190 S C -0.884 173.906 174.600 0.316 0.000 1.149 190 S CA -0.896 57.493 58.200 0.315 0.000 0.837 190 S CB 2.152 65.431 63.200 0.131 0.000 1.124 190 S HN -0.202 nan 8.310 nan 0.000 0.465 191 V N 2.109 122.191 119.914 0.280 0.000 2.588 191 V HA 0.548 4.668 4.120 -0.000 0.000 0.304 191 V C -0.451 175.504 176.094 -0.231 0.000 1.042 191 V CA -0.521 61.785 62.300 0.009 0.000 0.877 191 V CB 1.883 33.684 31.823 -0.036 0.000 0.996 191 V HN 0.976 nan 8.190 nan 0.000 0.425 192 Q N 2.088 121.770 119.800 -0.196 0.000 2.135 192 Q HA 0.375 4.715 4.340 -0.000 0.000 0.222 192 Q C 0.491 176.415 176.000 -0.127 0.000 0.808 192 Q CA -0.122 55.617 55.803 -0.106 0.000 1.049 192 Q CB 1.580 30.303 28.738 -0.024 0.000 1.168 192 Q HN 0.804 nan 8.270 nan 0.000 0.483 193 A N 3.086 125.723 122.820 -0.305 0.000 2.451 193 A HA 0.456 4.775 4.320 -0.000 0.000 0.266 193 A C -2.251 175.335 177.584 0.004 0.000 1.119 193 A CA -0.891 50.977 52.037 -0.281 0.000 0.786 193 A CB 0.016 18.501 19.000 -0.859 0.000 1.061 193 A HN -0.066 nan 8.150 nan 0.000 0.503 194 P HA 0.487 nan 4.420 nan 0.000 0.277 194 P C -0.869 176.413 177.300 -0.030 0.000 1.240 194 P CA -0.170 62.924 63.100 -0.009 0.000 0.798 194 P CB 0.728 32.417 31.700 -0.018 0.000 0.979 195 L N 1.995 123.198 121.223 -0.033 0.000 2.386 195 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 195 L C -0.330 176.517 176.870 -0.039 0.000 0.993 195 L CA -0.715 54.092 54.840 -0.055 0.000 0.819 195 L CB 1.618 43.616 42.059 -0.102 0.000 1.294 195 L HN 0.171 nan 8.230 nan 0.000 0.414 196 L N 2.792 123.999 121.223 -0.028 0.000 2.346 196 L HA 0.567 4.906 4.340 -0.000 0.000 0.274 196 L C -0.500 176.367 176.870 -0.006 0.000 1.007 196 L CA -0.652 54.180 54.840 -0.014 0.000 0.818 196 L CB 2.421 44.480 42.059 -0.001 0.000 1.284 196 L HN 0.505 nan 8.230 nan 0.000 0.424 197 K N 2.929 123.324 120.400 -0.008 0.000 2.292 197 K HA 0.391 4.710 4.320 -0.000 0.000 0.257 197 K C -1.057 175.550 176.600 0.011 0.000 0.940 197 K CA -0.662 55.623 56.287 -0.003 0.000 0.811 197 K CB 1.196 33.677 32.500 -0.033 0.000 1.120 197 K HN 0.654 nan 8.250 nan 0.000 0.428 198 N N 4.171 122.889 118.700 0.030 0.000 2.335 198 N HA 0.365 5.104 4.740 -0.000 0.000 0.304 198 N C -0.893 174.633 175.510 0.027 0.000 1.135 198 N CA -0.625 52.440 53.050 0.025 0.000 0.817 198 N CB 1.114 39.618 38.487 0.028 0.000 1.294 198 N HN 0.479 nan 8.380 nan 0.000 0.497 199 I N 1.165 121.746 120.570 0.018 0.000 2.354 199 I HA 0.295 4.465 4.170 -0.000 0.000 0.292 199 I C 0.153 176.281 176.117 0.020 0.000 0.989 199 I CA -0.825 60.486 61.300 0.018 0.000 1.188 199 I CB 1.143 39.149 38.000 0.010 0.000 1.342 199 I HN 0.293 nan 8.210 nan 0.000 0.457 200 L N 4.897 126.134 121.223 0.023 0.000 2.416 200 L HA 0.331 4.670 4.340 -0.000 0.000 0.263 200 L C 1.359 178.237 176.870 0.014 0.000 1.065 200 L CA -0.529 54.322 54.840 0.020 0.000 0.798 200 L CB 0.615 42.688 42.059 0.022 0.000 1.267 200 L HN 0.611 nan 8.230 nan 0.000 0.467 201 Q N 0.252 120.057 119.800 0.010 0.000 2.226 201 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 201 Q C 1.867 177.869 176.000 0.004 0.000 0.975 201 Q CA 1.692 57.498 55.803 0.006 0.000 0.866 201 Q CB 0.145 28.885 28.738 0.004 0.000 0.915 201 Q HN 0.832 nan 8.270 nan 0.000 0.440 202 S N -1.932 113.771 115.700 0.006 0.000 2.515 202 S HA 0.089 4.558 4.470 -0.000 0.000 0.231 202 S C 1.434 176.038 174.600 0.008 0.000 0.987 202 S CA 0.601 58.804 58.200 0.004 0.000 0.936 202 S CB 0.297 63.500 63.200 0.005 0.000 0.766 202 S HN 0.609 nan 8.310 nan 0.000 0.528 203 G N 0.659 109.467 108.800 0.013 0.000 2.217 203 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 203 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 203 G C -0.130 174.788 174.900 0.029 0.000 0.990 203 G CA 0.153 45.265 45.100 0.021 0.000 0.627 203 G HN 0.589 nan 8.290 nan 0.000 0.522 204 E N 0.260 120.479 120.200 0.031 0.000 2.374 204 E HA 0.546 4.896 4.350 -0.000 0.000 0.260 204 E C 0.476 177.112 176.600 0.060 0.000 1.101 204 E CA -0.306 56.124 56.400 0.050 0.000 0.907 204 E CB 0.582 30.310 29.700 0.047 0.000 1.014 204 E HN 0.385 nan 8.360 nan 0.000 0.427 205 R N 1.223 121.782 120.500 0.099 0.000 2.589 205 R HA 0.546 4.885 4.340 -0.000 0.000 0.293 205 R C -0.456 175.967 176.300 0.205 0.000 0.963 205 R CA -0.496 55.653 56.100 0.083 0.000 0.905 205 R CB 1.325 31.586 30.300 -0.065 0.000 1.144 205 R HN 0.392 nan 8.270 nan 0.000 0.459 206 I N 2.674 123.350 120.570 0.176 0.000 2.466 206 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 206 I C -0.773 175.499 176.117 0.258 0.000 1.026 206 I CA -1.040 60.426 61.300 0.277 0.000 1.078 