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 2dds_1_D DATA FIRST_RESID 7 DATA SEQUENCE NDTLKVMTHN VYMLSTNLYP NWGQTERADL IGAADYIKNQ DVVILNEVFD DATA SEQUENCE NSASDRLLGN LKKEYPNQTA VLGRSSGSEW DKTLGNYSSS TPEDGGVAIV DATA SEQUENCE SKWPIAEKIQ YVFAKGCXXX NLSNKGFVYT KIKKNDRFVH VIGTHLQAED DATA SEQUENCE SXXXXXSPAS VRTNQLKEIQ DFIKNKNIPN NEYVLIGGDM NVNKINAENN DATA SEQUENCE NDSEYASMFK TLNASVPSYT GHTATWDATT NSIAKYNFPD SPAEYLDYII DATA SEQUENCE ASKDHANPSY IENKVLQPKS PQWTVTSWFQ KYTYNDYSDH YPVEATISM 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.499 175.510 -0.018 0.000 1.280 7 N CA 0.000 53.054 53.050 0.007 0.000 0.885 7 N CB 0.000 38.503 38.487 0.026 0.000 1.341 8 D N 1.012 121.405 120.400 -0.012 0.000 2.755 8 D HA 0.156 4.796 4.640 0.000 0.000 0.257 8 D C -0.309 175.972 176.300 -0.031 0.000 1.291 8 D CA 0.334 54.322 54.000 -0.020 0.000 0.836 8 D CB 0.896 41.695 40.800 -0.002 0.000 1.059 8 D HN 0.159 nan 8.370 nan 0.000 0.486 9 T N 1.017 115.554 114.554 -0.028 0.000 2.848 9 T HA 0.423 4.773 4.350 0.000 0.000 0.285 9 T C -0.716 173.965 174.700 -0.032 0.000 0.995 9 T CA -0.556 61.530 62.100 -0.023 0.000 0.970 9 T CB 2.202 71.078 68.868 0.013 0.000 0.976 9 T HN -0.043 nan 8.240 nan 0.000 0.441 10 L N 3.509 124.697 121.223 -0.058 0.000 2.341 10 L HA 0.672 5.012 4.340 0.000 0.000 0.278 10 L C -1.009 175.864 176.870 0.004 0.000 1.005 10 L CA -0.454 54.357 54.840 -0.048 0.000 0.818 10 L CB 0.971 42.955 42.059 -0.124 0.000 1.259 10 L HN 0.279 nan 8.230 nan 0.000 0.418 11 K N 4.933 125.366 120.400 0.055 0.000 2.394 11 K HA 0.635 4.955 4.320 0.000 0.000 0.260 11 K C -1.421 175.222 176.600 0.073 0.000 0.967 11 K CA -0.461 55.869 56.287 0.070 0.000 0.855 11 K CB 2.031 34.589 32.500 0.096 0.000 1.101 11 K HN 0.441 nan 8.250 nan 0.000 0.433 12 V N 3.868 123.814 119.914 0.053 0.000 2.656 12 V HA 0.515 4.636 4.120 0.000 0.000 0.307 12 V C -0.303 175.816 176.094 0.042 0.000 1.051 12 V CA -0.928 61.399 62.300 0.043 0.000 0.893 12 V CB 2.125 33.973 31.823 0.041 0.000 0.999 12 V HN 0.764 nan 8.190 nan 0.000 0.426 13 M N 3.222 122.835 119.600 0.021 0.000 2.535 13 M HA 0.737 5.217 4.480 0.000 0.000 0.314 13 M C -0.858 175.460 176.300 0.030 0.000 1.153 13 M CA -0.088 55.231 55.300 0.032 0.000 0.924 13 M CB 2.430 35.047 32.600 0.027 0.000 1.710 13 M HN 0.735 nan 8.290 nan 0.000 0.451 14 T N 2.267 116.854 114.554 0.055 0.000 2.893 14 T HA 0.486 4.836 4.350 0.000 0.000 0.293 14 T C -2.076 172.696 174.700 0.120 0.000 1.027 14 T CA -0.325 61.813 62.100 0.064 0.000 0.988 14 T CB 0.908 69.812 68.868 0.060 0.000 1.043 14 T HN 0.876 nan 8.240 nan 0.000 0.461 15 H N 3.836 122.893 119.070 -0.023 0.000 3.042 15 H HA 0.315 4.871 4.556 0.000 0.000 0.345 15 H C -1.023 174.247 175.328 -0.096 0.000 1.052 15 H CA -0.833 55.204 56.048 -0.019 0.000 1.311 15 H CB 1.130 30.931 29.762 0.066 0.000 1.810 15 H HN 0.521 nan 8.280 nan 0.000 0.505 16 N N 4.585 123.249 118.700 -0.060 0.000 2.415 16 N HA 0.002 4.742 4.740 0.000 0.000 0.246 16 N C 0.891 176.170 175.510 -0.385 0.000 1.078 16 N CA 0.019 52.862 53.050 -0.344 0.000 0.942 16 N CB 1.163 39.239 38.487 -0.686 0.000 1.140 16 N HN 0.506 nan 8.380 nan 0.000 0.501 17 V N 2.574 122.256 119.914 -0.387 0.000 3.646 17 V HA 0.118 4.238 4.120 0.000 0.000 0.277 17 V C 0.506 176.543 176.094 -0.095 0.000 1.274 17 V CA -0.286 61.801 62.300 -0.354 0.000 1.164 17 V CB -1.922 29.731 31.823 -0.284 0.000 0.926 17 V HN 0.665 nan 8.190 nan 0.000 0.442 18 Y N 1.029 121.196 120.300 -0.222 0.000 3.001 18 Y HA -0.271 4.279 4.550 0.000 0.000 0.199 18 Y C 0.341 176.162 175.900 -0.132 0.000 1.320 18 Y CA 0.414 58.420 58.100 -0.158 0.000 0.974 18 Y CB -1.388 36.963 38.460 -0.182 0.000 1.291 18 Y HN 0.520 nan 8.280 nan 0.000 0.465 19 M N 3.911 123.418 119.600 -0.155 0.000 2.986 19 M HA 0.277 4.757 4.480 0.000 0.000 0.241 19 M C -0.143 176.156 176.300 -0.003 0.000 1.191 19 M CA -0.292 54.930 55.300 -0.129 0.000 1.143 19 M CB 0.095 32.644 32.600 -0.085 0.000 1.242 19 M HN 0.184 nan 8.290 nan 0.000 0.543 20 L N 0.383 121.536 121.223 -0.117 0.000 2.482 20 L HA 0.106 4.446 4.340 0.000 0.000 0.273 20 L C 1.187 178.149 176.870 0.153 0.000 1.228 20 L CA 0.022 54.899 54.840 0.062 0.000 0.827 20 L CB 0.477 42.442 42.059 -0.156 0.000 1.099 20 L HN 0.464 nan 8.230 nan 0.000 0.494 21 S N 0.042 115.856 115.700 0.190 0.000 2.546 21 S HA -0.021 4.450 4.470 0.000 0.000 0.290 21 S C 1.331 176.032 174.600 0.168 0.000 1.290 21 S CA -0.173 58.119 58.200 0.153 0.000 1.069 21 S CB 0.611 63.870 63.200 0.098 0.000 0.846 21 S HN 0.767 nan 8.310 nan 0.000 0.495 22 T N 2.451 117.080 114.554 0.125 0.000 3.051 22 T HA -0.047 4.303 4.350 0.000 0.000 0.269 22 T C 1.265 176.013 174.700 0.080 0.000 1.127 22 T CA 1.279 63.450 62.100 0.118 0.000 1.107 22 T CB -0.602 68.318 68.868 0.087 0.000 0.898 22 T HN 0.753 nan 8.240 nan 0.000 0.517 23 N N 0.539 119.273 118.700 0.057 0.000 2.354 23 N HA 0.183 4.923 4.740 0.000 0.000 0.179 23 N C 1.500 176.997 175.510 -0.023 0.000 1.021 23 N CA 0.613 53.675 53.050 0.020 0.000 0.887 23 N CB -0.078 38.418 38.487 0.015 0.000 0.974 23 N HN 0.366 nan 8.380 nan 0.000 0.437 24 L N -1.257 119.941 121.223 -0.041 0.000 2.425 24 L HA 0.140 4.480 4.340 0.000 0.000 0.215 24 L C -0.319 176.261 176.870 -0.484 0.000 1.065 24 L CA 0.343 55.038 54.840 -0.242 0.000 0.842 24 L CB 0.362 42.282 42.059 -0.232 0.000 1.033 24 L HN 0.108 nan 8.230 nan 0.000 0.474 25 Y N -0.450 119.914 120.300 0.107 0.000 2.787 25 Y HA 0.298 4.848 4.550 0.000 0.000 0.352 25 Y C -1.892 174.082 175.900 0.123 0.000 1.027 25 Y CA -2.023 56.174 58.100 0.162 0.000 1.219 25 Y CB 0.488 39.127 38.460 0.298 0.000 1.110 25 Y HN -0.097 nan 8.280 nan 0.000 0.614 26 P HA -0.107 nan 4.420 nan 0.000 0.218 26 P C -0.185 177.168 177.300 0.087 0.000 1.149 26 P CA 1.469 64.629 63.100 0.100 0.000 0.817 26 P CB 0.299 32.036 31.700 0.062 0.000 0.785 27 N N -1.815 116.908 118.700 0.039 0.000 2.761 27 N HA 0.167 4.907 4.740 0.000 0.000 0.317 27 N C -0.542 174.914 175.510 -0.089 0.000 1.546 27 N CA -0.220 52.808 53.050 -0.037 0.000 1.015 27 N CB -0.433 37.966 38.487 -0.147 0.000 1.343 27 N HN 0.175 nan 8.380 nan 0.000 0.504 28 W N -0.109 121.263 121.300 0.120 0.000 2.771 28 W HA 0.284 4.944 4.660 0.000 0.000 0.412 28 W C 1.059 177.603 176.519 0.042 0.000 0.965 28 W CA -0.752 56.663 57.345 0.117 0.000 2.045 28 W CB 0.778 30.244 29.460 0.010 0.000 1.176 28 W HN 0.310 nan 8.180 nan 0.000 0.634 29 G N 1.512 110.472 108.800 0.267 0.000 2.321 29 G HA2 -0.436 3.525 3.960 0.000 0.000 0.287 29 G HA3 -0.436 3.525 3.960 0.000 0.000 0.287 29 G C 0.832 175.642 174.900 -0.151 0.000 1.018 29 G CA 0.894 46.006 45.100 0.020 0.000 0.855 29 G HN 0.349 nan 8.290 nan 0.000 0.507 30 Q N -0.593 119.190 119.800 -0.028 0.000 2.061 30 Q HA -0.063 4.277 4.340 0.000 0.000 0.204 30 Q C 2.877 178.838 176.000 -0.065 0.000 0.984 30 Q CA 2.507 58.276 55.803 -0.057 0.000 0.846 30 Q CB -0.484 28.256 28.738 0.004 0.000 0.902 30 Q HN 0.561 nan 8.270 nan 0.000 0.421 31 T N 0.351 114.887 114.554 -0.029 0.000 2.674 31 T HA -0.202 4.149 4.350 0.000 0.000 0.265 31 T C 1.669 176.344 174.700 -0.040 0.000 1.039 31 T CA 1.508 63.596 62.100 -0.020 0.000 1.150 31 T CB -0.267 68.604 68.868 0.006 0.000 0.864 31 T HN 0.404 nan 8.240 nan 0.000 0.427 32 E N 0.744 120.910 120.200 -0.057 0.000 2.110 32 E HA -0.130 4.221 4.350 0.000 0.000 0.193 32 E C 2.378 178.900 176.600 -0.131 0.000 0.988 32 E CA 0.871 57.232 56.400 -0.065 0.000 0.804 32 E CB 0.040 29.720 29.700 -0.034 0.000 0.745 32 E HN 0.343 nan 8.360 nan 0.000 0.458 33 R N -0.278 120.073 120.500 -0.249 0.000 2.189 33 R HA -0.018 4.322 4.340 0.000 0.000 0.218 33 R C 2.272 178.532 176.300 -0.067 0.000 1.074 33 R CA 0.703 56.661 56.100 -0.236 0.000 0.991 33 R CB -0.095 29.980 30.300 -0.374 0.000 0.883 33 R HN 0.152 nan 8.270 nan 0.000 0.457 34 A N 1.417 124.200 122.820 -0.062 0.000 1.933 34 A HA -0.179 4.141 4.320 0.000 0.000 0.218 34 A C 1.400 178.981 177.584 -0.006 0.000 1.175 34 A CA 1.654 53.673 52.037 -0.030 0.000 0.628 34 A CB -0.197 18.787 19.000 -0.028 0.000 0.814 34 A HN 0.128 nan 8.150 nan 0.000 0.444 35 D N -0.014 120.385 120.400 -0.002 0.000 2.123 35 D HA -0.044 4.596 4.640 0.000 0.000 0.200 35 D C 2.019 178.351 176.300 0.054 0.000 0.976 35 D CA 0.815 54.826 54.000 0.019 0.000 0.831 35 D CB -0.316 40.495 40.800 0.019 0.000 0.974 35 D HN 0.427 nan 8.370 nan 0.000 0.469 36 L N 0.438 121.709 121.223 0.081 0.000 2.017 36 L HA -0.121 4.219 4.340 0.000 0.000 0.208 36 L C 2.511 179.550 176.870 0.281 0.000 1.073 36 L CA 0.882 55.844 54.840 0.203 0.000 0.745 36 L CB -0.388 41.792 42.059 0.202 0.000 0.894 36 L HN 0.017 nan 8.230 nan 0.000 0.432 37 I N -0.022 120.671 120.570 0.206 0.000 2.226 37 I HA -0.197 3.973 4.170 0.000 0.000 0.245 37 I C 2.630 178.700 176.117 -0.078 0.000 1.100 37 I CA 1.382 62.691 61.300 0.015 0.000 1.374 37 I CB -0.853 37.167 38.000 0.034 0.000 1.057 37 I HN 0.283 nan 8.210 nan 0.000 0.413 38 G N 0.423 109.211 108.800 -0.020 0.000 2.450 38 G HA2 -0.196 3.765 3.960 0.000 0.000 0.220 38 G HA3 -0.196 3.765 3.960 0.000 0.000 0.220 38 G C 1.591 176.471 174.900 -0.033 0.000 1.130 38 G CA 0.847 45.930 45.100 -0.029 0.000 0.760 38 G HN 0.516 nan 8.290 nan 0.000 0.557 39 A N -0.316 122.502 122.820 -0.003 0.000 2.348 39 A HA 0.761 5.081 4.320 0.000 0.000 0.224 39 A C 1.417 179.004 177.584 0.006 0.000 