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 1nrp_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YRNIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETWKGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF G 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.152 176.117 0.059 0.000 1.063 16 I CA 0.000 61.334 61.300 0.057 0.000 1.566 16 I CB 0.000 38.014 38.000 0.023 0.000 1.214 17 V N 6.164 126.120 119.914 0.071 0.000 2.555 17 V HA 0.226 4.346 4.120 -0.000 0.000 0.286 17 V C 0.793 176.932 176.094 0.075 0.000 1.044 17 V CA -0.200 62.142 62.300 0.070 0.000 1.026 17 V CB 0.553 32.421 31.823 0.075 0.000 0.981 17 V HN 0.745 nan 8.190 nan 0.000 0.480 18 E N 2.961 123.198 120.200 0.061 0.000 2.596 18 E HA -0.193 4.157 4.350 -0.000 0.000 0.154 18 E C 0.311 176.950 176.600 0.065 0.000 1.849 18 E CA 1.131 57.567 56.400 0.059 0.000 0.629 18 E CB -0.702 29.039 29.700 0.068 0.000 1.066 18 E HN 1.058 nan 8.360 nan 0.000 0.334 19 G N -0.118 108.709 108.800 0.046 0.000 2.815 19 G HA2 0.725 4.685 3.960 -0.000 0.000 0.305 19 G HA3 0.725 4.685 3.960 -0.000 0.000 0.305 19 G C -0.802 174.111 174.900 0.022 0.000 1.277 19 G CA 0.298 45.422 45.100 0.039 0.000 0.795 19 G HN 0.565 nan 8.290 nan 0.000 0.528 20 S N -0.915 114.790 115.700 0.008 0.000 2.607 20 S HA 0.552 5.022 4.470 -0.000 0.000 0.273 20 S C -1.829 172.761 174.600 -0.016 0.000 1.148 20 S CA -0.594 57.607 58.200 0.003 0.000 0.833 20 S CB 1.854 65.060 63.200 0.010 0.000 1.130 20 S HN 0.435 nan 8.310 nan 0.000 0.470 21 D N 2.513 122.908 120.400 -0.009 0.000 2.425 21 D HA 0.526 5.166 4.640 -0.000 0.000 0.247 21 D C 1.032 177.339 176.300 0.011 0.000 1.147 21 D CA 0.347 54.339 54.000 -0.013 0.000 0.879 21 D CB 0.791 41.596 40.800 0.009 0.000 1.179 21 D HN 0.820 nan 8.370 nan 0.000 0.456 22 A N 3.299 126.123 122.820 0.007 0.000 2.250 22 A HA 0.251 4.571 4.320 -0.000 0.000 0.284 22 A C 0.263 177.927 177.584 0.133 0.000 1.269 22 A CA 0.108 52.167 52.037 0.037 0.000 0.834 22 A CB 0.174 19.200 19.000 0.043 0.000 1.146 22 A HN 0.661 nan 8.150 nan 0.000 0.509 23 E N -0.934 119.297 120.200 0.051 0.000 2.352 23 E HA 0.293 4.643 4.350 -0.000 0.000 0.280 23 E C -1.216 175.278 176.600 -0.178 0.000 0.930 23 E CA -1.036 55.319 56.400 -0.075 0.000 0.765 23 E CB 1.164 30.824 29.700 -0.066 0.000 1.219 23 E HN 0.398 nan 8.360 nan 0.000 0.434 24 I N 2.301 122.699 120.570 -0.285 0.000 3.446 24 I HA -0.009 4.161 4.170 -0.000 0.000 0.294 24 I C 1.180 177.245 176.117 -0.088 0.000 1.185 24 I CA 1.274 62.465 61.300 -0.180 0.000 1.617 24 I CB -2.181 35.779 38.000 -0.067 0.000 1.576 24 I HN 1.008 nan 8.210 nan 0.000 0.741 25 G N 5.281 114.009 108.800 -0.119 0.000 2.229 25 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.189 25 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.189 25 G C 0.651 175.365 174.900 -0.310 0.000 1.000 25 G CA 0.159 45.124 45.100 -0.224 0.000 0.663 25 G HN 0.564 nan 8.290 nan 0.000 0.493 26 M N 0.559 119.969 119.600 -0.318 0.000 2.682 26 M HA 0.570 5.050 4.480 -0.000 0.000 0.235 26 M C 0.872 176.759 176.300 -0.688 0.000 1.114 26 M CA 1.700 56.763 55.300 -0.396 0.000 1.053 26 M CB 0.211 32.654 32.600 -0.262 0.000 1.599 26 M HN 0.475 nan 8.290 nan 0.000 0.520 27 S N -0.248 114.886 115.700 -0.943 0.000 2.619 27 S HA 0.242 4.711 4.470 -0.000 0.000 0.179 27 S C -2.486 171.242 174.600 -1.455 0.000 0.810 27 S CA -0.716 56.514 58.200 -1.616 0.000 0.898 27 S CB 0.050 62.694 63.200 -0.926 0.000 1.650 27 S HN 0.269 nan 8.310 nan 0.000 0.554 28 P HA 0.062 nan 4.420 nan 0.000 0.249 28 P C 0.329 177.498 177.300 -0.218 0.000 1.227 28 P CA 0.531 63.355 63.100 -0.460 0.000 0.753 28 P CB -0.950 30.619 31.700 -0.219 0.000 0.966 29 W N -2.049 119.236 121.300 -0.024 0.000 2.684 29 W HA 0.466 5.126 4.660 -0.000 0.000 0.381 29 W C 0.084 176.620 176.519 0.028 0.000 0.975 29 W CA -0.711 56.631 57.345 -0.006 0.000 1.789 29 W CB -0.947 28.494 29.460 -0.032 0.000 1.161 29 W HN -0.170 nan 8.180 nan 0.000 0.564 30 Q N 2.004 121.744 119.800 -0.100 0.000 2.257 30 Q HA 0.525 4.865 4.340 -0.000 0.000 0.255 30 Q C -1.141 174.981 176.000 0.204 0.000 0.920 30 Q CA -0.483 55.349 55.803 0.049 0.000 0.927 30 Q CB 2.142 30.795 28.738 -0.142 0.000 1.229 30 Q HN 0.091 nan 8.270 nan 0.000 0.433 31 V N 5.014 125.107 119.914 0.297 0.000 2.769 31 V HA 0.469 4.589 4.120 -0.000 0.000 0.312 31 V C -0.711 175.608 176.094 0.375 0.000 1.061 31 V CA -0.835 61.645 62.300 0.300 0.000 0.931 31 V CB 2.123 34.079 31.823 0.221 0.000 1.010 31 V HN 0.930 nan 8.190 nan 0.000 0.433 32 M N 5.519 125.234 119.600 0.191 0.000 2.157 32 M HA 0.451 4.931 4.480 -0.000 0.000 0.354 32 M C -0.724 175.638 176.300 0.103 0.000 1.170 32 M CA -0.461 54.855 55.300 0.026 0.000 1.060 32 M CB 0.966 33.331 32.600 -0.392 0.000 1.615 32 M HN 0.506 nan 8.290 nan 0.000 0.460 33 L N 6.145 127.460 121.223 0.154 0.000 2.399 33 L HA 0.226 4.566 4.340 -0.000 0.000 0.257 33 L C -1.144 175.830 176.870 0.173 0.000 1.236 33 L CA -0.085 54.847 54.840 0.155 0.000 1.144 33 L CB -0.377 41.774 42.059 0.153 0.000 1.379 33 L HN 0.627 nan 8.230 nan 0.000 0.414 34 F N 4.439 124.375 119.950 -0.023 0.000 2.371 34 F HA 0.297 4.824 4.527 -0.000 0.000 0.363 34 F C 1.174 176.959 175.800 -0.024 0.000 1.122 34 F CA -0.685 57.289 58.000 -0.043 0.000 1.129 34 F CB 0.361 39.315 39.000 -0.077 0.000 1.173 34 F HN 0.423 nan 8.300 nan 0.000 0.489 35 R N 2.655 123.031 120.500 -0.207 0.000 2.847 35 R HA 0.305 4.645 4.340 -0.000 0.000 0.157 35 R C -0.340 175.752 176.300 -0.347 0.000 0.803 35 R CA -0.049 55.929 56.100 -0.203 0.000 1.442 35 R CB -0.677 29.517 30.300 -0.176 0.000 0.748 35 R HN 0.551 nan 8.270 nan 0.000 0.554 36 S N 1.351 116.953 115.700 -0.163 0.000 2.481 36 S HA 0.210 4.680 4.470 -0.000 0.000 0.276 36 S C -2.018 172.510 174.600 -0.120 0.000 1.247 36 S CA -1.326 56.791 58.200 -0.139 0.000 1.053 36 S CB 0.422 63.570 63.200 -0.086 0.000 0.925 36 S HN 0.499 nan 8.310 nan 0.000 0.491 37 P HA -0.066 nan 4.420 nan 0.000 0.247 37 P C -0.029 177.136 177.300 -0.226 0.000 1.147 37 P CA 0.159 63.177 63.100 -0.136 0.000 0.964 37 P CB -0.065 31.568 31.700 -0.112 0.000 0.944 38 Q N 3.617 123.283 119.800 -0.224 0.000 2.586 38 Q HA -0.110 4.230 4.340 -0.000 0.000 0.312 38 Q C -0.068 175.580 176.000 -0.587 0.000 1.165 38 Q CA 1.020 56.595 55.803 -0.381 0.000 1.065 38 Q CB 0.026 28.670 28.738 -0.157 0.000 1.054 38 Q HN 0.702 nan 8.270 nan 0.000 0.408 39 E N 2.759 122.334 120.200 -1.042 0.000 2.402 39 E HA 0.462 4.812 4.350 -0.000 0.000 0.270 39 E C -1.627 174.519 176.600 -0.756 0.000 1.131 39 E CA -1.004 54.917 56.400 -0.798 0.000 0.884 39 E CB 0.612 30.138 29.700 -0.289 0.000 1.564 39 E HN 0.406 nan 8.360 nan 0.000 0.456 40 L N 2.421 123.603 121.223 -0.068 0.000 2.294 40 L HA 0.411 4.751 4.340 -0.000 0.000 0.283 40 L C 0.055 176.960 176.870 0.059 0.000 1.015 40 L CA -0.671 54.258 54.840 0.150 0.000 0.831 40 L CB 0.714 42.909 42.059 0.227 0.000 1.217 40 L HN 0.773 nan 8.230 nan 0.000 0.420 41 L N 2.925 124.181 121.223 0.055 0.000 2.298 41 L HA 0.373 4.713 4.340 -0.000 0.000 0.209 41 L C 0.344 177.272 176.870 0.097 0.000 1.084 41 L CA -0.178 54.691 54.840 0.048 0.000 0.816 41 L CB -0.203 41.868 42.059 0.021 0.000 0.967 41 L HN 0.619 nan 8.230 nan 0.000 0.460 42 c N -1.072 117.612 118.600 0.141 0.000 3.230 42 c HA 0.857 5.427 4.570 -0.000 0.000 0.376 42 c C 0.155 174.393 174.090 0.247 0.000 1.956 42 c CA -0.423 56.025 56.329 0.197 0.000 1.141 42 c CB 0.715 43.350 42.510 0.209 0.000 2.302 42 c HN 0.355 nan 8.230 nan 0.000 0.422 43 G N -0.765 108.206 108.800 0.285 0.000 2.660 43 G HA2 0.964 4.924 3.960 -0.000 0.000 0.294 43 G HA3 0.964 4.924 3.960 -0.000 0.000 0.294 43 G C -1.022 174.037 174.900 0.264 0.000 1.369 43 G CA 0.218 45.523 45.100 0.342 0.000 0.912 43 G HN 1.701 nan 8.290 nan 0.000 0.479 44 A N -0.200 122.777 122.820 0.262 0.000 2.583 44 A HA 0.980 5.300 4.320 -0.000 0.000 0.299 44 A C -0.340 177.395 177.584 0.251 0.000 1.258 44 A CA 0.042 52.219 52.037 0.233 0.000 0.682 44 A CB 