206 I CB 2.132 40.230 38.000 0.163 0.000 1.249 206 I HN 0.254 nan 8.210 nan 0.000 0.429 207 V N 6.773 126.914 119.914 0.377 0.000 2.628 207 V HA 0.625 4.745 4.120 -0.000 0.000 0.306 207 V C -0.258 175.884 176.094 0.080 0.000 1.045 207 V CA -0.669 61.714 62.300 0.138 0.000 0.905 207 V CB 2.212 34.057 31.823 0.037 0.000 0.997 207 V HN 0.845 nan 8.190 nan 0.000 0.436 208 R N 2.144 122.661 120.500 0.028 0.000 2.698 208 R HA 0.764 5.104 4.340 -0.000 0.000 0.275 208 R C -1.758 174.534 176.300 -0.012 0.000 1.001 208 R CA -0.788 55.327 56.100 0.025 0.000 0.896 208 R CB 1.803 32.144 30.300 0.068 0.000 1.218 208 R HN 0.330 nan 8.270 nan 0.000 0.462 209 V N 2.019 121.924 119.914 -0.014 0.000 2.529 209 V HA 0.225 4.345 4.120 -0.000 0.000 0.292 209 V C -0.061 176.026 176.094 -0.013 0.000 1.028 209 V CA 0.541 62.808 62.300 -0.054 0.000 1.074 209 V CB 1.067 32.811 31.823 -0.131 0.000 0.958 209 V HN 0.812 nan 8.190 nan 0.000 0.481 210 S N 3.905 119.590 115.700 -0.024 0.000 2.614 210 S HA 0.315 4.785 4.470 -0.000 0.000 0.275 210 S C 0.393 174.986 174.600 -0.011 0.000 1.161 210 S CA -0.777 57.422 58.200 -0.003 0.000 0.969 210 S CB 1.949 65.152 63.200 0.005 0.000 1.059 210 S HN 0.660 nan 8.310 nan 0.000 0.482 211 Q N 2.352 122.152 119.800 0.000 0.000 2.364 211 Q HA -0.073 4.267 4.340 -0.000 0.000 0.209 211 Q C 0.988 176.988 176.000 -0.000 0.000 0.977 211 Q CA 1.059 56.861 55.803 -0.001 0.000 0.885 211 Q CB -0.188 28.557 28.738 0.011 0.000 0.941 211 Q HN 0.882 nan 8.270 nan 0.000 0.464 212 E N 0.534 120.735 120.200 0.002 0.000 2.335 212 E HA 0.179 4.528 4.350 -0.000 0.000 0.191 212 E C 0.320 176.919 176.600 -0.003 0.000 1.077 212 E CA -0.133 56.268 56.400 0.001 0.000 1.010 212 E CB -0.156 29.547 29.700 0.004 0.000 1.141 212 E HN 0.245 nan 8.360 nan 0.000 0.452 213 G N -0.080 108.715 108.800 -0.007 0.000 2.795 213 G HA2 0.287 4.247 3.960 -0.000 0.000 0.267 213 G HA3 0.287 4.247 3.960 -0.000 0.000 0.267 213 G C -0.811 174.082 174.900 -0.012 0.000 1.362 213 G CA -0.933 44.160 45.100 -0.012 0.000 1.048 213 G HN 0.136 nan 8.290 nan 0.000 0.547 214 K N 1.234 121.624 120.400 -0.017 0.000 2.322 214 K HA 0.242 4.562 4.320 -0.000 0.000 0.283 214 K C -2.516 174.079 176.600 -0.009 0.000 1.042 214 K CA -1.293 54.985 56.287 -0.015 0.000 0.958 214 K CB 1.219 33.706 32.500 -0.022 0.000 0.984 214 K HN 0.109 nan 8.250 nan 0.000 0.473 215 P HA -0.036 nan 4.420 nan 0.000 0.261 215 P C -1.011 176.300 177.300 0.017 0.000 1.183 215 P CA 0.490 63.594 63.100 0.007 0.000 0.761 215 P CB 0.593 32.296 31.700 0.005 0.000 0.785 216 S N 1.912 117.643 115.700 0.051 0.000 2.549 216 S HA 0.550 5.019 4.470 -0.000 0.000 0.280 216 S C -0.975 173.740 174.600 0.190 0.000 1.109 216 S CA -0.727 57.531 58.200 0.095 0.000 0.905 216 S CB 2.101 65.340 63.200 0.064 0.000 1.081 216 S HN 0.485 nan 8.310 nan 0.000 0.477 217 E N 1.183 121.487 120.200 0.173 0.000 2.278 217 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 217 E C -1.620 175.043 176.600 0.105 0.000 0.890 217 E CA -0.460 56.019 56.400 0.131 0.000 0.770 217 E CB 1.380 31.107 29.700 0.046 0.000 1.212 217 E HN 0.558 nan 8.360 nan 0.000 0.415 218 T N 3.452 118.072 114.554 0.110 0.000 2.863 218 T HA 0.532 4.882 4.350 -0.000 0.000 0.285 218 T C -0.611 173.894 174.700 -0.325 0.000 1.009 218 T CA -1.018 60.991 62.100 -0.152 0.000 0.989 218 T CB 1.156 69.904 68.868 -0.200 0.000 1.004 218 T HN 0.251 nan 8.240 nan 0.000 0.455 219 R N 1.199 121.437 120.500 -0.437 0.000 2.598 219 R HA 0.730 5.069 4.340 -0.000 0.000 0.279 219 R C -1.174 174.721 176.300 -0.674 0.000 0.984 219 R CA -1.016 54.881 56.100 -0.337 0.000 0.999 219 R CB 0.551 30.765 30.300 -0.144 0.000 1.114 219 R HN 0.567 nan 8.270 nan 0.000 0.493 220 F N 0.107 120.029 119.950 -0.048 0.000 2.578 220 F HA 0.484 5.011 4.527 -0.000 0.000 0.311 220 F C 0.229 175.940 175.800 -0.148 0.000 1.094 220 F CA -0.776 57.102 58.000 -0.202 0.000 0.923 220 F CB 2.250 41.018 39.000 -0.388 0.000 1.230 220 F HN 0.122 nan 8.300 nan 0.000 0.450 221 K N 2.280 122.659 120.400 -0.035 0.000 2.615 221 K HA 0.512 4.831 4.320 -0.000 0.000 0.249 221 K C -1.721 174.827 176.600 -0.088 0.000 0.977 221 K CA -0.548 55.721 56.287 -0.030 0.000 0.833 221 K CB 1.919 34.409 32.500 -0.016 0.000 1.208 221 K HN 0.506 nan 8.250 nan 0.000 0.443 222 V N 5.043 124.914 119.914 -0.071 0.000 2.493 222 V HA -0.044 4.076 4.120 -0.000 0.000 0.292 222 V C 1.076 177.126 176.094 -0.073 0.000 1.016 222 V CA 0.650 62.898 62.300 -0.086 0.000 1.097 222 V CB 0.939 32.750 31.823 -0.021 0.000 0.947 222 V HN 0.854 nan 8.190 nan 0.000 0.479 223 E N 3.502 123.647 120.200 -0.092 