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 3edx_1_F DATA FIRST_RESID 16 DATA SEQUENCE IVEGWDAEKG IAPWQVMLFR SPQELLcGAS LISDRWVLTA AHcITENDLL DATA SEQUENCE VRIGKHSRTR YRNVEKISML EKIYVHPRYN WENLDRDIAL LKLKKPVPFS DATA SEQUENCE DYIHPVCLPD KQTLLRAGYK GRVTGWGNLR ETWEIQPSVL QVVNLPIVER DATA SEQUENCE PVcKASTRIR ITDNMFcAFK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSA DATA SEQUENCE GAXGcRKGKY GFYTHVFRLK RWIQKVIDQF 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 0.000 176.101 176.117 -0.027 0.000 1.063 16 I CA 0.000 61.272 61.300 -0.048 0.000 1.566 16 I CB 0.000 37.930 38.000 -0.117 0.000 1.214 17 V N 5.644 125.560 119.914 0.004 0.000 2.532 17 V HA 0.418 4.538 4.120 -0.000 0.000 0.295 17 V C 0.574 176.705 176.094 0.061 0.000 1.041 17 V CA -0.271 62.047 62.300 0.030 0.000 0.926 17 V CB 1.512 33.358 31.823 0.040 0.000 0.992 17 V HN 0.876 nan 8.190 nan 0.000 0.457 18 E N 1.232 121.479 120.200 0.078 0.000 2.722 18 E HA -0.193 4.157 4.350 -0.000 0.000 0.265 18 E C 0.565 177.272 176.600 0.180 0.000 1.081 18 E CA 1.072 57.550 56.400 0.130 0.000 0.781 18 E CB -1.373 28.411 29.700 0.140 0.000 1.372 18 E HN 0.989 nan 8.360 nan 0.000 0.423 19 G N -0.655 108.184 108.800 0.065 0.000 2.641 19 G HA2 0.614 4.574 3.960 -0.000 0.000 0.239 19 G HA3 0.614 4.574 3.960 -0.000 0.000 0.239 19 G C -0.234 174.739 174.900 0.121 0.000 1.402 19 G CA 0.002 45.021 45.100 -0.135 0.000 1.046 19 G HN 0.224 nan 8.290 nan 0.000 0.565 20 W N -2.383 118.924 121.300 0.011 0.000 3.059 20 W HA 0.533 5.193 4.660 0.001 0.000 0.329 20 W C -1.875 174.638 176.519 -0.010 0.000 1.246 20 W CA -1.344 56.005 57.345 0.006 0.000 1.190 20 W CB 0.190 29.660 29.460 0.015 0.000 1.423 20 W HN 0.392 nan 8.180 nan 0.000 0.571 21 D N 1.977 122.521 120.400 0.240 0.000 2.487 21 D HA 0.372 5.012 4.640 -0.000 0.000 0.243 21 D C 0.470 176.877 176.300 0.178 0.000 1.154 21 D CA 0.890 54.971 54.000 0.136 0.000 0.876 21 D CB 0.886 41.778 40.800 0.153 0.000 1.161 21 D HN 0.721 nan 8.370 nan 0.000 0.478 22 A N 3.299 126.147 122.820 0.046 0.000 2.425 22 A HA 0.194 4.514 4.320 -0.000 0.000 0.249 22 A C 0.469 178.190 177.584 0.228 0.000 1.084 22 A CA -0.427 51.654 52.037 0.073 0.000 0.781 22 A CB 0.301 19.263 19.000 -0.064 0.000 1.019 22 A HN 0.560 nan 8.150 nan 0.000 0.490 23 E N 1.205 121.494 120.200 0.149 0.000 2.373 23 E HA 0.176 4.526 4.350 -0.000 0.000 0.263 23 E C -0.421 176.216 176.600 0.063 0.000 1.073 23 E CA -0.406 56.056 56.400 0.103 0.000 0.894 23 E CB 0.699 30.430 29.700 0.052 0.000 1.008 23 E HN 0.543 nan 8.360 nan 0.000 0.420 24 K N 0.566 120.943 120.400 -0.039 0.000 2.489 24 K HA 0.053 4.373 4.320 -0.000 0.000 0.278 24 K C 0.869 177.473 176.600 0.006 0.000 1.000 24 K CA 0.883 57.139 56.287 -0.052 0.000 1.012 24 K CB 0.314 32.770 32.500 -0.073 0.000 0.903 24 K HN 0.838 nan 8.250 nan 0.000 0.485 25 G N 2.785 111.606 108.800 0.034 0.000 2.168 25 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 25 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 25 G C 0.682 175.405 174.900 -0.294 0.000 0.977 25 G CA 0.478 45.488 45.100 -0.150 0.000 0.659 25 G HN 0.744 nan 8.290 nan 0.000 0.533 26 I N 0.083 120.503 120.570 -0.249 0.000 2.493 26 I HA 0.313 4.483 4.170 -0.000 0.000 0.254 26 I C 1.702 177.433 176.117 -0.643 0.000 1.160 26 I CA 1.705 62.803 61.300 -0.338 0.000 1.445 26 I CB -0.015 37.874 38.000 -0.185 0.000 1.086 26 I HN 0.513 nan 8.210 nan 0.000 0.433 27 A N 1.054 123.440 122.820 -0.724 0.000 3.355 27 A HA 0.418 4.738 4.320 -0.000 0.000 0.290 27 A C -1.669 175.180 177.584 -1.225 0.000 0.973 27 A CA -0.793 50.502 52.037 -1.237 0.000 0.933 27 A CB -0.280 18.326 19.000 -0.658 0.000 1.138 27 A HN 0.148 nan 8.150 nan 0.000 0.490 28 P HA -0.164 nan 4.420 nan 0.000 0.227 28 P C 0.566 177.665 177.300 -0.336 0.000 1.145 28 P CA 1.128 63.894 63.100 -0.556 0.000 0.769 28 P CB -0.262 31.187 31.700 -0.418 0.000 0.769 29 W N -1.093 120.180 121.300 -0.045 0.000 3.278 29 W HA 0.424 5.084 4.660 -0.001 0.000 0.308 29 W C 0.589 177.115 176.519 0.012 0.000 1.253 29 W CA -0.738 56.594 57.345 -0.022 0.000 1.759 29 W CB -1.452 27.986 29.460 -0.036 0.000 1.093 29 W HN -0.175 nan 8.180 nan 0.000 0.648 30 Q N 2.320 122.125 119.800 0.009 0.000 2.274 30 Q HA 0.296 4.636 4.340 -0.000 0.000 0.280 30 Q C -0.744 175.365 176.000 0.181 0.000 1.047 30 Q CA 0.268 56.120 55.803 0.081 0.000 0.907 30 Q CB 0.854 29.518 28.738 -0.123 0.000 1.171 30 Q HN 0.122 nan 8.270 nan 0.000 0.381 31 V N 5.649 125.705 119.914 0.237 0.000 2.769 31 V HA 0.447 4.567 4.120 -0.000 0.000 0.312 31 V C -0.351 175.972 176.094 0.381 0.000 1.061 31 V CA -0.882 61.582 62.300 0.273 0.000 0.931 31 V CB 1.956 33.907 31.823 0.214 0.000 1.010 31 V HN 0.931 nan 8.190 nan 0.000 0.433 32 M N 4.804 124.615 119.600 0.351 0.000 2.066 32 M HA 0.502 4.982 4.480 -0.000 0.000 0.340 32 M C -1.476 174.947 176.300 0.204 0.000 1.053 32 M CA -0.867 54.623 55.300 0.316 0.000 0.983 32 M CB 1.050 33.630 32.600 -0.034 0.000 1.520 32 M HN 0.571 nan 8.290 nan 0.000 0.428 33 L N 6.344 127.686 121.223 0.198 0.000 2.315 33 L HA 0.403 4.743 4.340 -0.000 0.000 0.283 33 L C -1.746 175.225 176.870 0.168 0.000 1.089 33 L CA 0.558 55.488 54.840 0.151 0.000 0.833 33 L CB 0.290 42.410 42.059 0.100 0.000 1.170 33 L HN 0.649 nan 8.230 nan 0.000 0.442 34 F N 5.175 125.121 119.950 -0.007 0.000 2.482 34 F HA 0.534 5.062 4.527 0.001 0.000 0.331 34 F C 0.561 176.347 175.800 -0.024 0.000 1.115 34 F CA -0.639 57.342 58.000 -0.030 0.000 0.955 34 F CB 1.046 40.017 39.000 -0.050 0.000 1.136 34 F HN 0.585 nan 8.300 nan 0.000 0.452 35 R N 1.855 122.162 120.500 -0.322 0.000 2.811 35 R HA 0.305 4.644 4.340 -0.000 0.000 0.237 35 R C -0.334 175.920 176.300 -0.076 0.000 1.231 35 R CA -0.404 55.586 56.100 -0.183 0.000 1.070 35 R CB 0.588 30.743 30.300 -0.243 0.000 1.126 35 R HN 0.619 nan 8.270 nan 0.000 0.540 36 S N 1.478 117.171 115.700 -0.013 0.000 2.455 36 S HA 0.218 4.687 4.470 -0.000 0.000 0.278 36 S C -1.940 172.634 174.600 -0.044 0.000 1.216 36 S CA -1.465 56.721 58.200 -0.023 0.000 1.055 36 S CB 0.404 63.599 63.200 -0.008 0.000 0.939 36 S HN 0.378 nan 8.310 nan 0.000 0.494 37 P HA 0.126 nan 4.420 nan 0.000 0.271 37 P C -0.874 176.355 177.300 -0.117 0.000 1.218 37 P CA -0.434 62.627 63.100 -0.065 0.000 0.780 37 P CB 0.440 32.101 31.700 -0.065 0.000 0.901 38 Q N 1.795 121.545 119.800 -0.083 0.000 2.289 38 Q HA 0.164 4.504 4.340 -0.000 0.000 0.273 38 Q C 0.249 176.003 176.000 -0.410 0.000 1.029 38 Q CA 0.549 56.261 55.803 -0.151 0.000 0.896 38 Q CB 0.313 29.149 28.738 0.164 0.000 1.182 38 Q HN 0.544 nan 8.270 nan 0.000 0.385 39 E N 1.052 120.651 120.200 -1.001 0.000 2.472 39 E HA 0.147 4.497 4.350 -0.000 0.000 0.290 39 E C -1.468 174.615 176.600 -0.861 0.000 1.059 39 E CA -0.936 55.022 56.400 -0.737 0.000 0.861 39 E CB 0.339 29.830 29.700 -0.348 0.000 1.213 39 E HN 0.382 nan 8.360 nan 0.000 0.425 40 L N 3.585 124.529 121.223 -0.466 0.000 2.584 40 L HA 0.106 4.446 4.340 -0.000 0.000 0.272 40 L C -0.160 176.617 176.870 -0.155 0.000 1.195 40 L CA 0.424 55.145 54.840 -0.198 0.000 0.920 40 L CB 0.475 42.510 42.059 -0.040 0.000 1.173 40 L HN 0.897 nan 8.230 nan 0.000 0.489 41 L N 4.129 125.292 121.223 -0.101 0.000 2.262 41 L HA 0.252 4.592 4.340 -0.000 0.000 0.197 41 L C 0.328 177.197 176.870 -0.002 0.000 1.073 41 L CA 0.477 55.278 54.840 -0.066 0.000 0.800 41 L CB 0.514 42.533 42.059 -0.067 0.000 0.987 41 L HN 0.787 nan 8.230 nan 0.000 0.470 42 c N -2.050 116.578 118.600 0.045 0.000 3.293 42 c HA 0.665 5.234 4.570 -0.000 0.000 0.362 42 c C 0.299 174.478 174.090 0.149 0.000 1.539 42 c CA -0.604 55.766 56.329 0.068 0.000 1.201 42 c CB 0.977 43.490 42.510 0.005 0.000 1.770 42 c HN 0.491 nan 8.230 nan 0.000 0.440 43 G N -0.279 108.603 108.800 0.137 0.000 2.552 43 G HA2 0.917 4.877 3.960 -0.000 0.000 0.324 43 G HA3 0.917 4.877 3.960 -0.000 0.000 0.324 43 G C -0.905 174.083 174.900 0.147 0.000 1.217 43 G CA 0.320 45.529 45.100 0.182 0.000 0.989 43 G HN 1.658 nan 8.290 nan 0.000 0.490 44 A N -0.848 122.074 122.820 0.170 