1.207 20.335 19.000 0.213 0.000 1.332 44 A HN 1.986 nan 8.150 nan 0.000 0.485 45 S N -0.876 114.970 115.700 0.243 0.000 2.546 45 S HA 0.596 5.066 4.470 -0.000 0.000 0.274 45 S C -1.318 173.422 174.600 0.232 0.000 1.121 45 S CA -0.540 57.824 58.200 0.274 0.000 0.887 45 S CB 1.403 64.759 63.200 0.260 0.000 1.094 45 S HN 1.099 nan 8.310 nan 0.000 0.474 46 L N 2.840 124.214 121.223 0.252 0.000 2.433 46 L HA 0.425 4.765 4.340 -0.000 0.000 0.284 46 L C 0.142 177.076 176.870 0.106 0.000 1.120 46 L CA -0.438 54.517 54.840 0.191 0.000 0.879 46 L CB -0.150 42.014 42.059 0.175 0.000 1.232 46 L HN 0.799 nan 8.230 nan 0.000 0.454 47 I N 1.019 121.666 120.570 0.128 0.000 3.856 47 I HA 0.550 4.720 4.170 -0.000 0.000 0.330 47 I C 0.184 176.356 176.117 0.091 0.000 1.546 47 I CA 0.259 61.597 61.300 0.065 0.000 1.132 47 I CB 0.141 38.183 38.000 0.071 0.000 1.157 47 I HN 0.421 nan 8.210 nan 0.000 0.440 48 S N -0.466 115.332 115.700 0.163 0.000 2.660 48 S HA 0.143 4.613 4.470 -0.000 0.000 0.264 48 S C -0.147 174.703 174.600 0.417 0.000 1.131 48 S CA -0.260 58.086 58.200 0.243 0.000 0.846 48 S CB 0.777 64.135 63.200 0.262 0.000 1.151 48 S HN 0.268 nan 8.310 nan 0.000 0.486 49 D N 0.883 121.545 120.400 0.437 0.000 2.178 49 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 49 D C 0.996 177.456 176.300 0.267 0.000 0.980 49 D CA 1.198 55.398 54.000 0.333 0.000 0.842 49 D CB 0.163 41.037 40.800 0.123 0.000 0.948 49 D HN 0.493 nan 8.370 nan 0.000 0.472 50 R N -1.749 118.940 120.500 0.314 0.000 2.522 50 R HA 0.294 4.634 4.340 -0.000 0.000 0.373 50 R C -1.312 175.160 176.300 0.286 0.000 1.062 50 R CA -0.620 55.627 56.100 0.244 0.000 1.167 50 R CB -0.790 29.614 30.300 0.172 0.000 1.378 50 R HN -0.089 nan 8.270 nan 0.000 0.662 51 W N 0.607 121.992 121.300 0.142 0.000 3.129 51 W HA 0.560 5.220 4.660 -0.000 0.000 0.333 51 W C -0.986 175.617 176.519 0.140 0.000 1.141 51 W CA -0.651 56.776 57.345 0.137 0.000 1.224 51 W CB 2.336 31.863 29.460 0.111 0.000 1.393 51 W HN -0.142 nan 8.180 nan 0.000 0.499 52 V N 4.886 125.008 119.914 0.347 0.000 2.760 52 V HA 0.595 4.715 4.120 -0.000 0.000 0.309 52 V C -0.746 175.525 176.094 0.294 0.000 1.077 52 V CA -0.993 61.470 62.300 0.272 0.000 0.910 52 V CB 1.824 33.765 31.823 0.197 0.000 1.008 52 V HN 0.425 nan 8.190 nan 0.000 0.424 53 L N 3.573 124.960 121.223 0.272 0.000 2.341 53 L HA 1.088 5.428 4.340 -0.000 0.000 0.267 53 L C -0.360 176.646 176.870 0.227 0.000 1.009 53 L CA 0.293 55.301 54.840 0.281 0.000 0.819 53 L CB 2.437 44.673 42.059 0.295 0.000 1.323 53 L HN 0.756 nan 8.230 nan 0.000 0.425 54 T N 0.943 115.622 114.554 0.208 0.000 2.653 54 T HA 0.735 5.085 4.350 -0.000 0.000 0.306 54 T C -0.844 173.906 174.700 0.083 0.000 1.426 54 T CA -0.115 62.078 62.100 0.155 0.000 1.008 54 T CB 0.511 69.481 68.868 0.171 0.000 1.692 54 T HN 1.259 nan 8.240 nan 0.000 0.483 55 A N 0.291 123.124 122.820 0.023 0.000 2.406 55 A HA 0.690 5.010 4.320 -0.000 0.000 0.243 55 A C 1.515 179.036 177.584 -0.105 0.000 1.082 55 A CA 0.466 52.402 52.037 -0.169 0.000 0.786 55 A CB -0.263 18.464 19.000 -0.455 0.000 1.029 55 A HN 1.420 nan 8.150 nan 0.000 0.495 56 A N -0.030 122.627 122.820 -0.273 0.000 1.943 56 A HA 0.033 4.353 4.320 -0.000 0.000 0.213 56 A C 1.724 179.446 177.584 0.230 0.000 1.181 56 A CA 1.256 53.197 52.037 -0.160 0.000 0.653 56 A CB -1.183 17.336 19.000 -0.802 0.000 0.833 56 A HN 1.134 nan 8.150 nan 0.000 0.451 57 H N -2.283 116.878 119.070 0.151 0.000 2.426 57 H HA -0.197 4.359 4.556 -0.000 0.000 0.298 57 H C 1.842 177.262 175.328 0.154 0.000 1.107 57 H CA 1.310 57.519 56.048 0.269 0.000 1.298 57 H CB -0.549 29.342 29.762 0.216 0.000 1.377 57 H HN 0.361 nan 8.280 nan 0.000 0.519 58 c N 0.809 119.825 118.600 0.694 0.000 2.472 58 c HA 0.163 4.733 4.570 -0.000 0.000 0.278 58 c C 0.633 174.844 174.090 0.202 0.000 1.447 58 c CA -0.148 56.415 56.329 0.389 0.000 1.773 58 c CB -1.307 41.431 42.510 0.381 0.000 1.793 58 c HN 0.350 nan 8.230 nan 0.000 0.544 59 L N -1.478 119.867 121.223 0.203 0.000 2.283 59 L HA 0.508 4.848 4.340 -0.000 0.000 0.259 59 L C 0.246 177.184 176.870 0.114 0.000 1.027 59 L CA 0.130 55.052 54.840 0.137 0.000 0.828 59 L CB 1.483 43.624 42.059 0.138 0.000 1.380 59 L HN -0.175 nan 8.230 nan 0.000 0.425 60 T N -1.360 113.174 114.554 -0.032 0.000 2.945 60 T HA 0.287 4.637 4.350 -0.000 0.000 0.286 60 T C 0.919 175.591 174.700 -0.047 0.000 1.025 60 T CA -0.461 61.612 62.100 -0.044 0.000 1.039 60 T CB 0.855 69.694 68.868 -0.047 0.000 1.068 60 T HN 0.635 nan 8.240 nan 0.000 0.497 61 E N 3.109 123.269 120.200 -0.066 0.000 2.132 61 E HA -0.311 4.039 4.350 -0.000 0.000 0.218 61 E C 1.633 178.207 176.600 -0.042 0.000 1.058 61 E CA 2.151 58.511 56.400 -0.065 0.000 0.882 61 E CB -0.994 28.653 29.700 -0.087 0.000 0.774 61 E HN 0.765 nan 8.360 nan 0.000 0.467 62 N N 1.505 120.180 118.700 -0.042 0.000 2.069 62 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 62 N C 1.573 177.065 175.510 -0.030 0.000 1.031 62 N CA 1.633 54.664 53.050 -0.033 0.000 0.852 62 N CB -0.443 38.024 38.487 -0.034 0.000 1.018 62 N HN 0.230 nan 8.380 nan 0.000 0.423 63 D N 0.987 121.366 120.400 -0.034 0.000 2.177 63 D HA -0.121 4.519 4.640 -0.000 0.000 0.189 63 D C 0.422 176.702 176.300 -0.034 0.000 1.002 63 D CA 1.371 55.348 54.000 -0.037 0.000 0.845 63 D CB -0.121 40.656 40.800 -0.038 0.000 0.960 63 D HN 0.158 nan 8.370 nan 0.000 0.447 64 L N -0.980 120.231 121.223 -0.020 0.000 2.400 64 L HA 0.653 4.993 4.340 -0.000 0.000 0.264 64 L C -0.601 176.280 176.870 0.018 0.000 1.061 64 L CA -0.999 53.840 54.840 -0.001 0.000 0.799 64 L CB 0.573 42.641 42.059 0.015 0.000 1.240 64 L HN -0.059 nan 8.230 nan 0.000 0.461 65 L N 0.009 121.264 121.223 0.053 0.000 2.455 65 L HA 0.803 5.143 4.340 -0.000 0.000 0.264 65 L C -1.427 175.512 176.870 0.116 0.000 0.968 65 L CA -0.381 54.508 54.840 0.081 0.000 0.827 65 L CB 2.270 44.383 42.059 0.091 0.000 1.317 65 L HN 0.389 nan 8.230 nan 0.000 0.407 66 V N 4.581 124.549 119.914 0.090 0.000 2.513 66 V HA 0.689 4.809 4.120 -0.000 0.000 0.299 66 V C -0.516 175.614 176.094 0.060 0.000 1.035 66 V CA -0.497 61.855 62.300 0.087 0.000 0.889 66 V CB 1.972 33.844 31.823 0.082 0.000 0.988 66 V HN 0.825 nan 8.190 nan 0.000 0.440 67 R N 4.657 125.176 120.500 0.033 0.000 2.686 67 R HA 0.823 5.163 4.340 -0.000 0.000 0.283 67 R C -1.507 174.803 176.300 0.017 0.000 0.978 67 R CA -0.626 55.462 56.100 -0.020 0.000 0.897 67 R CB 2.406 32.623 30.300 -0.139 0.000 1.192 67 R HN 0.538 nan 8.270 nan 0.000 0.457 68 I N -0.095 120.493 120.570 0.029 0.000 2.934 68 I HA 0.528 4.698 4.170 -0.000 0.000 0.306 68 I C 0.757 176.898 176.117 0.040 0.000 1.110 68 I CA -0.341 61.003 61.300 0.072 0.000 1.019 68 I CB 2.444 40.503 38.000 0.098 0.000 1.227 68 I HN 0.865 nan 8.210 nan 0.000 0.434 69 G N 2.119 110.965 108.800 0.077 0.000 2.175 69 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 69 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 69 G C 0.196 175.124 174.900 0.048 0.000 0.982 69 G CA -0.506 44.635 45.100 0.068 0.000 0.641 69 G HN 0.387 nan 8.290 nan 0.000 0.527 70 K N 0.646 121.101 120.400 0.091 0.000 2.361 70 K HA 0.288 4.608 4.320 -0.000 0.000 0.283 70 K C 0.853 177.641 176.600 0.314 0.000 1.078 70 K CA 0.277 56.666 56.287 0.170 0.000 1.041 70 K CB 0.721 33.401 32.500 0.300 0.000 0.932 70 K HN 0.659 nan 8.250 nan 0.000 0.462 71 H N 0.933 120.081 119.070 0.130 0.000 2.356 71 H HA 0.130 4.686 4.556 -0.000 0.000 0.306 71 H C -0.041 175.426 175.328 0.233 0.000 1.142 71 H CA 0.570 56.697 56.048 0.131 0.000 1.673 71 H CB 0.220 29.998 29.762 0.026 0.000 1.505 71 H HN 0.446 nan 8.280 nan 0.000 0.638 72 S N 1.131 116.862 115.700 0.052 0.000 2.488 72 S HA 0.018 4.488 4.470 -0.000 0.000 0.278 72 S C 1.273 175.852 174.600 -0.034 0.000 1.259 72 S CA -0.369 57.826 58.200 -0.008 0.000 1.061 72 S CB 0.202 63.402 63.200 0.001 0.000 0.910 72 S HN 0.563 nan 8.310 nan 0.000 0.491 73 R N 3.573 124.048 120.500 -0.041 0.000 2.339 73 R HA -0.026 4.314 4.340 -0.000 0.000 0.199 73 R C 0.892 177.049 176.300 -0.239 0.000 1.018 73 R CA 1.232 57.144 56.100 -0.313 0.000 1.036 73 R CB -0.294 29.919 30.300 -0.147 0.000 0.899 73 R HN 0.678 nan 8.270 nan 0.000 0.473 74 T N 0.069 114.546 114.554 -0.128 0.000 2.967 74 T HA 0.115 4.465 4.350 -0.000 0.000 0.238 74 T C 0.754 175.402 174.700 -0.086 0.000 1.024 74 T CA 0.251 62.302 62.100 -0.082 0.000 1.234 74 T CB 0.074 68.922 68.868 -0.033 0.000 0.931 74 T HN 0.160 nan 8.240 nan 0.000 0.417 75 R N -0.377 120.089 120.500 -0.058 0.000 3.141 75 R HA 0.349 4.689 4.340 -0.000 0.000 0.244 75 R C -0.088 176.203 176.300 -0.016 0.000 1.161 75 R CA 0.046 56.137 56.100 -0.015 0.000 1.091 75 R CB -0.070 30.232 30.300 0.003 0.000 0.957 75 R HN 0.357 nan 8.270 nan 0.000 0.512 76 Y N -1.697 118.547 120.300 -0.094 0.000 2.914 76 Y HA 0.416 4.966 4.550 -0.000 0.000 0.324 76 Y C 0.932 176.785 175.900 -0.077 0.000 1.280 76 Y CA -0.622 57.421 58.100 -0.095 0.000 1.133 76 Y CB 1.278 39.696 38.460 -0.070 0.000 1.395 76 Y HN 0.315 nan 8.280 nan 0.000 0.645 77 R N -0.686 119.620 120.500 -0.324 0.000 4.379 77 R HA 0.226 4.566 4.340 -0.000 0.000 0.112 77 R C -0.860 175.363 176.300 -0.128 0.000 0.659 77 R CA 0.651 56.691 56.100 -0.100 0.000 1.167 77 R CB 0.215 30.609 30.300 0.156 0.000 1.572 77 R HN 0.829 nan 8.270 nan 0.000 0.426 78 N N 1.015 119.646 118.700 -0.116 0.000 2.642 78 N HA 0.216 4.956 4.740 -0.000 0.000 0.308 78 N C 0.381 175.821 175.510 -0.117 0.000 1.914 78 N CA 0.023 53.023 53.050 -0.084 0.000 0.893 78 N CB 1.152 39.627 38.487 -0.020 0.000 1.322 78 N HN 0.304 nan 8.380 nan 0.000 0.490 79 I N -4.359 116.100 120.570 -0.186 0.000 5.046 79 I HA 0.318 4.488 4.170 -0.000 0.000 0.341 79 I C 0.270 176.309 176.117 -0.129 0.000 1.257 79 I CA -0.215 60.946 61.300 -0.232 0.000 1.421 79 I CB 0.571 38.221 38.000 -0.582 0.000 1.495 79 I HN -0.005 nan 8.210 nan 0.000 0.518 80 E N 2.550 122.644 120.200 -0.176 0.000 2.345 80 E HA 0.396 4.746 4.350 -0.000 0.000 0.259 80 E C -0.841 175.700 176.600 -0.099 0.000 1.117 80 E CA -0.512 55.794 56.400 -0.156 0.000 0.913 80 E CB 1.053 30.564 29.700 -0.316 0.000 1.057 80 E HN 0.188 nan 8.360 nan 0.000 0.432 81 K N 1.707 122.072 120.400 -0.058 0.000 2.466 81 K HA 0.692 5.012 4.320 -0.000 0.000 0.260 81 K C -1.535 175.059 176.600 -0.011 0.000 1.011 81 K CA -0.824 55.457 56.287 -0.009 0.000 0.871 81 K CB 1.572 34.101 32.500 0.049 0.000 1.404 81 K HN 0.555 nan 8.250 nan 0.000 0.450 82 I N 0.295 120.878 120.570 0.021 0.000 2.728 82 I HA 0.358 4.527 4.170 -0.000 0.000 0.286 82 I C -1.979 174.164 176.117 0.043 0.000 1.623 82 I CA 0.160 61.480 61.300 0.032 0.000 1.048 82 I CB 1.462 39.480 38.000 0.029 0.000 1.474 82 I HN 0.559 nan 8.210 nan 0.000 0.439 83 S N 7.131 122.859 115.700 0.046 0.000 2.567 83 S HA 0.670 5.140 4.470 -0.000 0.000 0.270 83 S C -1.442 173.179 174.600 0.034 0.000 1.152 83 S CA -0.709 57.514 58.200 0.037 0.000 0.835 83 S CB 1.930 65.151 63.200 0.034 0.000 1.115 83 S HN 0.769 nan 8.310 nan 0.000 0.459 84 M N 4.019 123.630 119.600 0.019 0.000 2.578 84 M HA 0.587 5.067 4.480 -0.000 0.000 0.321 84 M C -1.036 175.253 176.300 -0.018 0.000 1.182 84 M CA -0.805 54.500 55.300 0.008 0.000 0.965 84 M CB 0.978 33.581 32.600 0.005 0.000 1.694 84 M HN 0.699 nan 8.290 nan 0.000 0.461 85 L N 2.050 123.254 121.223 -0.032 0.000 2.499 85 L HA 0.044 4.384 4.340 -0.000 0.000 0.281 85 L C 0.761 177.575 176.870 -0.094 0.000 1.234 85 L CA 0.189 54.982 54.840 -0.078 0.000 0.839 85 L CB -0.093 41.918 42.059 -0.080 0.000 1.104 85 L HN 0.881 nan 8.230 nan 0.000 0.500 86 E N 0.776 120.895 120.200 -0.135 0.000 2.340 86 E HA 0.071 4.420 4.350 -0.000 0.000 0.198 86 E C 0.010 176.497 176.600 -0.188 0.000 0.961 86 E CA 0.130 56.454 56.400 -0.128 0.000 0.905 86 E CB 0.662 30.297 29.700 -0.108 0.000 0.884 86 E HN 0.564 nan 8.360 nan 0.000 0.491 87 K N 0.228 120.456 120.400 -0.285 0.000 2.609 87 K HA 0.207 4.527 4.320 -0.000 0.000 0.261 87 K C -1.642 174.613 176.600 -0.576 0.000 0.945 87 K CA -0.409 55.607 56.287 -0.453 0.000 0.898 87 K CB 0.640 32.781 32.500 -0.598 0.000 1.349 87 K HN -0.053 nan 8.250 nan 0.000 0.420 88 I N 3.710 124.009 120.570 -0.452 0.000 2.713 88 I HA 0.345 4.515 4.170 -0.000 0.000 0.300 88 I C -0.804 175.062 176.117 -0.418 0.000 1.009 88 I CA -0.681 60.462 61.300 -0.262 0.000 1.305 88 I CB 0.803 38.740 38.000 -0.104 0.000 1.430 88 I HN 0.606 nan 8.210 nan 0.000 0.546 89 Y N 4.594 124.990 120.300 0.160 0.000 2.323 89 Y HA 0.468 5.018 4.550 -0.000 0.000 0.322 89 Y C -0.155 175.993 175.900 0.414 0.000 1.133 89 Y CA -0.524 57.761 58.100 0.309 0.000 1.093 89 Y CB 1.087 39.826 38.460 0.466 0.000 1.203 89 Y HN 0.253 nan 8.280 nan 0.000 0.427 90 I N 2.014 122.850 120.570 0.442 0.000 3.204 90 I HA 0.303 4.473 4.170 -0.000 0.000 0.313 90 I C -0.114 176.027 176.117 0.041 0.000 1.082 90 I CA -1.096 60.353 61.300 0.249 0.000 1.033 90 I CB 1.427 39.577 38.000 0.249 0.000 1.304 90 I HN 0.617 nan 8.210 nan 0.000 0.536 91 H N 4.468 123.339 119.070 -0.332 0.000 2.623 91 H HA 0.255 4.811 4.556 -0.000 0.000 0.299 91 H C -2.045 173.151 175.328 -0.221 0.000 1.052 91 H CA -1.838 53.796 56.048 -0.690 0.000 1.231 91 H CB 1.578 30.801 29.762 -0.898 0.000 1.389 91 H HN 0.192 nan 8.280 nan 0.000 0.469 92 P HA -0.088 nan 4.420 nan 0.000 0.247 92 P C 0.419 177.605 177.300 -0.190 0.000 1.215 92 P CA 0.720 63.691 63.100 -0.216 0.000 0.752 92 P CB -0.027 31.593 31.700 -0.134 0.000 0.927 93 R N -1.692 118.704 120.500 -0.174 0.000 2.615 93 R HA 0.150 4.490 4.340 -0.000 0.000 0.448 93 R C -0.183 176.192 176.300 0.125 0.000 1.009 93 R CA -0.656 55.441 56.100 -0.005 0.000 1.111 93 R CB -0.052 30.262 30.300 0.024 0.000 1.461 93 R HN 0.136 nan 8.270 nan 0.000 0.587 94 Y N 1.588 121.883 120.300 -0.009 0.000 2.442 94 Y HA 0.141 4.691 4.550 -0.000 0.000 0.330 94 Y C 0.075 175.887 175.900 -0.146 0.000 1.129 94 Y CA -0.724 57.370 58.100 -0.010 0.000 1.365 94 Y CB 0.505 39.001 38.460 0.060 0.000 1.233 94 Y HN -0.108 nan 8.280 nan 0.000 0.529 95 N N 7.588 126.484 118.700 0.326 0.000 2.994 95 N HA 0.042 4.782 4.740 -0.000 0.000 0.306 95 N C 0.276 175.714 175.510 -0.119 0.000 1.348 95 N CA -0.183 52.824 53.050 -0.071 0.000 1.109 95 N CB -0.402 38.079 38.487 -0.010 0.000 1.415 95 N HN 0.745 nan 8.380 nan 0.000 0.529 96 W N 0.632 121.749 121.300 -0.306 0.000 3.257 96 W HA -0.018 4.642 4.660 -0.000 0.000 0.288 96 W C 0.293 176.741 176.519 -0.118 0.000 1.324 96 W CA -0.367 56.863 57.345 -0.193 0.000 1.491 96 W CB -0.506 28.681 29.460 -0.454 0.000 1.009 96 W HN 0.133 nan 8.180 nan 0.000 0.727 97 E N 2.741 122.830 120.200 -0.185 0.000 2.446 97 E HA -0.341 4.009 4.350 -0.000 0.000 0.248 97 E C 1.189 177.716 176.600 -0.122 0.000 1.081 97 E CA 2.803 59.128 56.400 -0.126 0.000 1.143 97 E CB -0.946 28.688 29.700 -0.110 0.000 1.012 97 E HN 0.649 nan 8.360 nan 0.000 0.487 98 N N -1.685 116.952 118.700 -0.105 0.000 2.039 98 N HA 0.078 4.818 4.740 -0.000 0.000 0.228 98 N C 0.096 175.513 175.510 -0.156 0.000 1.369 98 N CA -0.007 52.924 53.050 -0.197 0.000 0.806 98 N CB 0.090 38.508 38.487 -0.116 0.000 1.190 98 N HN 0.150 nan 8.380 nan 0.000 0.506 99 L N 1.727 122.966 121.223 0.026 0.000 3.453 99 L HA -0.219 4.121 4.340 -0.000 0.000 0.650 99 L C -1.333 175.663 176.870 0.210 0.000 1.276 99 L CA 0.840 55.814 54.840 0.223 0.000 1.063 99 L CB -1.421 40.735 42.059 0.162 0.000 1.664 99 L HN 0.606 nan 8.230 nan 0.000 0.878 100 D N 0.167 120.689 120.400 0.203 0.000 2.384 100 D HA 0.627 5.267 4.640 -0.000 0.000 0.250 100 D C 0.604 176.947 176.300 0.071 0.000 1.029 100 D CA -0.628 53.453 54.000 0.135 0.000 0.990 100 D CB 0.637 41.507 40.800 0.117 0.000 1.175 100 D HN 0.246 nan 8.370 nan 0.000 0.532 101 R N -0.829 119.665 120.500 -0.009 0.000 3.502 101 R HA -0.212 4.127 4.340 -0.000 0.000 0.266 101 R C -0.807 175.332 176.300 -0.268 0.000 1.077 101 R CA 0.639 56.649 56.100 -0.150 0.000 0.718 101 R CB -1.905 28.318 30.300 -0.128 0.000 1.120 101 R HN 0.562 nan 8.270 nan 0.000 0.457 102 D N 1.228 121.484 120.400 -0.240 0.000 2.479 102 D HA 0.219 4.859 4.640 -0.000 0.000 0.253 102 D C -0.121 175.997 176.300 -0.303 0.000 1.278 102 D CA 0.560 54.313 54.000 -0.410 0.000 1.145 102 D CB 0.090 40.732 40.800 -0.264 0.000 1.118 102 D HN 0.371 nan 8.370 nan 0.000 0.513 103 I N 1.126 121.498 120.570 -0.329 0.000 2.752 103 I HA 0.658 4.828 4.170 -0.000 0.000 0.295 103 I C -1.827 174.237 176.117 -0.089 0.000 1.219 103 I CA -0.587 60.625 61.300 -0.146 0.000 1.030 103 I CB 1.668 39.604 38.000 -0.107 0.000 1.259 103 I HN 0.288 nan 8.210 nan 0.000 0.423 104 A N 6.269 129.158 122.820 0.114 0.000 2.574 104 A HA 0.820 5.140 4.320 -0.000 0.000 0.297 104 A C -2.291 175.538 177.584 0.408 0.000 1.062 104 A CA -0.453 51.736 52.037 0.254 0.000 0.686 104 A CB 1.897 20.998 19.000 0.169 0.000 1.285 104 A HN 0.777 nan 8.150 nan 0.000 0.403 105 L N 0.784 122.339 121.223 0.554 0.000 2.376 105 L HA 0.967 5.307 4.340 -0.000 0.000 0.258 105 L C -1.237 175.886 176.870 0.422 0.000 1.013 105 L CA -0.581 54.584 54.840 0.542 0.000 0.822 105 L CB 1.928 44.400 42.059 0.688 0.000 1.388 105 L HN 0.755 nan 8.230 nan 0.000 0.413 106 M N 3.444 123.193 119.600 0.249 0.000 2.183 106 M HA 0.385 4.865 4.480 -0.000 0.000 0.277 106 M C -0.788 175.303 176.300 -0.350 0.000 0.995 106 M CA -0.640 54.642 55.300 -0.029 0.000 0.969 106 M CB 1.879 34.474 32.600 -0.009 0.000 1.659 106 M HN 0.347 nan 8.290 nan 0.000 0.462 107 K N 4.317 124.312 120.400 -0.675 0.000 2.054 107 K HA 0.219 4.539 4.320 -0.000 0.000 0.242 107 K C -0.447 175.862 176.600 -0.486 0.000 1.157 107 K CA 0.043 55.684 56.287 -1.076 0.000 1.079 107 K CB -0.345 31.710 32.500 -0.742 0.000 1.331 107 K HN 0.819 nan 8.250 nan 0.000 0.317 108 L N 4.389 125.410 121.223 -0.337 0.000 2.877 108 L HA -0.224 4.116 4.340 -0.000 0.000 0.287 108 L C 1.893 178.701 176.870 -0.104 0.000 1.112 108 L CA 0.572 55.335 54.840 -0.127 0.000 0.986 108 L CB -0.091 41.952 42.059 -0.026 0.000 1.384 108 L HN 0.624 nan 8.230 nan 0.000 0.460 109 K N 3.652 124.000 120.400 -0.087 0.000 2.206 109 K HA -0.220 4.100 4.320 -0.000 0.000 0.211 109 K C 0.280 176.865 176.600 -0.025 0.000 1.047 109 K CA 1.732 57.984 56.287 -0.058 0.000 0.933 109 K CB 0.226 32.703 32.500 -0.040 0.000 0.721 109 K HN 0.584 nan 8.250 nan 0.000 0.471 110 K N -0.667 119.725 120.400 -0.013 0.000 2.495 110 K HA 0.403 4.723 4.320 -0.000 0.000 0.268 110 K C -2.799 173.813 176.600 0.019 0.000 1.008 110 K CA -2.134 54.157 56.287 0.007 0.000 0.882 110 K CB 2.375 34.880 32.500 0.008 0.000 1.443 110 K HN -0.127 nan 8.250 nan 0.000 0.447 111 P HA 0.242 nan 4.420 nan 0.000 0.298 111 P C -0.924 176.381 177.300 0.009 0.000 1.314 111 P CA -0.697 62.421 63.100 0.031 0.000 0.854 111 P CB 1.214 32.926 31.700 0.020 0.000 1.019 112 V N 1.650 121.583 119.914 0.032 0.000 2.607 112 V HA 0.633 4.753 4.120 -0.000 0.000 0.289 112 V C 0.620 176.638 176.094 -0.127 0.000 1.053 112 V CA -0.733 61.581 62.300 0.025 0.000 0.996 112 V CB 0.778 32.682 31.823 0.135 0.000 0.995 112 V HN 0.682 nan 8.190 nan 0.000 0.476 113 A N 4.035 126.785 122.820 -0.117 0.000 2.273 113 A HA 0.802 5.121 4.320 -0.000 0.000 0.315 113 A C -0.388 177.154 177.584 -0.070 0.000 1.256 113 A CA -0.515 51.351 52.037 -0.285 0.000 0.851 113 A CB 0.108 18.995 19.000 -0.189 0.000 1.172 113 A HN 0.537 nan 8.150 nan 0.000 0.508 114 F N 1.371 121.345 119.950 0.039 0.000 2.633 114 F HA 0.469 4.996 4.527 -0.000 0.000 0.338 114 F C 1.305 177.149 175.800 0.072 0.000 1.206 114 F CA 0.384 58.415 58.000 0.051 0.000 1.378 114 F CB 0.035 39.040 39.000 0.008 0.000 1.116 114 F HN 0.552 nan 8.300 nan 0.000 0.615 115 S N -1.093 114.792 115.700 0.308 0.000 2.645 115 S HA 0.176 4.645 4.470 -0.000 0.000 0.268 115 S C 0.002 174.649 174.600 0.078 0.000 1.110 115 S CA -0.756 57.553 58.200 0.182 0.000 0.823 115 S CB 0.761 64.060 63.200 0.165 0.000 1.091 115 S HN 0.537 nan 8.310 nan 0.000 0.466 116 D N 0.278 120.629 120.400 -0.082 0.000 2.407 116 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 116 D C 0.844 176.774 176.300 -0.616 0.000 1.024 116 D CA 2.181 55.931 54.000 -0.416 0.000 0.924 116 D CB -0.149 40.177 40.800 -0.791 0.000 0.888 116 D HN 0.536 nan 8.370 nan 0.000 0.456 117 Y N -1.091 119.214 120.300 0.008 0.000 2.498 117 Y HA 0.302 4.852 4.550 -0.000 0.000 0.259 117 Y C 0.792 176.690 175.900 -0.004 0.000 1.086 117 Y CA -0.476 57.610 58.100 -0.023 0.000 1.287 117 Y CB 0.534 38.982 38.460 -0.021 0.000 1.146 117 Y HN -0.091 nan 8.280 nan 0.000 0.523 118 I N -1.142 119.527 120.570 0.165 0.000 2.447 118 I HA 0.633 4.803 4.170 -0.000 0.000 0.287 118 I C -1.189 175.037 176.117 0.182 0.000 1.023 118 I CA -0.449 60.950 61.300 0.166 0.000 1.083 118 I CB 1.682 39.812 38.000 0.216 0.000 1.245 118 I HN 0.062 nan 8.210 nan 0.000 0.434 119 H N 6.348 125.402 119.070 -0.027 0.000 3.085 119 H HA 0.596 5.152 4.556 -0.000 0.000 0.356 119 H C -3.003 172.266 175.328 -0.098 0.000 1.178 119 H CA -1.379 54.560 56.048 -0.183 0.000 1.214 119 H CB 2.728 32.460 29.762 -0.051 0.000 1.881 119 H HN 0.426 nan 8.280 nan 0.000 0.538 120 P HA 0.110 nan 4.420 nan 0.000 0.274 120 P C -0.820 176.474 177.300 -0.011 0.000 1.246 120 P CA -0.391 62.559 63.100 -0.251 0.000 0.795 120 P CB 1.120 32.513 31.700 -0.511 0.000 1.006 121 V N 0.819 120.615 119.914 -0.197 0.000 2.769 121 V HA 0.371 4.491 4.120 -0.000 0.000 0.312 121 V C -0.077 175.811 176.094 -0.343 0.000 1.058 121 V CA -0.296 61.705 62.300 -0.498 0.000 0.952 121 V CB 1.758 33.075 31.823 -0.844 0.000 1.019 121 V HN 0.752 nan 8.190 nan 0.000 0.445 122 C N 4.427 123.451 119.300 -0.461 0.000 2.435 122 C HA 0.762 5.222 4.460 -0.000 0.000 0.333 122 C C -0.222 174.517 174.990 -0.420 0.000 1.202 122 C CA -1.341 57.414 59.018 -0.438 0.000 1.830 122 C CB 0.344 27.751 27.740 -0.555 0.000 2.326 122 C HN 0.659 nan 8.230 nan 0.000 0.507 123 L N 3.270 124.389 121.223 -0.173 0.000 2.350 123 L HA 0.444 4.784 4.340 -0.000 0.000 0.275 123 L C -1.809 175.200 176.870 0.231 0.000 1.099 123 L CA -1.048 53.817 54.840 0.042 0.000 0.808 123 L CB 0.134 42.224 42.059 0.052 0.000 1.149 123 L HN 0.476 nan 8.230 nan 0.000 0.442 124 P HA 0.130 nan 4.420 nan 0.000 0.272 124 P C -1.614 175.738 177.300 0.086 0.000 1.254 124 P CA -0.349 62.886 63.100 0.226 0.000 0.795 124 P CB 0.353 32.048 31.700 -0.008 0.000 1.022 125 D N -2.402 117.839 120.400 -0.264 0.000 2.879 125 D HA 0.284 4.924 4.640 -0.000 0.000 0.236 125 D C 0.832 176.678 176.300 -0.758 0.000 1.171 125 D CA -0.967 52.848 54.000 -0.309 0.000 0.868 125 D CB 1.108 41.841 40.800 -0.112 0.000 1.598 125 D HN 0.166 nan 8.370 nan 0.000 0.497 126 R N 1.076 121.118 120.500 -0.763 0.000 2.165 126 R HA -0.337 4.003 4.340 -0.000 0.000 0.254 126 R C 1.418 177.468 176.300 -0.417 0.000 1.153 126 R CA 2.233 57.961 56.100 -0.621 0.000 0.971 126 R CB -0.000 30.253 30.300 -0.078 0.000 0.878 126 R HN 0.709 nan 8.270 nan 0.000 0.449 127 E N -0.436 119.584 120.200 -0.300 0.000 2.021 127 E HA -0.123 4.227 4.350 -0.000 0.000 0.200 127 E C -0.161 176.253 176.600 -0.310 0.000 1.015 127 E CA 1.859 58.114 56.400 -0.242 0.000 0.824 127 E CB -0.006 29.578 29.700 -0.192 0.000 0.762 127 E HN 0.245 nan 8.360 nan 0.000 0.454 128 T N 1.409 115.724 114.554 -0.399 0.000 2.752 128 T HA 0.218 4.567 4.350 -0.000 0.000 0.295 128 T C 0.793 175.225 174.700 -0.446 0.000 0.923 128 T CA 0.320 62.130 62.100 -0.484 0.000 1.112 128 T CB 0.587 68.992 68.868 -0.772 0.000 0.884 128 T HN 0.312 nan 8.240 nan 0.000 0.525 129 L N 1.246 122.310 121.223 -0.264 0.000 2.286 129 L HA -0.179 4.161 4.340 -0.000 0.000 0.465 129 L C 0.712 177.372 176.870 -0.349 0.000 0.705 129 L CA 0.719 55.411 54.840 -0.246 0.000 3.281 129 L CB -1.171 40.770 42.059 -0.198 0.000 0.595 129 L HN 0.535 nan 8.230 nan 0.000 0.785 130 L N 2.605 123.609 121.223 -0.366 0.000 2.449 130 L HA 0.082 4.422 4.340 -0.000 0.000 0.266 130 L C 0.384 176.985 176.870 -0.448 0.000 1.321 130 L CA 0.907 55.474 54.840 -0.456 0.000 1.194 130 L CB -0.191 41.587 42.059 -0.469 0.000 1.384 130 L HN 0.289 nan 8.230 nan 0.000 0.438 131 Q