0.000 2.099 223 E HA 0.162 4.512 4.350 -0.000 0.000 0.191 223 E C 0.256 176.789 176.600 -0.111 0.000 0.962 223 E CA 0.549 56.906 56.400 -0.071 0.000 0.826 223 E CB 0.681 30.360 29.700 -0.036 0.000 0.788 223 E HN 0.797 nan 8.360 nan 0.000 0.461 224 E N 0.062 120.140 120.200 -0.203 0.000 2.352 224 E HA 0.361 4.710 4.350 -0.000 0.000 0.280 224 E C -0.890 175.343 176.600 -0.610 0.000 0.930 224 E CA -0.404 55.784 56.400 -0.354 0.000 0.765 224 E CB 2.463 31.947 29.700 -0.361 0.000 1.219 224 E HN -0.116 nan 8.360 nan 0.000 0.434 225 R N 1.829 121.984 120.500 -0.574 0.000 2.589 225 R HA 0.544 4.884 4.340 -0.000 0.000 0.293 225 R C -0.944 174.967 176.300 -0.648 0.000 0.963 225 R CA -0.630 55.152 56.100 -0.531 0.000 0.905 225 R CB 1.050 31.213 30.300 -0.227 0.000 1.144 225 R HN 0.427 nan 8.270 nan 0.000 0.459 226 Y N -0.663 119.593 120.300 -0.073 0.000 2.805 226 Y HA 0.398 4.948 4.550 -0.001 0.000 0.321 226 Y C 1.262 177.111 175.900 -0.084 0.000 1.203 226 Y CA -0.784 57.253 58.100 -0.105 0.000 1.165 226 Y CB 0.413 38.754 38.460 -0.199 0.000 1.371 226 Y HN 0.646 nan 8.280 nan 0.000 0.564 227 A N 0.395 123.272 122.820 0.095 0.000 1.930 227 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 227 A C 0.877 178.595 177.584 0.223 0.000 1.175 227 A CA 2.002 54.127 52.037 0.147 0.000 0.627 227 A CB -0.974 18.173 19.000 0.244 0.000 0.815 227 A HN 0.720 nan 8.150 nan 0.000 0.443 228 F N -4.026 116.031 119.950 0.178 0.000 2.811 228 F HA 0.787 5.314 4.527 0.000 0.000 0.342 228 F C -0.163 175.741 175.800 0.172 0.000 1.203 228 F CA -0.608 57.482 58.000 0.150 0.000 1.173 228 F CB -0.228 38.867 39.000 0.158 0.000 1.094 228 F HN 0.263 nan 8.300 nan 0.000 0.510 229 A N -0.109 122.717 122.820 0.010 0.000 2.610 229 A HA 0.862 5.182 4.320 -0.000 0.000 0.291 229 A C -0.946 176.701 177.584 0.105 0.000 1.086 229 A CA -0.649 51.444 52.037 0.093 0.000 0.677 229 A CB 1.236 20.339 19.000 0.171 0.000 1.278 229 A HN 0.158 nan 8.150 nan 0.000 0.414 230 T N 0.621 115.230 114.554 0.092 0.000 2.909 230 T HA 0.549 4.899 4.350 -0.000 0.000 0.299 230 T C -1.259 173.436 174.700 -0.008 0.000 1.073 230 T CA -0.382 61.695 62.100 -0.038 0.000 0.999 230 T CB 1.463 70.308 68.868 -0.038 0.000 1.098 230 T HN 0.871 nan 8.240 nan 0.000 0.477 231 L N 3.564 124.729 121.223 -0.096 0.000 2.257 231 L HA 0.687 5.027 4.340 -0.000 0.000 0.290 231 L C -1.020 175.786 176.870 -0.108 0.000 1.044 231 L CA -0.220 54.582 54.840 -0.063 0.000 0.810 231 L CB 0.551 42.610 42.059 -0.000 0.000 1.193 231 L HN 0.490 nan 8.230 nan 0.000 0.425 232 V N 5.533 125.378 119.914 -0.114 0.000 2.555 232 V HA 0.510 4.630 4.120 -0.000 0.000 0.302 232 V C 0.051 176.100 176.094 -0.075 0.000 1.038 232 V CA -0.858 61.333 62.300 -0.182 0.000 0.887 232 V CB 1.703 33.276 31.823 -0.416 0.000 0.991 232 V HN 0.732 nan 8.190 nan 0.000 0.434 233 R N 2.840 123.300 120.500 -0.066 0.000 2.298 233 R HA 0.487 4.827 4.340 -0.000 0.000 0.310 233 R C -1.270 174.990 176.300 -0.066 0.000 1.068 233 R CA -0.171 55.917 56.100 -0.018 0.000 0.957 233 R CB 0.425 30.716 30.300 -0.015 0.000 1.003 233 R HN 0.797 nan 8.270 nan 0.000 0.454 234 C N 3.004 122.277 119.300 -0.045 0.000 2.340 234 C HA 0.414 4.874 4.460 -0.000 0.000 0.323 234 C C -0.478 174.417 174.990 -0.158 0.000 1.260 234 C CA -0.682 58.204 59.018 -0.221 0.000 1.464 234 C CB 1.342 29.011 27.740 -0.117 0.000 2.156 234 C HN 0.768 nan 8.230 nan 0.000 0.476 235 S N 4.948 120.480 115.700 -0.280 0.000 2.577 235 S HA 0.394 4.864 4.470 -0.000 0.000 0.294 235 S C -2.530 171.964 174.600 -0.177 0.000 1.161 235 S CA -0.654 57.470 58.200 -0.127 0.000 1.143 235 S CB 0.705 63.849 63.200 -0.094 0.000 0.991 235 S HN 0.652 nan 8.310 nan 0.000 0.475 236 P HA 0.163 nan 4.420 nan 0.000 0.276 236 P C 0.609 177.873 177.300 -0.060 0.000 1.243 236 P CA -0.246 62.774 63.100 -0.133 0.000 0.768 236 P CB 1.175 32.777 31.700 -0.164 0.000 0.856 237 V N 2.702 122.586 119.914 -0.051 0.000 2.331 237 V HA -0.056 4.063 4.120 -0.000 0.000 0.242 237 V C 1.570 177.656 176.094 -0.014 0.000 1.034 237 V CA 2.207 64.492 62.300 -0.024 0.000 1.027 237 V CB -1.103 30.710 31.823 -0.017 0.000 0.667 237 V HN 0.640 nan 8.190 nan 0.000 0.457 238 T N -0.782 113.764 114.554 -0.012 0.000 2.849 238 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 238 T C 0.516 175.200 174.700 -0.026 0.000 1.004 238 T CA 0.116 62.208 62.100 -0.014 0.000 1.021 238 T CB 1.452 70.315 68.868 -0.009 0.000 1.013 238 T HN 0.387 nan 8.240 nan 0.000 0.527 239 G N 0.974 109.762 108.800 -0.020 0.000 4.912 239 G HA2 0.321 4.281 3.960 -0.000 0.000 0.307 239 G HA3 0.321 4.281 3.960 -0.000 0.000 0.307 