0.000 2.515 44 A HA 0.833 5.153 4.320 -0.000 0.000 0.292 44 A C -0.465 177.233 177.584 0.189 0.000 1.065 44 A CA 0.162 52.296 52.037 0.162 0.000 0.641 44 A CB 0.919 20.014 19.000 0.159 0.000 1.306 44 A HN 2.138 nan 8.150 nan 0.000 0.441 45 S N -0.645 115.171 115.700 0.193 0.000 2.569 45 S HA 0.723 5.193 4.470 -0.000 0.000 0.280 45 S C -1.241 173.487 174.600 0.213 0.000 1.111 45 S CA -0.596 57.735 58.200 0.219 0.000 0.887 45 S CB 1.498 64.813 63.200 0.192 0.000 1.095 45 S HN 1.796 nan 8.310 nan 0.000 0.476 46 L N 2.928 124.290 121.223 0.232 0.000 2.265 46 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 46 L C 0.552 177.521 176.870 0.164 0.000 1.058 46 L CA -0.461 54.502 54.840 0.205 0.000 0.809 46 L CB 0.554 42.725 42.059 0.188 0.000 1.179 46 L HN 0.864 nan 8.230 nan 0.000 0.429 47 I N 1.068 121.742 120.570 0.174 0.000 4.057 47 I HA 0.376 4.546 4.170 -0.000 0.000 0.334 47 I C 0.475 176.672 176.117 0.133 0.000 1.308 47 I CA 0.324 61.696 61.300 0.120 0.000 1.125 47 I CB 0.019 38.090 38.000 0.119 0.000 1.034 47 I HN 0.609 nan 8.210 nan 0.000 0.401 48 S N 0.736 116.562 115.700 0.211 0.000 2.755 48 S HA 0.183 4.653 4.470 -0.000 0.000 0.286 48 S C -0.239 174.587 174.600 0.377 0.000 1.207 48 S CA 0.053 58.420 58.200 0.278 0.000 0.892 48 S CB 0.829 64.233 63.200 0.340 0.000 1.240 48 S HN 0.301 nan 8.310 nan 0.000 0.525 49 D N -0.382 120.279 120.400 0.435 0.000 2.339 49 D HA 0.187 4.827 4.640 -0.000 0.000 0.217 49 D C 1.076 177.456 176.300 0.133 0.000 1.050 49 D CA 0.021 54.227 54.000 0.343 0.000 0.856 49 D CB -0.072 40.722 40.800 -0.009 0.000 0.922 49 D HN 0.494 nan 8.370 nan 0.000 0.518 50 R N -1.406 119.159 120.500 0.108 0.000 2.513 50 R HA 0.178 4.518 4.340 -0.000 0.000 0.245 50 R C -0.367 175.794 176.300 -0.232 0.000 0.908 50 R CA -0.158 55.873 56.100 -0.116 0.000 1.023 50 R CB 0.630 30.796 30.300 -0.224 0.000 1.338 50 R HN 0.052 nan 8.270 nan 0.000 0.575 51 W N 0.852 122.229 121.300 0.128 0.000 2.632 51 W HA 0.525 5.184 4.660 -0.001 0.000 0.328 51 W C -0.493 176.101 176.519 0.125 0.000 1.044 51 W CA -0.699 56.720 57.345 0.124 0.000 1.225 51 W CB 1.774 31.300 29.460 0.110 0.000 1.396 51 W HN -0.365 nan 8.180 nan 0.000 0.499 52 V N 4.320 124.486 119.914 0.420 0.000 2.735 52 V HA 0.459 4.579 4.120 -0.000 0.000 0.310 52 V C -1.083 175.190 176.094 0.298 0.000 1.061 52 V CA -1.064 61.413 62.300 0.296 0.000 0.913 52 V CB 1.869 33.825 31.823 0.220 0.000 1.005 52 V HN 0.298 nan 8.190 nan 0.000 0.428 53 L N 3.995 125.361 121.223 0.238 0.000 2.322 53 L HA 0.839 5.178 4.340 -0.000 0.000 0.281 53 L C -0.006 176.972 176.870 0.179 0.000 1.014 53 L CA 0.869 55.839 54.840 0.218 0.000 0.815 53 L CB 1.768 43.943 42.059 0.193 0.000 1.247 53 L HN 0.861 nan 8.230 nan 0.000 0.421 54 T N 2.635 117.284 114.554 0.158 0.000 2.618 54 T HA 0.858 5.208 4.350 -0.000 0.000 0.286 54 T C -1.298 173.424 174.700 0.037 0.000 1.027 54 T CA -0.006 62.151 62.100 0.094 0.000 1.063 54 T CB 1.296 70.207 68.868 0.072 0.000 1.440 54 T HN 0.749 nan 8.240 nan 0.000 0.505 55 A N 0.332 123.116 122.820 -0.060 0.000 2.306 55 A HA 0.756 5.076 4.320 -0.000 0.000 0.314 55 A C 1.329 178.752 177.584 -0.267 0.000 1.164 55 A CA 0.204 52.142 52.037 -0.165 0.000 0.822 55 A CB 0.550 19.388 19.000 -0.271 0.000 1.130 55 A HN 1.087 nan 8.150 nan 0.000 0.496 56 A N 1.170 123.775 122.820 -0.358 0.000 1.873 56 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 56 A C 1.823 179.114 177.584 -0.488 0.000 1.186 56 A CA 1.772 53.483 52.037 -0.543 0.000 0.616 56 A CB -1.102 17.221 19.000 -1.129 0.000 0.823 56 A HN 1.118 nan 8.150 nan 0.000 0.442 57 H N -1.635 117.205 119.070 -0.382 0.000 2.543 57 H HA -0.092 4.463 4.556 -0.001 0.000 0.286 57 H C 1.827 177.145 175.328 -0.017 0.000 1.037 57 H CA 1.405 57.441 56.048 -0.020 0.000 1.250 57 H CB -0.734 29.108 29.762 0.132 0.000 1.373 57 H HN 0.410 nan 8.280 nan 0.000 0.580 58 c N 0.709 118.994 118.600 -0.526 0.000 2.464 58 c HA 0.152 4.722 4.570 -0.000 0.000 0.278 58 c C 1.337 175.347 174.090 -0.133 0.000 1.375 58 c CA -0.304 55.833 56.329 -0.320 0.000 1.761 58 c CB -0.710 41.615 42.510 -0.308 0.000 1.944 58 c HN 0.315 nan 8.230 nan 0.000 0.509 59 I N 0.606 121.107 120.570 -0.115 0.000 2.918 59 I HA 0.302 4.472 4.170 -0.000 0.000 0.316 59 I C 1.017 177.116 176.117 -0.030 0.000 1.001 59 I CA 0.374 61.641 61.300 -0.055 0.000 1.142 59 I CB 1.073 39.053 38.000 -0.035 0.000 1.356 59 I HN 0.188 nan 8.210 nan 0.000 0.524 60 T N -0.583 113.958 114.554 -0.023 0.000 2.922 60 T HA 0.405 4.755 4.350 -0.000 0.000 0.281 60 T C 0.864 175.548 174.700 -0.027 0.000 1.005 60 T CA -0.472 61.612 62.100 -0.026 0.000 0.982 60 T CB 0.860 69.713 68.868 -0.025 0.000 1.158 60 T HN 0.432 nan 8.240 nan 0.000 0.566 61 E N 0.875 121.052 120.200 -0.037 0.000 2.114 61 E HA -0.164 4.186 4.350 -0.000 0.000 0.199 61 E C 1.807 178.394 176.600 -0.022 0.000 1.008 61 E CA 2.106 58.484 56.400 -0.037 0.000 0.810 61 E CB -0.719 28.950 29.700 -0.052 0.000 0.739 61 E HN 0.757 nan 8.360 nan 0.000 0.456 62 N N 0.421 119.109 118.700 -0.020 0.000 2.446 62 N HA -0.052 4.688 4.740 -0.000 0.000 0.179 62 N C 0.779 176.285 175.510 -0.005 0.000 1.054 62 N CA 0.865 53.907 53.050 -0.013 0.000 0.905 62 N CB 0.147 38.625 38.487 -0.014 0.000 0.973 62 N HN 0.111 nan 8.380 nan 0.000 0.448 63 D N 0.264 120.659 120.400 -0.008 0.000 2.219 63 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 63 D C 0.385 176.688 176.300 0.005 0.000 0.970 63 D CA 0.929 54.924 54.000 -0.007 0.000 0.851 63 D CB 0.097 40.886 40.800 -0.017 0.000 0.943 63 D HN 0.259 nan 8.370 nan 0.000 0.488 64 L N -1.584 119.648 121.223 0.015 0.000 2.322 64 L HA 0.637 4.977 4.340 -0.000 0.000 0.252 64 L C -0.950 175.955 176.870 0.060 0.000 1.055 64 L CA -1.594 53.273 54.840 0.044 0.000 0.849 64 L CB 0.814 42.893 42.059 0.034 0.000 1.446 64 L HN -0.197 nan 8.230 nan 0.000 0.416 65 L N -0.993 120.291 121.223 0.102 0.000 2.409 65 L HA 1.017 5.357 4.340 -0.000 0.000 0.255 65 L C -0.525 176.405 176.870 0.101 0.000 1.027 65 L CA -1.086 53.804 54.840 0.082 0.000 0.834 65 L CB 1.618 43.717 42.059 0.066 0.000 1.426 65 L HN 0.722 nan 8.230 nan 0.000 0.411 66 V N -0.924 119.032 119.914 0.069 0.000 2.513 66 V HA 0.743 4.863 4.120 -0.000 0.000 0.299 66 V C -0.441 175.679 176.094 0.044 0.000 1.035 66 V CA -0.616 61.732 62.300 0.080 0.000 0.889 66 V CB 1.515 33.393 31.823 0.091 0.000 0.988 66 V HN 0.840 nan 8.190 nan 0.000 0.440 67 R N 5.461 125.981 120.500 0.033 0.000 2.265 67 R HA 0.664 5.004 4.340 -0.000 0.000 0.328 67 R C -0.991 175.332 176.300 0.040 0.000 0.969 67 R CA -0.458 55.627 56.100 -0.025 0.000 0.832 67 R CB 1.831 32.044 30.300 -0.145 0.000 1.139 67 R HN 0.789 nan 8.270 nan 0.000 0.457 68 I N 0.225 120.820 120.570 0.043 0.000 2.493 68 I HA 0.344 4.513 4.170 -0.000 0.000 0.298 68 I C 1.079 177.235 176.117 0.065 0.000 0.998 68 I CA -0.502 60.851 61.300 0.088 0.000 1.137 68 I CB 1.997 40.061 38.000 0.107 0.000 1.310 68 I HN 0.872 nan 8.210 nan 0.000 0.445 69 G N 3.610 112.470 108.800 0.100 0.000 2.157 69 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 69 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 69 G C 0.206 175.147 174.900 0.068 0.000 0.979 69 G CA -0.312 44.843 45.100 0.092 0.000 0.650 69 G HN 0.607 nan 8.290 nan 0.000 0.529 70 K N -1.018 119.452 120.400 0.117 0.000 2.168 70 K HA 0.529 4.849 4.320 -0.000 0.000 0.258 70 K C 0.795 177.596 176.600 0.335 0.000 1.010 70 K CA 0.099 56.465 56.287 0.131 0.000 0.929 70 K CB 0.965 33.468 32.500 0.005 0.000 0.998 70 K HN 0.401 nan 8.250 nan 0.000 0.479 71 H N -0.369 118.799 119.070 0.163 0.000 2.010 71 H HA 0.099 4.655 4.556 0.000 0.000 0.175 71 H C 0.058 175.551 175.328 0.275 0.000 0.966 71 H CA 0.187 56.357 56.048 0.204 0.000 1.080 71 H CB 0.197 29.992 29.762 0.055 0.000 1.072 71 H HN 0.492 nan 8.280 nan 0.000 0.373 72 S N 0.893 116.694 115.700 0.169 0.000 2.560 72 S HA 0.004 4.474 4.470 -0.000 0.000 0.284 72 S C 1.463 176.023 174.600 -0.067 0.000 1.327 72 S CA -0.036 58.197 58.200 0.057 0.000 1.055 72 S CB 0.579 