1.227 39 A CA 0.795 52.837 52.037 0.008 0.000 0.885 39 A CB -0.029 18.997 19.000 0.043 0.000 0.933 39 A HN 0.689 nan 8.150 nan 0.000 0.506 40 A N 0.267 123.063 122.820 -0.040 0.000 2.445 40 A HA 0.342 4.662 4.320 0.000 0.000 0.242 40 A C 0.591 178.090 177.584 -0.141 0.000 1.075 40 A CA 0.091 52.094 52.037 -0.057 0.000 0.777 40 A CB 0.208 19.031 19.000 -0.295 0.000 1.013 40 A HN 0.287 nan 8.150 nan 0.000 0.493 41 D N 0.390 120.786 120.400 -0.005 0.000 2.183 41 D HA -0.133 4.507 4.640 0.000 0.000 0.203 41 D C 1.605 177.887 176.300 -0.030 0.000 0.969 41 D CA 2.095 56.093 54.000 -0.004 0.000 0.842 41 D CB -0.291 40.548 40.800 0.066 0.000 0.957 41 D HN 0.856 nan 8.370 nan 0.000 0.484 42 Y N 0.524 120.815 120.300 -0.016 0.000 2.256 42 Y HA -0.064 4.486 4.550 0.000 0.000 0.288 42 Y C 1.925 177.807 175.900 -0.030 0.000 1.155 42 Y CA 0.748 58.830 58.100 -0.031 0.000 1.203 42 Y CB -0.676 37.747 38.460 -0.061 0.000 0.980 42 Y HN -0.045 nan 8.280 nan 0.000 0.530 43 I N 0.369 120.433 120.570 -0.844 0.000 3.684 43 I HA 0.038 4.208 4.170 0.000 0.000 0.304 43 I C 0.422 176.479 176.117 -0.101 0.000 1.278 43 I CA 0.065 61.045 61.300 -0.533 0.000 1.272 43 I CB -0.184 37.366 38.000 -0.749 0.000 1.029 43 I HN 0.133 nan 8.210 nan 0.000 0.458 44 K N 1.130 121.490 120.400 -0.066 0.000 2.102 44 K HA 0.223 4.543 4.320 0.000 0.000 0.244 44 K C 0.391 177.036 176.600 0.076 0.000 1.021 44 K CA -0.491 55.814 56.287 0.031 0.000 0.913 44 K CB 0.336 32.813 32.500 -0.039 0.000 1.062 44 K HN 0.081 nan 8.250 nan 0.000 0.485 45 N N 0.440 119.173 118.700 0.055 0.000 2.782 45 N HA -0.158 4.583 4.740 0.000 0.000 0.251 45 N C -0.846 174.743 175.510 0.132 0.000 1.101 45 N CA 1.011 54.098 53.050 0.062 0.000 0.764 45 N CB -0.820 37.693 38.487 0.043 0.000 1.122 45 N HN 0.533 nan 8.380 nan 0.000 0.561 46 Q N 0.132 120.082 119.800 0.250 0.000 2.204 46 Q HA 0.349 4.690 4.340 0.000 0.000 0.254 46 Q C 1.007 177.204 176.000 0.328 0.000 0.981 46 Q CA -0.437 55.504 55.803 0.231 0.000 0.897 46 Q CB 1.099 29.915 28.738 0.130 0.000 1.273 46 Q HN 0.004 nan 8.270 nan 0.000 0.464 47 D N -0.485 120.077 120.400 0.269 0.000 2.259 47 D HA 0.090 4.731 4.640 0.000 0.000 0.216 47 D C 0.070 176.560 176.300 0.316 0.000 0.961 47 D CA 0.913 55.145 54.000 0.388 0.000 0.878 47 D CB 0.934 41.952 40.800 0.362 0.000 1.009 47 D HN 0.133 nan 8.370 nan 0.000 0.490 48 V N 1.005 121.003 119.914 0.140 0.000 2.888 48 V HA 0.383 4.503 4.120 0.000 0.000 0.309 48 V C -0.445 175.588 176.094 -0.102 0.000 1.114 48 V CA -0.837 61.479 62.300 0.026 0.000 0.940 48 V CB 3.010 34.864 31.823 0.053 0.000 1.021 48 V HN -0.261 nan 8.190 nan 0.000 0.426 49 V N 4.935 124.719 119.914 -0.217 0.000 2.531 49 V HA 0.537 4.657 4.120 0.000 0.000 0.301 49 V C -0.442 175.578 176.094 -0.123 0.000 1.034 49 V CA -0.394 61.773 62.300 -0.222 0.000 0.865 49 V CB 1.929 33.492 31.823 -0.433 0.000 0.995 49 V HN 0.705 nan 8.190 nan 0.000 0.424 50 I N 5.685 126.224 120.570 -0.053 0.000 2.353 50 I HA 0.463 4.633 4.170 0.000 0.000 0.293 50 I C -0.573 175.529 176.117 -0.025 0.000 0.992 50 I CA -0.322 60.967 61.300 -0.019 0.000 1.268 50 I CB 1.355 39.366 38.000 0.018 0.000 1.387 50 I HN 0.340 nan 8.210 nan 0.000 0.478 51 L N 6.662 127.859 121.223 -0.044 0.000 2.346 51 L HA 0.520 4.860 4.340 0.000 0.000 0.276 51 L C -0.527 176.273 176.870 -0.117 0.000 1.006 51 L CA -0.512 54.282 54.840 -0.076 0.000 0.817 51 L CB 1.723 43.728 42.059 -0.090 0.000 1.272 51 L HN 0.620 nan 8.230 nan 0.000 0.421 52 N N 1.360 119.944 118.700 -0.194 0.000 2.292 52 N HA 0.307 5.047 4.740 0.000 0.000 0.303 52 N C -0.831 174.438 175.510 -0.400 0.000 1.140 52 N CA -0.781 52.091 53.050 -0.297 0.000 0.788 52 N CB 1.717 39.942 38.487 -0.435 0.000 1.361 52 N HN 0.599 nan 8.380 nan 0.000 0.489 53 E N -0.600 119.252 120.200 -0.580 0.000 2.637 53 E HA -0.156 4.194 4.350 0.000 0.000 0.265 53 E C -0.296 175.889 176.600 -0.693 0.000 1.073 53 E CA 0.181 56.033 56.400 -0.913 0.000 0.778 53 E CB -1.398 28.092 29.700 -0.351 0.000 1.362 53 E HN 0.409 nan 8.360 nan 0.000 0.413 54 V N -2.075 117.511 119.914 -0.546 0.000 2.135 54 V HA 0.213 4.334 4.120 0.000 0.000 0.287 54 V C 1.241 177.227 176.094 -0.179 0.000 1.607 54 V CA -0.063 62.080 62.300 -0.261 0.000 1.585 54 V CB -1.164 30.566 31.823 -0.155 0.000 1.470 54 V HN 0.190 nan 8.190 nan 0.000 0.513 55 F N 0.437 120.389 119.950 0.003 0.000 2.128 55 F HA 0.059 4.586 4.527 0.000 0.000 0.295 55 F C 1.665 177.477 175.800 0.019 0.000 1.100 55 F CA 0.726 58.738 58.000 0.019 0.000 1.260 55 F CB 0.042 39.055 39.000 0.022 0.000 1.009 55 F HN 0.442 nan 8.300 nan 0.000 0.476 56 D N 0.713 121.236 120.400 0.205 0.000 2.434 56 D HA -0.036 4.604 4.640 0.000 0.000 0.252 56 D C 0.887 177.238 176.300 0.085 0.000 1.185 56 D CA 0.133 54.208 54.000 0.123 0.000 0.886 56 D CB 0.394 41.245 40.800 0.085 0.000 1.148 56 D HN -0.032 nan 8.370 nan 0.000 0.483 57 N N 1.802 120.551 118.700 0.081 0.000 2.069 57 N HA -0.154 4.586 4.740 0.000 0.000 0.191 57 N C 1.557 177.091 175.510 0.040 0.000 1.031 57 N CA 0.912 53.998 53.050 0.061 0.000 0.852 57 N CB -0.269 38.254 38.487 0.059 0.000 1.018 57 N HN 0.288 nan 8.380 nan 0.000 0.423 58 S N 0.568 116.290 115.700 0.037 0.000 2.355 58 S HA -0.007 4.463 4.470 0.000 0.000 0.222 58 S C 2.064 176.674 174.600 0.017 0.000 1.031 58 S CA 1.121 59.336 58.200 0.025 0.000 0.993 58 S CB -0.359 62.857 63.200 0.026 0.000 0.859 58 S HN 0.517 nan 8.310 nan 0.000 0.453 59 A N 1.671 124.502 122.820 0.018 0.000 1.930 59 A HA -0.066 4.254 4.320 0.000 0.000 0.217 59 A C 2.346 179.926 177.584 -0.007 0.000 1.175 59 A CA 1.820 53.859 52.037 0.003 0.000 0.627 59 A CB -0.859 18.141 19.000 -0.000 0.000 0.815 59 A HN 0.605 nan 8.150 nan 0.000 0.443 60 S N 0.289 115.988 115.700 -0.002 0.000 2.368 60 S HA -0.175 4.295 4.470 0.000 0.000 0.224 60 S C 1.397 175.990 174.600 -0.012 0.000 1.029 60 S CA 1.462 59.653 58.200 -0.015 0.000 0.988 60 S CB -0.527 62.668 63.200 -0.009 0.000 0.838 60 S HN 0.463 nan 8.310 nan 0.000 0.462 61 D N 1.443 121.842 120.400 -0.001 0.000 2.178 61 D HA -0.016 4.624 4.640 0.000 0.000 0.202 61 D C 2.070 178.366 176.300 -0.007 0.000 0.974 61 D CA 0.847 54.844 54.000 -0.004 0.000 0.841 61 D CB -0.350 40.451 40.800 0.002 0.000 0.953 61 D HN 0.523 nan 8.370 nan 0.000 0.478 62 R N 0.173 120.669 120.500 -0.006 0.000 2.066 62 R HA -0.104 4.236 4.340 0.000 0.000 0.232 62 R C 2.186 178.480 176.300 -0.011 0.000 1.131 62 R CA 0.758 56.854 56.100 -0.006 0.000 0.955 62 R CB -0.343 29.955 30.300 -0.004 0.000 0.851 62 R HN 0.116 nan 8.270 nan 0.000 0.432 63 L N 1.059 122.272 121.223 -0.016 0.000 2.017 63 L HA -0.114 4.226 4.340 0.000 0.000 0.208 63 L C 1.946 178.806 176.870 -0.017 0.000 1.073 63 L CA 1.683 56.510 54.840 -0.021 0.000 0.745 63 L CB -0.472 41.567 42.059 -0.033 0.000 0.894 63 L HN 0.257 nan 8.230 nan 0.000 0.432 64 L N -0.524 120.687 121.223 -0.019 0.000 2.079 64 L HA -0.146 4.194 4.340 0.000 0.000 0.210 64 L C 2.531 179.396 176.870 -0.008 0.000 1.081 64 L CA 1.308 56.139 54.840 -0.016 0.000 0.752 64 L CB -1.406 40.640 42.059 -0.023 0.000 0.896 64 L HN 0.491 nan 8.230 nan 0.000 0.433 65 G N -0.253 108.541 108.800 -0.011 0.000 2.422 65 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 65 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 65 G C 1.362 176.257 174.900 -0.008 0.000 1.146 65 G CA 0.585 45.679 45.100 -0.011 0.000 0.769 65 G HN 0.329 nan 8.290 nan 0.000 0.547 66 N N 0.356 119.052 118.700 -0.006 0.000 2.381 66 N HA 0.017 4.758 4.740 0.000 0.000 0.182 66 N C 1.971 177.482 175.510 0.000 0.000 1.025 66 N CA 0.479 53.526 53.050 -0.006 0.000 0.888 66 N CB -0.073 38.410 38.487 -0.006 0.000 0.965 66 N HN 0.309 nan 8.380 nan 0.000 0.438 67 L N -0.000 121.236 121.223 0.021 0.000 2.567 67 L HA 0.106 4.447 4.340 0.000 0.000 0.225 67 L C 2.019 178.934 176.870 0.076 0.000 1.119 67 L CA 0.090 54.980 54.840 0.083 0.000 0.871 67 L CB 0.023 42.152 42.059 0.117 0.000 1.036 67 L HN -0.080 nan 8.230 nan 0.000 0.459 68 K N 1.258 121.669 120.400 0.019 0.000 2.044 68 K HA -0.254 4.066 4.320 0.000 0.000 0.210 68 K C 2.042 178.613 176.600 -0.048 0.000 1.049 68 K CA 1.580 57.863 56.287 -0.006 0.000 0.927 68 K CB -0.040 32.448 32.500 -0.019 0.000 0.713 68 K HN -0.085 nan 8.250 nan 0.000 0.443 69 K N 0.874 121.233 120.400 -0.069 0.000 2.015 69 K HA -0.221 4.099 4.320 0.000 0.000 0.216 69 K C 2.051 178.539 176.600 -0.186 0.000 1.052 69 K CA 2.369 58.590 56.287 -0.109 0.000 0.937 69 K CB -0.322 32.118 32.500 -0.100 0.000 0.719 69 K HN 0.356 nan 8.250 nan 0.000 0.446 70 E N -1.859 118.174 120.200 -0.278 0.000 2.170 70 E HA -0.077 4.273 4.350 0.000 0.000 0.191 70 E C -0.275 175.900 176.600 -0.707 0.000 0.981 70 E CA 0.452 56.519 56.400 -0.555 0.000 0.830 70 E CB 0.248 29.478 29.700 -0.782 0.000 0.775 70 E HN 0.348 nan 8.360 nan 0.000 0.470 71 Y N 0.308 120.549 120.300 -0.099 0.000 2.747 71 Y HA 0.277 4.827 4.550 0.000 0.000 0.362 71 Y C -1.971 173.881 175.900 -0.080 0.000 1.026 71 Y CA -2.417 55.628 58.100 -0.092 0.000 1.135 71 Y CB 1.267 39.684 38.460 -0.071 0.000 1.175 71 Y HN 0.097 nan 8.280 nan 0.000 0.643 72 P HA -0.130 nan 4.420 nan 0.000 0.222 72 P C -0.399 176.897 177.300 -0.005 0.000 1.147 72 P CA 1.029 64.117 63.100 -0.019 0.000 0.790 72 P CB 0.487 32.152 31.700 -0.057 0.000 0.780 73 N N 1.716 120.425 118.700 0.014 0.000 2.406 73 N HA 0.156 