N 1.073 120.574 119.800 -0.499 0.000 2.345 131 Q HA 0.553 4.893 4.340 -0.000 0.000 0.275 131 Q C -0.390 175.413 176.000 -0.329 0.000 1.063 131 Q CA -0.814 54.675 55.803 -0.523 0.000 0.819 131 Q CB 2.871 30.999 28.738 -1.017 0.000 1.356 131 Q HN 0.588 nan 8.270 nan 0.000 0.418 132 A N 0.857 123.556 122.820 -0.201 0.000 2.616 132 A HA 0.246 4.566 4.320 -0.000 0.000 0.234 132 A C 1.273 178.902 177.584 0.074 0.000 1.024 132 A CA 1.465 53.454 52.037 -0.080 0.000 0.758 132 A CB -0.747 18.222 19.000 -0.053 0.000 0.939 132 A HN 1.223 nan 8.150 nan 0.000 0.510 133 G N 0.574 109.413 108.800 0.064 0.000 2.284 133 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.268 133 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.268 133 G C 0.082 175.094 174.900 0.187 0.000 0.980 133 G CA 1.108 46.272 45.100 0.107 0.000 0.631 133 G HN 0.969 nan 8.290 nan 0.000 0.548 134 Y N 1.801 122.050 120.300 -0.085 0.000 2.452 134 Y HA 0.499 5.049 4.550 -0.000 0.000 0.348 134 Y C 1.180 177.049 175.900 -0.053 0.000 0.985 134 Y CA -1.053 57.003 58.100 -0.074 0.000 1.214 134 Y CB 0.461 38.865 38.460 -0.093 0.000 1.136 134 Y HN 0.122 nan 8.280 nan 0.000 0.523 135 K N 1.621 122.068 120.400 0.078 0.000 2.336 135 K HA 0.415 4.735 4.320 -0.000 0.000 0.262 135 K C 0.562 177.201 176.600 0.065 0.000 0.992 135 K CA 0.200 56.511 56.287 0.041 0.000 0.927 135 K CB 0.430 32.924 32.500 -0.010 0.000 0.956 135 K HN 0.888 nan 8.250 nan 0.000 0.495 136 G N 0.774 109.588 108.800 0.023 0.000 2.563 136 G HA2 0.434 4.394 3.960 -0.000 0.000 0.302 136 G HA3 0.434 4.394 3.960 -0.000 0.000 0.302 136 G C -1.561 173.012 174.900 -0.544 0.000 1.301 136 G CA -0.656 44.268 45.100 -0.293 0.000 0.965 136 G HN 0.500 nan 8.290 nan 0.000 0.480 137 R N 1.033 121.212 120.500 -0.535 0.000 2.494 137 R HA 0.603 4.943 4.340 -0.000 0.000 0.305 137 R C -1.721 174.338 176.300 -0.401 0.000 0.959 137 R CA -0.525 55.379 56.100 -0.327 0.000 0.864 137 R CB 2.056 32.314 30.300 -0.070 0.000 1.159 137 R HN 0.390 nan 8.270 nan 0.000 0.446 138 V N 4.964 124.730 119.914 -0.247 0.000 2.398 138 V HA 0.460 4.580 4.120 -0.000 0.000 0.286 138 V C -0.336 175.740 176.094 -0.031 0.000 1.026 138 V CA -0.064 62.204 62.300 -0.052 0.000 0.868 138 V CB 1.830 33.748 31.823 0.158 0.000 0.982 138 V HN 1.046 nan 8.190 nan 0.000 0.443 139 T N 3.090 117.621 114.554 -0.038 0.000 2.927 139 T HA 1.014 5.364 4.350 -0.000 0.000 0.286 139 T C 0.087 174.692 174.700 -0.159 0.000 1.040 139 T CA -0.280 61.739 62.100 -0.136 0.000 1.010 139 T CB 1.837 70.560 68.868 -0.241 0.000 1.177 139 T HN 1.579 nan 8.240 nan 0.000 0.546 140 G N -1.049 107.539 108.800 -0.353 0.000 2.362 140 G HA2 0.243 4.203 3.960 -0.000 0.000 0.288 140 G HA3 0.243 4.203 3.960 -0.000 0.000 0.288 140 G C -1.253 173.407 174.900 -0.399 0.000 1.305 140 G CA -0.604 44.246 45.100 -0.417 0.000 0.910 140 G HN 0.710 nan 8.290 nan 0.000 0.518 141 W N 0.755 122.062 121.300 0.011 0.000 2.714 141 W HA 0.403 5.063 4.660 -0.000 0.000 0.353 141 W C 1.326 177.855 176.519 0.017 0.000 0.999 141 W CA -0.207 57.137 57.345 -0.002 0.000 1.629 141 W CB 0.441 29.892 29.460 -0.015 0.000 1.106 141 W HN 0.950 nan 8.180 nan 0.000 0.545 142 G N 1.985 110.929 108.800 0.240 0.000 2.777 142 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.286 142 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.286 142 G C -0.129 174.843 174.900 0.119 0.000 1.283 142 G CA 0.016 45.213 45.100 0.162 0.000 1.060 142 G HN 0.039 nan 8.290 nan 0.000 0.641 143 N N -0.384 118.372 118.700 0.092 0.000 2.402 143 N HA 0.174 4.914 4.740 -0.000 0.000 0.259 143 N C 1.537 177.084 175.510 0.062 0.000 1.167 143 N CA -0.357 52.736 53.050 0.071 0.000 0.949 143 N CB 0.611 39.135 38.487 0.060 0.000 1.212 143 N HN 0.333 nan 8.380 nan 0.000 0.493 144 L N 1.449 122.706 121.223 0.057 0.000 2.483 144 L HA -0.196 4.144 4.340 -0.000 0.000 0.224 144 L C 0.461 177.358 176.870 0.045 0.000 1.135 144 L CA 1.687 56.557 54.840 0.049 0.000 0.790 144 L CB -0.606 41.478 42.059 0.042 0.000 0.911 144 L HN 0.522 nan 8.230 nan 0.000 0.445 145 K N -2.069 118.357 120.400 0.044 0.000 2.555 145 K HA 0.254 4.574 4.320 -0.000 0.000 0.279 145 K C -0.573 176.052 176.600 0.041 0.000 0.986 145 K CA -0.841 55.471 56.287 0.040 0.000 0.880 145 K CB 1.531 34.051 32.500 0.033 0.000 1.474 145 K HN -0.099 nan 8.250 nan 0.000 0.433 146 E N 1.082 121.305 120.200 0.038 0.000 2.534 146 E HA -0.031 4.319 4.350 -0.000 0.000 0.264 146 E C -0.504 176.116 176.600 0.033 0.000 0.981 146 E CA 0.702 57.125 56.400 0.037 0.000 0.948 146 E CB 0.298 30.018 29.700 0.033 0.000 0.934 146 E HN 0.712 nan 8.360 nan 0.000 0.459 147 T N 2.347 116.921 114.554 0.033 0.000 2.308 147 T HA 0.089 4.439 4.350 -0.000 0.000 0.204 147 T C 0.070 174.783 174.700 0.022 0.000 1.089 147 T CA 1.661 63.778 62.100 0.027 0.000 1.419 147 T CB -0.996 67.886 68.868 0.023 0.000 1.041 147 T HN 0.695 nan 8.240 nan 0.000 0.458 148 W N 0.326 121.639 121.300 0.022 0.000 4.483 148 W HA 0.579 5.239 4.660 -0.000 0.000 0.338 148 W C 1.966 178.496 176.519 0.019 0.000 3.472 148 W CA 1.368 58.724 57.345 0.019 0.000 1.136 148 W CB -0.740 28.732 29.460 0.021 0.000 2.116 148 W HN 1.491 nan 8.180 nan 0.000 0.348 149 K N 0.551 120.966 120.400 0.025 0.000 2.728 149 K HA -0.072 4.248 4.320 -0.000 0.000 0.241 149 K C 1.774 178.392 176.600 0.030 0.000 0.930 149 K CA 3.562 59.865 56.287 0.027 0.000 0.715 149 K CB -2.255 30.258 32.500 0.023 0.000 1.226 149 K HN 2.505 nan 8.250 nan 0.000 0.469 150 G N -2.594 106.226 108.800 0.033 0.000 2.906 150 G HA2 0.352 4.312 3.960 -0.000 0.000 0.200 150 G HA3 0.352 4.312 3.960 -0.000 0.000 0.200 150 G C 0.344 175.272 174.900 0.046 0.000 1.101 150 G CA 0.680 45.801 45.100 0.035 0.000 0.760 150 G HN 0.532 nan 8.290 nan 0.000 0.694 151 Q N -0.110 119.719 119.800 0.049 0.000 2.522 151 Q HA 0.330 4.670 4.340 -0.000 0.000 0.285 151 Q C -3.075 172.962 176.000 0.061 0.000 0.982 151 Q CA -1.474 54.368 55.803 0.065 0.000 0.805 151 Q CB 2.991 31.770 28.738 0.068 0.000 1.457 151 Q HN 0.101 nan 8.270 nan 0.000 0.394 152 P HA 0.275 nan 4.420 nan 0.000 0.280 152 P C 0.031 177.372 177.300 0.069 0.000 1.272 152 P CA -0.279 62.863 63.100 0.070 0.000 0.819 152 P CB 0.899 32.646 31.700 0.078 0.000 1.122 153 S N -0.756 114.969 115.700 0.042 0.000 2.362 153 S HA 0.051 4.521 4.470 -0.000 0.000 0.221 153 S C 1.044 175.657 174.600 0.023 0.000 1.032 153 S CA 0.593 58.807 58.200 0.023 0.000 0.973 153 S CB -0.168 63.038 63.200 0.011 0.000 0.849 153 S HN 0.355 nan 8.310 nan 0.000 0.465 154 V N 1.098 121.011 119.914 -0.002 0.000 3.126 154 V HA 0.503 4.622 4.120 -0.000 0.000 0.314 154 V C -1.085 174.966 176.094 -0.071 0.000 1.138 154 V CA -1.302 60.937 62.300 -0.102 0.000 1.034 154 V CB 1.904 33.507 31.823 -0.366 0.000 1.075 154 V HN 0.325 nan 8.190 nan 0.000 0.442 155 L N 4.036 125.099 121.223 -0.268 0.000 2.584 155 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 155 L C -0.030 176.638 176.870 -0.335 0.000 1.195 155 L CA 0.840 55.354 54.840 -0.543 0.000 0.920 155 L CB 0.132 41.794 42.059 -0.661 0.000 1.173 155 L HN 0.623 nan 8.230 nan 0.000 0.489 156 Q N 4.553 124.166 119.800 -0.311 0.000 2.271 156 Q HA 0.433 4.773 4.340 -0.000 0.000 0.258 156 Q C -1.003 174.903 176.000 -0.156 0.000 0.936 156 Q CA -0.557 55.148 55.803 -0.163 0.000 0.909 156 Q CB 2.208 30.899 28.738 -0.078 0.000 1.253 156 Q HN 0.485 nan 8.270 nan 0.000 0.440 157 V N 2.977 122.829 119.914 -0.103 0.000 2.417 157 V HA 0.549 4.669 4.120 -0.000 0.000 0.291 157 V C -0.460 175.619 176.094 -0.026 0.000 1.024 157 V CA -0.584 61.668 62.300 -0.079 0.000 0.861 157 V CB 1.992 33.767 31.823 -0.078 0.000 0.985 157 V HN 0.534 nan 8.190 nan 0.000 0.436 158 V N 5.499 125.405 119.914 -0.013 0.000 2.971 158 V HA 0.667 4.787 4.120 -0.000 0.000 0.309 158 V C -1.355 174.740 176.094 0.002 0.000 1.130 158 V CA -0.724 61.594 62.300 0.030 0.000 0.964 158 V CB 2.896 34.759 31.823 0.067 0.000 1.029 158 V HN 1.086 nan 8.190 nan 0.000 0.427 159 N N 5.136 123.855 118.700 0.032 0.000 