63.806 63.200 0.046 0.000 0.868 72 S HN 0.534 nan 8.310 nan 0.000 0.506 73 R N 1.713 122.158 120.500 -0.092 0.000 2.092 73 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 73 R C 1.741 177.877 176.300 -0.273 0.000 1.119 73 R CA 2.025 57.924 56.100 -0.335 0.000 0.970 73 R CB -0.371 29.865 30.300 -0.106 0.000 0.864 73 R HN 0.895 nan 8.270 nan 0.000 0.440 74 T N -3.191 111.289 114.554 -0.123 0.000 2.987 74 T HA 0.162 4.512 4.350 -0.000 0.000 0.248 74 T C 0.907 175.580 174.700 -0.046 0.000 0.997 74 T CA -0.481 61.579 62.100 -0.067 0.000 1.013 74 T CB -0.036 68.821 68.868 -0.018 0.000 1.077 74 T HN 0.034 nan 8.240 nan 0.000 0.483 75 R N 0.966 121.447 120.500 -0.032 0.000 2.489 75 R HA 0.248 4.588 4.340 -0.000 0.000 0.287 75 R C -0.069 176.228 176.300 -0.005 0.000 1.053 75 R CA -0.416 55.683 56.100 -0.002 0.000 1.036 75 R CB 0.104 30.406 30.300 0.003 0.000 0.966 75 R HN 0.466 nan 8.270 nan 0.000 0.432 76 Y N 4.095 124.337 120.300 -0.097 0.000 2.433 76 Y HA 0.085 4.635 4.550 -0.000 0.000 0.411 76 Y C 0.918 176.764 175.900 -0.089 0.000 1.383 76 Y CA 0.447 58.479 58.100 -0.114 0.000 1.896 76 Y CB 0.609 39.002 38.460 -0.113 0.000 1.750 76 Y HN 0.635 nan 8.280 nan 0.000 0.627 77 R N -1.101 119.172 120.500 -0.377 0.000 4.379 77 R HA -0.001 4.338 4.340 -0.000 0.000 0.112 77 R C 1.632 177.837 176.300 -0.160 0.000 0.659 77 R CA 0.458 56.466 56.100 -0.154 0.000 1.167 77 R CB -0.512 29.830 30.300 0.070 0.000 1.572 77 R HN 0.663 nan 8.270 nan 0.000 0.426 78 N N 1.472 120.087 118.700 -0.142 0.000 2.520 78 N HA -0.071 4.669 4.740 -0.000 0.000 0.185 78 N C 1.122 176.535 175.510 -0.163 0.000 1.068 78 N CA 1.277 54.254 53.050 -0.122 0.000 0.911 78 N CB 0.309 38.731 38.487 -0.108 0.000 0.961 78 N HN 0.115 nan 8.380 nan 0.000 0.446 79 V N -0.063 119.703 119.914 -0.247 0.000 3.159 79 V HA 0.037 4.157 4.120 -0.000 0.000 0.234 79 V C 0.859 176.846 176.094 -0.177 0.000 1.313 79 V CA 0.195 62.342 62.300 -0.255 0.000 1.271 79 V CB 0.245 31.757 31.823 -0.518 0.000 1.053 79 V HN 0.404 nan 8.190 nan 0.000 0.476 80 E N 1.380 121.425 120.200 -0.259 0.000 2.371 80 E HA 0.339 4.689 4.350 -0.000 0.000 0.257 80 E C -0.780 175.739 176.600 -0.135 0.000 1.134 80 E CA -0.462 55.817 56.400 -0.201 0.000 0.919 80 E CB 0.713 30.236 29.700 -0.294 0.000 1.025 80 E HN 0.021 nan 8.360 nan 0.000 0.438 81 K N 1.808 122.173 120.400 -0.058 0.000 2.565 81 K HA 0.337 4.657 4.320 -0.000 0.000 0.249 81 K C -0.990 175.614 176.600 0.006 0.000 0.958 81 K CA -0.721 55.563 56.287 -0.004 0.000 0.806 81 K CB 1.601 34.119 32.500 0.030 0.000 1.194 81 K HN 0.496 nan 8.250 nan 0.000 0.434 82 I N 1.709 122.290 120.570 0.019 0.000 2.365 82 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 82 I C 0.329 176.452 176.117 0.011 0.000 1.004 82 I CA -0.406 60.898 61.300 0.007 0.000 1.311 82 I CB 1.035 39.039 38.000 0.006 0.000 1.401 82 I HN 0.333 nan 8.210 nan 0.000 0.491 83 S N 6.566 122.274 115.700 0.013 0.000 2.521 83 S HA 0.645 5.115 4.470 -0.000 0.000 0.295 83 S C -0.101 174.502 174.600 0.005 0.000 1.098 83 S CA -0.711 57.494 58.200 0.008 0.000 0.999 83 S CB 2.154 65.364 63.200 0.016 0.000 1.034 83 S HN 0.458 nan 8.310 nan 0.000 0.483 84 M N 2.522 122.116 119.600 -0.009 0.000 2.283 84 M HA 0.463 4.943 4.480 -0.000 0.000 0.314 84 M C -0.738 175.549 176.300 -0.022 0.000 1.153 84 M CA -0.346 54.947 55.300 -0.011 0.000 1.084 84 M CB 0.424 33.012 32.600 -0.021 0.000 1.468 84 M HN 0.365 nan 8.290 nan 0.000 0.474 85 L N 0.658 121.868 121.223 -0.023 0.000 2.322 85 L HA 0.304 4.644 4.340 -0.000 0.000 0.279 85 L C 0.973 177.806 176.870 -0.062 0.000 1.036 85 L CA -0.220 54.598 54.840 -0.038 0.000 0.807 85 L CB 1.507 43.555 42.059 -0.018 0.000 1.226 85 L HN 0.825 nan 8.230 nan 0.000 0.433 86 E N 1.397 121.541 120.200 -0.093 0.000 2.166 86 E HA 0.018 4.368 4.350 -0.000 0.000 0.192 86 E C -0.031 176.509 176.600 -0.100 0.000 0.967 86 E CA 0.575 56.913 56.400 -0.103 0.000 0.840 86 E CB 0.746 30.357 29.700 -0.149 0.000 0.795 86 E HN 0.472 nan 8.360 nan 0.000 0.470 87 K N -0.540 119.791 120.400 -0.114 0.000 2.615 87 K HA 0.449 4.768 4.320 -0.000 0.000 0.291 87 K C -1.997 174.457 176.600 -0.243 0.000 1.017 87 K CA -0.492 55.672 56.287 -0.204 0.000 0.882 87 K CB 1.380 33.729 32.500 -0.252 0.000 1.522 87 K HN -0.028 nan 8.250 nan 0.000 0.412 88 I N 2.722 123.047 120.570 -0.408 0.000 2.499 88 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 88 I C -1.308 174.579 176.117 -0.384 0.000 1.048 88 I CA -0.771 60.392 61.300 -0.230 0.000 1.062 88 I CB 1.647 39.602 38.000 -0.074 0.000 1.238 88 I HN 0.502 nan 8.210 nan 0.000 0.426 89 Y N 5.789 126.236 120.300 0.245 0.000 2.464 89 Y HA 0.435 4.986 4.550 0.001 0.000 0.326 89 Y C 0.188 176.331 175.900 0.404 0.000 0.969 89 Y CA -1.087 57.188 58.100 0.292 0.000 1.270 89 Y CB 1.521 40.133 38.460 0.254 0.000 1.103 89 Y HN 0.342 nan 8.280 nan 0.000 0.491 90 V N 0.450 120.600 119.914 0.394 0.000 2.644 90 V HA 0.390 4.510 4.120 -0.000 0.000 0.295 90 V C 0.347 176.638 176.094 0.329 0.000 1.053 90 V CA -0.674 61.803 62.300 0.295 0.000 0.987 90 V CB 1.221 33.138 31.823 0.157 0.000 1.006 90 V HN 0.771 nan 8.190 nan 0.000 0.472 91 H N 6.614 125.619 119.070 -0.108 0.000 3.001 91 H HA 0.181 4.737 4.556 -0.001 0.000 0.334 91 H C -1.689 173.631 175.328 -0.013 0.000 1.034 91 H CA -0.761 55.040 56.048 -0.411 0.000 1.420 91 H CB 1.866 31.116 29.762 -0.853 0.000 1.405 91 H HN 0.629 nan 8.280 nan 0.000 0.593 92 P HA -0.051 nan 4.420 nan 0.000 0.226 92 P C 0.821 178.278 177.300 0.262 0.000 1.153 92 P CA 0.869 64.094 63.100 0.210 0.000 0.777 92 P CB 0.410 32.193 31.700 0.138 0.000 0.794 93 R N -1.232 119.551 120.500 0.472 0.000 2.393 93 R HA 0.091 4.430 4.340 -0.000 0.000 0.244 93 R C 0.171 176.493 176.300 0.036 0.000 0.920 93 R CA -0.490 55.714 56.100 0.174 0.000 1.076 93 R CB -0.273 30.093 30.300 0.110 0.000 1.119 93 R HN 0.212 nan 8.270 nan 0.000 0.524 94 Y N 2.164 122.458 120.300 -0.009 0.000 2.624 94 Y HA 0.119 4.668 4.550 -0.001 0.000 0.354 94 Y C -0.309 175.613 175.900 0.037 0.000 1.051 94 Y CA -1.016 57.062 58.100 -0.037 0.000 1.377 94 Y CB -0.123 38.343 38.460 0.009 0.000 1.168 94 Y HN -0.190 nan 8.280 nan 0.000 0.525 95 N N 8.145 126.591 118.700 -0.424 0.000 2.602 95 N HA 0.004 4.744 4.740 -0.000 0.000 0.238 95 N C 0.116 175.223 175.510 -0.671 0.000 1.084 95 N CA -0.683 52.077 53.050 -0.483 0.000 0.952 95 N CB 0.014 38.305 38.487 -0.327 0.000 1.244 95 N HN 0.833 nan 8.380 nan 0.000 0.512 96 W N 3.813 124.626 121.300 -0.811 0.000 2.571 96 W HA -0.017 4.644 4.660 0.002 0.000 0.346 96 W C 0.736 177.110 176.519 -0.242 0.000 1.005 96 W CA -0.474 56.540 57.345 -0.551 0.000 2.096 96 W CB -1.030 28.271 29.460 -0.265 0.000 0.798 96 W HN 0.524 nan 8.180 nan 0.000 0.576 97 E N 2.625 122.636 120.200 -0.316 0.000 3.143 97 E HA -0.389 3.961 4.350 -0.000 0.000 0.259 97 E C 0.462 176.982 176.600 -0.132 0.000 0.974 97 E CA 3.324 59.602 56.400 -0.204 0.000 1.610 97 E CB -0.763 28.817 29.700 -0.201 0.000 1.596 97 E HN 0.710 nan 8.360 nan 0.000 0.390 98 N N -2.716 115.912 118.700 -0.121 0.000 3.387 98 N HA 0.259 4.999 4.740 -0.000 0.000 0.322 98 N C -0.044 175.453 175.510 -0.021 0.000 1.588 98 N CA -0.399 52.610 53.050 -0.068 0.000 0.778 98 N CB -0.126 38.311 38.487 -0.084 0.000 1.883 98 N HN 0.105 nan 8.380 nan 0.000 0.628 99 L N -0.342 120.886 121.223 0.008 0.000 2.599 99 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 99 L C 0.140 177.053 176.870 0.072 0.000 1.141 99 L CA 0.614 55.506 54.840 0.087 0.000 0.877 99 L CB -2.069 40.029 42.059 0.065 0.000 1.009 99 L HN 0.709 nan 8.230 nan 0.000 0.447 100 D N 1.713 122.109 120.400 -0.006 0.000 2.583 100 D HA -0.111 4.529 4.640 -0.000 0.000 0.232 100 D C 0.668 176.944 176.300 -0.040 0.000 1.128 100 D CA 0.438 54.410 54.000 -0.048 0.000 0.859 100 D CB 0.432 41.178 40.800 -0.090 0.000 1.169 100 D HN 0.136 nan 8.370 nan 0.000 0.481 101 R N 1.610 122.040 120.500 -0.116 0.000 3.525 101 R HA -0.227 4.113 4.340 -0.000 0.000 0.276 101 R C -0.626 175.593 176.300 -0.135 0.000 1.116 101 R