4.896 4.740 0.000 0.000 0.251 73 N C 0.104 175.618 175.510 0.007 0.000 1.069 73 N CA 0.189 53.246 53.050 0.012 0.000 0.947 73 N CB 0.922 39.432 38.487 0.038 0.000 1.111 73 N HN 0.336 nan 8.380 nan 0.000 0.497 74 Q N 0.219 120.000 119.800 -0.031 0.000 2.421 74 Q HA 0.393 4.733 4.340 0.000 0.000 0.280 74 Q C -0.113 175.817 176.000 -0.118 0.000 1.085 74 Q CA -0.946 54.825 55.803 -0.054 0.000 0.807 74 Q CB 2.169 30.879 28.738 -0.047 0.000 1.405 74 Q HN 0.559 nan 8.270 nan 0.000 0.419 75 T N -1.990 112.483 114.554 -0.135 0.000 2.912 75 T HA 0.783 5.133 4.350 0.000 0.000 0.280 75 T C 0.265 174.787 174.700 -0.295 0.000 0.989 75 T CA -0.522 61.407 62.100 -0.284 0.000 0.995 75 T CB 1.253 70.018 68.868 -0.171 0.000 1.077 75 T HN 0.648 nan 8.240 nan 0.000 0.531 76 A N 0.783 123.269 122.820 -0.556 0.000 2.249 76 A HA 0.622 4.943 4.320 0.000 0.000 0.281 76 A C 0.135 177.754 177.584 0.059 0.000 1.127 76 A CA -0.797 51.073 52.037 -0.279 0.000 0.833 76 A CB 0.029 18.784 19.000 -0.408 0.000 1.140 76 A HN 0.827 nan 8.150 nan 0.000 0.502 77 V N 1.103 121.116 119.914 0.165 0.000 2.461 77 V HA 0.188 4.309 4.120 0.000 0.000 0.275 77 V C 0.311 176.608 176.094 0.339 0.000 1.047 77 V CA -0.410 62.017 62.300 0.212 0.000 0.955 77 V CB 0.796 32.689 31.823 0.116 0.000 0.988 77 V HN 0.772 nan 8.190 nan 0.000 0.471 78 L N 5.858 127.249 121.223 0.280 0.000 2.678 78 L HA 0.312 4.652 4.340 0.000 0.000 0.285 78 L C 1.276 178.201 176.870 0.091 0.000 1.233 78 L CA 1.859 56.754 54.840 0.092 0.000 0.920 78 L CB -0.236 41.803 42.059 -0.032 0.000 1.176 78 L HN 1.044 nan 8.230 nan 0.000 0.495 79 G N 3.543 112.378 108.800 0.059 0.000 2.155 79 G HA2 -0.387 3.573 3.960 0.000 0.000 0.257 79 G HA3 -0.387 3.573 3.960 0.000 0.000 0.257 79 G C 1.200 176.281 174.900 0.302 0.000 0.983 79 G CA 0.744 45.982 45.100 0.229 0.000 0.676 79 G HN 0.842 nan 8.290 nan 0.000 0.528 80 R N 0.253 120.917 120.500 0.273 0.000 2.223 80 R HA 0.353 4.693 4.340 0.000 0.000 0.198 80 R C 1.218 177.670 176.300 0.253 0.000 0.984 80 R CA 1.514 57.751 56.100 0.228 0.000 1.018 80 R CB 0.144 30.553 30.300 0.182 0.000 0.945 80 R HN 0.797 nan 8.270 nan 0.000 0.479 81 S N -1.784 114.086 115.700 0.285 0.000 2.643 81 S HA 0.294 4.765 4.470 0.000 0.000 0.270 81 S C -0.465 174.150 174.600 0.026 0.000 1.166 81 S CA -0.458 57.869 58.200 0.212 0.000 0.815 81 S CB 1.733 65.030 63.200 0.162 0.000 1.139 81 S HN 0.066 nan 8.310 nan 0.000 0.472 82 S N -1.029 114.640 115.700 -0.052 0.000 2.949 82 S HA 0.561 5.031 4.470 0.000 0.000 0.246 82 S C 0.523 175.105 174.600 -0.030 0.000 0.899 82 S CA -0.291 57.770 58.200 -0.232 0.000 1.091 82 S CB -0.102 62.702 63.200 -0.661 0.000 1.199 82 S HN 1.281 nan 8.310 nan 0.000 0.507 83 G N 1.866 110.706 108.800 0.067 0.000 2.543 83 G HA2 0.448 4.408 3.960 0.000 0.000 0.267 83 G HA3 0.448 4.408 3.960 0.000 0.000 0.267 83 G C 0.914 175.849 174.900 0.059 0.000 1.406 83 G CA -0.061 45.066 45.100 0.044 0.000 1.048 83 G HN 0.703 nan 8.290 nan 0.000 0.548 84 S N -0.273 115.442 115.700 0.025 0.000 2.595 84 S HA -0.084 4.387 4.470 0.000 0.000 0.235 84 S C 1.639 176.229 174.600 -0.016 0.000 0.974 84 S CA 1.398 59.610 58.200 0.019 0.000 0.942 84 S CB -0.167 63.036 63.200 0.006 0.000 0.766 84 S HN 0.694 nan 8.310 nan 0.000 0.536 85 E N 0.169 120.325 120.200 -0.074 0.000 2.409 85 E HA -0.079 4.271 4.350 0.000 0.000 0.198 85 E C -0.477 175.890 176.600 -0.388 0.000 1.024 85 E CA 0.164 56.417 56.400 -0.245 0.000 0.861 85 E CB -0.313 29.188 29.700 -0.333 0.000 0.788 85 E HN 0.810 nan 8.360 nan 0.000 0.521 86 W N 0.856 122.133 121.300 -0.039 0.000 2.702 86 W HA 0.289 4.949 4.660 0.000 0.000 0.331 86 W C 0.643 177.151 176.519 -0.018 0.000 1.049 86 W CA -0.969 56.354 57.345 -0.036 0.000 1.230 86 W CB 1.632 31.043 29.460 -0.083 0.000 1.408 86 W HN -0.256 nan 8.180 nan 0.000 0.492 87 D N 1.452 122.019 120.400 0.279 0.000 2.178 87 D HA -0.051 4.589 4.640 0.000 0.000 0.202 87 D C 0.062 176.453 176.300 0.151 0.000 0.974 87 D CA 1.427 55.534 54.000 0.177 0.000 0.841 87 D CB 0.377 41.285 40.800 0.180 0.000 0.953 87 D HN 0.309 nan 8.370 nan 0.000 0.478 88 K N -0.922 119.578 120.400 0.166 0.000 2.542 88 K HA 0.375 4.695 4.320 0.000 0.000 0.259 88 K C -1.213 175.355 176.600 -0.054 0.000 0.932 88 K CA -0.471 55.854 56.287 0.063 0.000 0.820 88 K CB 2.557 35.103 32.500 0.078 0.000 1.345 88 K HN -0.311 nan 8.250 nan 0.000 0.432 89 T N 3.074 117.535 114.554 -0.155 0.000 2.842 89 T HA 0.437 4.787 4.350 0.000 0.000 0.308 89 T C -0.405 174.113 174.700 -0.303 0.000 1.041 89 T CA -0.576 61.313 62.100 -0.353 0.000 0.964 89 T CB 0.155 68.759 68.868 -0.441 0.000 0.972 89 T HN 0.254 nan 8.240 nan 0.000 0.460 90 L N 2.203 123.196 121.223 -0.384 0.000 2.331 90 L HA 0.869 5.209 4.340 0.000 0.000 0.268 90 L C 1.098 177.538 176.870 -0.717 0.000 1.015 90 L CA -0.816 53.762 54.840 -0.437 0.000 0.807 90 L CB 1.151 43.017 42.059 -0.323 0.000 1.293 90 L HN 0.851 nan 8.230 nan 0.000 0.451 91 G N 0.731 109.063 108.800 -0.781 0.000 2.681 91 G HA2 -0.297 3.663 3.960 0.000 0.000 0.220 91 G HA3 -0.297 3.663 3.960 0.000 0.000 0.220 91 G C -0.135 174.567 174.900 -0.331 0.000 1.353 91 G CA 0.070 44.715 45.100 -0.758 0.000 0.872 91 G HN 0.884 nan 8.290 nan 0.000 0.557 92 N N 0.081 118.644 118.700 -0.228 0.000 2.906 92 N HA 0.151 4.892 4.740 0.000 0.000 0.282 92 N C 0.363 175.814 175.510 -0.098 0.000 1.293 92 N CA -0.266 52.715 53.050 -0.116 0.000 1.059 92 N CB -0.265 38.181 38.487 -0.068 0.000 1.388 92 N HN 0.558 nan 8.380 nan 0.000 0.533 93 Y N 1.084 121.259 120.300 -0.208 0.000 2.597 93 Y HA 0.043 4.593 4.550 0.000 0.000 0.336 93 Y C -0.177 175.654 175.900 -0.115 0.000 1.216 93 Y CA 0.436 58.428 58.100 -0.179 0.000 1.463 93 Y CB 0.766 39.101 38.460 -0.208 0.000 1.303 93 Y HN 0.000 nan 8.280 nan 0.000 0.576 94 S N 2.966 118.076 115.700 -0.983 0.000 2.614 94 S HA 0.298 4.768 4.470 0.000 0.000 0.275 94 S C 0.071 174.164 174.600 -0.846 0.000 1.161 94 S CA -0.216 57.581 58.200 -0.671 0.000 0.969 94 S CB 0.742 63.743 63.200 -0.332 0.000 1.059 94 S HN 0.836 nan 8.310 nan 0.000 0.482 95 S N 2.508 117.911 115.700 -0.494 0.000 2.603 95 S HA 0.019 4.489 4.470 0.000 0.000 0.220 95 S C 1.237 175.749 174.600 -0.147 0.000 0.967 95 S CA 0.578 58.630 58.200 -0.247 0.000 0.920 95 S CB -0.289 62.906 63.200 -0.009 0.000 0.773 95 S HN 0.888 nan 8.310 nan 0.000 0.529 96 S N 1.162 116.765 115.700 -0.162 0.000 2.540 96 S HA 0.128 4.598 4.470 0.000 0.000 0.218 96 S C 0.775 175.315 174.600 -0.100 0.000 0.977 96 S CA -0.074 58.065 58.200 -0.101 0.000 0.918 96 S CB -0.725 62.427 63.200 -0.080 0.000 0.806 96 S HN 0.623 nan 8.310 nan 0.000 0.496 97 T N 0.622 115.094 114.554 -0.137 0.000 2.930 97 T HA 0.332 4.682 4.350 0.000 0.000 0.306 97 T C -1.740 172.917 174.700 -0.072 0.000 1.045 97 T CA -1.067 60.968 62.100 -0.108 0.000 1.134 97 T CB 0.558 69.348 68.868 -0.131 0.000 0.961 97 T HN -0.060 nan 8.240 nan 0.000 0.545 98 P HA 0.080 nan 4.420 nan 0.000 0.220 98 P C 0.191 177.468 177.300 -0.039 0.000 1.148 98 P CA 1.027 64.100 63.100 -0.045 0.000 0.803 98 P CB 0.213 31.884 31.700 -0.048 0.000 0.782 99 E N -0.759 119.412 120.200 -0.048 0.000 2.408 99 E HA 0.276 4.627 4.350 0.000 0.000 0.275 99 E C -1.255 175.363 176.600 0.031 0.000 0.935 99 E CA -1.039 55.346 56.400 -0.026 0.000 0.775 99 E CB 0.946 30.564 29.700 -0.137 0.000 1.277 99 E HN -0.140 nan 8.360 nan 0.000 0.455 100 D N 0.300 120.780 120.400 0.133 0.000 2.447 100 D HA 0.338 4.978 4.640 0.000 0.000 0.265 100 D C 1.109 177.572 176.300 0.272 0.000 1.250 100 D CA -0.180 53.925 54.000 0.175 0.000 1.046 100 D CB 0.383 41.298 40.800 0.192 0.000 1.095 100 D HN 0.475 nan 8.370 nan 0.000 0.555 101 G N -2.250 106.670 108.800 0.201 0.000 2.572 101 G HA2 0.250 4.210 3.960 0.000 0.000 0.216 101 G HA3 0.250 4.210 3.960 0.000 0.000 0.216 101 G C 1.247 176.266 174.900 0.198 0.000 1.133 101 G CA 0.107 45.325 45.100 0.197 0.000 0.791 101 G HN 1.226 nan 8.290 nan 0.000 0.538 102 G N -1.337 107.510 108.800 0.078 0.000 2.168 102 G HA2 -0.210 3.750 3.960 0.000 0.000 0.257 102 G HA3 -0.210 3.750 3.960 0.000 0.000 0.257 102 G C 0.082 174.841 174.900 -0.235 0.000 0.997 102 G CA 0.392 45.282 45.100 -0.348 0.000 0.708 102 G HN 0.823 nan 8.290 nan 0.000 0.520 103 V N -0.079 119.802 119.914 -0.055 0.000 2.555 103 V HA 0.924 5.044 4.120 0.000 0.000 0.302 103 V C 0.396 176.518 176.094 0.046 0.000 1.038 103 V CA -0.043 62.249 62.300 -0.014 0.000 0.887 103 V CB 1.656 33.501 31.823 0.035 0.000 0.991 103 V HN 1.427 nan 8.190 nan 0.000 0.434 104 A N 5.082 127.918 122.820 0.028 0.000 2.606 104 A HA 0.933 5.253 4.320 0.000 0.000 0.293 104 A C -1.408 176.190 177.584 0.024 0.000 1.082 104 A CA -0.510 51.559 52.037 0.054 0.000 0.685 104 A CB 1.612 20.620 19.000 0.013 0.000 1.284 104 A HN 0.687 nan 8.150 nan 0.000 0.408 105 I N 1.247 121.833 120.570 0.027 0.000 2.582 105 I HA 0.590 4.760 4.170 0.000 0.000 0.292 105 I C -0.535 175.563 176.117 -0.032 0.000 1.066 105 I CA -1.066 60.232 61.300 -0.004 0.000 1.053 105 I CB 2.184 40.201 38.000 0.028 0.000 1.241 105 I HN 0.664 nan 8.210 nan 0.000 0.421 106 V N 1.908 121.778 119.914 -0.074 0.000 3.001 106 V HA 0.910 5.031 4.120 0.000 0.000 0.314 106 V C -0.582 175.481 176.094 -0.053 0.000 1.099 106 V CA -0.409 61.854 62.300 -0.062 0.000 0.989 106 V CB 1.899 33.669 31.823 -0.089 0.000 1.040 106 V HN 0.780 nan 8.190 nan 