2.295 159 N HA 0.814 5.553 4.740 -0.000 0.000 0.293 159 N C -1.521 173.961 175.510 -0.046 0.000 1.040 159 N CA -0.591 52.444 53.050 -0.025 0.000 0.840 159 N CB 2.013 40.503 38.487 0.006 0.000 1.468 159 N HN 0.482 nan 8.380 nan 0.000 0.478 160 L N 0.803 121.957 121.223 -0.115 0.000 2.388 160 L HA 0.722 5.062 4.340 -0.000 0.000 0.264 160 L C -2.510 174.281 176.870 -0.132 0.000 0.998 160 L CA -2.147 52.548 54.840 -0.241 0.000 0.817 160 L CB 2.804 44.812 42.059 -0.084 0.000 1.338 160 L HN 0.358 nan 8.230 nan 0.000 0.414 161 P HA 0.254 nan 4.420 nan 0.000 0.276 161 P C -0.955 176.307 177.300 -0.063 0.000 1.244 161 P CA -0.402 62.628 63.100 -0.117 0.000 0.801 161 P CB 0.714 32.321 31.700 -0.155 0.000 1.006 162 I N 0.669 121.205 120.570 -0.056 0.000 2.612 162 I HA 0.212 4.381 4.170 -0.000 0.000 0.295 162 I C 0.453 176.478 176.117 -0.152 0.000 1.011 162 I CA -0.880 60.342 61.300 -0.130 0.000 1.326 162 I CB 0.471 38.338 38.000 -0.222 0.000 1.427 162 I HN 0.028 nan 8.210 nan 0.000 0.537 163 V N 3.804 123.592 119.914 -0.209 0.000 2.394 163 V HA 0.186 4.305 4.120 -0.000 0.000 0.282 163 V C -0.114 175.848 176.094 -0.221 0.000 1.031 163 V CA -0.902 61.230 62.300 -0.281 0.000 0.881 163 V CB 1.230 32.757 31.823 -0.493 0.000 0.982 163 V HN 0.642 nan 8.190 nan 0.000 0.451 164 E N 3.786 123.877 120.200 -0.181 0.000 2.603 164 E HA -0.043 4.307 4.350 -0.000 0.000 0.242 164 E C 1.126 177.659 176.600 -0.113 0.000 1.083 164 E CA 0.231 56.558 56.400 -0.121 0.000 0.950 164 E CB -0.187 29.461 29.700 -0.085 0.000 0.952 164 E HN 0.471 nan 8.360 nan 0.000 0.498 165 R N 4.951 125.399 120.500 -0.087 0.000 2.196 165 R HA -0.231 4.109 4.340 -0.000 0.000 0.259 165 R C -0.807 175.488 176.300 -0.008 0.000 1.154 165 R CA 2.190 58.264 56.100 -0.044 0.000 0.976 165 R CB -0.963 29.326 30.300 -0.017 0.000 0.888 165 R HN 0.518 nan 8.270 nan 0.000 0.453 166 P HA -0.155 nan 4.420 nan 0.000 0.210 166 P C 1.326 178.646 177.300 0.034 0.000 1.185 166 P CA 1.424 64.535 63.100 0.019 0.000 0.924 166 P CB -0.206 31.500 31.700 0.009 0.000 0.786 167 V N -0.311 119.601 119.914 -0.002 0.000 2.439 167 V HA -0.320 3.800 4.120 -0.000 0.000 0.253 167 V C 2.788 178.915 176.094 0.055 0.000 1.074 167 V CA 1.983 64.285 62.300 0.004 0.000 1.076 167 V CB -1.844 29.913 31.823 -0.110 0.000 0.664 167 V HN 0.202 nan 8.190 nan 0.000 0.461 168 c N -0.213 118.390 118.600 0.005 0.000 2.432 168 c HA -0.123 4.447 4.570 -0.000 0.000 0.277 168 c C 2.622 176.920 174.090 0.345 0.000 1.249 168 c CA 0.835 57.233 56.329 0.116 0.000 1.725 168 c CB -0.920 41.560 42.510 -0.051 0.000 2.028 168 c HN 0.520 nan 8.230 nan 0.000 0.477 169 K N 0.383 120.925 120.400 0.236 0.000 2.519 169 K HA -0.077 4.243 4.320 -0.000 0.000 0.196 169 K C 0.190 176.914 176.600 0.208 0.000 1.041 169 K CA 0.825 57.251 56.287 0.230 0.000 0.954 169 K CB -0.205 32.388 32.500 0.155 0.000 0.774 169 K HN 0.595 nan 8.250 nan 0.000 0.480 170 D N -0.295 120.241 120.400 0.226 0.000 2.623 170 D HA 0.050 4.690 4.640 -0.000 0.000 0.252 170 D C 0.777 177.225 176.300 0.246 0.000 1.294 170 D CA 0.176 54.293 54.000 0.195 0.000 0.824 170 D CB 0.964 41.849 40.800 0.141 0.000 1.070 170 D HN 0.097 nan 8.370 nan 0.000 0.487 171 S N -1.671 114.227 115.700 0.330 0.000 2.566 171 S HA 0.039 4.509 4.470 -0.000 0.000 0.234 171 S C 1.293 176.010 174.600 0.194 0.000 1.075 171 S CA 0.152 58.526 58.200 0.291 0.000 0.926 171 S CB 0.805 64.266 63.200 0.435 0.000 0.811 171 S HN 0.091 nan 8.310 nan 0.000 0.518 172 T N 0.665 115.354 114.554 0.226 0.000 2.924 172 T HA 0.621 4.971 4.350 -0.000 0.000 0.301 172 T C 0.790 175.549 174.700 0.099 0.000 1.120 172 T CA 0.644 62.822 62.100 0.131 0.000 0.940 172 T CB 1.195 70.124 68.868 0.102 0.000 1.591 172 T HN 0.497 nan 8.240 nan 0.000 0.578 173 R N -0.389 120.143 120.500 0.054 0.000 2.471 173 R HA 0.425 4.765 4.340 -0.000 0.000 0.326 173 R C 0.306 176.607 176.300 0.002 0.000 0.875 173 R CA -0.156 55.964 56.100 0.033 0.000 1.102 173 R CB -0.840 29.469 30.300 0.015 0.000 1.749 173 R HN 0.671 nan 8.270 nan 0.000 0.487 174 I N 1.617 122.177 120.570 -0.018 0.000 2.395 174 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 174 I C 0.580 176.716 176.117 0.031 0.000 1.023 174 I CA -0.960 60.297 61.300 -0.073 0.000 1.350 174 I CB 1.716 39.542 38.000 -0.290 0.000 1.409 174 I HN 0.256 nan 8.210 nan 0.000 0.507 175 R N 7.668 128.176 120.500 0.014 0.000 2.498 175 R HA 0.138 4.478 4.340 -0.000 0.000 0.334 175 R C -0.286 176.082 176.300 0.113 0.000 1.106 175 R CA -0.105 56.028 56.100 0.056 0.000 0.995 175 R CB -0.259 30.056 30.300 0.025 0.000 0.989 175 R HN 0.634 nan 8.270 nan 0.000 0.455 176 I N 2.082 122.761 120.570 0.182 0.000 2.315 176 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 176 I C -0.019 176.223 176.117 0.208 0.000 1.006 176 I CA -0.762 60.705 61.300 0.277 0.000 1.265 176 I CB 1.667 39.920 38.000 0.423 0.000 1.387 176 I HN 0.418 nan 8.210 nan 0.000 0.475 177 T N 0.374 115.049 114.554 0.201 0.000 2.909 177 T HA 0.254 4.604 4.350 -0.000 0.000 0.286 177 T C 0.532 175.327 174.700 0.160 0.000 1.002 177 T CA -0.541 61.648 62.100 0.150 0.000 1.074 177 T CB 1.297 70.237 68.868 0.121 0.000 0.984 177 T HN 0.743 nan 8.240 nan 0.000 0.495 178 D N 0.768 121.240 120.400 0.121 0.000 2.429 178 D HA -0.120 4.520 4.640 -0.000 0.000 0.237 178 D C 1.112 177.507 176.300 0.158 0.000 1.045 178 D CA 0.265 54.336 54.000 0.118 0.000 0.974 178 D CB -0.179 40.658 40.800 0.062 0.000 0.871 178 D HN 0.493 nan 8.370 nan 0.000 0.525 179 N N -0.493 118.314 118.700 0.179 0.000 2.197 179 N HA 0.110 4.850 4.740 -0.000 0.000 0.201 179 N C -0.419 175.255 175.510 0.274 0.000 1.148 179 N CA 0.091 53.265 53.050 0.206 0.000 0.883 179 N CB 0.463 39.010 38.487 0.100 0.000 1.012 179 N HN 0.228 nan 8.380 nan 0.000 0.507 180 M N 0.732 120.474 119.600 0.237 0.000 2.528 180 M HA 0.389 4.869 4.480 -0.000 0.000 0.321 180 M C -0.946 175.418 176.300 0.107 0.000 1.153 180 M CA -1.057 54.330 55.300 0.145 0.000 0.951 180 M CB 2.001 34.730 32.600 0.215 0.000 1.705 180 M HN -0.117 nan 8.290 nan 0.000 0.451 181 F N 0.362 120.226 119.950 -0.143 0.000 2.593 181 F HA 0.861 5.388 4.527 -0.000 0.000 0.320 181 F C -0.686 174.852 175.800 -0.436 0.000 1.060 181 F CA -1.519 56.302 58.000 -0.298 0.000 0.940 181 F CB 0.859 39.613 39.000 -0.409 0.000 1.268 181 F HN 0.791 nan 8.300 nan 0.000 0.475 182 c N 1.958 120.366 118.600 -0.320 0.000 2.411 182 c HA 0.974 5.544 4.570 -0.000 0.000 0.330 182 c C -0.035 173.930 174.090 -0.209 0.000 1.224 182 c CA -0.100 55.899 56.329 -0.550 0.000 1.770 182 c CB 0.206 42.032 42.510 -1.140 0.000 2.297 182 c HN 1.289 nan 8.230 nan 0.000 0.507 183 A N 2.845 125.636 122.820 -0.049 0.000 2.311 183 A HA 0.788 5.108 4.320 -0.000 0.000 0.334 183 A C -0.832 176.828 177.584 0.126 0.000 1.139 183 A CA -0.628 51.430 52.037 0.035 0.000 0.830 183 A CB 0.401 19.456 19.000 0.092 0.000 1.234 183 A HN 0.927 nan 8.150 nan 0.000 0.483 184 Y N 0.537 120.948 120.300 0.184 0.000 2.426 184 Y HA 0.149 4.699 4.550 -0.000 0.000 0.344 184 Y C 1.585 177.628 175.900 0.238 0.000 1.256 184 Y CA 0.035 58.229 58.100 0.158 0.000 1.451 184 Y CB 0.615 39.140 38.460 0.108 0.000 1.342 184 Y HN 0.684 nan 8.280 nan 0.000 0.600 185 K N 0.219 120.848 120.400 0.382 0.000 2.305 185 K HA -0.060 4.260 4.320 -0.000 0.000 0.199 185 K C 0.350 177.085 176.600 0.225 0.000 1.047 185 K CA 0.142 56.624 56.287 0.326 0.000 0.976 185 K CB 0.026 32.655 32.500 0.215 0.000 0.765 185 K HN 0.453 nan 8.250 nan 0.000 0.474 186 K N 1.978 122.267 120.400 -0.186 0.000 3.123 186 K HA -0.225 4.095 4.320 -0.000 0.000 0.482 186 K C -0.311 176.142 176.600 -0.245 0.000 2.315 186 K CA 1.175 57.278 56.287 -0.308 0.000 1.724 186 K CB 0.091 32.261 32.500 -0.550 0.000 0.909 186 K HN 0.482 nan 8.250 nan 0.000 0.358 187 R N 0.901 121.339 120.500 -0.104 0.000 2.867 187 R HA 0.878 5.218 4.340 -0.000 0.000 0.268 187 R C 0.008 176.391 176.300 0.138 0.000 1.014 187 R CA -0.746 55.396 56.100 0.070 0.000 0.946 187 R CB 1.962 32.299 30.300 0.062 