CA 0.634 56.581 56.100 -0.256 0.000 0.745 101 R CB -1.645 28.285 30.300 -0.617 0.000 1.185 101 R HN 0.443 nan 8.270 nan 0.000 0.454 102 D N 1.384 121.767 120.400 -0.028 0.000 2.470 102 D HA 0.371 5.011 4.640 -0.000 0.000 0.226 102 D C -0.130 176.088 176.300 -0.136 0.000 1.196 102 D CA 0.168 54.117 54.000 -0.085 0.000 0.979 102 D CB 0.193 41.040 40.800 0.079 0.000 1.059 102 D HN 0.375 nan 8.370 nan 0.000 0.515 103 I N 1.326 121.768 120.570 -0.213 0.000 2.842 103 I HA 0.643 4.813 4.170 -0.000 0.000 0.297 103 I C -1.988 174.102 176.117 -0.044 0.000 1.380 103 I CA -0.592 60.652 61.300 -0.092 0.000 1.018 103 I CB 1.731 39.704 38.000 -0.045 0.000 1.311 103 I HN 0.342 nan 8.210 nan 0.000 0.439 104 A N 7.016 129.916 122.820 0.134 0.000 2.572 104 A HA 0.807 5.127 4.320 -0.000 0.000 0.295 104 A C -2.127 175.693 177.584 0.394 0.000 1.072 104 A CA -0.537 51.670 52.037 0.284 0.000 0.691 104 A CB 1.899 20.977 19.000 0.130 0.000 1.291 104 A HN 0.638 nan 8.150 nan 0.000 0.404 105 L N 1.795 123.323 121.223 0.508 0.000 2.322 105 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 105 L C -1.073 176.122 176.870 0.542 0.000 1.014 105 L CA -0.496 54.629 54.840 0.474 0.000 0.815 105 L CB 1.591 43.841 42.059 0.318 0.000 1.247 105 L HN 0.615 nan 8.230 nan 0.000 0.421 106 L N 4.152 125.664 121.223 0.481 0.000 2.325 106 L HA 0.492 4.832 4.340 -0.000 0.000 0.281 106 L C -0.255 176.776 176.870 0.269 0.000 1.004 106 L CA -0.604 54.432 54.840 0.327 0.000 0.823 106 L CB 1.704 43.878 42.059 0.193 0.000 1.236 106 L HN 0.515 nan 8.230 nan 0.000 0.415 107 K N 4.541 124.972 120.400 0.051 0.000 2.248 107 K HA 0.514 4.834 4.320 -0.000 0.000 0.281 107 K C -0.621 175.816 176.600 -0.272 0.000 1.054 107 K CA -0.577 55.439 56.287 -0.451 0.000 0.903 107 K CB 0.893 33.011 32.500 -0.637 0.000 1.077 107 K HN 0.543 nan 8.250 nan 0.000 0.474 108 L N 4.546 125.607 121.223 -0.271 0.000 2.417 108 L HA 0.141 4.480 4.340 -0.000 0.000 0.268 108 L C 1.539 178.298 176.870 -0.185 0.000 1.158 108 L CA -0.260 54.486 54.840 -0.155 0.000 0.819 108 L CB 0.679 42.682 42.059 -0.094 0.000 1.112 108 L HN 0.734 nan 8.230 nan 0.000 0.458 109 K N 0.831 121.155 120.400 -0.126 0.000 2.057 109 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 109 K C 0.093 176.621 176.600 -0.120 0.000 1.050 109 K CA 1.234 57.448 56.287 -0.123 0.000 0.935 109 K CB 0.233 32.683 32.500 -0.083 0.000 0.715 109 K HN 0.391 nan 8.250 nan 0.000 0.439 110 K N 0.506 120.849 120.400 -0.095 0.000 2.426 110 K HA 0.319 4.639 4.320 -0.000 0.000 0.251 110 K C -2.711 173.844 176.600 -0.075 0.000 0.941 110 K CA -2.342 53.896 56.287 -0.082 0.000 0.808 110 K CB 1.592 34.057 32.500 -0.059 0.000 1.265 110 K HN -0.083 nan 8.250 nan 0.000 0.432 111 P HA -0.000 nan 4.420 nan 0.000 0.266 111 P C -0.150 177.116 177.300 -0.056 0.000 1.195 111 P CA -0.335 62.721 63.100 -0.072 0.000 0.768 111 P CB 0.787 32.430 31.700 -0.095 0.000 0.838 112 V N 5.253 125.159 119.914 -0.013 0.000 2.432 112 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 112 V C -2.047 174.034 176.094 -0.021 0.000 1.043 112 V CA -2.558 59.762 62.300 0.033 0.000 0.925 112 V CB 0.954 32.855 31.823 0.130 0.000 0.985 112 V HN 0.516 nan 8.190 nan 0.000 0.466 113 P HA 0.169 nan 4.420 nan 0.000 0.271 113 P C -0.735 176.654 177.300 0.149 0.000 1.226 113 P CA -0.003 63.062 63.100 -0.057 0.000 0.765 113 P CB 0.400 32.093 31.700 -0.011 0.000 0.835 114 F N 1.430 121.416 119.950 0.060 0.000 2.399 114 F HA 0.432 4.958 4.527 -0.001 0.000 0.313 114 F C 1.670 177.522 175.800 0.086 0.000 1.202 114 F CA -0.335 57.718 58.000 0.088 0.000 1.192 114 F CB 0.139 39.209 39.000 0.117 0.000 1.256 114 F HN 0.479 nan 8.300 nan 0.000 0.558 115 S N -1.128 114.751 115.700 0.297 0.000 2.714 115 S HA 0.261 4.731 4.470 -0.000 0.000 0.280 115 S C -0.210 174.397 174.600 0.013 0.000 1.200 115 S CA -0.764 57.529 58.200 0.156 0.000 0.900 115 S CB 1.005 64.317 63.200 0.187 0.000 1.235 115 S HN 0.341 nan 8.310 nan 0.000 0.512 116 D N -0.122 120.187 120.400 -0.152 0.000 2.378 116 D HA 0.120 4.760 4.640 -0.000 0.000 0.222 116 D C 0.376 176.217 176.300 -0.764 0.000 0.980 116 D CA 1.212 54.910 54.000 -0.503 0.000 0.907 116 D CB -0.239 40.119 40.800 -0.736 0.000 0.899 116 D HN 0.558 nan 8.370 nan 0.000 0.527 117 Y N -0.808 119.467 120.300 -0.041 0.000 2.453 117 Y HA 0.363 4.913 4.550 -0.000 0.000 0.247 117 Y C 0.654 176.526 175.900 -0.047 0.000 1.124 117 Y CA -0.246 57.814 58.100 -0.067 0.000 1.243 117 Y CB 1.175 39.604 38.460 -0.053 0.000 1.213 117 Y HN -0.210 nan 8.280 nan 0.000 0.523 118 I N 0.514 121.148 120.570 0.107 0.000 2.468 118 I HA 0.335 4.504 4.170 -0.000 0.000 0.284 118 I C -1.348 174.802 176.117 0.056 0.000 1.038 118 I CA -0.515 60.850 61.300 0.108 0.000 1.083 118 I CB 1.524 39.643 38.000 0.198 0.000 1.223 118 I HN 0.031 nan 8.210 nan 0.000 0.443 119 H N 7.299 126.255 119.070 -0.189 0.000 3.099 119 H HA 0.375 4.931 4.556 -0.000 0.000 0.342 119 H C -2.842 172.393 175.328 -0.154 0.000 1.054 119 H CA -1.007 54.826 56.048 -0.358 0.000 1.328 119 H CB 2.865 32.508 29.762 -0.197 0.000 1.876 119 H HN 0.220 nan 8.280 nan 0.000 0.495 120 P HA 0.041 nan 4.420 nan 0.000 0.270 120 P C -0.451 176.859 177.300 0.017 0.000 1.223 120 P CA -0.154 62.842 63.100 -0.174 0.000 0.785 120 P CB 1.613 33.150 31.700 -0.272 0.000 0.923 121 V N 1.813 121.716 119.914 -0.018 0.000 3.096 121 V HA 0.341 4.461 4.120 -0.000 0.000 0.319 121 V C -0.283 175.668 176.094 -0.238 0.000 1.082 121 V CA -0.545 61.571 62.300 -0.307 0.000 1.022 121 V CB 1.653 33.024 31.823 -0.752 0.000 1.103 121 V HN 0.702 nan 8.190 nan 0.000 0.455 122 C N 4.105 123.201 119.300 -0.339 0.000 2.365 122 C HA 0.557 5.017 4.460 -0.000 0.000 0.351 122 C C 0.101 175.040 174.990 -0.084 0.000 1.240 122 C CA -0.963 57.891 59.018 -0.274 0.000 2.062 122 C CB 0.253 27.620 27.740 -0.621 0.000 2.387 122 C HN 0.717 nan 8.230 nan 0.000 0.537 123 L N 4.901 126.159 121.223 0.058 0.000 2.350 123 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 123 L C -1.693 175.379 176.870 0.337 0.000 1.099 123 L CA -1.146 53.800 54.840 0.175 0.000 0.808 123 L CB 0.915 43.055 42.059 0.135 0.000 1.149 123 L HN 0.472 nan 8.230 nan 0.000 0.442 124 P HA 0.182 nan 4.420 nan 0.000 0.276 124 P C -1.692 175.746 177.300 0.231 0.000 1.252 124 P CA -0.424 62.816 63.100 0.233 0.000 0.802 124 P CB 1.235 32.999 31.700 0.106 0.000 1.035 125 D N -0.536 119.849 120.400 -0.026 0.000 2.450 125 D HA 0.208 4.848 4.640 -0.000 0.000 0.238 125 D C 0.988 176.943 176.300 -0.575 0.000 1.020 125 D CA -0.963 53.024 54.000 -0.022 0.000 1.010 125 D CB 0.936 41.752 40.800 0.027 0.000 1.342 125 D HN 0.173 nan 8.370 nan 0.000 0.530 126 K N -0.240 119.819 120.400 -0.568 0.000 2.089 126 K HA -0.345 3.975 4.320 -0.000 0.000 0.210 126 K C 1.859 178.185 176.600 -0.457 0.000 1.048 126 K CA 2.236 58.104 56.287 -0.698 0.000 0.926 126 K CB -0.169 32.245 32.500 -0.143 0.000 0.714 126 K HN 0.357 nan 8.250 nan 0.000 0.448 127 Q N 0.639 120.267 119.800 -0.287 0.000 1.975 127 Q HA -0.059 4.281 4.340 -0.000 0.000 0.205 127 Q C -0.106 175.721 176.000 -0.289 0.000 0.990 127 Q CA 1.974 57.640 55.803 -0.229 0.000 0.845 127 Q CB -0.786 27.856 28.738 -0.160 0.000 0.913 127 Q HN 0.328 nan 8.270 nan 0.000 0.420 128 T N 2.101 116.440 114.554 -0.359 0.000 2.656 128 T HA 0.042 4.392 4.350 -0.000 0.000 0.263 128 T C 0.771 175.251 174.700 -0.367 0.000 1.017 128 T CA 1.010 62.847 62.100 -0.438 0.000 1.216 128 T CB -0.311 68.165 68.868 -0.654 0.000 0.989 128 T HN 0.476 nan 8.240 nan 0.000 0.507 129 L N 0.488 121.646 121.223 -0.109 0.000 2.473 129 L HA -0.158 4.182 4.340 -0.000 0.000 0.454 129 L C 0.797 177.601 176.870 -0.109 0.000 0.705 129 L CA 0.409 55.252 54.840 0.004 0.000 3.161 129 L CB -1.096 40.931 42.059 -0.053 0.000 0.683 129 L HN 0.465 nan 8.230 nan 0.000 0.754 130 L N 3.188 124.264 121.223 -0.246 0.000 2.382 130 L HA 0.257 4.597 4.340 -0.000 0.000 0.259 130 L C 0.622 177.266 176.870 -0.377 0.000 1.291 130 L CA 0.863 55.487 54.840 -0.358 0.000 1.176 130 L CB -0.496 41.303 