239 G C 0.298 175.183 174.900 -0.025 0.000 1.381 239 G CA -0.777 44.318 45.100 -0.010 0.000 1.057 239 G HN 0.594 nan 8.290 nan 0.000 0.593 240 R N 0.092 120.554 120.500 -0.064 0.000 2.637 240 R HA 0.288 4.628 4.340 -0.000 0.000 0.269 240 R C -0.035 176.214 176.300 -0.084 0.000 1.089 240 R CA -0.289 55.765 56.100 -0.078 0.000 1.177 240 R CB 0.310 30.549 30.300 -0.102 0.000 1.091 240 R HN 0.132 nan 8.270 nan 0.000 0.540 241 T N 1.943 116.435 114.554 -0.104 0.000 2.902 241 T HA 0.016 4.365 4.350 -0.000 0.000 0.301 241 T C 0.318 174.940 174.700 -0.131 0.000 1.012 241 T CA 0.292 62.295 62.100 -0.161 0.000 1.151 241 T CB -0.196 68.513 68.868 -0.265 0.000 0.946 241 T HN 0.695 nan 8.240 nan 0.000 0.542 242 H N 0.019 119.081 119.070 -0.014 0.000 2.781 242 H HA -0.251 4.305 4.556 -0.000 0.000 0.301 242 H C 1.738 176.973 175.328 -0.156 0.000 1.124 242 H CA 0.629 56.663 56.048 -0.023 0.000 1.154 242 H CB -0.833 28.974 29.762 0.076 0.000 1.355 242 H HN 0.702 nan 8.280 nan 0.000 0.385 243 Q N 0.931 120.670 119.800 -0.101 0.000 2.030 243 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 243 Q C 2.123 177.970 176.000 -0.256 0.000 0.986 243 Q CA 2.197 57.823 55.803 -0.294 0.000 0.843 243 Q CB 0.017 28.577 28.738 -0.296 0.000 0.904 243 Q HN 0.738 nan 8.270 nan 0.000 0.420 244 I N 0.041 120.524 120.570 -0.145 0.000 2.226 244 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 244 I C 2.559 178.728 176.117 0.087 0.000 1.100 244 I CA 1.205 62.495 61.300 -0.017 0.000 1.374 244 I CB -0.241 37.664 38.000 -0.159 0.000 1.057 244 I HN 0.163 nan 8.210 nan 0.000 0.413 245 R N 0.104 120.628 120.500 0.041 0.000 2.091 245 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 245 R C 2.245 178.534 176.300 -0.018 0.000 1.136 245 R CA 1.365 57.516 56.100 0.084 0.000 0.959 245 R CB -0.419 29.963 30.300 0.137 0.000 0.856 245 R HN 0.231 nan 8.270 nan 0.000 0.437 246 V N -0.395 119.399 119.914 -0.199 0.000 2.488 246 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 246 V C 1.826 177.982 176.094 0.104 0.000 1.046 246 V CA 1.533 63.686 62.300 -0.244 0.000 1.053 246 V CB -0.551 31.035 31.823 -0.395 0.000 0.679 246 V HN 0.398 nan 8.190 nan 0.000 0.458 247 H N 0.645 119.767 119.070 0.086 0.000 2.387 247 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 247 H C 2.523 178.038 175.328 0.312 0.000 1.090 247 H CA 1.721 57.912 56.048 0.238 0.000 1.332 247 H CB 0.064 30.031 29.762 0.341 0.000 1.386 247 H HN 0.610 nan 8.280 nan 0.000 0.516 248 T N -1.082 113.717 114.554 0.409 0.000 2.777 248 T HA -0.214 4.136 4.350 -0.000 0.000 0.266 248 T C 1.970 176.837 174.700 0.279 0.000 1.040 248 T CA 1.240 63.563 62.100 0.371 0.000 1.141 248 T CB -0.282 68.781 68.868 0.325 0.000 0.868 248 T HN 0.386 nan 8.240 nan 0.000 0.444 249 Q N -0.105 119.826 119.800 0.220 0.000 2.030 249 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 249 Q C 2.234 178.300 176.000 0.110 0.000 0.986 249 Q CA 1.847 57.742 55.803 0.153 0.000 0.843 249 Q CB -0.520 28.316 28.738 0.163 0.000 0.904 249 Q HN 0.671 nan 8.270 nan 0.000 0.420 250 Y N 0.644 120.969 120.300 0.042 0.000 2.151 250 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 250 Y C 2.089 177.955 175.900 -0.057 0.000 1.166 250 Y CA 1.965 60.071 58.100 0.011 0.000 1.163 250 Y CB -0.638 37.859 38.460 0.061 0.000 0.974 250 Y HN 0.279 nan 8.280 nan 0.000 0.511 251 A N -0.429 122.368 122.820 -0.038 0.000 2.178 251 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 251 A C 2.018 179.359 177.584 -0.405 0.000 1.157 251 A CA 1.414 53.289 52.037 -0.269 0.000 0.689 251 A CB -1.465 17.326 19.000 -0.348 0.000 0.787 251 A HN 1.158 nan 8.150 nan 0.000 0.465 252 G N -2.244 106.336 108.800 -0.367 0.000 2.159 252 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.227 252 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.227 252 G C -0.000 174.423 174.900 -0.794 0.000 0.986 252 G CA 0.245 45.005 45.100 -0.566 0.000 0.651 252 G HN 0.755 nan 8.290 nan 0.000 0.523 253 H N 0.562 119.586 119.070 -0.075 0.000 2.379 253 H HA 0.273 4.829 4.556 -0.000 0.000 0.229 253 H C -2.652 172.740 175.328 0.107 0.000 1.423 253 H CA -1.127 54.928 56.048 0.011 0.000 1.375 253 H CB 1.480 31.330 29.762 0.147 0.000 1.592 253 H HN 0.308 nan 8.280 nan 0.000 0.507 254 P HA 0.062 nan 4.420 nan 0.000 0.272 254 P C 0.837 178.309 177.300 0.287 0.000 1.230 254 P CA -0.182 63.042 63.100 0.207 0.000 0.788 254 P CB 1.521 33.331 31.700 0.184 0.000 0.949 255 I N 0.365 121.125 120.570 0.316 0.000 2.634 255 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 255 I C 1.149 177.538 176.117 0.453 0.000 1.124 255 I CA -0.623 60.897 61.300 0.366 0.000 1.417 255 I CB 0.424 38.608 38.000 0.307 0.000 1.396 255 I HN 0.363 nan 8.210 nan 0.000 0.571 256 A N 5.359 128.497 122.820 0.530 0.000 2.546 256 A HA 0.158 4.478 4.320 -0.000 0.000 0.243 256 A C 0.327 178.170 177.584 0.431 0.000 1.063 256 A CA 0.098 52.370 52.037 0.391 0.000 0.757 256 A CB -0.699 18.477 19.000 0.295 0.000 0.991 256 A HN 0.784 nan 8.150 nan 0.000 0.503 257 F N -0.371 119.620 119.950 0.069 0.000 3.057 257 F HA -0.173 4.354 4.527 -0.000 0.000 0.287 257 F C 0.509 176.353 175.800 0.073 0.000 0.834 257 F CA 1.284 59.315 58.000 0.053 0.000 1.147 257 F CB -1.011 38.009 39.000 0.032 0.000 1.245 257 F HN 0.737 nan 8.300 nan 0.000 0.509 258 D N 1.111 121.622 120.400 0.185 0.000 2.365 258 D HA 0.080 4.720 4.640 -0.000 0.000 0.237 258 D C 1.041 177.361 176.300 0.033 0.000 1.190 258 D CA 0.008 54.088 54.000 0.134 0.000 0.867 258 D CB 0.680 41.598 40.800 0.197 0.000 1.050 258 D HN 0.194 nan 8.370 nan 0.000 0.491 259 D N 3.091 123.480 120.400 -0.017 0.000 2.224 259 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 259 D C 1.625 177.838 176.300 -0.144 0.000 0.965 259 D CA 0.590 54.549 54.000 -0.067 0.000 0.852 259 D CB 0.486 41.259 40.800 -0.046 0.000 0.947 259 D HN 0.458 nan 8.370 nan 0.000 0.494 260 R N -0.753 119.576 120.500 -0.286 0.000 2.128 260 R HA -0.029 4.310 4.340 -0.000 0.000 0.211 260 R C 0.949 176.896 176.300 -0.588 0.000 1.067 260 R CA 0.681 56.444 56.100 -0.562 0.000 1.010 260 R CB 0.303 30.011 30.300 -0.987 0.000 0.922 260 R HN 0.148 nan 8.270 nan 0.000 0.457 261 Y N -1.551 118.765 120.300 0.026 0.000 2.527 261 Y HA 0.430 4.980 4.550 -0.000 0.000 0.247 261 Y C 0.854 176.793 175.900 0.066 0.000 1.138 261 Y CA -0.312 57.819 58.100 0.051 0.000 1.228 261 Y CB 0.606 39.105 38.460 0.064 0.000 1.252 261 Y HN 0.031 nan 8.280 nan 0.000 0.531 262 G N -0.210 108.673 108.800 0.139 0.000 2.510 262 G HA2 0.285 4.244 3.960 -0.000 0.000 0.280 262 G HA3 0.285 4.244 3.960 -0.000 0.000 0.280 262 G C -1.234 173.731 174.900 0.109 0.000 1.386 262 G CA -0.218 44.973 45.100 0.151 0.000 1.047 262 G HN 0.062 nan 8.290 nan 0.000 0.527 263 D N -1.443 119.038 120.400 0.135 0.000 2.505 263 D HA 0.163 4.803 4.640 -0.000 0.000 0.250 263 D C 1.569 177.904 176.300 0.059 0.000 1.164 263 D CA -0.749 53.312 54.000 0.103 0.000 0.870 263 D CB 1.383 42.264 40.800 0.135 0.000 1.160 263 D HN 0.468 nan 8.370 nan 0.000 0.549 264 R N 2.782 123.272 120.500 -0.015 0.000 2.127 264 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 264 R C 1.263 177.526 176.300 -0.062 0.000 1.134 264 R CA 1.241 57.289 56.100 -0.087 0.000 0.975 264 R CB -0.125 30.128 30.300 -0.078 0.000 0.865 264 R HN 0.280 nan 8.270 nan 0.000 0.447 265 E N 0.814 121.016 120.200 0.003 0.000 2.150 265 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 265 E C 1.503 178.153 176.600 0.084 0.000 0.985 265 E CA 0.908 57.319 56.400 0.018 0.000 0.814 265 E CB -0.296 29.413 29.700 0.015 0.000 0.752 265 E HN 0.433 nan 8.360 nan 0.000 0.466 266 F N 1.378 121.312 119.950 -0.027 0.000 2.146 266 F HA -0.066 4.460 4.527 -0.001 0.000 0.298 266 F C 1.412 177.241 175.800 0.048 0.000 1.096 266 F CA 1.714 59.740 58.000 0.043 0.000 1.275 266 F CB -0.539 38.520 39.000 0.098 0.000 1.008 266 F HN -0.006 nan 8.300 nan 0.000 0.480 267 D N 0.150 120.422 120.400 -0.213 0.000 2.117 267 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 267 D C 2.442 178.606 176.300 -0.226 0.000 0.987 267 D CA 1.143 54.845 54.000 -0.496 0.000 0.829 267 D CB -0.519 39.708 40.800 -0.956 0.000 0.961 267 D HN 0.262 nan 8.370 nan 0.000 0.460 268 R N 0.588 121.000 120.500 -0.146 0.000 2.112 268 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 268 R C 2.246 178.529 176.300 -0.029 0.000 1.137 268 R CA 1.652 57.716 56.100 -0.059 0.000 0.944 268 R CB -0.152 30.117 30.300 -0.052 0.000 0.857 268 R HN 0.250 nan 8.270 nan 0.000 0.435 269 Q N 0.033 119.800 119.800 -0.054 0.000 2.112 269 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 269 Q C 2.275 178.293 176.000 0.030 0.000 0.987 269 Q CA 1.787 57.511 55.803 -0.132 0.000 0.858 269 Q CB -0.101 28.442 28.738 -0.325 0.000 0.905 269 Q HN 0.421 nan 8.270 nan 0.000 0.420 270 L N -0.432 120.872 121.223 0.135 0.000 2.093 270 L HA -0.184 4.155 4.340 -0.000 0.000 0.208 270 L C 2.422 179.398 176.870 0.176 0.000 1.085 270 L CA 1.175 56.151 54.840 0.227 0.000 0.755 270 L CB -0.543 41.590 42.059 0.124 0.000 0.904 270 L HN 0.241 nan 8.230 nan 0.000 0.435 271 T N -0.585 114.067 114.554 0.163 0.000 2.674 271 T HA -0.185 4.164 4.350 -0.000 0.000 0.265 271 T C 1.683 176.431 174.700 0.080 0.000 1.039 