0.000 1.208 187 R HN 0.775 nan 8.270 nan 0.000 0.477 188 G N 0.279 109.204 108.800 0.208 0.000 2.361 188 G HA2 0.387 4.347 3.960 -0.000 0.000 0.299 188 G HA3 0.387 4.347 3.960 -0.000 0.000 0.299 188 G C -2.128 172.886 174.900 0.190 0.000 1.544 188 G CA -0.243 44.972 45.100 0.191 0.000 0.860 188 G HN 0.777 nan 8.290 nan 0.000 0.610 189 D N -1.291 119.199 120.400 0.151 0.000 2.827 189 D HA 0.685 5.325 4.640 -0.000 0.000 0.336 189 D C -0.595 175.783 176.300 0.130 0.000 1.374 189 D CA 0.452 54.543 54.000 0.151 0.000 0.794 189 D CB 1.071 41.949 40.800 0.130 0.000 1.364 189 D HN 1.206 nan 8.370 nan 0.000 0.464 190 A N 0.032 122.928 122.820 0.127 0.000 2.337 190 A HA 0.742 5.062 4.320 -0.000 0.000 0.329 190 A C -0.517 177.117 177.584 0.082 0.000 1.146 190 A CA -0.457 51.643 52.037 0.104 0.000 0.800 190 A CB 1.108 20.173 19.000 0.109 0.000 1.220 190 A HN 0.635 nan 8.150 nan 0.000 0.472 191 c N 0.236 118.885 118.600 0.083 0.000 3.205 191 c HA 0.585 5.155 4.570 -0.000 0.000 0.372 191 c C 0.416 174.557 174.090 0.085 0.000 1.892 191 c CA -0.436 55.941 56.329 0.079 0.000 1.516 191 c CB 1.116 43.670 42.510 0.072 0.000 2.371 191 c HN 0.985 nan 8.230 nan 0.000 0.468 192 E N 0.036 120.281 120.200 0.075 0.000 2.694 192 E HA 0.273 4.623 4.350 -0.000 0.000 0.250 192 E C 0.928 177.582 176.600 0.091 0.000 0.963 192 E CA 1.326 57.767 56.400 0.069 0.000 0.949 192 E CB -0.103 29.628 29.700 0.052 0.000 0.911 192 E HN 1.166 nan 8.360 nan 0.000 0.500 193 G N 4.381 113.238 108.800 0.096 0.000 2.160 193 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 193 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 193 G C 0.429 175.440 174.900 0.185 0.000 1.008 193 G CA 0.339 45.517 45.100 0.131 0.000 0.724 193 G HN 0.700 nan 8.290 nan 0.000 0.514 194 D N 0.124 120.620 120.400 0.160 0.000 2.277 194 D HA 0.116 4.756 4.640 -0.000 0.000 0.209 194 D C 1.640 178.043 176.300 0.171 0.000 0.970 194 D CA 0.692 54.785 54.000 0.156 0.000 0.874 194 D CB 0.012 40.882 40.800 0.116 0.000 0.982 194 D HN 0.350 nan 8.370 nan 0.000 0.504 195 S N -0.742 115.069 115.700 0.186 0.000 2.542 195 S HA 0.208 4.678 4.470 -0.000 0.000 0.287 195 S C 1.564 176.316 174.600 0.253 0.000 1.315 195 S CA 1.073 59.429 58.200 0.260 0.000 1.037 195 S CB 0.692 64.140 63.200 0.414 0.000 0.822 195 S HN 0.499 nan 8.310 nan 0.000 0.513 196 G N 1.904 110.825 108.800 0.202 0.000 2.377 196 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.250 196 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.250 196 G C 0.514 175.523 174.900 0.182 0.000 1.039 196 G CA 0.299 45.501 45.100 0.170 0.000 0.625 196 G HN 1.263 nan 8.290 nan 0.000 0.526 197 G N 1.730 110.646 108.800 0.194 0.000 2.484 197 G HA2 0.451 4.411 3.960 -0.000 0.000 0.235 197 G HA3 0.451 4.411 3.960 -0.000 0.000 0.235 197 G C -1.672 173.357 174.900 0.215 0.000 1.282 197 G CA 0.330 45.545 45.100 0.191 0.000 0.857 197 G HN 0.447 nan 8.290 nan 0.000 0.571 198 P HA 0.247 nan 4.420 nan 0.000 0.276 198 P C -0.869 176.605 177.300 0.290 0.000 1.244 198 P CA -0.551 62.703 63.100 0.256 0.000 0.801 198 P CB 0.972 32.825 31.700 0.256 0.000 1.006 199 F N 2.369 122.423 119.950 0.174 0.000 2.523 199 F HA 0.249 4.776 4.527 -0.000 0.000 0.322 199 F C -0.526 175.354 175.800 0.132 0.000 1.361 199 F CA -0.851 57.223 58.000 0.122 0.000 1.151 199 F CB 0.142 39.144 39.000 0.003 0.000 1.391 199 F HN -0.017 nan 8.300 nan 0.000 0.566 200 V N 2.048 122.039 119.914 0.128 0.000 2.439 200 V HA 0.557 4.677 4.120 -0.000 0.000 0.282 200 V C -0.071 176.158 176.094 0.226 0.000 1.039 200 V CA -0.649 61.756 62.300 0.175 0.000 0.913 200 V CB 1.415 33.284 31.823 0.077 0.000 0.983 200 V HN 0.672 nan 8.190 nan 0.000 0.460 201 M N 3.751 123.528 119.600 0.295 0.000 2.762 201 M HA 0.602 5.082 4.480 -0.000 0.000 0.306 201 M C -0.580 175.736 176.300 0.027 0.000 1.223 201 M CA -0.732 54.685 55.300 0.196 0.000 0.896 201 M CB 2.038 34.719 32.600 0.135 0.000 1.684 201 M HN 0.818 nan 8.290 nan 0.000 0.491 202 K N 1.361 121.558 120.400 -0.339 0.000 2.463 202 K HA 0.318 4.638 4.320 -0.000 0.000 0.255 202 K C -0.746 175.631 176.600 -0.372 0.000 0.942 202 K CA -0.315 55.552 56.287 -0.699 0.000 0.814 202 K CB 1.989 33.448 32.500 -1.735 0.000 1.122 202 K HN 0.878 nan 8.250 nan 0.000 0.425 203 S N 2.827 118.362 115.700 -0.275 0.000 2.074 203 S HA -0.103 4.367 4.470 -0.000 0.000 0.169 203 S C 0.893 175.365 174.600 -0.213 0.000 1.394 203 S CA 1.240 59.296 58.200 -0.240 0.000 1.971 203 S CB -0.306 62.709 63.200 -0.308 0.000 0.449 203 S HN 0.966 nan 8.310 nan 0.000 0.364 204 N N 1.103 119.761 118.700 -0.070 0.000 2.231 204 N HA -0.416 4.324 4.740 -0.000 0.000 0.232 204 N C 0.168 175.664 175.510 -0.024 0.000 1.357 204 N CA 1.665 54.700 53.050 -0.026 0.000 0.795 204 N CB -1.949 36.548 38.487 0.017 0.000 1.266 204 N HN 0.896 nan 8.380 nan 0.000 0.616 205 N N -3.944 114.713 118.700 -0.072 0.000 2.753 205 N HA -0.295 4.445 4.740 -0.000 0.000 0.251 205 N C -0.498 174.939 175.510 -0.121 0.000 1.097 205 N CA 1.596 54.578 53.050 -0.113 0.000 0.786 205 N CB -1.033 37.415 38.487 -0.064 0.000 1.137 205 N HN 0.411 nan 8.380 nan 0.000 0.566 206 R N -0.761 119.705 120.500 -0.056 0.000 2.583 206 R HA 0.583 4.923 4.340 -0.000 0.000 0.268 206 R C -0.472 175.759 176.300 -0.115 0.000 1.101 206 R CA -0.276 55.837 56.100 0.021 0.000 1.180 206 R CB 0.144 30.554 30.300 0.182 0.000 1.128 206 R HN 0.372 nan 8.270 nan 0.000 0.568 207 W N 0.848 122.088 121.300 -0.101 0.000 2.471 207 W HA 0.351 5.011 4.660 -0.000 0.000 0.318 207 W C -0.878 175.396 176.519 -0.408 0.000 1.034 207 W CA -0.264 56.969 57.345 -0.186 0.000 1.224 207 W CB 0.904 30.186 29.460 -0.298 0.000 1.335 207 W HN 0.324 nan 8.180 nan 0.000 0.452 208 Y N 1.995 122.302 120.300 0.013 0.000 2.328 208 Y HA 0.213 4.763 4.550 -0.000 0.000 0.337 208 Y C 0.505 176.412 175.900 0.011 0.000 0.966 208 Y CA -1.143 56.935 58.100 -0.036 0.000 1.136 208 Y CB 1.595 40.019 38.460 -0.060 0.000 1.170 208 Y HN 0.296 nan 8.280 nan 0.000 0.470 209 Q N 4.461 124.274 119.800 0.021 0.000 2.513 209 Q HA 0.078 4.418 4.340 -0.000 0.000 0.227 209 Q C 0.612 176.738 176.000 0.209 0.000 1.257 209 Q CA -0.140 55.715 55.803 0.087 0.000 0.915 209 Q CB 0.422 29.168 28.738 0.014 0.000 1.507 209 Q HN 0.811 nan 8.270 nan 0.000 0.543 210 M N 0.708 120.481 119.600 0.289 0.000 2.200 210 M HA 0.067 4.547 4.480 -0.000 0.000 0.265 210 M C 0.950 177.482 176.300 0.387 0.000 1.066 210 M CA 0.825 56.283 55.300 0.264 0.000 1.127 210 M CB -0.432 32.276 32.600 0.180 0.000 1.379 210 M HN 0.486 nan 8.290 nan 0.000 0.420 211 G N -0.687 108.412 108.800 0.498 0.000 2.818 211 G HA2 0.715 4.675 3.960 -0.000 0.000 0.286 211 G HA3 0.715 4.675 3.960 -0.000 0.000 0.286 211 G C -1.444 173.640 174.900 0.307 0.000 1.364 211 G CA -0.479 44.826 45.100 0.341 0.000 0.938 211 G HN 0.172 nan 8.290 nan 0.000 0.490 212 I N 0.447 121.146 120.570 0.214 0.000 2.571 212 I HA 0.195 4.365 4.170 -0.000 0.000 0.286 212 I C -0.267 175.906 176.117 0.093 0.000 1.134 212 I CA -0.677 60.726 61.300 0.171 0.000 1.052 212 I CB 2.397 40.452 38.000 0.091 0.000 1.237 212 I HN 0.248 nan 8.210 nan 0.000 0.435 213 V N 4.970 124.943 119.914 0.098 0.000 2.557 213 V HA 0.042 4.162 4.120 -0.000 0.000 0.301 213 V C 0.824 176.827 176.094 -0.151 0.000 1.026 213 V CA 0.728 62.945 62.300 -0.139 0.000 1.137 213 V CB 0.962 32.769 31.823 -0.027 0.000 0.917 213 V HN 0.938 nan 8.190 nan 0.000 0.484 214 S N 4.339 119.910 115.700 -0.216 0.000 3.186 214 S HA 0.306 4.776 4.470 -0.000 0.000 0.253 214 S C 0.005 174.795 174.600 0.318 0.000 1.071 214 S CA -0.001 58.163 58.200 -0.059 0.000 0.796 214 S CB 0.512 63.726 63.200 0.022 0.000 0.818 214 S HN 0.909 nan 8.310 nan 0.000 0.498 215 W N -0.057 121.232 121.300 -0.018 0.000 2.923 215 W HA 0.636 5.296 4.660 -0.000 0.000 0.373 215 W C -0.548 175.989 176.519 0.030 0.000 1.205 215 W CA -0.559 56.810 57.345 0.040 0.000 1.180 215 W CB 0.393 29.877 29.460 0.041 0.000 1.477 215 W HN 0.480 nan 8.180 nan 0.000 0.581 216 G N 0.315 109.443 