42.059 -0.434 0.000 1.373 130 L HN 0.174 nan 8.230 nan 0.000 0.426 131 R N 3.231 123.467 120.500 -0.439 0.000 2.651 131 R HA 0.765 5.105 4.340 -0.000 0.000 0.278 131 R C -0.607 175.466 176.300 -0.378 0.000 1.010 131 R CA -0.560 55.257 56.100 -0.471 0.000 0.896 131 R CB 0.703 30.610 30.300 -0.655 0.000 1.211 131 R HN 0.274 nan 8.270 nan 0.000 0.456 132 A N 1.190 123.867 122.820 -0.239 0.000 2.616 132 A HA 0.311 4.631 4.320 -0.000 0.000 0.234 132 A C 1.518 179.077 177.584 -0.042 0.000 1.024 132 A CA 1.566 53.527 52.037 -0.126 0.000 0.758 132 A CB -0.769 18.170 19.000 -0.101 0.000 0.939 132 A HN 1.591 nan 8.150 nan 0.000 0.510 133 G N 0.719 109.540 108.800 0.036 0.000 2.336 133 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.233 133 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.233 133 G C 0.208 175.246 174.900 0.229 0.000 1.053 133 G CA 0.481 45.656 45.100 0.125 0.000 0.625 133 G HN 0.942 nan 8.290 nan 0.000 0.511 134 Y N 2.357 122.640 120.300 -0.029 0.000 2.511 134 Y HA 0.473 5.023 4.550 -0.000 0.000 0.332 134 Y C 1.260 177.164 175.900 0.007 0.000 1.177 134 Y CA -0.260 57.825 58.100 -0.024 0.000 1.422 134 Y CB 0.547 38.971 38.460 -0.059 0.000 1.271 134 Y HN 0.174 nan 8.280 nan 0.000 0.550 135 K N 2.066 122.529 120.400 0.105 0.000 2.143 135 K HA 0.613 4.933 4.320 -0.000 0.000 0.272 135 K C 0.355 176.972 176.600 0.028 0.000 1.001 135 K CA -0.481 55.855 56.287 0.082 0.000 0.915 135 K CB 1.291 33.831 32.500 0.067 0.000 1.047 135 K HN 0.852 nan 8.250 nan 0.000 0.458 136 G N 1.233 110.006 108.800 -0.045 0.000 2.788 136 G HA2 0.532 4.492 3.960 -0.000 0.000 0.293 136 G HA3 0.532 4.492 3.960 -0.000 0.000 0.293 136 G C -1.342 173.239 174.900 -0.532 0.000 1.305 136 G CA -0.630 44.121 45.100 -0.582 0.000 1.005 136 G HN 0.522 nan 8.290 nan 0.000 0.496 137 R N -0.656 119.492 120.500 -0.587 0.000 2.621 137 R HA 0.651 4.991 4.340 -0.000 0.000 0.292 137 R C -1.702 174.448 176.300 -0.249 0.000 0.969 137 R CA -0.446 55.509 56.100 -0.243 0.000 0.887 137 R CB 2.210 32.523 30.300 0.021 0.000 1.180 137 R HN 0.338 nan 8.270 nan 0.000 0.450 138 V N 2.937 122.780 119.914 -0.118 0.000 2.656 138 V HA 0.528 4.648 4.120 -0.000 0.000 0.307 138 V C -0.431 175.605 176.094 -0.097 0.000 1.051 138 V CA -0.594 61.701 62.300 -0.009 0.000 0.893 138 V CB 2.184 34.099 31.823 0.153 0.000 0.999 138 V HN 1.017 nan 8.190 nan 0.000 0.426 139 T N 0.564 115.059 114.554 -0.098 0.000 2.906 139 T HA 0.977 5.327 4.350 -0.000 0.000 0.295 139 T C -0.165 174.371 174.700 -0.274 0.000 1.061 139 T CA -0.304 61.656 62.100 -0.233 0.000 1.000 139 T CB 2.207 70.919 68.868 -0.261 0.000 1.103 139 T HN 1.400 nan 8.240 nan 0.000 0.486 140 G N -0.404 108.130 108.800 -0.443 0.000 2.320 140 G HA2 0.418 4.378 3.960 -0.000 0.000 0.296 140 G HA3 0.418 4.378 3.960 -0.000 0.000 0.296 140 G C -1.470 173.112 174.900 -0.530 0.000 1.306 140 G CA -0.812 44.015 45.100 -0.455 0.000 0.836 140 G HN 0.652 nan 8.290 nan 0.000 0.517 141 W N 0.975 122.259 121.300 -0.026 0.000 2.818 141 W HA 0.391 5.051 4.660 0.000 0.000 0.403 141 W C 1.085 177.587 176.519 -0.029 0.000 0.991 141 W CA -0.285 57.040 57.345 -0.033 0.000 1.925 141 W CB 0.801 30.251 29.460 -0.016 0.000 1.166 141 W HN 0.836 nan 8.180 nan 0.000 0.605 142 G N 1.705 110.573 108.800 0.115 0.000 2.699 142 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.246 142 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.246 142 G C 0.426 175.348 174.900 0.037 0.000 1.219 142 G CA -0.285 44.854 45.100 0.065 0.000 0.866 142 G HN -0.087 nan 8.290 nan 0.000 0.572 143 N N -0.841 117.865 118.700 0.010 0.000 2.344 143 N HA 0.007 4.747 4.740 -0.000 0.000 0.236 143 N C 1.449 176.955 175.510 -0.006 0.000 1.279 143 N CA -0.215 52.832 53.050 -0.006 0.000 0.882 143 N CB 0.912 39.376 38.487 -0.037 0.000 1.110 143 N HN 0.342 nan 8.380 nan 0.000 0.436 144 L N -0.203 121.018 121.223 -0.003 0.000 2.446 144 L HA 0.138 4.478 4.340 -0.000 0.000 0.219 144 L C 0.877 177.749 176.870 0.004 0.000 1.116 144 L CA 0.518 55.360 54.840 0.004 0.000 0.844 144 L CB -0.128 41.939 42.059 0.013 0.000 0.970 144 L HN 0.556 nan 8.230 nan 0.000 0.457 145 R N -0.966 119.530 120.500 -0.008 0.000 2.756 145 R HA 0.275 4.615 4.340 -0.000 0.000 0.273 145 R C -0.974 175.309 176.300 -0.028 0.000 1.030 145 R CA -0.914 55.182 56.100 -0.007 0.000 0.887 145 R CB 0.969 31.273 30.300 0.006 0.000 1.274 145 R HN -0.170 nan 8.270 nan 0.000 0.461 146 E N 1.539 121.728 120.200 -0.019 0.000 2.452 146 E HA -0.008 4.342 4.350 -0.000 0.000 0.261 146 E C -0.329 176.233 176.600 -0.064 0.000 0.987 146 E CA 0.120 56.500 56.400 -0.032 0.000 0.926 146 E CB 0.849 30.554 29.700 0.007 0.000 0.934 146 E HN 0.501 nan 8.360 nan 0.000 0.452 147 T N 3.233 117.685 114.554 -0.171 0.000 2.860 147 T HA 0.057 4.407 4.350 -0.000 0.000 0.299 147 T C -0.473 174.114 174.700 -0.188 0.000 1.045 147 T CA 0.334 62.228 62.100 -0.343 0.000 1.071 147 T CB 0.060 68.502 68.868 -0.710 0.000 0.985 147 T HN 0.821 nan 8.240 nan 0.000 0.537 148 W N 1.663 122.967 121.300 0.006 0.000 3.613 148 W HA -0.161 4.497 4.660 -0.003 0.000 0.376 148 W C 0.709 177.231 176.519 0.006 0.000 1.463 148 W CA 0.078 57.426 57.345 0.005 0.000 0.714 148 W CB -2.445 27.017 29.460 0.004 0.000 2.614 148 W HN 1.080 nan 8.180 nan 0.000 1.183 149 E N -1.718 118.489 120.200 0.012 0.000 3.680 149 E HA -0.293 4.057 4.350 -0.000 0.000 0.309 149 E C 0.920 177.528 176.600 0.013 0.000 0.793 149 E CA 1.525 57.935 56.400 0.016 0.000 1.083 149 E CB -1.580 28.133 29.700 0.021 0.000 1.548 149 E HN 0.766 nan 8.360 nan 0.000 0.456 150 I N -2.582 117.989 120.570 0.001 0.000 4.082 150 I HA 0.168 4.338 4.170 -0.000 0.000 0.337 150 I C 0.251 176.366 176.117 -0.003 0.000 1.352 150 I CA -0.191 61.106 61.300 -0.006 0.000 1.097 150 I CB 0.341 38.323 38.000 -0.029 0.000 1.048 150 I HN -0.080 nan 8.210 nan 0.000 0.393 151 Q N 4.181 123.985 119.800 0.006 0.000 2.322 151 Q HA 0.486 4.826 4.340 -0.000 0.000 0.265 151 Q C -2.476 173.547 176.000 0.038 0.000 0.985 151 Q CA -2.126 53.690 55.803 0.021 0.000 0.849 151 Q CB 1.967 30.712 28.738 0.013 0.000 1.274 151 Q HN 0.153 nan 8.270 nan 0.000 0.449 152 P HA -0.011 nan 4.420 nan 0.000 0.275 152 P C 0.199 177.548 177.300 0.081 0.000 1.228 152 P CA -0.088 63.051 63.100 0.065 0.000 0.786 152 P CB 1.400 33.139 31.700 0.064 0.000 0.927 153 S N 1.318 117.054 115.700 0.059 0.000 2.446 153 S HA 0.081 4.551 4.470 -0.000 0.000 0.225 153 S C 0.830 175.464 174.600 0.058 0.000 1.016 153 S CA 0.324 58.554 58.200 0.050 0.000 0.943 153 S CB -0.177 63.048 63.200 0.041 0.000 0.786 153 S HN 0.320 nan 8.310 nan 0.000 0.508 154 V N 1.242 121.185 119.914 0.048 0.000 3.040 154 V HA 0.476 4.596 4.120 -0.000 0.000 0.312 154 V C -0.435 175.643 176.094 -0.027 0.000 1.115 154 V CA -1.263 61.012 62.300 -0.042 0.000 0.998 154 V CB 1.962 33.668 31.823 -0.196 0.000 1.042 154 V HN 0.479 nan 8.190 nan 0.000 0.433 155 L N 3.553 124.705 121.223 -0.117 0.000 2.559 155 L HA 0.112 4.452 4.340 -0.000 0.000 0.282 155 L C 0.087 176.734 176.870 -0.372 0.000 1.232 155 L CA 1.061 55.634 54.840 -0.446 0.000 0.885 155 L CB 0.228 41.968 42.059 -0.532 0.000 1.131 155 L HN 0.615 nan 8.230 nan 0.000 0.498 156 Q N 4.016 123.571 119.800 -0.408 0.000 2.257 156 Q HA 0.586 4.926 4.340 -0.000 0.000 0.262 156 Q C -0.998 174.747 176.000 -0.424 0.000 0.997 156 Q CA -0.511 55.092 55.803 -0.334 0.000 0.873 156 Q CB 2.231 30.823 28.738 -0.244 0.000 1.312 156 Q HN 0.587 nan 8.270 nan 0.000 0.450 157 V N 0.977 120.545 119.914 -0.577 0.000 2.709 157 V HA 0.804 4.924 4.120 -0.000 0.000 0.308 157 V C -1.477 173.942 176.094 -1.124 0.000 1.062 157 V CA -0.612 61.280 62.300 -0.680 0.000 0.901 157 V CB 2.161 33.664 31.823 -0.534 0.000 1.003 157 V HN 0.527 nan 8.190 nan 0.000 0.425 158 V N 5.784 125.273 119.914 -0.707 0.000 3.012 158 V HA 0.669 4.789 4.120 -0.000 0.000 0.307 158 V C -1.227 174.753 176.094 -0.190 0.000 1.166 158 V CA -0.691 61.232 62.300 -0.629 0.000 0.974 158 V CB 2.706 34.367 31.823 -0.270 0.000 1.040 158 V HN 1.017 nan 8.190 nan 0.000 