0.000 0.434 107 S N 0.893 116.639 115.700 0.077 0.000 2.565 107 S HA 0.477 4.947 4.470 0.000 0.000 0.269 107 S C 0.064 174.793 174.600 0.215 0.000 1.153 107 S CA -0.144 58.164 58.200 0.180 0.000 0.835 107 S CB 2.110 65.412 63.200 0.170 0.000 1.122 107 S HN 1.152 nan 8.310 nan 0.000 0.462 108 K N 0.515 121.004 120.400 0.149 0.000 2.404 108 K HA 0.213 4.533 4.320 0.000 0.000 0.194 108 K C -0.469 175.876 176.600 -0.425 0.000 1.023 108 K CA -0.301 55.858 56.287 -0.212 0.000 1.094 108 K CB 0.128 32.370 32.500 -0.430 0.000 0.841 108 K HN 0.471 nan 8.250 nan 0.000 0.523 109 W N 1.911 123.237 121.300 0.043 0.000 2.639 109 W HA 0.371 5.031 4.660 0.000 0.000 0.347 109 W C -2.482 174.045 176.519 0.013 0.000 1.067 109 W CA -2.928 54.425 57.345 0.014 0.000 1.218 109 W CB 0.687 30.151 29.460 0.006 0.000 1.393 109 W HN -0.244 nan 8.180 nan 0.000 0.557 110 P HA -0.002 nan 4.420 nan 0.000 0.264 110 P C -0.420 176.975 177.300 0.159 0.000 1.183 110 P CA 0.571 63.770 63.100 0.164 0.000 0.763 110 P CB 0.392 32.184 31.700 0.153 0.000 0.807 111 I N 2.560 123.193 120.570 0.106 0.000 2.312 111 I HA 0.222 4.392 4.170 0.000 0.000 0.290 111 I C 1.263 177.430 176.117 0.083 0.000 1.008 111 I CA -0.308 61.040 61.300 0.081 0.000 1.226 111 I CB 1.508 39.529 38.000 0.036 0.000 1.371 111 I HN 0.387 nan 8.210 nan 0.000 0.468 112 A N 5.169 128.053 122.820 0.106 0.000 2.021 112 A HA 0.055 4.375 4.320 0.000 0.000 0.216 112 A C 0.758 178.381 177.584 0.064 0.000 1.163 112 A CA 0.880 52.976 52.037 0.098 0.000 0.676 112 A CB 0.093 19.162 19.000 0.115 0.000 0.818 112 A HN 0.777 nan 8.150 nan 0.000 0.453 113 E N -0.685 119.555 120.200 0.066 0.000 2.352 113 E HA 0.504 4.854 4.350 0.000 0.000 0.280 113 E C -1.758 174.929 176.600 0.145 0.000 0.930 113 E CA -0.661 55.819 56.400 0.132 0.000 0.765 113 E CB 1.151 30.990 29.700 0.231 0.000 1.219 113 E HN 0.165 nan 8.360 nan 0.000 0.434 114 K N 4.035 124.567 120.400 0.220 0.000 2.507 114 K HA 0.540 4.860 4.320 0.000 0.000 0.252 114 K C -0.991 175.931 176.600 0.535 0.000 0.943 114 K CA -0.445 56.026 56.287 0.307 0.000 0.808 114 K CB 1.586 34.154 32.500 0.112 0.000 1.142 114 K HN 0.400 nan 8.250 nan 0.000 0.426 115 I N 2.861 123.781 120.570 0.583 0.000 2.582 115 I HA 0.185 4.355 4.170 0.000 0.000 0.292 115 I C -0.569 175.503 176.117 -0.074 0.000 1.066 115 I CA -0.908 60.600 61.300 0.347 0.000 1.053 115 I CB 2.407 40.623 38.000 0.359 0.000 1.241 115 I HN 0.598 nan 8.210 nan 0.000 0.421 116 Q N 5.804 125.217 119.800 -0.647 0.000 2.306 116 Q HA 0.557 4.897 4.340 0.000 0.000 0.265 116 Q C -1.888 173.642 176.000 -0.783 0.000 1.022 116 Q CA -0.770 54.405 55.803 -1.047 0.000 0.853 116 Q CB 2.857 30.439 28.738 -1.927 0.000 1.327 116 Q HN 0.650 nan 8.270 nan 0.000 0.449 117 Y N 1.406 121.062 120.300 -1.074 0.000 2.386 117 Y HA 0.483 5.033 4.550 0.000 0.000 0.334 117 Y C -1.705 173.654 175.900 -0.901 0.000 1.002 117 Y CA -0.978 56.468 58.100 -1.090 0.000 1.068 117 Y CB 1.995 39.295 38.460 -1.933 0.000 1.203 117 Y HN 0.581 nan 8.280 nan 0.000 0.443 118 V N 7.396 126.942 119.914 -0.614 0.000 2.370 118 V HA 0.278 4.398 4.120 0.000 0.000 0.283 118 V C -0.144 175.841 176.094 -0.181 0.000 1.023 118 V CA -0.717 61.354 62.300 -0.381 0.000 0.857 118 V CB 0.662 32.350 31.823 -0.224 0.000 0.985 118 V HN 0.680 nan 8.190 nan 0.000 0.443 119 F N 2.519 122.517 119.950 0.080 0.000 2.629 119 F HA 0.086 4.613 4.527 0.000 0.000 0.369 119 F C 1.670 177.499 175.800 0.048 0.000 1.125 119 F CA 0.316 58.403 58.000 0.146 0.000 1.330 119 F CB 0.650 39.720 39.000 0.118 0.000 1.071 119 F HN 0.632 nan 8.300 nan 0.000 0.595 120 A N 2.729 125.723 122.820 0.290 0.000 1.898 120 A HA 0.000 4.320 4.320 0.000 0.000 0.214 120 A C 0.667 178.309 177.584 0.096 0.000 1.183 120 A CA 0.965 53.081 52.037 0.132 0.000 0.622 120 A CB -0.110 18.959 19.000 0.114 0.000 0.824 120 A HN 0.609 nan 8.150 nan 0.000 0.444 121 K N -1.573 118.885 120.400 0.097 0.000 2.185 121 K HA 0.686 5.006 4.320 0.000 0.000 0.240 121 K C 0.001 176.627 176.600 0.044 0.000 0.983 121 K CA 0.370 56.683 56.287 0.044 0.000 0.873 121 K CB 1.732 34.237 32.500 0.008 0.000 1.118 121 K HN 0.399 nan 8.250 nan 0.000 0.441 122 G N -0.616 108.195 108.800 0.019 0.000 2.506 122 G HA2 0.348 4.308 3.960 0.000 0.000 0.292 122 G HA3 0.348 4.308 3.960 0.000 0.000 0.292 122 G C -0.999 173.901 174.900 -0.001 0.000 1.425 122 G CA -0.730 44.378 45.100 0.013 0.000 0.788 122 G HN 0.657 nan 8.290 nan 0.000 0.490 128 L N -0.226 120.972 121.223 -0.041 0.000 2.298 128 L HA 0.241 4.581 4.340 0.000 0.000 0.209 128 L C 0.834 177.662 176.870 -0.070 0.000 1.084 128 L CA 0.636 55.443 54.840 -0.056 0.000 0.816 128 L CB -0.014 42.011 42.059 -0.058 0.000 0.967 128 L HN 0.386 nan 8.230 nan 0.000 0.460 129 S N -1.986 113.681 115.700 -0.055 0.000 2.549 129 S HA 0.340 4.811 4.470 0.000 0.000 0.280 129 S C -0.274 174.320 174.600 -0.011 0.000 1.109 129 S CA -0.851 57.328 58.200 -0.036 0.000 0.905 129 S CB 1.448 64.626 63.200 -0.037 0.000 1.081 129 S HN -0.010 nan 8.310 nan 0.000 0.477 130 N N 2.027 120.720 118.700 -0.011 0.000 3.167 130 N HA 0.079 4.820 4.740 0.000 0.000 0.318 130 N C -0.275 175.217 175.510 -0.029 0.000 1.268 130 N CA 0.202 53.228 53.050 -0.039 0.000 1.197 130 N CB -0.167 38.294 38.487 -0.043 0.000 1.464 130 N HN 0.539 nan 8.380 nan 0.000 0.555 131 K N -0.075 120.332 120.400 0.011 0.000 2.414 131 K HA 0.236 4.557 4.320 0.000 0.000 0.272 131 K C 0.913 177.360 176.600 -0.254 0.000 0.993 131 K CA 0.171 56.464 56.287 0.010 0.000 0.964 131 K CB 0.736 33.319 32.500 0.138 0.000 0.925 131 K HN 0.400 nan 8.250 nan 0.000 0.487 132 G N 1.399 109.865 108.800 -0.557 0.000 2.566 132 G HA2 0.279 4.239 3.960 0.000 0.000 0.138 132 G HA3 0.279 4.239 3.960 0.000 0.000 0.138 132 G C -1.769 172.697 174.900 -0.723 0.000 1.133 132 G CA -0.573 43.632 45.100 -1.492 0.000 1.037 132 G HN 0.562 nan 8.290 nan 0.000 0.491 133 F N -1.062 118.560 119.950 -0.547 0.000 2.662 133 F HA 0.866 5.394 4.527 0.000 0.000 0.312 133 F C -1.149 174.533 175.800 -0.197 0.000 1.113 133 F CA -1.547 56.301 58.000 -0.253 0.000 0.951 133 F CB 1.767 40.667 39.000 -0.168 0.000 1.344 133 F HN 0.457 nan 8.300 nan 0.000 0.462 134 V N 2.525 122.562 119.914 0.205 0.000 2.409 134 V HA 0.344 4.464 4.120 0.000 0.000 0.291 134 V C -1.380 174.923 176.094 0.348 0.000 1.020 134 V CA -0.720 61.684 62.300 0.172 0.000 0.848 134 V CB 1.354 33.310 31.823 0.222 0.000 0.990 134 V HN 0.837 nan 8.190 nan 0.000 0.430 135 Y N 4.553 124.999 120.300 0.243 0.000 2.342 135 Y HA 0.730 5.280 4.550 0.000 0.000 0.334 135 Y C 0.267 176.336 175.900 0.281 0.000 1.067 135 Y CA -0.355 57.924 58.100 0.297 0.000 1.128 135 Y CB 1.814 40.505 38.460 0.385 0.000 1.200 135 Y HN 0.745 nan 8.280 nan 0.000 0.464 136 T N 3.521 117.681 114.554 -0.657 0.000 2.912 136 T HA 0.400 4.750 4.350 0.000 0.000 0.299 136 T C -1.401 172.861 174.700 -0.730 0.000 1.052 136 T CA -1.200 60.594 62.100 -0.510 0.000 0.996 136 T CB 1.729 70.505 68.868 -0.154 0.000 1.070 136 T HN 0.728 nan 8.240 nan 0.000 0.465 137 K N 2.953 123.102 120.400 -0.418 0.000 2.339 137 K HA 0.645 4.965 4.320 0.000 0.000 0.264 137 K C -1.200 175.338 176.600 -0.104 0.000 0.986 137 K CA -0.906 55.205 56.287 -0.294 0.000 0.866 137 K CB 0.730 33.169 32.500 -0.103 0.000 1.103 137 K HN 0.686 nan 8.250 nan 0.000 0.441 138 I N 3.574 124.096 120.570 -0.080 0.000 2.433 138 I HA 0.233 4.403 4.170 0.000 0.000 0.292 138 I C -0.498 175.664 176.117 0.076 0.000 1.001 138 I CA -1.136 60.189 61.300 0.041 0.000 1.119 138 I CB 1.892 39.903 38.000 0.018 0.000 1.289 138 I HN 0.403 nan 8.210 nan 0.000 0.438 139 K N 6.479 126.933 120.400 0.089 0.000 2.231 139 K HA 0.186 4.507 4.320 0.000 0.000 0.275 139 K C -0.450 175.979 176.600 -0.285 0.000 1.105 139 K CA -0.256 55.936 56.287 -0.158 0.000 0.931 139 K CB 0.238 32.658 32.500 -0.133 0.000 1.296 139 K HN 0.408 nan 8.250 nan 0.000 0.446 140 K N 4.231 124.297 120.400 -0.557 0.000 2.292 140 K HA 0.178 4.498 4.320 0.000 0.000 0.270 140 K C -0.710 175.346 176.600 -0.908 0.000 1.062 140 K CA -0.230 55.337 56.287 -1.201 0.000 0.916 140 K CB 0.260 32.083 32.500 -1.128 0.000 1.166 140 K HN 0.649 nan 8.250 nan 0.000 0.458 141 N N 4.986 123.153 118.700 -0.887 0.000 2.671 141 N HA -0.183 4.557 4.740 0.000 0.000 0.261 141 N C -1.066 174.275 175.510 -0.281 0.000 1.053 141 N CA 1.441 54.252 53.050 -0.398 0.000 0.732 141 N CB -0.795 37.489 38.487 -0.337 0.000 0.887 141 N HN 0.958 nan 8.380 nan 0.000 0.546 142 D N -2.427 117.807 120.400 -0.278 0.000 3.059 142 D HA -0.233 4.407 4.640 0.000 0.000 0.220 142 D C 0.315 176.407 176.300 -0.345 0.000 1.169 142 D CA 1.181 55.013 54.000 -0.279 0.000 0.902 142 D CB -0.586 40.121 40.800 -0.155 0.000 1.116 142 D HN 0.681 nan 8.370 nan 0.000 0.417 143 R N 0.003 120.259 120.500 -0.408 0.000 2.575 143 R HA 0.491 4.832 4.340 0.000 0.000 0.293 143 R C -1.108 174.974 176.300 -0.363 0.000 0.983 143 R CA -0.559 55.358 56.100 -0.306 0.000 0.887 143 R CB 0.971 31.172 30.300 -0.167 0.000 1.184 143 R HN -0.196 nan 8.270 nan 0.000 0.445 144 F N 4.754 124.666 119.950 -0.063 0.000 2.404 144 F HA 0.259 4.786 4.527 0.000 0.000 0.358 144 F C 0.584 176.292 175.800 -0.153 0.000 1.120 144 F CA -0.609 57.318 58.000 -0.123 0.000 1.144 144 F CB 1.667 40.620 39.000 -0.078 0.000 1.133 144 F HN 0.214 nan 8.300 nan 0.000 0.495 145 V N 0.922 120.804 119.914 -0.054 