108.800 0.547 0.000 2.466 216 G HA2 0.448 4.408 3.960 -0.000 0.000 0.291 216 G HA3 0.448 4.408 3.960 -0.000 0.000 0.291 216 G C -2.096 172.997 174.900 0.322 0.000 1.460 216 G CA -0.876 44.442 45.100 0.363 0.000 0.791 216 G HN 0.520 nan 8.290 nan 0.000 0.505 220 c N 0.334 118.969 118.600 0.058 0.000 3.367 220 c HA 0.712 5.282 4.570 -0.000 0.000 0.314 220 c C -0.204 173.920 174.090 0.056 0.000 2.460 220 c CA -0.425 55.941 56.329 0.061 0.000 1.352 220 c CB -0.659 41.887 42.510 0.060 0.000 2.457 220 c HN 0.851 nan 8.230 nan 0.000 0.531 221 R N 0.679 121.191 120.500 0.020 0.000 2.868 221 R HA 0.284 4.624 4.340 -0.000 0.000 0.262 221 R C -2.156 174.134 176.300 -0.015 0.000 1.163 221 R CA -0.209 55.891 56.100 -0.000 0.000 1.105 221 R CB 0.502 30.790 30.300 -0.020 0.000 1.270 221 R HN 0.122 nan 8.270 nan 0.000 0.437 222 D N 3.407 123.809 120.400 0.004 0.000 2.368 222 D HA 0.291 4.931 4.640 -0.000 0.000 0.268 222 D C 1.121 177.408 176.300 -0.022 0.000 1.298 222 D CA 1.804 55.810 54.000 0.011 0.000 0.938 222 D CB 1.253 42.068 40.800 0.026 0.000 1.101 222 D HN 0.844 nan 8.370 nan 0.000 0.509 223 G N 1.811 110.558 108.800 -0.089 0.000 2.672 223 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.197 223 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.197 223 G C 0.344 175.007 174.900 -0.396 0.000 0.995 223 G CA -0.445 44.575 45.100 -0.133 0.000 0.754 223 G HN 0.456 nan 8.290 nan 0.000 0.505 224 K N -0.306 119.746 120.400 -0.580 0.000 2.509 224 K HA 0.686 5.006 4.320 -0.000 0.000 0.266 224 K C -1.654 174.440 176.600 -0.843 0.000 0.987 224 K CA -0.767 55.038 56.287 -0.804 0.000 0.868 224 K CB 1.915 34.301 32.500 -0.190 0.000 1.421 224 K HN 0.065 nan 8.250 nan 0.000 0.444 225 Y N -0.901 119.513 120.300 0.190 0.000 2.425 225 Y HA 0.402 4.952 4.550 -0.000 0.000 0.344 225 Y C 0.805 176.777 175.900 0.120 0.000 0.969 225 Y CA -0.957 57.200 58.100 0.096 0.000 1.052 225 Y CB 1.503 39.934 38.460 -0.047 0.000 1.215 225 Y HN 0.721 nan 8.280 nan 0.000 0.451 226 G N 1.184 110.086 108.800 0.169 0.000 2.750 226 G HA2 0.284 4.244 3.960 -0.000 0.000 0.250 226 G HA3 0.284 4.244 3.960 -0.000 0.000 0.250 226 G C -1.438 173.329 174.900 -0.221 0.000 1.230 226 G CA -0.055 45.065 45.100 0.034 0.000 0.883 226 G HN 0.384 nan 8.290 nan 0.000 0.573 227 F N -0.539 119.000 119.950 -0.685 0.000 2.562 227 F HA 0.476 5.003 4.527 -0.000 0.000 0.319 227 F C -0.740 174.574 175.800 -0.811 0.000 1.154 227 F CA -0.666 56.838 58.000 -0.827 0.000 0.931 227 F CB 1.928 39.893 39.000 -1.724 0.000 1.198 227 F HN 0.303 nan 8.300 nan 0.000 0.444 228 Y N -0.067 119.775 120.300 -0.763 0.000 2.587 228 Y HA 0.630 5.180 4.550 -0.000 0.000 0.337 228 Y C 0.374 175.847 175.900 -0.712 0.000 1.065 228 Y CA -1.537 56.074 58.100 -0.813 0.000 1.126 228 Y CB 1.296 38.989 38.460 -1.279 0.000 1.279 228 Y HN 0.391 nan 8.280 nan 0.000 0.489 229 T N 0.526 114.928 114.554 -0.254 0.000 2.889 229 T HA 0.063 4.413 4.350 -0.000 0.000 0.291 229 T C -0.184 174.533 174.700 0.028 0.000 0.995 229 T CA -0.553 61.495 62.100 -0.088 0.000 1.092 229 T CB 0.269 69.123 68.868 -0.024 0.000 0.954 229 T HN 0.487 nan 8.240 nan 0.000 0.506 230 H N 3.219 122.370 119.070 0.134 0.000 3.513 230 H HA 0.091 4.647 4.556 -0.000 0.000 0.253 230 H C 1.160 176.600 175.328 0.187 0.000 1.514 230 H CA -0.421 55.776 56.048 0.248 0.000 1.565 230 H CB -0.447 29.411 29.762 0.159 0.000 1.776 230 H HN 0.413 nan 8.280 nan 0.000 0.562 231 V N 4.407 124.511 119.914 0.316 0.000 2.527 231 V HA -0.305 3.815 4.120 -0.000 0.000 0.255 231 V C 2.078 178.355 176.094 0.305 0.000 1.081 231 V CA 1.807 64.270 62.300 0.272 0.000 1.092 231 V CB -0.815 31.160 31.823 0.254 0.000 0.673 231 V HN 0.495 nan 8.190 nan 0.000 0.470 232 F N 0.501 120.613 119.950 0.270 0.000 2.220 232 F HA 0.077 4.604 4.527 -0.000 0.000 0.290 232 F C 2.513 178.381 175.800 0.112 0.000 1.080 232 F CA 1.290 59.404 58.000 0.191 0.000 1.318 232 F CB -0.361 38.748 39.000 0.180 0.000 1.063 232 F HN -0.148 nan 8.300 nan 0.000 0.498 233 R N 0.407 120.866 120.500 -0.069 0.000 2.136 233 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 233 R C 1.803 177.967 176.300 -0.227 0.000 1.131 233 R CA 2.303 58.203 56.100 -0.334 0.000 0.937 233 R CB -0.891 29.195 30.300 -0.356 0.000 0.863 233 R HN 0.335 nan 8.270 nan 0.000 0.435 234 L N 1.164 122.341 121.223 -0.076 0.000 2.682 234 L HA 0.028 4.368 4.340 -0.000 0.000 0.240 234 L C 1.764 178.661 176.870 0.045 0.000 1.178 234 L CA 0.133 54.952 54.840 -0.035 0.000 0.970 234 L CB -0.036 41.981 42.059 -0.071 0.000 1.179 234 L HN 0.107 nan 8.230 nan 0.000 0.435 235 K N 0.673 121.029 120.400 -0.073 0.000 2.365 235 K HA -0.094 4.226 4.320 -0.000 0.000 0.199 235 K C 1.701 178.274 176.600 -0.044 0.000 1.045 235 K CA 0.867 57.136 56.287 -0.031 0.000 0.962 235 K CB 0.178 32.654 32.500 -0.041 0.000 0.759 235 K HN 0.238 nan 8.250 nan 0.000 0.469 236 K N -0.113 120.247 120.400 -0.066 0.000 1.977 236 K HA -0.218 4.102 4.320 -0.000 0.000 0.218 236 K C 1.933 178.559 176.600 0.044 0.000 1.051 236 K CA 1.894 58.166 56.287 -0.025 0.000 0.953 236 K CB -0.833 31.669 32.500 0.003 0.000 0.727 236 K HN 0.256 nan 8.250 nan 0.000 0.445 237 W N 2.525 123.825 121.300 0.000 0.000 2.311 237 W HA -0.217 4.443 4.660 -0.000 0.000 0.326 237 W C 1.825 178.363 176.519 0.032 0.000 1.239 237 W CA 1.568 58.958 57.345 0.075 0.000 1.258 237 W CB -0.583 29.015 29.460 0.230 0.000 1.165 237 W HN 0.012 nan 8.180 nan 0.000 0.466 238 I N 0.412 120.955 120.570 -0.045 0.000 2.244 238 I HA -0.505 3.665 4.170 -0.000 0.000 0.252 238 I C 2.536 178.365 176.117 -0.480 0.000 1.062 238 I CA 2.208 63.332 61.300 -0.293 0.000 1.342 238 I CB -0.873 37.119 38.000 -0.013 0.000 1.031 238 I HN 0.353 nan 8.210 nan 0.000 0.433 239 Q N 0.439 120.034 119.800 -0.342 0.000 1.994 239 Q HA -0.247 4.093 4.340 -0.000 0.000 0.198 239 Q C 2.250 178.007 176.000 -0.406 0.000 0.976 239 Q CA 1.699 57.311 55.803 -0.319 0.000 0.828 239 Q CB -0.029 28.596 28.738 -0.188 0.000 0.894 239 Q HN 0.309 nan 8.270 nan 0.000 0.432 240 K N 0.017 120.189 120.400 -0.381 0.000 2.059 240 K HA -0.203 4.117 4.320 -0.000 0.000 0.212 240 K C 1.882 178.206 176.600 -0.460 0.000 1.050 240 K CA 1.721 57.794 56.287 -0.356 0.000 0.927 240 K CB -0.394 31.948 32.500 -0.263 0.000 0.714 240 K HN 0.227 nan 8.250 nan 0.000 0.447 241 V N 0.074 119.626 119.914 -0.604 0.000 2.871 241 V HA -0.057 4.063 4.120 -0.000 0.000 0.256 241 V C 1.726 177.540 176.094 -0.467 0.000 1.082 241 V CA 1.227 63.243 62.300 -0.473 0.000 1.105 241 V CB -0.239 31.240 31.823 -0.573 0.000 0.713 241 V HN 0.356 nan 8.190 nan 0.000 0.473 242 I N 1.820 121.940 120.570 -0.749 0.000 2.333 242 I HA -0.080 4.090 4.170 -0.000 0.000 0.246 242 I C 1.958 177.773 176.117 -0.504 0.000 1.106 242 I CA 1.812 62.516 61.300 -0.992 0.000 1.411 242 I CB -0.426 36.987 38.000 -0.978 0.000 1.082 242 I HN 0.535 nan 8.210 nan 0.000 0.420 243 D N -0.373 119.772 120.400 -0.425 0.000 2.319 243 D HA -0.150 4.490 4.640 -0.000 0.000 0.230 243 D C 1.573 177.679 176.300 -0.322 0.000 1.094 243 D CA 0.285 54.106 54.000 -0.299 0.000 0.856 243 D CB 0.018 40.668 40.800 -0.249 0.000 0.915 243 D HN 0.375 nan 8.370 nan 0.000 0.517 244 Q N -1.023 118.502 119.800 -0.458 0.000 2.143 244 Q HA 0.192 4.532 4.340 -0.000 0.000 0.242 244 Q C -0.437 175.049 176.000 -0.856 0.000 0.790 244 Q CA -0.040 55.330 55.803 -0.723 0.000 0.954 244 Q CB 0.517 28.646 28.738 -1.015 0.000 1.155 244 Q HN 0.228 nan 8.270 nan 0.000 0.474 245 F N -0.873 119.104 119.950 0.046 0.000 2.802 245 F HA 0.564 5.090 4.527 -0.000 0.000 0.346 245 F C 0.321 176.324 175.800 0.338 0.000 1.229 245 F CA -0.143 57.975 58.000 0.196 0.000 1.142 245 F CB 1.525 40.690 39.000 0.275 0.000 1.146 245 F HN 0.046 nan 8.300 nan 0.000 0.510 246 G N 0.000 109.012 108.800 0.353 0.000 5.446 246 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 246 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 246 G CA 0.000 45.345 45.100 0.409 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925