0.428 159 N N 5.544 124.295 118.700 0.085 0.000 2.400 159 N HA 0.688 5.428 4.740 -0.000 0.000 0.288 159 N C -1.288 174.297 175.510 0.124 0.000 1.024 159 N CA -0.220 52.926 53.050 0.160 0.000 0.894 159 N CB 1.954 40.627 38.487 0.310 0.000 1.173 159 N HN 0.546 nan 8.380 nan 0.000 0.487 160 L N 2.625 123.846 121.223 -0.002 0.000 2.410 160 L HA 0.554 4.894 4.340 -0.000 0.000 0.270 160 L C -2.368 174.464 176.870 -0.064 0.000 0.983 160 L CA -1.938 52.793 54.840 -0.181 0.000 0.822 160 L CB 2.808 44.855 42.059 -0.020 0.000 1.285 160 L HN 0.241 nan 8.230 nan 0.000 0.409 161 P HA 0.228 nan 4.420 nan 0.000 0.279 161 P C -0.436 176.866 177.300 0.003 0.000 1.239 161 P CA -0.211 62.868 63.100 -0.035 0.000 0.789 161 P CB 1.243 32.916 31.700 -0.045 0.000 0.933 162 I N 2.158 122.752 120.570 0.040 0.000 2.634 162 I HA 0.089 4.259 4.170 -0.000 0.000 0.284 162 I C 0.764 176.843 176.117 -0.063 0.000 1.124 162 I CA -0.313 60.964 61.300 -0.037 0.000 1.417 162 I CB 0.684 38.602 38.000 -0.135 0.000 1.396 162 I HN 0.069 nan 8.210 nan 0.000 0.571 163 V N 5.450 125.308 119.914 -0.092 0.000 2.713 163 V HA 0.166 4.286 4.120 -0.000 0.000 0.307 163 V C 0.276 176.280 176.094 -0.150 0.000 1.052 163 V CA -0.931 61.256 62.300 -0.187 0.000 0.967 163 V CB 1.624 33.171 31.823 -0.459 0.000 1.019 163 V HN 0.599 nan 8.190 nan 0.000 0.459 164 E N 2.647 122.758 120.200 -0.149 0.000 2.480 164 E HA -0.038 4.312 4.350 -0.000 0.000 0.258 164 E C 1.051 177.600 176.600 -0.085 0.000 0.984 164 E CA 0.201 56.542 56.400 -0.098 0.000 0.930 164 E CB 0.464 30.120 29.700 -0.073 0.000 0.936 164 E HN 0.528 nan 8.360 nan 0.000 0.466 165 R N 4.617 125.087 120.500 -0.050 0.000 2.103 165 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 165 R C -0.833 175.454 176.300 -0.020 0.000 1.142 165 R CA 1.576 57.663 56.100 -0.022 0.000 0.960 165 R CB -0.587 29.708 30.300 -0.008 0.000 0.858 165 R HN 0.298 nan 8.270 nan 0.000 0.439 166 P HA -0.057 nan 4.420 nan 0.000 0.219 166 P C 1.136 178.439 177.300 0.005 0.000 1.150 166 P CA 0.812 63.907 63.100 -0.008 0.000 0.814 166 P CB 0.156 31.851 31.700 -0.009 0.000 0.787 167 V N 0.141 120.048 119.914 -0.012 0.000 2.453 167 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 167 V C 2.486 178.617 176.094 0.062 0.000 1.048 167 V CA 2.131 64.437 62.300 0.010 0.000 1.049 167 V CB -1.463 30.332 31.823 -0.047 0.000 0.672 167 V HN 0.327 nan 8.190 nan 0.000 0.457 168 c N -1.115 117.492 118.600 0.011 0.000 2.533 168 c HA 0.141 4.711 4.570 -0.000 0.000 0.272 168 c C 2.404 176.585 174.090 0.153 0.000 1.371 168 c CA -0.271 56.159 56.329 0.167 0.000 1.758 168 c CB -0.896 41.709 42.510 0.159 0.000 1.972 168 c HN 0.438 nan 8.230 nan 0.000 0.522 169 K N 1.760 122.195 120.400 0.059 0.000 2.147 169 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 169 K C 2.323 178.953 176.600 0.050 0.000 1.049 169 K CA 1.568 57.867 56.287 0.021 0.000 0.936 169 K CB -0.209 32.288 32.500 -0.005 0.000 0.722 169 K HN 0.627 nan 8.250 nan 0.000 0.446 170 A N 1.025 123.889 122.820 0.074 0.000 2.016 170 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 170 A C 1.986 179.635 177.584 0.108 0.000 1.162 170 A CA 1.437 53.520 52.037 0.078 0.000 0.662 170 A CB -0.233 18.811 19.000 0.073 0.000 0.812 170 A HN 0.332 nan 8.150 nan 0.000 0.450 171 S N -1.993 113.810 115.700 0.172 0.000 2.562 171 S HA 0.163 4.633 4.470 -0.000 0.000 0.221 171 S C 0.615 175.305 174.600 0.151 0.000 0.975 171 S CA 0.748 59.055 58.200 0.180 0.000 0.918 171 S CB -0.291 63.081 63.200 0.286 0.000 0.772 171 S HN 0.430 nan 8.310 nan 0.000 0.531 172 T N 0.079 114.722 114.554 0.149 0.000 2.894 172 T HA 0.445 4.795 4.350 -0.000 0.000 0.309 172 T C 0.108 174.851 174.700 0.072 0.000 1.208 172 T CA -0.808 61.375 62.100 0.138 0.000 1.016 172 T CB 1.592 70.618 68.868 0.264 0.000 1.192 172 T HN 0.095 nan 8.240 nan 0.000 0.491 173 R N 1.838 122.371 120.500 0.056 0.000 2.276 173 R HA 0.267 4.607 4.340 -0.000 0.000 0.203 173 R C 0.580 176.880 176.300 0.001 0.000 1.017 173 R CA 0.325 56.439 56.100 0.023 0.000 1.010 173 R CB -0.085 30.228 30.300 0.021 0.000 0.900 173 R HN 0.560 nan 8.270 nan 0.000 0.469 174 I N 1.625 122.199 120.570 0.008 0.000 2.588 174 I HA -0.013 4.157 4.170 -0.000 0.000 0.283 174 I C 0.705 176.740 176.117 -0.137 0.000 1.119 174 I CA -0.073 61.197 61.300 -0.050 0.000 1.419 174 I CB 0.556 38.544 38.000 -0.020 0.000 1.394 174 I HN -0.059 nan 8.210 nan 0.000 0.562 175 R N 5.941 126.359 120.500 -0.138 0.000 2.248 175 R HA 0.332 4.672 4.340 -0.000 0.000 0.328 175 R C -0.946 175.222 176.300 -0.220 0.000 1.067 175 R CA -0.447 55.564 56.100 -0.148 0.000 0.924 175 R CB 0.298 30.535 30.300 -0.106 0.000 1.013 175 R HN 0.463 nan 8.270 nan 0.000 0.454 176 I N 5.411 125.842 120.570 -0.232 0.000 2.269 176 I HA 0.067 4.237 4.170 -0.000 0.000 0.293 176 I C 0.944 176.978 176.117 -0.139 0.000 1.106 176 I CA 0.045 61.191 61.300 -0.257 0.000 1.248 176 I CB 1.129 38.974 38.000 -0.259 0.000 1.444 176 I HN 0.712 nan 8.210 nan 0.000 0.497 177 T N 0.327 114.808 114.554 -0.121 0.000 2.689 177 T HA 0.097 4.447 4.350 -0.000 0.000 0.308 177 T C 0.887 175.560 174.700 -0.045 0.000 1.021 177 T CA -0.405 61.647 62.100 -0.079 0.000 0.973 177 T CB 0.648 69.467 68.868 -0.081 0.000 1.113 177 T HN 0.476 nan 8.240 nan 0.000 0.522 178 D N 0.310 120.684 120.400 -0.042 0.000 2.363 178 D HA -0.002 4.637 4.640 -0.000 0.000 0.220 178 D C 0.957 177.236 176.300 -0.034 0.000 0.994 178 D CA 0.400 54.381 54.000 -0.030 0.000 0.890 178 D CB -0.135 40.634 40.800 -0.052 0.000 0.906 178 D HN 0.458 nan 8.370 nan 0.000 0.530 179 N N 0.599 119.281 118.700 -0.029 0.000 2.313 179 N HA 0.075 4.815 4.740 -0.000 0.000 0.207 179 N C 0.489 176.059 175.510 0.099 0.000 1.141 179 N CA 0.196 53.244 53.050 -0.004 0.000 0.830 179 N CB 0.437 38.890 38.487 -0.056 0.000 1.008 179 N HN 0.401 nan 8.380 nan 0.000 0.481 180 M N -1.195 118.479 119.600 0.123 0.000 2.683 180 M HA 0.626 5.106 4.480 -0.000 0.000 0.274 180 M C -1.553 174.877 176.300 0.216 0.000 1.272 180 M CA -1.146 54.221 55.300 0.112 0.000 0.833 180 M CB 2.446 35.029 32.600 -0.029 0.000 1.708 180 M HN -0.143 nan 8.290 nan 0.000 0.463 181 F N -1.147 118.858 119.950 0.092 0.000 2.668 181 F HA 0.867 5.394 4.527 0.001 0.000 0.309 181 F C -1.811 174.046 175.800 0.095 0.000 1.117 181 F CA -1.189 56.830 58.000 0.032 0.000 0.951 181 F CB 0.863 39.822 39.000 -0.067 0.000 1.323 181 F HN 0.803 nan 8.300 nan 0.000 0.451 182 c N 1.851 120.634 118.600 0.305 0.000 2.399 182 c HA 1.011 5.580 4.570 -0.000 0.000 0.348 182 c C 0.132 174.351 174.090 0.215 0.000 1.183 182 c CA -0.186 56.317 56.329 0.291 0.000 2.023 182 c CB 0.836 43.504 42.510 0.263 0.000 2.361 182 c HN 1.151 nan 8.230 nan 0.000 0.521 183 A N 0.890 123.837 122.820 0.212 0.000 2.486 183 A HA 0.840 5.160 4.320 -0.000 0.000 0.300 183 A C -1.052 176.651 177.584 0.198 0.000 1.048 183 A CA -0.391 51.703 52.037 0.094 0.000 0.696 183 A CB 0.583 19.520 19.000 -0.106 0.000 1.278 183 A HN 0.668 nan 8.150 nan 0.000 0.405 184 F N 0.525 120.630 119.950 0.258 0.000 2.368 184 F HA 0.409 4.936 4.527 -0.000 0.000 0.315 184 F C 1.605 177.560 175.800 0.257 0.000 1.145 184 F CA -0.199 57.929 58.000 0.213 0.000 1.095 184 F CB 1.147 40.238 39.000 0.151 0.000 1.286 184 F HN 0.696 nan 8.300 nan 0.000 0.530 185 K N 0.503 121.161 120.400 0.429 0.000 2.296 185 K HA 0.004 4.324 4.320 -0.000 0.000 0.200 185 K C -0.073 176.654 176.600 0.212 0.000 1.048 185 K CA 0.492 56.970 56.287 0.318 0.000 0.966 185 K CB -0.082 32.559 32.500 0.236 0.000 0.754 185 K HN 0.302 nan 8.250 nan 0.000 0.466 186 K N 2.424 122.805 120.400 -0.031 0.000 2.264 186 K HA -0.130 4.190 4.320 -0.000 0.000 0.262 186 K C -0.610 175.976 176.600 -0.023 0.000 1.247 186 K CA 0.663 56.943 56.287 -0.010 0.000 1.248 186 K CB -0.110 32.390 32.500 -0.001 0.000 0.825 186 K HN 0.123 nan 8.250 nan 0.000 0.468 187 R N 1.786 122.312 120.500 0.043 0.000 2.265 187 R HA 0.155 4.495 4.340 -0.000 0.000 0.314 187 R C 0.709 177.158 176.300 0.247 0.000 1.053 187 R CA -0.485 55.711 56.100 0.161 