0.000 2.881 145 V HA 0.588 4.708 4.120 0.000 0.000 0.316 145 V C -0.763 175.131 176.094 -0.333 0.000 1.070 145 V CA -0.744 61.531 62.300 -0.041 0.000 0.976 145 V CB 1.962 33.799 31.823 0.023 0.000 1.038 145 V HN 0.650 nan 8.190 nan 0.000 0.446 146 H N 1.455 120.575 119.070 0.082 0.000 2.547 146 H HA 0.721 5.277 4.556 0.000 0.000 0.342 146 H C -1.347 173.999 175.328 0.029 0.000 1.048 146 H CA -0.497 55.569 56.048 0.030 0.000 1.204 146 H CB 2.203 32.042 29.762 0.127 0.000 1.493 146 H HN 0.612 nan 8.280 nan 0.000 0.511 147 V N 5.523 125.454 119.914 0.029 0.000 2.483 147 V HA 0.315 4.435 4.120 0.000 0.000 0.297 147 V C 0.118 176.253 176.094 0.069 0.000 1.027 147 V CA -0.563 61.770 62.300 0.056 0.000 0.855 147 V CB 2.020 33.859 31.823 0.027 0.000 0.995 147 V HN 0.610 nan 8.190 nan 0.000 0.424 148 I N 3.862 124.507 120.570 0.125 0.000 2.362 148 I HA 0.641 4.811 4.170 0.000 0.000 0.289 148 I C 0.724 176.909 176.117 0.114 0.000 0.994 148 I CA -0.213 61.178 61.300 0.152 0.000 1.158 148 I CB 1.846 39.899 38.000 0.088 0.000 1.315 148 I HN 0.730 nan 8.210 nan 0.000 0.451 149 G N 3.293 112.181 108.800 0.146 0.000 2.379 149 G HA2 0.633 4.594 3.960 0.000 0.000 0.327 149 G HA3 0.633 4.594 3.960 0.000 0.000 0.327 149 G C -0.793 174.206 174.900 0.165 0.000 1.145 149 G CA -0.210 44.964 45.100 0.124 0.000 0.905 149 G HN 0.485 nan 8.290 nan 0.000 0.466 150 T N -0.743 113.906 114.554 0.160 0.000 2.762 150 T HA 0.593 4.943 4.350 0.000 0.000 0.301 150 T C -1.800 173.052 174.700 0.253 0.000 1.299 150 T CA -0.666 61.570 62.100 0.226 0.000 1.005 150 T CB 1.573 70.620 68.868 0.298 0.000 1.377 150 T HN 0.719 nan 8.240 nan 0.000 0.504 151 H N 1.913 121.089 119.070 0.176 0.000 3.277 151 H HA 0.487 5.043 4.556 0.000 0.000 0.329 151 H C -0.969 174.502 175.328 0.239 0.000 1.034 151 H CA -0.712 55.419 56.048 0.139 0.000 1.530 151 H CB 0.626 30.427 29.762 0.066 0.000 1.837 151 H HN 0.422 nan 8.280 nan 0.000 0.493 152 L N 2.102 123.499 121.223 0.291 0.000 2.469 152 L HA 0.190 4.531 4.340 0.000 0.000 0.253 152 L C 0.582 177.447 176.870 -0.008 0.000 1.143 152 L CA -0.851 54.073 54.840 0.140 0.000 0.804 152 L CB 0.554 42.645 42.059 0.054 0.000 1.214 152 L HN 0.583 nan 8.230 nan 0.000 0.476 153 Q N 1.252 121.032 119.800 -0.034 0.000 2.283 153 Q HA 0.213 4.553 4.340 0.000 0.000 0.301 153 Q C -0.496 175.477 176.000 -0.046 0.000 1.063 153 Q CA 0.396 56.167 55.803 -0.052 0.000 0.952 153 Q CB 0.895 29.599 28.738 -0.057 0.000 1.166 153 Q HN 0.582 nan 8.270 nan 0.000 0.381 154 A N 4.193 126.979 122.820 -0.056 0.000 2.242 154 A HA 0.438 4.759 4.320 0.000 0.000 0.304 154 A C -0.461 177.092 177.584 -0.051 0.000 1.100 154 A CA -0.681 51.326 52.037 -0.051 0.000 0.860 154 A CB 0.406 19.373 19.000 -0.055 0.000 1.168 154 A HN 0.792 nan 8.150 nan 0.000 0.503 155 E N 1.275 121.434 120.200 -0.068 0.000 2.452 155 E HA 0.087 4.437 4.350 0.000 0.000 0.261 155 E C -0.839 175.739 176.600 -0.037 0.000 0.987 155 E CA 0.507 56.875 56.400 -0.054 0.000 0.926 155 E CB 0.579 30.236 29.700 -0.071 0.000 0.934 155 E HN 0.588 nan 8.360 nan 0.000 0.452 156 D N 1.306 121.694 120.400 -0.021 0.000 2.780 156 D HA 0.223 4.864 4.640 0.000 0.000 0.242 156 D C -0.644 175.657 176.300 0.001 0.000 1.135 156 D CA -0.473 53.522 54.000 -0.008 0.000 0.859 156 D CB 1.389 42.183 40.800 -0.009 0.000 1.530 156 D HN 0.122 nan 8.370 nan 0.000 0.493 164 P HA 0.029 nan 4.420 nan 0.000 0.216 164 P C 1.712 178.991 177.300 -0.036 0.000 1.150 164 P CA 2.117 65.199 63.100 -0.029 0.000 0.837 164 P CB -0.181 31.504 31.700 -0.026 0.000 0.786 165 A N -0.616 122.188 122.820 -0.027 0.000 1.940 165 A HA -0.188 4.132 4.320 0.000 0.000 0.219 165 A C 2.320 179.879 177.584 -0.042 0.000 1.176 165 A CA 2.205 54.224 52.037 -0.029 0.000 0.631 165 A CB -1.498 17.493 19.000 -0.015 0.000 0.814 165 A HN 0.142 nan 8.150 nan 0.000 0.446 166 S N -0.530 115.148 115.700 -0.036 0.000 2.383 166 S HA -0.104 4.367 4.470 0.000 0.000 0.227 166 S C 1.864 176.430 174.600 -0.058 0.000 1.026 166 S CA 1.335 59.511 58.200 -0.040 0.000 0.981 166 S CB -0.391 62.792 63.200 -0.028 0.000 0.818 166 S HN 0.349 nan 8.310 nan 0.000 0.472 167 V N 2.065 121.942 119.914 -0.062 0.000 2.307 167 V HA -0.139 3.981 4.120 0.000 0.000 0.245 167 V C 2.471 178.481 176.094 -0.141 0.000 1.045 167 V CA 1.562 63.810 62.300 -0.085 0.000 1.024 167 V CB -0.573 31.209 31.823 -0.068 0.000 0.651 167 V HN 0.376 nan 8.190 nan 0.000 0.449 168 R N -0.300 120.124 120.500 -0.127 0.000 2.105 168 R HA -0.159 4.181 4.340 0.000 0.000 0.239 168 R C 2.384 178.580 176.300 -0.173 0.000 1.135 168 R CA 1.937 57.941 56.100 -0.160 0.000 0.967 168 R CB -0.737 29.505 30.300 -0.098 0.000 0.861 168 R HN 0.477 nan 8.270 nan 0.000 0.442 169 T N 0.920 115.400 114.554 -0.124 0.000 2.788 169 T HA -0.133 4.217 4.350 0.000 0.000 0.268 169 T C 1.581 176.209 174.700 -0.121 0.000 1.044 169 T CA 1.165 63.198 62.100 -0.112 0.000 1.139 169 T CB -0.278 68.544 68.868 -0.076 0.000 0.867 169 T HN 0.323 nan 8.240 nan 0.000 0.454 170 N N 0.823 119.449 118.700 -0.124 0.000 2.188 170 N HA -0.090 4.651 4.740 0.000 0.000 0.184 170 N C 1.891 177.300 175.510 -0.169 0.000 1.018 170 N CA 1.053 54.039 53.050 -0.107 0.000 0.858 170 N CB 0.017 38.458 38.487 -0.078 0.000 0.989 170 N HN 0.541 nan 8.380 nan 0.000 0.426 171 Q N 0.307 119.903 119.800 -0.339 0.000 2.079 171 Q HA -0.046 4.294 4.340 0.000 0.000 0.200 171 Q C 2.313 178.085 176.000 -0.381 0.000 0.974 171 Q CA 0.976 56.360 55.803 -0.699 0.000 0.840 171 Q CB -0.014 27.956 28.738 -1.279 0.000 0.898 171 Q HN 0.381 nan 8.270 nan 0.000 0.430 172 L N 0.832 121.902 121.223 -0.256 0.000 2.093 172 L HA -0.188 4.152 4.340 0.000 0.000 0.208 172 L C 2.555 179.357 176.870 -0.115 0.000 1.085 172 L CA 1.128 55.871 54.840 -0.162 0.000 0.755 172 L CB -0.375 41.589 42.059 -0.157 0.000 0.904 172 L HN 0.176 nan 8.230 nan 0.000 0.435 173 K N 0.504 120.847 120.400 -0.095 0.000 2.057 173 K HA -0.199 4.121 4.320 0.000 0.000 0.207 173 K C 1.898 178.490 176.600 -0.015 0.000 1.049 173 K CA 1.442 57.699 56.287 -0.049 0.000 0.931 173 K CB 0.019 32.498 32.500 -0.035 0.000 0.714 173 K HN 0.332 nan 8.250 nan 0.000 0.440 174 E N 0.550 120.757 120.200 0.012 0.000 2.077 174 E HA -0.192 4.158 4.350 0.000 0.000 0.193 174 E C 2.114 178.707 176.600 -0.011 0.000 0.989 174 E CA 1.385 57.834 56.400 0.083 0.000 0.800 174 E CB -0.129 29.719 29.700 0.247 0.000 0.746 174 E HN 0.410 nan 8.360 nan 0.000 0.452 175 I N 1.099 121.619 120.570 -0.085 0.000 2.142 175 I HA -0.279 3.891 4.170 0.000 0.000 0.240 175 I C 2.864 178.890 176.117 -0.152 0.000 1.078 175 I CA 1.010 62.105 61.300 -0.342 0.000 1.343 175 I CB -0.347 37.416 38.000 -0.395 0.000 1.046 175 I HN 0.118 nan 8.210 nan 0.000 0.405 176 Q N 1.072 120.818 119.800 -0.090 0.000 2.096 176 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 176 Q C 1.670 177.660 176.000 -0.017 0.000 0.982 176 Q CA 1.985 57.760 55.803 -0.048 0.000 0.850 176 Q CB -0.233 28.479 28.738 -0.045 0.000 0.901 176 Q HN 0.474 nan 8.270 nan 0.000 0.422 177 D N -0.279 120.127 120.400 0.009 0.000 2.144 177 D HA -0.146 4.495 4.640 0.000 0.000 0.199 177 D C 1.642 177.970 176.300 0.047 0.000 0.984 177 D CA 0.867 54.886 54.000 0.032 0.000 0.834 177 D CB -0.553 40.287 40.800 0.067 0.000 0.955 177 D HN 0.285 nan 8.370 nan 0.000 0.465 178 F N 1.329 121.239 119.950 -0.065 0.000 2.102 178 F HA -0.109 4.418 4.527 0.000 0.000 0.298 178 F C 2.100 177.841 175.800 -0.099 0.000 1.105 178 F CA 1.083 59.054 58.000 -0.049 0.000 1.239 178 F CB -0.298 38.688 39.000 -0.023 0.000 0.991 178 F HN -0.138 nan 8.300 nan 0.000 0.474 179 I N 0.589 121.044 120.570 -0.191 0.000 2.163 179 I HA -0.330 3.841 4.170 0.000 0.000 0.243 179 I C 2.587 178.565 176.117 -0.232 0.000 1.085 179 I CA 1.870 63.003 61.300 -0.279 0.000 1.347 179 I CB -0.629 37.328 38.000 -0.072 0.000 1.044 179 I HN 0.162 nan 8.210 nan 0.000 0.408 180 K N 1.228 121.556 120.400 -0.121 0.000 2.057 180 K HA -0.229 4.092 4.320 0.000 0.000 0.207 180 K C 1.873 178.393 176.600 -0.134 0.000 1.049 180 K CA 1.916 58.153 56.287 -0.083 0.000 0.931 180 K CB -0.210 32.257 32.500 -0.054 0.000 0.714 180 K HN 0.290 nan 8.250 nan 0.000 0.440 181 N N 0.027 118.624 118.700 -0.172 0.000 2.289 181 N HA -0.157 4.583 4.740 0.000 0.000 0.184 181 N C 1.543 176.902 175.510 -0.252 0.000 1.016 181 N CA 0.666 53.614 53.050 -0.169 0.000 0.872 181 N CB 0.099 38.513 38.487 -0.121 0.000 0.973 181 N HN 0.025 nan 8.380 nan 0.000 0.433 182 K N 1.512 121.655 120.400 -0.427 0.000 2.283 182 K HA -0.061 4.260 4.320 0.000 0.000 0.202 182 K C -0.002 176.440 176.600 -0.262 0.000 1.048 182 K CA 0.472 56.479 56.287 -0.467 0.000 0.948 182 K CB -0.292 31.754 32.500 -0.758 0.000 0.742 182 K HN 0.213 nan 8.250 nan 0.000 0.458 183 N N 0.129 118.719 118.700 -0.182 0.000 2.738 183 N HA -0.200 4.540 4.740 0.000 0.000 0.249 183 N C -1.165 174.290 175.510 -0.091 0.000 1.047 183 N CA 0.040 53.028 53.050 -0.103 0.000 0.707 183 N CB -0.969 37.466 38.487 -0.087 0.000 0.937 183 N HN 0.167 nan 8.380 nan 0.000 0.545 184 I N 1.097 121.603 120.570 -0.107 0.000 2.529 184 I HA 0.195 4.365 4.170 0.000 0.000 0.284 184 I C -1.707 174.420 176.117 0.018 0.000 1.082 184 I CA -1.673 59.524 61.300 -0.173 0.000 1.406 184 I CB 0.658 38.322 38.000 -0.560 0.000 1.405 184 I HN 0.065 nan 8.210 nan 0.000 0.548 185 P HA -0.048 nan 4.420 nan 0.000 0.264 185 