271 T CA 1.434 63.614 62.100 0.133 0.000 1.150 271 T CB -0.208 68.749 68.868 0.148 0.000 0.864 271 T HN 0.409 nan 8.240 nan 0.000 0.427 272 E N 1.312 121.547 120.200 0.059 0.000 2.209 272 E HA -0.045 4.304 4.350 -0.000 0.000 0.196 272 E C 2.229 178.867 176.600 0.063 0.000 0.993 272 E CA 0.845 57.270 56.400 0.041 0.000 0.819 272 E CB -0.176 29.529 29.700 0.008 0.000 0.745 272 E HN 0.466 nan 8.360 nan 0.000 0.477 273 A N 0.548 123.435 122.820 0.112 0.000 2.206 273 A HA 0.193 4.513 4.320 -0.000 0.000 0.211 273 A C 1.763 179.401 177.584 0.091 0.000 1.158 273 A CA 0.814 52.937 52.037 0.144 0.000 0.761 273 A CB -0.356 18.817 19.000 0.287 0.000 0.801 273 A HN 0.332 nan 8.150 nan 0.000 0.473 274 G N -1.056 107.786 108.800 0.069 0.000 2.137 274 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.237 274 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.237 274 G C 0.957 175.870 174.900 0.021 0.000 1.002 274 G CA 1.296 46.419 45.100 0.039 0.000 0.702 274 G HN 1.222 nan 8.290 nan 0.000 0.515 275 T N -2.763 111.807 114.554 0.026 0.000 2.867 275 T HA 0.308 4.658 4.350 -0.000 0.000 0.268 275 T C 2.708 177.387 174.700 -0.036 0.000 1.057 275 T CA 1.910 64.006 62.100 -0.007 0.000 1.136 275 T CB -0.207 68.661 68.868 -0.001 0.000 0.874 275 T HN 2.247 nan 8.240 nan 0.000 0.466 276 G N 0.795 109.571 108.800 -0.040 0.000 2.159 276 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.256 276 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.256 276 G C -0.079 174.723 174.900 -0.163 0.000 0.977 276 G CA 0.114 45.169 45.100 -0.075 0.000 0.652 276 G HN 0.815 nan 8.290 nan 0.000 0.531 277 L N 0.655 121.748 121.223 -0.217 0.000 2.453 277 L HA 0.653 4.993 4.340 -0.000 0.000 0.272 277 L C 0.696 177.079 176.870 -0.811 0.000 1.182 277 L CA 0.818 55.409 54.840 -0.415 0.000 0.858 277 L CB 0.912 42.763 42.059 -0.346 0.000 1.120 277 L HN 0.160 nan 8.230 nan 0.000 0.474 278 N N 2.457 120.718 118.700 -0.732 0.000 2.381 278 N HA 0.266 5.006 4.740 -0.000 0.000 0.257 278 N C -1.385 173.873 175.510 -0.419 0.000 1.409 278 N CA -0.359 52.306 53.050 -0.643 0.000 0.836 278 N CB 0.352 38.669 38.487 -0.282 0.000 1.384 278 N HN 0.752 nan 8.380 nan 0.000 0.490 279 R N -1.036 119.197 120.500 -0.444 0.000 2.692 279 R HA 0.387 4.727 4.340 -0.000 0.000 0.269 279 R C -1.247 175.055 176.300 0.002 0.000 1.030 279 R CA -1.011 55.011 56.100 -0.129 0.000 0.882 279 R CB 0.485 30.711 30.300 -0.124 0.000 1.250 279 R HN -0.035 nan 8.270 nan 0.000 0.465 280 L N 1.813 123.114 121.223 0.130 0.000 2.706 280 L HA 0.046 4.385 4.340 -0.000 0.000 0.282 280 L C -0.739 176.249 176.870 0.197 0.000 1.219 280 L CA 0.815 55.777 54.840 0.203 0.000 0.935 280 L CB -0.134 42.021 42.059 0.160 0.000 1.204 280 L HN 0.643 nan 8.230 nan 0.000 0.491 281 F N 7.124 127.164 119.950 0.150 0.000 2.567 281 F HA 0.396 4.923 4.527 -0.001 0.000 0.352 281 F C -0.516 175.389 175.800 0.175 0.000 1.229 281 F CA -0.670 57.409 58.000 0.131 0.000 1.228 281 F CB 0.333 39.408 39.000 0.126 0.000 1.568 281 F HN 0.500 nan 8.300 nan 0.000 0.634 282 L N 4.716 126.180 121.223 0.402 0.000 2.505 282 L HA 0.451 4.791 4.340 -0.000 0.000 0.266 282 L C -2.023 175.072 176.870 0.374 0.000 0.954 282 L CA -0.598 54.486 54.840 0.407 0.000 0.852 282 L CB 1.676 43.923 42.059 0.314 0.000 1.282 282 L HN 0.392 nan 8.230 nan 0.000 0.403 283 H N 3.773 123.012 119.070 0.281 0.000 2.934 283 H HA 0.761 5.316 4.556 -0.001 0.000 0.340 283 H C -0.996 174.364 175.328 0.052 0.000 1.008 283 H CA -0.038 56.092 56.048 0.136 0.000 1.317 283 H CB 1.887 31.704 29.762 0.092 0.000 1.670 283 H HN 0.847 nan 8.280 nan 0.000 0.516 284 A N 4.014 126.478 122.820 -0.594 0.000 2.457 284 A HA 0.529 4.849 4.320 -0.000 0.000 0.298 284 A C 1.076 178.204 177.584 -0.761 0.000 1.288 284 A CA 0.298 51.767 52.037 -0.946 0.000 0.956 284 A CB -0.587 17.891 19.000 -0.870 0.000 1.135 284 A HN 0.915 nan 8.150 nan 0.000 0.535 285 A N 2.470 125.028 122.820 -0.437 0.000 1.984 285 A HA 0.576 4.896 4.320 -0.000 0.000 0.214 285 A C 1.152 178.671 177.584 -0.109 0.000 1.173 285 A CA 1.265 53.202 52.037 -0.167 0.000 0.673 285 A CB 0.030 19.073 19.000 0.072 0.000 0.830 285 A HN 1.980 nan 8.150 nan 0.000 0.453 286 A N -0.978 121.760 122.820 -0.136 0.000 2.517 286 A HA 0.603 4.922 4.320 -0.000 0.000 0.297 286 A C -1.566 175.974 177.584 -0.075 0.000 1.050 286 A CA -0.392 51.605 52.037 -0.066 0.000 0.694 286 A CB 1.035 20.020 19.000 -0.025 0.000 1.277 286 A HN 0.917 nan 8.150 nan 0.000 0.400 287 L N 1.222 122.436 121.223 -0.015 0.000 2.381 287 L HA 0.742 5.082 4.340 -0.000 0.000 0.274 287 L C -0.509 176.438 176.870 0.129 0.000 