0.000 0.931 187 R CB 1.185 31.632 30.300 0.245 0.000 1.024 187 R HN 0.594 nan 8.270 nan 0.000 0.457 188 G N 1.151 110.200 108.800 0.415 0.000 2.539 188 G HA2 0.232 4.192 3.960 -0.000 0.000 0.258 188 G HA3 0.232 4.192 3.960 -0.000 0.000 0.258 188 G C -0.562 174.495 174.900 0.263 0.000 1.202 188 G CA 0.097 45.392 45.100 0.324 0.000 0.851 188 G HN 0.558 nan 8.290 nan 0.000 0.556 189 D N -1.508 118.981 120.400 0.149 0.000 2.769 189 D HA 0.516 5.156 4.640 -0.000 0.000 0.309 189 D C -0.750 175.590 176.300 0.066 0.000 1.315 189 D CA -0.085 53.983 54.000 0.113 0.000 0.780 189 D CB 1.494 42.342 40.800 0.079 0.000 1.312 189 D HN 0.675 nan 8.370 nan 0.000 0.437 190 A N 0.182 123.036 122.820 0.057 0.000 2.312 190 A HA 0.691 5.010 4.320 -0.000 0.000 0.328 190 A C -0.065 177.507 177.584 -0.020 0.000 1.158 190 A CA -0.368 51.682 52.037 0.023 0.000 0.821 190 A CB 0.768 19.795 19.000 0.045 0.000 1.170 190 A HN 0.581 nan 8.150 nan 0.000 0.490 191 c N -0.303 118.286 118.600 -0.019 0.000 2.547 191 c HA 0.507 5.077 4.570 -0.000 0.000 0.411 191 c C 1.986 176.065 174.090 -0.018 0.000 1.424 191 c CA -0.100 56.213 56.329 -0.027 0.000 1.848 191 c CB 1.434 43.932 42.510 -0.021 0.000 2.062 191 c HN 1.106 nan 8.230 nan 0.000 0.504 192 E N 0.790 120.980 120.200 -0.016 0.000 2.118 192 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 192 E C 1.993 178.614 176.600 0.035 0.000 0.992 192 E CA 1.894 58.300 56.400 0.011 0.000 0.804 192 E CB -0.569 29.132 29.700 0.001 0.000 0.741 192 E HN 0.857 nan 8.360 nan 0.000 0.458 193 G N -0.147 108.669 108.800 0.027 0.000 2.534 193 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.217 193 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.217 193 G C 0.951 175.896 174.900 0.074 0.000 1.128 193 G CA 0.751 45.882 45.100 0.052 0.000 0.784 193 G HN 0.217 nan 8.290 nan 0.000 0.542 194 D N 0.399 120.826 120.400 0.046 0.000 2.349 194 D HA 0.081 4.720 4.640 -0.000 0.000 0.215 194 D C 1.157 177.485 176.300 0.045 0.000 1.016 194 D CA 0.095 54.118 54.000 0.039 0.000 0.870 194 D CB 0.249 41.055 40.800 0.011 0.000 0.917 194 D HN 0.074 nan 8.370 nan 0.000 0.524 195 S N -0.470 115.259 115.700 0.049 0.000 2.559 195 S HA 0.259 4.729 4.470 -0.000 0.000 0.282 195 S C 1.621 176.232 174.600 0.019 0.000 1.336 195 S CA 0.862 59.095 58.200 0.054 0.000 1.037 195 S CB 0.871 64.157 63.200 0.144 0.000 0.853 195 S HN 0.478 nan 8.310 nan 0.000 0.523 196 G N 1.488 110.291 108.800 0.006 0.000 2.245 196 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 196 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 196 G C 0.450 175.400 174.900 0.084 0.000 0.985 196 G CA 0.155 45.264 45.100 0.015 0.000 0.625 196 G HN 1.136 nan 8.290 nan 0.000 0.536 197 G N 0.623 109.480 108.800 0.096 0.000 2.599 197 G HA2 0.598 4.558 3.960 -0.000 0.000 0.264 197 G HA3 0.598 4.558 3.960 -0.000 0.000 0.264 197 G C -2.031 172.974 174.900 0.175 0.000 1.200 197 G CA -0.261 44.912 45.100 0.121 0.000 0.896 197 G HN 0.366 nan 8.290 nan 0.000 0.536 198 P HA 0.313 nan 4.420 nan 0.000 0.292 198 P C -1.476 175.985 177.300 0.270 0.000 1.283 198 P CA -0.569 62.663 63.100 0.220 0.000 0.835 198 P CB 1.619 33.416 31.700 0.161 0.000 1.017 199 F N 4.906 124.963 119.950 0.178 0.000 2.361 199 F HA 0.416 4.942 4.527 -0.001 0.000 0.364 199 F C -0.570 175.307 175.800 0.128 0.000 1.117 199 F CA -0.550 57.530 58.000 0.134 0.000 1.071 199 F CB 0.819 39.850 39.000 0.052 0.000 1.188 199 F HN 0.179 nan 8.300 nan 0.000 0.464 200 V N 4.529 124.326 119.914 -0.196 0.000 2.864 200 V HA 0.721 4.841 4.120 -0.000 0.000 0.314 200 V C -0.789 175.291 176.094 -0.023 0.000 1.073 200 V CA -0.974 61.321 62.300 -0.007 0.000 0.956 200 V CB 2.083 33.964 31.823 0.097 0.000 1.023 200 V HN 0.831 nan 8.190 nan 0.000 0.435 201 M N 2.748 122.395 119.600 0.078 0.000 2.446 201 M HA 0.532 5.012 4.480 -0.000 0.000 0.294 201 M C -0.869 175.288 176.300 -0.238 0.000 1.158 201 M CA -0.556 54.710 55.300 -0.056 0.000 0.899 201 M CB 2.741 35.319 32.600 -0.037 0.000 1.687 201 M HN 0.788 nan 8.290 nan 0.000 0.455 202 K N 1.473 121.478 120.400 -0.659 0.000 2.253 202 K HA 0.347 4.666 4.320 -0.000 0.000 0.277 202 K C 0.288 176.635 176.600 -0.421 0.000 1.053 202 K CA -0.097 55.619 56.287 -0.952 0.000 0.892 202 K CB 1.460 33.007 32.500 -1.589 0.000 1.102 202 K HN 0.777 nan 8.250 nan 0.000 0.469 203 S N 3.865 119.446 115.700 -0.200 0.000 2.118 203 S HA -0.183 4.286 4.470 -0.000 0.000 0.160 203 S C 0.875 175.397 174.600 -0.130 0.000 1.407 203 S CA 1.372 59.509 58.200 -0.104 0.000 2.425 203 S CB -0.408 62.828 63.200 0.060 0.000 0.270 203 S HN 1.033 nan 8.310 nan 0.000 0.349 204 N N 0.643 119.350 118.700 0.012 0.000 2.231 204 N HA -0.400 4.340 4.740 -0.000 0.000 0.232 204 N C 0.266 175.788 175.510 0.019 0.000 1.357 204 N CA 1.288 54.357 53.050 0.032 0.000 0.795 204 N CB -1.412 37.119 38.487 0.073 0.000 1.266 204 N HN 0.679 nan 8.380 nan 0.000 0.616 205 N N -1.283 117.407 118.700 -0.016 0.000 2.863 205 N HA -0.175 4.565 4.740 -0.000 0.000 0.245 205 N C -0.811 174.659 175.510 -0.067 0.000 1.001 205 N CA 1.462 54.482 53.050 -0.051 0.000 0.901 205 N CB -0.592 37.889 38.487 -0.010 0.000 1.124 205 N HN 0.562 nan 8.380 nan 0.000 0.582 206 R N -0.948 119.526 120.500 -0.044 0.000 2.500 206 R HA 0.380 4.720 4.340 -0.000 0.000 0.277 206 R C -0.508 175.646 176.300 -0.243 0.000 1.026 206 R CA -0.444 55.598 56.100 -0.097 0.000 1.058 206 R CB 0.545 30.736 30.300 -0.182 0.000 1.078 206 R HN 0.102 nan 8.270 nan 0.000 0.509 207 W N 1.669 122.826 121.300 -0.239 0.000 2.338 207 W HA 0.274 4.934 4.660 -0.000 0.000 0.307 207 W C -0.568 175.627 176.519 -0.540 0.000 1.167 207 W CA 0.044 57.213 57.345 -0.294 0.000 1.208 207 W CB 0.538 29.756 29.460 -0.402 0.000 1.228 207 W HN 0.403 nan 8.180 nan 0.000 0.499 208 Y N 1.433 121.691 120.300 -0.071 0.000 2.393 208 Y HA 0.218 4.767 4.550 -0.000 0.000 0.341 208 Y C 0.273 176.137 175.900 -0.059 0.000 0.988 208 Y CA -1.254 56.798 58.100 -0.081 0.000 1.078 208 Y CB 1.755 40.179 38.460 -0.061 0.000 1.203 208 Y HN 0.296 nan 8.280 nan 0.000 0.453 209 Q N 3.756 123.600 119.800 0.073 0.000 2.441 209 Q HA 0.171 4.511 4.340 -0.000 0.000 0.234 209 Q C 0.194 176.326 176.000 0.220 0.000 1.078 209 Q CA -0.436 55.427 55.803 0.100 0.000 0.907 209 Q CB 0.561 29.322 28.738 0.037 0.000 1.269 209 Q HN 0.787 nan 8.270 nan 0.000 0.502 210 M N 1.596 121.372 119.600 0.293 0.000 2.288 210 M HA 0.183 4.663 4.480 -0.000 0.000 0.266 210 M C 0.874 177.421 176.300 0.411 0.000 1.072 210 M CA 0.810 56.280 55.300 0.284 0.000 1.132 210 M CB -0.444 32.294 32.600 0.231 0.000 1.386 210 M HN 0.564 nan 8.290 nan 0.000 0.432 211 G N -0.323 108.787 108.800 0.516 0.000 2.708 211 G HA2 0.695 4.655 3.960 -0.000 0.000 0.289 211 G HA3 0.695 4.655 3.960 -0.000 0.000 0.289 211 G C -1.485 173.639 174.900 0.373 0.000 1.416 211 G CA -0.699 44.646 45.100 0.409 0.000 0.829 211 G HN 0.133 nan 8.290 nan 0.000 0.480 212 I N 0.555 121.292 120.570 0.278 0.000 2.433 212 I HA 0.287 4.457 4.170 -0.000 0.000 0.292 212 I C 0.034 176.252 176.117 0.168 0.000 1.001 212 I CA -1.090 60.347 61.300 0.228 0.000 1.119 212 I CB 2.271 40.355 38.000 0.140 0.000 1.289 212 I HN 0.107 nan 8.210 nan 0.000 0.438 213 V N 5.062 125.057 119.914 0.135 0.000 2.458 213 V HA -0.056 4.064 4.120 -0.000 0.000 0.287 213 V C 1.029 177.056 176.094 -0.113 0.000 1.009 213 V CA 0.724 62.931 62.300 -0.156 0.000 1.091 213 V CB 0.856 32.655 31.823 -0.039 0.000 0.960 213 V HN 0.978 nan 8.190 nan 0.000 0.476 214 S N 3.747 119.309 115.700 -0.230 0.000 2.517 214 S HA 0.439 4.908 4.470 -0.000 0.000 0.228 214 S C 0.714 175.284 174.600 -0.049 0.000 1.060 214 S CA 0.558 58.754 58.200 -0.007 0.000 0.937 214 S CB 0.348 63.539 63.200 -0.014 0.000 0.840 214 S HN 1.041 nan 8.310 nan 0.000 0.546 215 A N 1.081 123.782 122.820 -0.198 0.000 2.768 215 A HA 0.654 4.974 4.320 -0.000 0.000 0.298 215 A C 0.157 177.515 177.584 -0.377 0.000 1.159 215 A CA -0.217 51.682 52.037 -0.230 0.000 0.783 215 A CB 0.313 19.231 19.000 -0.136 0.000 1.333 215 A HN 0.529 nan 