P C -0.126 177.254 177.300 0.134 0.000 1.183 185 P CA 0.102 63.235 63.100 0.054 0.000 0.763 185 P CB 0.287 32.022 31.700 0.058 0.000 0.807 186 N N 1.726 120.455 118.700 0.048 0.000 2.571 186 N HA -0.126 4.614 4.740 0.000 0.000 0.189 186 N C 0.617 176.111 175.510 -0.026 0.000 1.154 186 N CA 0.486 53.525 53.050 -0.018 0.000 0.907 186 N CB -0.800 37.599 38.487 -0.147 0.000 0.977 186 N HN 0.310 nan 8.380 nan 0.000 0.449 187 N N -0.170 118.516 118.700 -0.023 0.000 2.214 187 N HA 0.027 4.768 4.740 0.000 0.000 0.214 187 N C -0.817 174.610 175.510 -0.139 0.000 1.132 187 N CA -0.139 52.860 53.050 -0.086 0.000 0.856 187 N CB 0.146 38.604 38.487 -0.048 0.000 1.020 187 N HN 0.319 nan 8.380 nan 0.000 0.509 188 E N 0.136 120.289 120.200 -0.079 0.000 2.227 188 E HA 0.253 4.603 4.350 0.000 0.000 0.268 188 E C -1.130 175.409 176.600 -0.102 0.000 0.907 188 E CA -0.855 55.520 56.400 -0.041 0.000 0.786 188 E CB 1.335 31.156 29.700 0.202 0.000 1.191 188 E HN 0.101 nan 8.360 nan 0.000 0.411 189 Y N 0.533 120.931 120.300 0.164 0.000 2.377 189 Y HA 0.209 4.759 4.550 0.000 0.000 0.330 189 Y C 0.123 176.116 175.900 0.154 0.000 1.108 189 Y CA -0.354 57.825 58.100 0.132 0.000 1.308 189 Y CB 0.768 39.281 38.460 0.088 0.000 1.216 189 Y HN 0.137 nan 8.280 nan 0.000 0.518 190 V N 6.181 126.222 119.914 0.212 0.000 2.409 190 V HA 0.364 4.484 4.120 0.000 0.000 0.290 190 V C -0.413 175.767 176.094 0.144 0.000 1.017 190 V CA -0.864 61.507 62.300 0.117 0.000 0.841 190 V CB 1.017 32.739 31.823 -0.168 0.000 1.003 190 V HN 0.576 nan 8.190 nan 0.000 0.426 191 L N 5.760 127.073 121.223 0.150 0.000 2.334 191 L HA 0.697 5.038 4.340 0.000 0.000 0.276 191 L C -0.986 175.943 176.870 0.098 0.000 1.014 191 L CA -0.730 54.182 54.840 0.119 0.000 0.815 191 L CB 2.100 44.223 42.059 0.107 0.000 1.268 191 L HN 0.437 nan 8.230 nan 0.000 0.428 192 I N 1.643 122.260 120.570 0.079 0.000 2.418 192 I HA 0.721 4.891 4.170 0.000 0.000 0.287 192 I C 0.307 176.471 176.117 0.079 0.000 1.008 192 I CA -0.005 61.327 61.300 0.053 0.000 1.104 192 I CB 1.895 39.895 38.000 0.001 0.000 1.264 192 I HN 0.592 nan 8.210 nan 0.000 0.438 193 G N 2.619 111.473 108.800 0.090 0.000 2.672 193 G HA2 0.881 4.842 3.960 0.000 0.000 0.292 193 G HA3 0.881 4.842 3.960 0.000 0.000 0.292 193 G C -0.697 174.272 174.900 0.115 0.000 1.375 193 G CA -0.424 44.747 45.100 0.118 0.000 0.890 193 G HN 1.006 nan 8.290 nan 0.000 0.476 194 G N -0.396 108.482 108.800 0.130 0.000 2.340 194 G HA2 0.339 4.300 3.960 0.000 0.000 0.282 194 G HA3 0.339 4.300 3.960 0.000 0.000 0.282 194 G C -1.720 173.242 174.900 0.104 0.000 1.312 194 G CA -0.229 44.925 45.100 0.090 0.000 0.942 194 G HN 0.838 nan 8.290 nan 0.000 0.495 195 D N 1.031 121.444 120.400 0.021 0.000 2.422 195 D HA 0.387 5.027 4.640 0.000 0.000 0.227 195 D C 1.768 178.191 176.300 0.205 0.000 1.190 195 D CA -0.507 53.508 54.000 0.026 0.000 0.905 195 D CB 0.412 41.035 40.800 -0.294 0.000 1.034 195 D HN 0.266 nan 8.370 nan 0.000 0.507 196 M N 1.870 121.623 119.600 0.255 0.000 2.562 196 M HA -0.022 4.459 4.480 0.000 0.000 0.257 196 M C 0.634 177.041 176.300 0.179 0.000 1.099 196 M CA 0.252 55.683 55.300 0.218 0.000 1.099 196 M CB -0.833 31.890 32.600 0.205 0.000 1.427 196 M HN 0.428 nan 8.290 nan 0.000 0.489 197 N N 0.719 119.537 118.700 0.197 0.000 2.714 197 N HA -0.133 4.608 4.740 0.000 0.000 0.250 197 N C -0.997 174.585 175.510 0.121 0.000 1.117 197 N CA 0.353 53.477 53.050 0.124 0.000 0.719 197 N CB -1.207 37.324 38.487 0.074 0.000 1.081 197 N HN 0.186 nan 8.380 nan 0.000 0.557 198 V N 1.227 121.268 119.914 0.213 0.000 2.357 198 V HA 0.258 4.378 4.120 0.000 0.000 0.284 198 V C 0.421 176.721 176.094 0.343 0.000 1.018 198 V CA -0.913 61.511 62.300 0.207 0.000 0.841 198 V CB 1.839 33.733 31.823 0.117 0.000 0.991 198 V HN 0.140 nan 8.190 nan 0.000 0.437 199 N N 3.937 122.777 118.700 0.233 0.000 2.458 199 N HA 0.182 4.922 4.740 0.000 0.000 0.270 199 N C 0.761 176.362 175.510 0.152 0.000 1.102 199 N CA 0.033 53.207 53.050 0.207 0.000 0.967 199 N CB 1.333 39.888 38.487 0.114 0.000 1.078 199 N HN 0.689 nan 8.380 nan 0.000 0.471 200 K N 3.734 124.176 120.400 0.071 0.000 2.262 200 K HA 0.215 4.535 4.320 0.000 0.000 0.200 200 K C 0.260 176.634 176.600 -0.377 0.000 1.049 200 K CA 0.160 56.183 56.287 -0.439 0.000 0.979 200 K CB 0.129 32.217 32.500 -0.688 0.000 0.773 200 K HN 0.589 nan 8.250 nan 0.000 0.474 201 I N 3.263 123.735 120.570 -0.163 0.000 2.742 201 I HA -0.146 4.024 4.170 0.000 0.000 0.287 201 I C 0.174 176.235 176.117 -0.093 0.000 1.186 201 I CA 0.429 61.654 61.300 -0.124 0.000 1.417 201 I CB -0.101 37.877 38.000 -0.037 0.000 1.377 201 I HN 0.480 nan 8.210 nan 0.000 0.556 202 N N 4.680 123.319 118.700 -0.102 0.000 2.741 202 N HA -0.225 4.515 4.740 0.000 0.000 0.250 202 N C 0.158 175.640 175.510 -0.046 0.000 1.115 202 N CA 1.116 54.130 53.050 -0.059 0.000 0.724 202 N CB -0.504 37.967 38.487 -0.028 0.000 1.090 202 N HN 0.782 nan 8.380 nan 0.000 0.558 203 A N -1.146 121.622 122.820 -0.087 0.000 2.551 203 A HA 0.282 4.602 4.320 0.000 0.000 0.252 203 A C 1.285 178.882 177.584 0.022 0.000 1.199 203 A CA 0.146 52.172 52.037 -0.017 0.000 0.972 203 A CB 0.292 19.304 19.000 0.020 0.000 1.153 203 A HN 0.453 nan 8.150 nan 0.000 0.559 204 E N 0.601 120.758 120.200 -0.071 0.000 2.418 204 E HA -0.056 4.294 4.350 0.000 0.000 0.197 204 E C 0.609 177.256 176.600 0.078 0.000 1.026 204 E CA 0.519 56.932 56.400 0.021 0.000 0.862 204 E CB 0.061 29.718 29.700 -0.071 0.000 0.799 204 E HN 0.482 nan 8.360 nan 0.000 0.518 205 N N 0.489 119.217 118.700 0.046 0.000 2.205 205 N HA 0.032 4.772 4.740 0.000 0.000 0.201 205 N C -0.359 175.181 175.510 0.049 0.000 1.128 205 N CA 0.141 53.216 53.050 0.042 0.000 0.867 205 N CB 0.493 38.992 38.487 0.020 0.000 0.996 205 N HN 0.025 nan 8.380 nan 0.000 0.503 206 N N 1.220 119.960 118.700 0.068 0.000 2.501 206 N HA 0.075 4.815 4.740 0.000 0.000 0.245 206 N C 0.344 175.903 175.510 0.082 0.000 0.974 206 N CA -0.148 52.940 53.050 0.063 0.000 0.941 206 N CB 1.378 39.899 38.487 0.058 0.000 1.122 206 N HN 0.045 nan 8.380 nan 0.000 0.507 207 N N 1.282 120.018 118.700 0.060 0.000 2.573 207 N HA -0.062 4.678 4.740 0.000 0.000 0.187 207 N C 0.126 175.664 175.510 0.047 0.000 1.107 207 N CA 0.911 53.993 53.050 0.054 0.000 0.918 207 N CB 0.321 38.827 38.487 0.032 0.000 0.966 207 N HN 0.395 nan 8.380 nan 0.000 0.448 208 D N -1.183 119.245 120.400 0.047 0.000 2.369 208 D HA 0.026 4.666 4.640 0.000 0.000 0.211 208 D C 0.119 176.447 176.300 0.047 0.000 1.077 208 D CA 0.091 54.113 54.000 0.036 0.000 0.842 208 D CB 0.137 40.953 40.800 0.027 0.000 0.947 208 D HN 0.277 nan 8.370 nan 0.000 0.509 209 S N 0.319 116.064 115.700 0.075 0.000 2.584 209 S HA 0.020 4.491 4.470 0.000 0.000 0.270 209 S C 1.287 175.941 174.600 0.090 0.000 1.346 209 S CA -0.518 57.740 58.200 0.095 0.000 1.018 209 S CB 2.192 65.482 63.200 0.150 0.000 0.899 209 S HN 0.127 nan 8.310 nan 0.000 0.542 210 E N 0.493 120.744 120.200 0.084 0.000 2.153 210 E HA -0.227 4.123 4.350 0.000 0.000 0.194 210 E C 1.576 178.212 176.600 0.058 0.000 0.988 210 E CA 1.079 57.509 56.400 0.050 0.000 0.811 210 E CB -0.295 29.431 29.700 0.043 0.000 0.746 210 E HN 0.860 nan 8.360 nan 0.000 0.466 211 Y N 0.772 121.081 120.300 0.015 0.000 2.145 211 Y HA -0.202 4.348 4.550 0.000 0.000 0.286 211 Y C 2.103 178.059 175.900 0.092 0.000 1.145 211 Y CA 1.960 60.077 58.100 0.028 0.000 1.148 211 Y CB -0.703 37.814 38.460 0.095 0.000 0.981 211 Y HN 0.120 nan 8.280 nan 0.000 0.507 212 A N -0.693 122.151 122.820 0.039 0.000 1.933 212 A HA -0.153 4.168 4.320 0.000 0.000 0.218 212 A C 2.393 179.971 177.584 -0.011 0.000 1.175 212 A CA 1.887 53.929 52.037 0.009 0.000 0.628 212 A CB -1.134 17.917 19.000 0.086 0.000 0.814 212 A HN 0.505 nan 8.150 nan 0.000 0.444 213 S N -0.777 114.904 115.700 -0.032 0.000 2.399 213 S HA -0.182 4.288 4.470 0.000 0.000 0.231 213 S C 1.941 176.466 174.600 -0.126 0.000 1.022 213 S CA 1.536 59.704 58.200 -0.054 0.000 0.983 213 S CB -0.401 62.775 63.200 -0.041 0.000 0.803 213 S HN 0.676 nan 8.310 nan 0.000 0.480 214 M N 0.469 119.920 119.600 -0.248 0.000 2.080 214 M HA -0.154 4.326 4.480 0.000 0.000 0.260 214 M C 1.376 177.405 176.300 -0.452 0.000 1.068 214 M CA 1.806 56.856 55.300 -0.415 0.000 1.109 214 M CB -0.276 31.924 32.600 -0.666 0.000 1.342 214 M HN 0.280 nan 8.290 nan 0.000 0.405 215 F N 0.564 120.363 119.950 -0.251 0.000 2.234 215 F HA -0.126 4.401 4.527 0.000 0.000 0.299 215 F C 2.290 178.013 175.800 -0.129 0.000 1.087 215 F CA 1.308 59.191 58.000 -0.194 0.000 1.340 215 F CB -0.565 38.302 39.000 -0.222 0.000 1.031 215 F HN 0.109 nan 8.300 nan 0.000 0.500 216 K N -0.334 120.086 120.400 0.034 0.000 2.025 216 K HA -0.097 4.224 4.320 0.000 0.000 0.207 216 K C 2.027 178.610 176.600 -0.028 0.000 1.049 216 K CA 1.861 58.151 56.287 0.004 0.000 0.933 216 K CB -0.745 31.752 32.500 -0.006 0.000 0.714 216 K HN 0.154 nan 8.250 nan 0.000 0.438 217 T N 1.996 116.513 114.554 -0.062 0.000 2.788 217 T HA -0.076 4.274 4.350 0.000 0.000 0.268 217 T C 1.744 176.402 174.700 -0.070 0.000 1.044 217 T CA 1.022 63.080 62.100 -0.070 0.000 1.139 217 T CB -0.029 68.783 68.868 -0.093 0.000 0.867 217 T HN 0.110 nan 8.240 nan 0.000 0.454 218 L N 0.630 121.800 121.223 -0.088 0.000 2.567 218 L HA 0.236 4.576 4.340 0.000 0.000 0.225 218 L C 0.767 177.623 176.870 -0.023 0.000 1.119 218 L CA -0.101 54.696 54.840 -0.072 0.000 0.871 218 L CB -0.370 41.622 42.059 -0.113 0.000 1.036 218 L HN 0.270 nan 8.230 nan 0.000 0.459 219 N N 0.584 119.280 118.700 -0.007 0.000 2.714 219 N HA -0.191 4.549 4.740 0.000 0.000 0.253 219 N C -0.437 175.101 175.510 0.047 0.000 1.024 219 N CA 0.708 53.767 53.050 0.016 0.000 0.726 219 N CB -0.440 38.045 38.487 -0.002 0.000 0.908 219 N HN 0.414 nan 8.380 nan 0.000 0.542 220 A N -0.324 122.552 122.820 0.094 0.000 2.322 220 A HA 0.795 5.115 4.320 0.000 0.000 0.327 220 A C 0.383 178.089 177.584 0.202 0.000 1.134 220 A CA 0.045 52.170 52.037 0.147 0.000 0.831 220 A CB 1.090 20.179 19.000 0.147 0.000 1.288 220 A HN 0.755 nan 8.150 nan 0.000 0.472 221 S N -0.294 115.482 115.700 0.127 0.000 2.672 221 S HA 0.600 5.070 4.470 0.000 0.000 0.276 221 S C -0.244 174.288 174.600 -0.112 0.000 1.207 221 S CA -0.611 57.579 58.200 -0.016 0.000 1.002 221 S CB 1.136 64.320 63.200 -0.027 0.000 0.998 221 S HN 0.776 nan 8.310 nan 0.000 0.542 222 V N 3.799 123.462 119.914 -0.418 0.000 2.461 222 V HA 0.408 4.528 4.120 0.000 0.000 0.275 222 V C -1.521 174.384 176.094 -0.315 0.000 1.047 222 V CA -1.309 60.646 62.300 -0.575 0.000 0.955 222 V CB 0.540 31.961 31.823 -0.669 0.000 0.988 222 V HN 0.874 nan 8.190 nan 0.000 0.471 223 P HA 0.338 nan 4.420 nan 0.000 0.280 223 P C -0.548 176.351 177.300 -0.669 0.000 1.272 223 P CA -0.580 62.277 63.100 -0.405 0.000 0.819 223 P CB 1.037 32.577 31.700 -0.267 0.000 1.122 224 S N 0.166 115.557 115.700 -0.515 0.000 2.528 224 S HA 0.255 4.726 4.470 0.000 0.000 0.277 224 S C -0.448 173.940 174.600 -0.354 0.000 1.297 224 S CA -0.067 57.906 58.200 -0.378 0.000 1.052 224 S CB -0.484 62.566 63.200 -0.250 0.000 0.917 224 S HN 0.247 nan 8.310 nan 0.000 0.492 225 Y N 1.953 122.266 120.300 0.022 0.000 2.326 225 Y HA 0.477 5.027 4.550 0.000 0.000 0.337 225 Y C 1.209 177.144 175.900 0.058 0.000 1.023 225 Y CA -0.648 57.480 58.100 0.047 0.000 1.143 225 Y CB 1.279 39.735 38.460 -0.007 0.000 1.183 225 Y HN 0.657 nan 8.280 nan 0.000 0.485 226 T N -0.335 114.366 114.554 0.244 0.000 2.865 226 T HA 0.865 5.215 4.350 0.000 0.000 0.294 226 T C 0.212 175.010 174.700 0.163 0.000 1.119 226 T CA -0.311 61.890 62.100 0.168 0.000 1.007 226 T CB 1.648 70.598 68.868 0.136 0.000 1.225 226 T HN 1.248 nan 8.240 nan 0.000 0.515 227 G N 0.982 109.853 108.800 0.119 0.000 2.584 227 G HA2 -0.073 3.887 3.960 0.000 0.000 0.229 227 G HA3 -0.073 3.887 3.960 0.000 0.000 0.229 227 G C -0.348 174.628 174.900 0.126 0.000 1.320 227 G CA 0.197 45.360 45.100 0.105 0.000 0.891 227 G HN 1.410 nan 8.290 nan 0.000 0.573 228 H N 0.562 119.626 119.070 -0.009 0.000 2.836 228 H HA 0.411 4.967 4.556 0.000 0.000 0.368 228 H C 2.166 177.534 175.328 0.067 0.000 1.164 228 H CA 1.589 57.624 56.048 -0.022 0.000 1.425 228 H CB 0.767 30.448 29.762 -0.135 0.000 1.414 228 H HN 0.932 nan 8.280 nan 0.000 0.614 229 T N 0.755 114.978 114.554 -0.551 0.000 3.129 229 T HA 0.518 4.869 4.350 0.000 0.000 0.251 229 T C 0.325 174.918 174.700 -0.178 0.000 1.117 229 T CA 0.119 62.044 62.100 -0.291 0.000 1.034 229 T CB -0.125 68.592 68.868 -0.251 0.000 0.968 229 T HN 0.637 nan 8.240 nan 0.000 0.526 230 A N 0.730 123.354 122.820 -0.326 0.000 2.574 230 A HA 0.646 4.966 4.320 0.000 0.000 0.297 230 A C 0.780 178.361 177.584 -0.005 0.000 1.062 230 A CA -0.197 51.790 52.037 -0.084 0.000 0.686 230 A CB 1.041 20.016 19.000 -0.042 0.000 1.285 230 A HN 0.225 nan 8.150 nan 0.000 0.403 231 T N -3.130 111.324 114.554 -0.167 0.000 3.014 231 T HA 0.190 4.540 4.350 0.000 0.000 0.250 231 T C -0.035 174.658 174.700 -0.011 0.000 1.060 231 T CA 0.605 62.664 62.100 -0.069 0.000 1.040 231 T CB -0.027 68.673 68.868 -0.280 0.000 0.971 231 T HN 0.886 nan 8.240 nan 0.000 0.497 232 W N 2.368 123.498 121.300 -0.284 0.000 2.521 232 W HA 0.608 5.268 4.660 0.000 0.000 0.310 232 W C -2.118 174.257 176.519 -0.239 0.000 1.000 232 W CA -1.320 55.742 57.345 -0.471 0.000 1.353 232 W CB 1.204 30.299 29.460 -0.609 0.000 1.276 232 W HN -0.078 nan 8.180 nan 0.000 0.417 233 D N 3.941 124.024 120.400 -0.528 0.000 2.440 233 D HA 0.357 4.997 4.640 0.000 0.000 0.252 233 D C 0.766 176.795 176.300 -0.451 0.000 1.180 233 D CA -0.009 53.787 54.000 -0.339 0.000 0.894 233 D CB 1.671 42.542 40.800 0.118 0.000 1.111 233 D HN 0.415 nan 8.370 nan 0.000 0.544 234 A N 2.465 124.944 122.820 -0.570 0.000 2.209 234 A HA -0.055 4.266 4.320 0.000 0.000 0.212 234 A C 1.782 179.263 177.584 -0.171 0.000 1.158 234 A CA 1.482 53.282 52.037 -0.396 0.000 0.742 234 A CB -0.395 18.375 19.000 -0.382 0.000 0.790 234 A HN 0.558 nan 8.150 nan 0.000 0.472 235 T N -4.313 110.173 114.554 -0.113 0.000 3.065 235 T HA 0.010 4.360 4.350 0.000 0.000 0.252 235 T C 1.342 176.040 174.700 -0.003 0.000 1.099 235 T CA 1.624 63.703 62.100 -0.035 0.000 1.063 235 T CB -0.205 68.661 68.868 -0.004 0.000 0.948 235 T HN 0.545 nan 8.240 nan 0.000 0.506 236 T N -2.318 112.240 114.554 0.008 0.000 2.993 236 T HA 0.269 4.619 4.350 0.000 0.000 0.260 236 T C 0.385 175.124 174.700 0.064 0.000 0.939 236 T CA -0.501 61.623 62.100 0.040 0.000 0.886 236 T CB -0.183 68.710 68.868 0.041 0.000 1.209 236 T HN 0.275 nan 8.240 nan 0.000 0.518 237 N N 2.183 120.870 118.700 -0.023 0.000 2.422 237 N HA 0.207 4.947 4.740 0.000 0.000 0.266 237 N C 1.355 176.840 175.510 -0.042 0.000 1.007 237 N CA 0.506 53.499 53.050 -0.094 0.000 0.941 237 N CB 2.102 40.334 38.487 -0.427 0.000 1.115 237 N HN 0.361 nan 8.380 nan 0.000 0.492 238 S N 4.135 119.867 115.700 0.054 0.000 2.399 238 S HA -0.093 4.377 4.470 0.000 0.000 0.231 238 S C 1.909 176.692 174.600 0.305 0.000 1.022 238 S CA 0.618 58.915 58.200 0.161 0.000 0.983 238 S CB -0.222 63.084 63.200 0.176 0.000 0.803 238 S HN 0.658 nan 8.310 nan 0.000 0.480 239 I N 2.059 122.732 120.570 0.172 0.000 2.277 239 I HA -0.023 4.147 4.170 0.000 0.000 0.243 239 I C 3.100 179.244 176.117 0.044 0.000 1.094 239 I CA 0.977 62.323 61.300 0.076 0.000 1.393 239 I CB -0.715 37.140 38.000 -0.242 0.000 1.078 239 I HN 0.401 nan 8.210 nan 0.000 0.417 240 A N 0.946 123.685 122.820 -0.134 0.000 1.933 240 A HA -0.263 4.057 4.320 0.000 0.000 0.218 240 A C 2.382 179.931 177.584 -0.059 0.000 1.175 240 A CA 1.908 53.821 52.037 -0.208 0.000 0.628 240 A CB -0.547 18.029 19.000 -0.708 0.000 0.814 240 A HN 0.361 nan 8.150 nan 0.000 0.444 241 K N -1.865 118.525 120.400 -0.017 0.000 2.097 241 K HA -0.208 4.112 4.320 0.000 0.000 0.206 241 K C 1.894 178.582 176.600 0.147 0.000 1.049 241 K CA 1.719 58.032 56.287 0.044 0.000 0.933 241 K CB -0.362 32.174 32.500 0.059 0.000 0.717 241 K HN 0.532 nan 8.250 nan 0.000 0.442 242 Y N 1.525 121.911 120.300 0.144 0.000 2.163 242 Y HA -0.141 4.409 4.550 0.000 0.000 0.288 242 Y C 1.487 177.446 175.900 0.099 0.000 1.136 242 Y CA 2.187 60.402 58.100 0.192 0.000 1.147 242 Y CB -0.242 38.485 38.460 0.444 0.000 0.987 242 Y HN 0.222 nan 8.280 nan 0.000 0.509 243 N N -1.645 117.150 118.700 0.160 0.000 2.207 243 N HA -0.049 4.692 4.740 0.000 0.000 0.182 243 N C -0.620 174.541 175.510 -0.582 0.000 1.020 243 N CA 0.744 53.705 53.050 -0.149 0.000 0.858 243 N CB 0.057 38.629 38.487 0.142 0.000 0.991 243 N HN 0.137 nan 8.380 nan 0.000 0.427 244 F N -0.182 119.803 119.950 0.058 0.000 2.708 244 F HA 0.317 4.844 4.527 0.000 0.000 0.344 244 F C -1.938 173.840 175.800 -0.037 0.000 1.447 244 F CA -1.725 56.305 58.000 0.050 0.000 1.140 244 F CB 1.496 40.611 39.000 0.191 0.000 1.657 244 F HN -0.131 nan 8.300 nan 0.000 0.598 245 P HA -0.181 nan 4.420 nan 0.000 0.216 245 P C 0.461 177.776 177.300 0.025 0.000 1.150 245 P CA 1.674 64.786 63.100 0.020 0.000 0.843 245 P CB 0.479 32.179 31.700 -0.000 0.000 0.787 246 D N -0.750 119.687 120.400 0.061 0.000 2.339 246 D HA 0.064 4.705 4.640 0.000 0.000 0.217 246 D C 0.225 176.571 176.300 0.076 0.000 1.050 246 D CA 0.291 54.325 54.000 0.057 0.000 0.856 246 D CB 0.032 40.866 40.800 0.056 0.000 0.922 246 D HN 0.108 nan 8.370 nan 0.000 0.518 247 S N 2.443 118.206 115.700 0.105 0.000 2.481 247 S HA 0.254 4.724 4.470 0.000 0.000 0.276 247 S C -2.186 172.434 174.600 0.033 0.000 1.247 247 S CA -1.001 57.271 58.200 0.120 0.000 1.053 247 S CB 1.245 64.589 63.200 0.240 0.000 0.925 247 S HN 0.015 nan 8.310 nan 0.000 0.491 248 P HA 0.152 nan 4.420 nan 0.000 0.267 248 P C -0.483 176.837 177.300 0.033 0.000 1.200 248 P CA -0.205 62.914 63.100 0.033 0.000 0.772 248 P CB 0.358 32.086 31.700 0.047 0.000 0.855 249 A N 2.578 125.394 122.820 -0.007 0.000 2.466 249 A HA 0.155 4.476 4.320 0.000 0.000 0.238 249 A C 0.189 177.827 177.584 0.090 0.000 1.074 249 A CA 0.322 52.356 52.037 -0.006 0.000 0.774 249 A CB -0.153 18.840 19.000 -0.011 0.000 1.015 249 A HN 0.582 nan 8.150 nan 0.000 0.498 250 E N -0.928 119.369 120.200 0.162 0.000 2.343 250 E HA 0.389 4.740 4.350 0.000 0.000 0.270 250 E C -1.937 174.740 176.600 0.129 0.000 0.895 250 E CA -0.448 56.057 56.400 0.175 0.000 0.767 250 E CB 2.215 32.058 29.700 0.238 0.000 1.248 250 E HN 0.620 nan 8.360 nan 0.000 0.440 251 Y N 2.601 122.899 120.300 -0.003 0.000 2.464 251 Y HA 0.302 4.852 4.550 0.000 0.000 0.326 251 Y C -0.083 175.777 175.900 -0.067 0.000 0.969 251 Y CA -0.142 57.907 58.100 -0.084 0.000 1.270 251 Y CB 0.311 38.664 38.460 -0.177 0.000 1.103 251 Y HN 0.452 nan 8.280 nan 0.000 0.491 252 L N 3.245 124.403 121.223 -0.108 0.000 2.878 252 L HA 0.360 4.701 4.340 