0.988 287 L CA -0.288 54.571 54.840 0.033 0.000 0.824 287 L CB 1.691 43.758 42.059 0.012 0.000 1.263 287 L HN 0.705 nan 8.230 nan 0.000 0.410 288 K N 4.941 125.404 120.400 0.106 0.000 2.221 288 K HA 0.761 5.081 4.320 -0.000 0.000 0.258 288 K C -1.547 175.141 176.600 0.146 0.000 0.944 288 K CA -0.496 55.818 56.287 0.046 0.000 0.823 288 K CB 1.109 33.598 32.500 -0.018 0.000 1.113 288 K HN 0.621 nan 8.250 nan 0.000 0.431 289 F N -1.530 118.382 119.950 -0.063 0.000 2.877 289 F HA 0.384 4.912 4.527 0.000 0.000 0.319 289 F C -1.262 174.510 175.800 -0.046 0.000 1.174 289 F CA -1.126 56.841 58.000 -0.056 0.000 0.903 289 F CB 1.199 40.158 39.000 -0.068 0.000 1.357 289 F HN 0.176 nan 8.300 nan 0.000 0.472 290 T N 0.930 115.527 114.554 0.072 0.000 2.795 290 T HA 0.183 4.532 4.350 -0.000 0.000 0.282 290 T C -0.767 173.995 174.700 0.104 0.000 0.980 290 T CA -0.241 61.848 62.100 -0.020 0.000 1.012 290 T CB 0.179 69.060 68.868 0.021 0.000 0.936 290 T HN 0.677 nan 8.240 nan 0.000 0.457 291 H N 6.183 125.191 119.070 -0.103 0.000 3.046 291 H HA 0.057 4.613 4.556 0.000 0.000 0.303 291 H C -1.611 173.712 175.328 -0.007 0.000 1.002 291 H CA -1.590 54.460 56.048 0.003 0.000 1.460 291 H CB 1.315 31.017 29.762 -0.102 0.000 1.493 291 H HN 0.344 nan 8.280 nan 0.000 0.559 292 P HA -0.026 nan 4.420 nan 0.000 0.229 292 P C 1.169 178.440 177.300 -0.049 0.000 1.160 292 P CA 1.010 64.087 63.100 -0.038 0.000 0.777 292 P CB 0.298 31.972 31.700 -0.042 0.000 0.814 293 G N 0.510 109.245 108.800 -0.108 0.000 2.497 293 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.210 293 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.210 293 G C 1.501 176.367 174.900 -0.056 0.000 1.177 293 G CA 1.185 46.120 45.100 -0.275 0.000 0.822 293 G HN 0.373 nan 8.290 nan 0.000 0.550 294 T N -2.180 112.357 114.554 -0.027 0.000 3.081 294 T HA 0.333 4.682 4.350 -0.000 0.000 0.255 294 T C 1.999 176.671 174.700 -0.047 0.000 1.113 294 T CA 1.078 63.115 62.100 -0.104 0.000 1.082 294 T CB -0.018 68.703 68.868 -0.246 0.000 0.939 294 T HN 1.350 nan 8.240 nan 0.000 0.506 295 G N 1.280 110.087 108.800 0.012 0.000 2.180 295 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.263 295 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.263 295 G C -0.118 174.765 174.900 -0.028 0.000 0.989 295 G CA 0.234 45.335 45.100 0.002 0.000 0.692 295 G HN 0.589 nan 8.290 nan 0.000 0.526 296 E N -0.185 119.982 120.200 -0.054 0.000 2.331 296 E HA 0.434 4.784 4.350 -0.000 0.000 0.272 296 E C 0.796 177.319 176.600 -0.129 0.000 1.036 296 E CA -0.578 55.765 56.400 -0.094 0.000 0.864 296 E CB 1.570 31.192 29.700 -0.130 0.000 1.035 296 E HN 0.126 nan 8.360 nan 0.000 0.408 297 V N 4.508 124.338 119.914 -0.141 0.000 2.572 297 V HA 0.120 4.240 4.120 -0.000 0.000 0.291 297 V C 0.637 176.563 176.094 -0.279 0.000 1.039 297 V CA 0.431 62.612 62.300 -0.198 0.000 1.055 297 V CB 0.182 31.925 31.823 -0.134 0.000 0.969 297 V HN 0.526 nan 8.190 nan 0.000 0.482 298 M N 5.329 124.643 119.600 -0.477 0.000 2.602 298 M HA 0.601 5.081 4.480 -0.000 0.000 0.312 298 M C -0.432 175.589 176.300 -0.465 0.000 1.181 298 M CA -0.653 54.332 55.300 -0.525 0.000 0.910 298 M CB 2.710 34.807 32.600 -0.839 0.000 1.723 298 M HN 0.574 nan 8.290 nan 0.000 0.459 299 R N 2.670 123.004 120.500 -0.276 0.000 2.502 299 R HA 0.682 5.021 4.340 -0.000 0.000 0.300 299 R C -2.109 174.144 176.300 -0.078 0.000 0.984 299 R CA -0.362 55.650 56.100 -0.146 0.000 0.882 299 R CB 1.286 31.530 30.300 -0.093 0.000 1.180 299 R HN 0.776 nan 8.270 nan 0.000 0.444 300 I N 3.561 124.136 120.570 0.007 0.000 2.406 300 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 300 I C -0.393 175.747 176.117 0.039 0.000 0.999 300 I CA -0.726 60.603 61.300 0.048 0.000 1.124 300 I CB 2.184 40.261 38.000 0.129 0.000 1.289 300 I HN 0.554 nan 8.210 nan 0.000 0.441 301 E N 4.548 124.769 120.200 0.036 0.000 2.212 301 E HA 0.721 5.071 4.350 -0.000 0.000 0.268 301 E C -0.934 175.698 176.600 0.053 0.000 0.902 301 E CA -0.912 55.507 56.400 0.031 0.000 0.779 301 E CB 2.459 32.180 29.700 0.034 0.000 1.172 301 E HN 0.657 nan 8.360 nan 0.000 0.409 302 A N 3.710 126.568 122.820 0.064 0.000 2.303 302 A HA 0.548 4.868 4.320 -0.000 0.000 0.320 302 A C -2.398 175.339 177.584 0.256 0.000 1.192 302 A CA -1.704 50.410 52.037 0.129 0.000 0.821 302 A CB 0.355 19.392 19.000 0.062 0.000 1.188 302 A HN 0.329 nan 8.150 nan 0.000 0.492 303 P HA 0.108 nan 4.420 nan 0.000 0.267 303 P C -0.145 177.129 177.300 -0.043 0.000 1.200 303 P CA 0.312 63.451 63.100 0.064 0.000 0.772 303 P CB 0.376 32.089 31.700 0.021 0.000 0.855 304 M N 1.745 121.193 