8.150 nan 0.000 0.412 216 G N 0.778 109.408 108.800 -0.284 0.000 2.614 216 G HA2 0.598 4.558 3.960 -0.000 0.000 0.239 216 G HA3 0.598 4.558 3.960 -0.000 0.000 0.239 216 G C 0.409 175.163 174.900 -0.243 0.000 1.240 216 G CA 0.464 45.414 45.100 -0.249 0.000 0.842 216 G HN 1.527 nan 8.290 nan 0.000 0.584 220 c N -1.000 117.586 118.600 -0.024 0.000 5.885 220 c HA -0.212 4.358 4.570 -0.000 0.000 0.328 220 c C 1.496 175.567 174.090 -0.032 0.000 2.433 220 c CA 1.737 58.047 56.329 -0.031 0.000 2.197 220 c CB -1.751 40.733 42.510 -0.042 0.000 3.236 220 c HN 1.332 nan 8.230 nan 0.000 0.260 221 R N 0.780 121.254 120.500 -0.044 0.000 3.420 221 R HA -0.188 4.152 4.340 -0.000 0.000 0.106 221 R C -0.130 176.137 176.300 -0.055 0.000 1.199 221 R CA 1.323 57.392 56.100 -0.053 0.000 0.841 221 R CB 0.171 30.420 30.300 -0.085 0.000 1.971 221 R HN 0.725 nan 8.270 nan 0.000 0.170 222 K N 1.153 121.529 120.400 -0.041 0.000 2.168 222 K HA 0.499 4.819 4.320 -0.000 0.000 0.258 222 K C 0.480 177.039 176.600 -0.068 0.000 1.010 222 K CA 0.320 56.584 56.287 -0.038 0.000 0.929 222 K CB 1.122 33.614 32.500 -0.013 0.000 0.998 222 K HN 0.831 nan 8.250 nan 0.000 0.479 223 G N 0.487 109.242 108.800 -0.074 0.000 2.335 223 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.592 223 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.592 223 G C -0.322 174.472 174.900 -0.176 0.000 1.442 223 G CA -0.767 44.268 45.100 -0.109 0.000 0.976 223 G HN 0.396 nan 8.290 nan 0.000 0.652 224 K N -0.764 119.469 120.400 -0.278 0.000 2.313 224 K HA 0.237 4.557 4.320 -0.000 0.000 0.197 224 K C 0.165 176.368 176.600 -0.660 0.000 1.061 224 K CA 0.970 56.935 56.287 -0.535 0.000 0.980 224 K CB 0.391 32.396 32.500 -0.825 0.000 0.888 224 K HN 0.530 nan 8.250 nan 0.000 0.502 225 Y N 0.146 120.436 120.300 -0.017 0.000 2.562 225 Y HA 0.595 5.145 4.550 -0.000 0.000 0.343 225 Y C 0.808 176.561 175.900 -0.245 0.000 1.025 225 Y CA -1.604 56.483 58.100 -0.022 0.000 1.082 225 Y CB 1.201 39.724 38.460 0.105 0.000 1.264 225 Y HN -0.063 nan 8.280 nan 0.000 0.478 226 G N 0.696 109.516 108.800 0.034 0.000 2.425 226 G HA2 0.565 4.524 3.960 -0.000 0.000 0.302 226 G HA3 0.565 4.524 3.960 -0.000 0.000 0.302 226 G C -1.415 173.421 174.900 -0.107 0.000 1.159 226 G CA -0.573 44.387 45.100 -0.233 0.000 0.865 226 G HN 0.455 nan 8.290 nan 0.000 0.515 227 F N 0.162 119.976 119.950 -0.228 0.000 2.443 227 F HA 0.504 5.031 4.527 -0.001 0.000 0.335 227 F C -0.624 174.824 175.800 -0.588 0.000 1.104 227 F CA -0.854 57.003 58.000 -0.239 0.000 1.013 227 F CB 2.002 40.907 39.000 -0.159 0.000 1.136 227 F HN 0.264 nan 8.300 nan 0.000 0.470 228 Y N -0.032 120.088 120.300 -0.300 0.000 2.477 228 Y HA 0.317 4.868 4.550 0.001 0.000 0.347 228 Y C 0.050 175.680 175.900 -0.449 0.000 0.981 228 Y CA -1.380 56.407 58.100 -0.520 0.000 1.033 228 Y CB 2.035 39.816 38.460 -1.132 0.000 1.245 228 Y HN 0.413 nan 8.280 nan 0.000 0.455 229 T N 2.803 117.312 114.554 -0.076 0.000 2.779 229 T HA -0.018 4.332 4.350 -0.000 0.000 0.296 229 T C -0.107 174.667 174.700 0.122 0.000 0.938 229 T CA -0.219 61.895 62.100 0.023 0.000 1.119 229 T CB -0.254 68.645 68.868 0.052 0.000 0.891 229 T HN 0.471 nan 8.240 nan 0.000 0.526 230 H N 4.963 124.104 119.070 0.119 0.000 3.362 230 H HA 0.079 4.635 4.556 -0.000 0.000 0.248 230 H C 1.143 176.621 175.328 0.249 0.000 1.276 230 H CA -0.512 55.724 56.048 0.312 0.000 1.520 230 H CB -0.329 29.606 29.762 0.288 0.000 1.624 230 H HN 0.413 nan 8.280 nan 0.000 0.502 231 V N 5.884 126.040 119.914 0.404 0.000 2.278 231 V HA -0.344 3.775 4.120 -0.000 0.000 0.251 231 V C 2.249 178.569 176.094 0.377 0.000 1.062 231 V CA 2.167 64.671 62.300 0.340 0.000 1.038 231 V CB -0.970 31.026 31.823 0.290 0.000 0.646 231 V HN 0.606 nan 8.190 nan 0.000 0.447 232 F N 1.434 121.606 119.950 0.369 0.000 2.095 232 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 232 F C 2.567 178.482 175.800 0.192 0.000 1.104 232 F CA 1.747 59.913 58.000 0.277 0.000 1.232 232 F CB -0.396 38.783 39.000 0.299 0.000 0.987 232 F HN -0.006 nan 8.300 nan 0.000 0.475 233 R N 0.176 120.705 120.500 0.048 0.000 2.293 233 R HA -0.064 4.276 4.340 -0.000 0.000 0.219 233 R C 1.207 177.429 176.300 -0.131 0.000 1.091 233 R CA 0.951 56.917 56.100 -0.224 0.000 1.004 233 R CB -0.456 29.678 30.300 -0.277 0.000 0.865 233 R HN 0.388 nan 8.270 nan 0.000 0.469 234 L N -0.174 121.046 121.223 -0.005 0.000 3.014 234 L HA 0.172 4.512 4.340 -0.000 0.000 0.263 234 L C 1.813 178.770 176.870 0.144 0.000 1.207 234 L CA -0.116 54.789 54.840 0.109 0.000 1.017 234 L CB 0.248 42.407 42.059 0.168 0.000 1.360 234 L HN -0.025 nan 8.230 nan 0.000 0.560 235 K N 0.814 121.192 120.400 -0.036 0.000 2.148 235 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 235 K C 2.044 178.614 176.600 -0.049 0.000 1.050 235 K CA 1.098 57.360 56.287 -0.042 0.000 0.942 235 K CB 0.235 32.651 32.500 -0.139 0.000 0.724 235 K HN 0.253 nan 8.250 nan 0.000 0.446 236 R N -0.752 119.710 120.500 -0.063 0.000 2.075 236 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 236 R C 1.983 178.279 176.300 -0.006 0.000 1.126 236 R CA 1.771 57.843 56.100 -0.046 0.000 0.963 236 R CB -0.373 29.902 30.300 -0.040 0.000 0.858 236 R HN 0.376 nan 8.270 nan 0.000 0.435 237 W N 1.445 122.695 121.300 -0.085 0.000 2.358 237 W HA -0.107 4.552 4.660 -0.001 0.000 0.303 237 W C 1.546 177.988 176.519 -0.129 0.000 1.208 237 W CA 1.198 58.488 57.345 -0.091 0.000 1.274 237 W CB -0.235 29.210 29.460 -0.025 0.000 1.138 237 W HN -0.065 nan 8.180 nan 0.000 0.515 238 I N 0.551 121.035 120.570 -0.144 0.000 2.208 238 I HA -0.384 3.786 4.170 -0.000 0.000 0.245 238 I C 2.647 178.448 176.117 -0.528 0.000 1.097 238 I CA 2.053 63.093 61.300 -0.434 0.000 1.363 238 I CB -0.840 37.078 38.000 -0.137 0.000 1.051 238 I HN 0.196 nan 8.210 nan 0.000 0.413 239 Q N 1.559 121.158 119.800 -0.334 0.000 1.993 239 Q HA -0.276 4.063 4.340 -0.000 0.000 0.202 239 Q C 2.351 178.131 176.000 -0.368 0.000 0.984 239 Q CA 1.828 57.445 55.803 -0.309 0.000 0.837 239 Q CB -0.125 28.500 28.738 -0.188 0.000 0.902 239 Q HN 0.279 nan 8.270 nan 0.000 0.423 240 K N -0.231 119.968 120.400 -0.336 0.000 2.089 240 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 240 K C 1.912 178.251 176.600 -0.435 0.000 1.048 240 K CA 1.817 57.912 56.287 -0.321 0.000 0.926 240 K CB -0.133 32.216 32.500 -0.252 0.000 0.714 240 K HN 0.198 nan 8.250 nan 0.000 0.448 241 V N 1.515 121.025 119.914 -0.673 0.000 2.270 241 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 241 V C 2.365 178.074 176.094 -0.641 0.000 1.043 241 V CA 1.811 63.663 62.300 -0.747 0.000 1.014 241 V CB -0.311 30.841 31.823 -1.118 0.000 0.645 241 V HN 0.311 nan 8.190 nan 0.000 0.447 242 I N 0.065 120.188 120.570 -0.744 0.000 2.208 242 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 242 I C 2.343 178.158 176.117 -0.504 0.000 1.097 242 I CA 1.559 62.462 61.300 -0.661 0.000 1.363 242 I CB -0.570 36.942 38.000 -0.814 0.000 1.051 242 I HN 0.349 nan 8.210 nan 0.000 0.413 243 D N 0.545 120.675 120.400 -0.449 0.000 2.087 243 D HA -0.282 4.357 4.640 -0.000 0.000 0.192 243 D C 2.075 178.103 176.300 -0.454 0.000 0.993 243 D CA 1.611 55.365 54.000 -0.409 0.000 0.828 243 D CB -0.405 40.230 40.800 -0.276 0.000 0.968 243 D HN 0.445 nan 8.370 nan 0.000 0.448 244 Q N -0.635 118.977 119.800 -0.313 0.000 2.436 244 Q HA -0.109 4.231 4.340 -0.000 0.000 0.209 244 Q C -0.057 175.923 176.000 -0.032 0.000 0.965 244 Q CA 0.277 55.974 55.803 -0.176 0.000 0.910 244 Q CB 0.041 28.702 28.738 -0.129 0.000 0.980 244 Q HN 0.103 nan 8.270 nan 0.000 0.491 245 F N -0.709 119.177 119.950 -0.106 0.000 3.043 245 F HA -0.175 4.352 4.527 -0.000 0.000 0.290 245 F C 0.748 176.409 175.800 -0.232 0.000 0.844 245 F CA 1.231 59.211 58.000 -0.033 0.000 1.184 245 F CB -1.802 37.244 39.000 0.078 0.000 1.246 245 F HN 0.431 nan 8.300 nan 0.000 0.536 246 G N 0.000 108.626 108.800 -0.290 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 44.909 45.100 -0.318 0.000 0.502 246 G HN 0.000 nan 8.290 nan 0.000 0.925