119.600 -0.253 0.000 2.255 304 M HA 0.117 4.596 4.480 -0.000 0.000 0.336 304 M C 0.862 176.985 176.300 -0.295 0.000 1.135 304 M CA -0.252 54.707 55.300 -0.569 0.000 1.145 304 M CB 0.247 32.575 32.600 -0.452 0.000 1.473 304 M HN 0.396 nan 8.290 nan 0.000 0.462 305 D N 0.930 121.152 120.400 -0.295 0.000 2.371 305 D HA 0.029 4.669 4.640 -0.000 0.000 0.242 305 D C 0.574 176.773 176.300 -0.167 0.000 1.218 305 D CA -0.308 53.587 54.000 -0.177 0.000 0.945 305 D CB 0.525 41.237 40.800 -0.147 0.000 1.137 305 D HN 0.425 nan 8.370 nan 0.000 0.464 306 E N 0.384 120.513 120.200 -0.118 0.000 2.160 306 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 306 E C 2.058 178.590 176.600 -0.113 0.000 0.991 306 E CA 1.345 57.687 56.400 -0.097 0.000 0.810 306 E CB -0.729 28.929 29.700 -0.071 0.000 0.742 306 E HN 0.747 nan 8.360 nan 0.000 0.466 307 G N 1.465 110.179 108.800 -0.143 0.000 2.433 307 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 307 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 307 G C 1.757 176.535 174.900 -0.203 0.000 1.186 307 G CA 0.651 45.652 45.100 -0.165 0.000 0.779 307 G HN 0.176 nan 8.290 nan 0.000 0.543 308 L N 0.023 121.059 121.223 -0.312 0.000 2.012 308 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 308 L C 3.011 179.822 176.870 -0.099 0.000 1.073 308 L CA 1.674 56.246 54.840 -0.447 0.000 0.748 308 L CB -0.465 41.148 42.059 -0.743 0.000 0.891 308 L HN 0.220 nan 8.230 nan 0.000 0.431 309 K N -0.299 120.046 120.400 -0.092 0.000 2.063 309 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 309 K C 2.272 178.865 176.600 -0.012 0.000 1.048 309 K CA 1.415 57.691 56.287 -0.020 0.000 0.928 309 K CB -0.184 32.291 32.500 -0.041 0.000 0.713 309 K HN 0.208 nan 8.250 nan 0.000 0.442 310 R N 0.772 121.248 120.500 -0.039 0.000 2.073 310 R HA -0.135 4.204 4.340 -0.000 0.000 0.229 310 R C 2.497 178.778 176.300 -0.031 0.000 1.120 310 R CA 1.483 57.562 56.100 -0.036 0.000 0.967 310 R CB -0.626 29.644 30.300 -0.049 0.000 0.862 310 R HN 0.313 nan 8.270 nan 0.000 0.436 311 C N 0.867 120.155 119.300 -0.020 0.000 2.367 311 C HA -0.147 4.313 4.460 -0.000 0.000 0.276 311 C C 2.570 177.528 174.990 -0.054 0.000 1.195 311 C CA 1.166 60.186 59.018 0.003 0.000 1.756 311 C CB -1.125 26.688 27.740 0.121 0.000 2.046 311 C HN 0.604 nan 8.230 nan 0.000 0.453 312 L N 0.120 121.340 121.223 -0.005 0.000 1.994 312 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 312 L C 2.796 179.577 176.870 -0.148 0.000 1.071 312 L CA 2.048 56.804 54.840 -0.141 0.000 0.745 312 L CB -1.113 40.972 42.059 0.045 0.000 0.892 312 L HN 0.386 nan 8.230 nan 0.000 0.431 313 Q N 0.773 120.545 119.800 -0.047 0.000 2.062 313 Q HA -0.288 4.051 4.340 -0.000 0.000 0.209 313 Q C 2.112 178.081 176.000 -0.052 0.000 0.996 313 Q CA 2.044 57.829 55.803 -0.029 0.000 0.859 313 Q CB -0.185 28.547 28.738 -0.011 0.000 0.920 313 Q HN 0.070 nan 8.270 nan 0.000 0.415 314 K N -0.413 119.948 120.400 -0.064 0.000 2.113 314 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 314 K C 1.772 178.315 176.600 -0.094 0.000 1.047 314 K CA 1.435 57.687 56.287 -0.059 0.000 0.928 314 K CB -0.277 32.196 32.500 -0.045 0.000 0.716 314 K HN 0.342 nan 8.250 nan 0.000 0.446 315 L N -0.542 120.546 121.223 -0.225 0.000 2.270 315 L HA 0.029 4.368 4.340 -0.000 0.000 0.210 315 L C 2.292 179.065 176.870 -0.162 0.000 1.104 315 L CA 0.525 55.168 54.840 -0.328 0.000 0.804 315 L CB -0.264 41.335 42.059 -0.768 0.000 0.937 315 L HN 0.061 nan 8.230 nan 0.000 0.450 316 R N 1.273 121.721 120.500 -0.085 0.000 2.070 316 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 316 R C 1.768 178.115 176.300 0.079 0.000 1.138 316 R CA 1.850 58.030 56.100 0.132 0.000 0.936 316 R CB -0.696 29.684 30.300 0.133 0.000 0.839 316 R HN 0.449 nan 8.270 nan 0.000 0.429 317 N N 0.834 119.556 118.700 0.036 0.000 2.515 317 N HA -0.004 4.735 4.740 -0.000 0.000 0.191 317 N C 1.063 176.594 175.510 0.035 0.000 1.182 317 N CA 0.893 53.964 53.050 0.035 0.000 0.879 317 N CB 0.167 38.669 38.487 0.024 0.000 0.984 317 N HN 0.185 nan 8.380 nan 0.000 0.453 318 A N -0.319 122.521 122.820 0.033 0.000 1.970 318 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 318 A C 1.213 178.840 177.584 0.072 0.000 1.170 318 A CA 0.601 52.668 52.037 0.050 0.000 0.645 318 A CB 0.058 19.089 19.000 0.052 0.000 0.816 318 A HN 0.322 nan 8.150 nan 0.000 0.447 319 R N 0.000 120.547 120.500 0.078 0.000 2.786 319 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 319 R CA 0.000 56.147 56.100 0.078 0.000 0.921 319 R CB 0.000 30.358 30.300 0.096 0.000 0.687 319 R HN 0.000 nan 8.270 nan 0.000 0.535