0.000 0.000 0.253 252 L C -0.675 176.169 176.870 -0.044 0.000 1.135 252 L CA -0.040 54.839 54.840 0.064 0.000 0.943 252 L CB 0.550 42.689 42.059 0.134 0.000 1.307 252 L HN 0.464 nan 8.230 nan 0.000 0.545 253 D N -0.250 119.932 120.400 -0.362 0.000 2.193 253 D HA 0.551 5.191 4.640 0.000 0.000 0.244 253 D C -1.128 174.967 176.300 -0.343 0.000 1.064 253 D CA 0.065 53.943 54.000 -0.202 0.000 0.845 253 D CB 1.250 41.990 40.800 -0.101 0.000 1.148 253 D HN -0.124 nan 8.370 nan 0.000 0.464 254 Y N 0.464 120.866 120.300 0.171 0.000 2.615 254 Y HA 0.597 5.147 4.550 0.000 0.000 0.341 254 Y C -0.548 175.445 175.900 0.155 0.000 1.089 254 Y CA -1.156 57.085 58.100 0.234 0.000 1.049 254 Y CB 1.598 40.219 38.460 0.268 0.000 1.296 254 Y HN 0.181 nan 8.280 nan 0.000 0.470 255 I N 4.005 124.782 120.570 0.344 0.000 2.560 255 I HA 0.397 4.567 4.170 0.000 0.000 0.278 255 I C -1.095 175.140 176.117 0.195 0.000 1.089 255 I CA -0.333 61.091 61.300 0.207 0.000 1.086 255 I CB 0.911 38.997 38.000 0.144 0.000 1.202 255 I HN 0.499 nan 8.210 nan 0.000 0.471 256 I N 1.873 122.546 120.570 0.172 0.000 2.957 256 I HA 0.979 5.149 4.170 0.000 0.000 0.310 256 I C -0.342 175.849 176.117 0.124 0.000 1.063 256 I CA -0.801 60.596 61.300 0.162 0.000 1.033 256 I CB 2.210 40.339 38.000 0.215 0.000 1.230 256 I HN 0.428 nan 8.210 nan 0.000 0.447 257 A N 2.436 125.330 122.820 0.124 0.000 2.324 257 A HA 0.582 4.902 4.320 0.000 0.000 0.330 257 A C -0.108 177.554 177.584 0.129 0.000 1.165 257 A CA -0.548 51.569 52.037 0.133 0.000 0.813 257 A CB 1.289 20.380 19.000 0.151 0.000 1.197 257 A HN 0.791 nan 8.150 nan 0.000 0.484 258 S N 0.675 116.459 115.700 0.140 0.000 2.528 258 S HA 0.146 4.616 4.470 0.000 0.000 0.277 258 S C 0.884 175.562 174.600 0.130 0.000 1.297 258 S CA -0.271 58.015 58.200 0.144 0.000 1.052 258 S CB 0.272 63.605 63.200 0.223 0.000 0.917 258 S HN 0.620 nan 8.310 nan 0.000 0.492 259 K N 2.702 123.145 120.400 0.073 0.000 2.366 259 K HA 0.008 4.328 4.320 0.000 0.000 0.198 259 K C 0.409 176.990 176.600 -0.031 0.000 1.044 259 K CA 0.625 56.928 56.287 0.027 0.000 0.973 259 K CB 0.073 32.578 32.500 0.009 0.000 0.767 259 K HN 0.605 nan 8.250 nan 0.000 0.475 260 D N 0.035 120.394 120.400 -0.067 0.000 2.349 260 D HA 0.005 4.645 4.640 0.000 0.000 0.224 260 D C 0.600 176.543 176.300 -0.595 0.000 1.029 260 D CA 0.729 54.561 54.000 -0.280 0.000 0.879 260 D CB 0.307 40.923 40.800 -0.307 0.000 0.906 260 D HN 0.281 nan 8.370 nan 0.000 0.528 261 H N -0.600 118.438 119.070 -0.052 0.000 3.747 261 H HA 0.502 5.058 4.556 0.000 0.000 0.343 261 H C -0.255 175.008 175.328 -0.108 0.000 1.692 261 H CA -0.903 55.096 56.048 -0.082 0.000 1.262 261 H CB 0.230 29.945 29.762 -0.077 0.000 1.557 261 H HN -0.186 nan 8.280 nan 0.000 0.722 262 A N 1.352 124.131 122.820 -0.069 0.000 2.537 262 A HA 0.021 4.342 4.320 0.000 0.000 0.260 262 A C -0.198 177.349 177.584 -0.063 0.000 1.082 262 A CA 0.036 51.888 52.037 -0.308 0.000 0.765 262 A CB -1.230 17.121 19.000 -1.081 0.000 1.019 262 A HN 0.460 nan 8.150 nan 0.000 0.507 263 N N 3.576 122.295 118.700 0.033 0.000 2.408 263 N HA 0.427 5.167 4.740 0.000 0.000 0.257 263 N C -2.729 172.925 175.510 0.240 0.000 1.064 263 N CA -0.864 52.263 53.050 0.128 0.000 0.952 263 N CB 0.652 39.175 38.487 0.060 0.000 1.093 263 N HN 0.405 nan 8.380 nan 0.000 0.490 264 P HA 0.022 nan 4.420 nan 0.000 0.268 264 P C 0.431 177.816 177.300 0.141 0.000 1.204 264 P CA -0.139 63.105 63.100 0.240 0.000 0.768 264 P CB 0.680 32.429 31.700 0.081 0.000 0.842 265 S N 1.862 117.650 115.700 0.147 0.000 2.447 265 S HA -0.084 4.386 4.470 0.000 0.000 0.233 265 S C 0.203 174.908 174.600 0.175 0.000 1.006 265 S CA 0.655 58.932 58.200 0.129 0.000 0.957 265 S CB -0.572 62.697 63.200 0.115 0.000 0.773 265 S HN 0.581 nan 8.310 nan 0.000 0.507 266 Y N -0.395 119.909 120.300 0.006 0.000 2.390 266 Y HA 0.632 5.182 4.550 0.000 0.000 0.324 266 Y C -1.728 174.158 175.900 -0.024 0.000 1.151 266 Y CA -1.365 56.728 58.100 -0.012 0.000 1.053 266 Y CB 1.314 39.765 38.460 -0.014 0.000 1.277 266 Y HN 0.209 nan 8.280 nan 0.000 0.432 267 I N 6.195 126.383 120.570 -0.635 0.000 2.548 267 I HA 0.456 4.626 4.170 0.000 0.000 0.287 267 I C -1.716 174.012 176.117 -0.648 0.000 1.103 267 I CA -0.331 60.693 61.300 -0.460 0.000 1.049 267 I CB 1.486 39.366 38.000 -0.200 0.000 1.232 267 I HN 0.824 nan 8.210 nan 0.000 0.429 268 E N 6.587 126.509 120.200 -0.463 0.000 2.207 268 E HA 0.429 4.779 4.350 0.000 0.000 0.270 268 E C -1.322 175.235 176.600 -0.073 0.000 0.927 268 E CA -0.764 55.464 56.400 -0.288 0.000 0.799 268 E CB 1.737 31.389 29.700 -0.080 0.000 1.172 268 E HN 0.680 nan 8.360 nan 0.000 0.404 269 N N 3.533 122.230 118.700 -0.006 0.000 2.483 269 N HA 0.165 4.905 4.740 0.000 0.000 0.267 269 N C -1.349 174.283 175.510 0.204 0.000 0.998 269 N CA -0.407 52.728 53.050 0.142 0.000 0.918 269 N CB 1.479 40.139 38.487 0.290 0.000 1.215 269 N HN 0.266 nan 8.380 nan 0.000 0.500 270 K N 2.794 123.285 120.400 0.153 0.000 2.274 270 K HA 0.352 4.672 4.320 0.000 0.000 0.262 270 K C -0.948 175.718 176.600 0.110 0.000 0.961 270 K CA -0.542 55.831 56.287 0.143 0.000 0.833 270 K CB 1.281 33.845 32.500 0.105 0.000 1.102 270 K HN 0.131 nan 8.250 nan 0.000 0.436 271 V N 6.318 126.301 119.914 0.115 0.000 2.406 271 V HA 0.257 4.377 4.120 0.000 0.000 0.272 271 V C 0.194 176.279 176.094 -0.014 0.000 1.043 271 V CA -0.629 61.697 62.300 0.043 0.000 0.915 271 V CB 0.714 32.570 31.823 0.054 0.000 0.988 271 V HN 0.685 nan 8.190 nan 0.000 0.466 272 L N 4.574 125.742 121.223 -0.092 0.000 2.387 272 L HA 0.565 4.905 4.340 0.000 0.000 0.266 272 L C 0.279 176.908 176.870 -0.401 0.000 1.059 272 L CA -0.525 54.212 54.840 -0.172 0.000 0.801 272 L CB 1.059 43.038 42.059 -0.132 0.000 1.223 272 L HN 0.569 nan 8.230 nan 0.000 0.456 273 Q N 1.786 121.315 119.800 -0.451 0.000 2.928 273 Q HA 0.260 4.601 4.340 0.000 0.000 0.353 273 Q C -2.391 173.442 176.000 -0.278 0.000 0.870 273 Q CA -1.484 53.887 55.803 -0.721 0.000 0.963 273 Q CB 1.031 29.253 28.738 -0.860 0.000 1.419 273 Q HN 0.379 nan 8.270 nan 0.000 0.396 274 P HA 0.144 nan 4.420 nan 0.000 0.276 274 P C -0.578 176.838 177.300 0.192 0.000 1.235 274 P CA -0.253 62.871 63.100 0.040 0.000 0.772 274 P CB 1.135 32.812 31.700 -0.039 0.000 0.871 275 K N 1.614 122.110 120.400 0.160 0.000 2.130 275 K HA 0.363 4.683 4.320 0.000 0.000 0.268 275 K C 0.660 177.248 176.600 -0.021 0.000 0.983 275 K CA -0.430 55.901 56.287 0.074 0.000 0.893 275 K CB 1.706 34.228 32.500 0.038 0.000 1.066 275 K HN 0.592 nan 8.250 nan 0.000 0.450 276 S N 1.846 117.331 115.700 -0.358 0.000 2.687 276 S HA 0.570 5.040 4.470 0.000 0.000 0.283 276 S C -2.286 172.264 174.600 -0.085 0.000 1.170 276 S CA -1.250 56.609 58.200 -0.569 0.000 1.008 276 S CB 1.052 63.639 63.200 -1.020 0.000 1.026 276 S HN 0.325 nan 8.310 nan 0.000 0.541 277 P HA 0.121 nan 4.420 nan 0.000 0.272 277 P C -0.815 176.572 177.300 0.145 0.000 1.230 277 P CA -0.310 62.842 63.100 0.086 0.000 0.788 277 P CB 0.241 32.006 31.700 0.108 0.000 0.949 278 Q N 1.189 121.043 119.800 0.089 0.000 2.330 278 Q HA 0.109 4.450 4.340 0.000 0.000 0.279 278 Q C -0.302 175.805 176.000 0.178 0.000 1.024 278 Q CA 0.608 56.442 55.803 0.053 0.000 0.900 278 Q CB 0.284 29.006 28.738 -0.028 0.000 1.221 278 Q HN 0.532 nan 8.270 nan 0.000 0.396 279 W N 0.802 122.134 121.300 0.053 0.000 2.936 279 W HA 0.597 5.258 4.660 0.000 0.000 0.338 279 W C -1.321 175.265 176.519 0.111 0.000 1.121 279 W CA -1.045 56.346 57.345 0.077 0.000 1.209 279 W CB 0.733 30.249 29.460 0.094 0.000 1.420 279 W HN 0.309 nan 8.180 nan 0.000 0.516 280 T N 2.186 116.888 114.554 0.246 0.000 2.887 280 T HA 0.536 4.887 4.350 0.000 0.000 0.288 280 T C -0.386 174.437 174.700 0.206 0.000 1.021 280 T CA -0.548 61.610 62.100 0.097 0.000 1.000 280 T CB 2.178 71.057 68.868 0.017 0.000 1.034 280 T HN 0.494 nan 8.240 nan 0.000 0.467 281 V N 0.156 120.146 119.914 0.126 0.000 2.487 281 V HA 0.835 4.955 4.120 0.000 0.000 0.298 281 V C -0.457 175.615 176.094 -0.038 0.000 1.028 281 V CA -0.617 61.738 62.300 0.091 0.000 0.860 281 V CB 1.513 33.383 31.823 0.077 0.000 0.991 281 V HN 0.864 nan 8.190 nan 0.000 0.427 282 T N 4.138 118.654 114.554 -0.063 0.000 2.809 282 T HA 0.699 5.050 4.350 0.000 0.000 0.284 282 T C 0.097 174.679 174.700 -0.197 0.000 0.992 282 T CA -0.272 61.754 62.100 -0.123 0.000 0.957 282 T CB 1.437 70.269 68.868 -0.060 0.000 0.942 282 T HN 1.178 nan 8.240 nan 0.000 0.439 283 S N 2.494 117.963 115.700 -0.385 0.000 2.689 283 S HA 0.496 4.967 4.470 0.000 0.000 0.306 283 S C 1.283 175.616 174.600 -0.445 0.000 1.104 283 S CA -1.170 56.702 58.200 -0.546 0.000 0.973 283 S CB 1.024 63.482 63.200 -1.236 0.000 1.121 283 S HN 0.910 nan 8.310 nan 0.000 0.523 284 W N 0.759 121.918 121.300 -0.235 0.000 2.468 284 W HA -0.009 4.652 4.660 0.000 0.000 0.262 284 W C 0.651 177.175 176.519 0.008 0.000 1.241 284 W CA 0.631 57.939 57.345 -0.061 0.000 1.232 284 W CB -0.991 28.491 29.460 0.037 0.000 1.124 284 W HN 0.738 nan 8.180 nan 0.000 0.597 285 F N 0.339 119.786 119.950 -0.839 0.000 2.682 285 F HA 0.508 5.035 4.527 0.000 0.000 0.308 285 F C 0.287 175.857 175.800 -0.384 0.000 1.093 285 F CA -0.620 56.904 58.000 -0.794 0.000 1.244 285 F CB -0.601 37.480 39.000 -1.531 0.000 1.052 285 F HN -0.041 nan 8.300 nan 0.000 0.573 286 Q N 1.262 120.739 119.800 -0.538 0.000 2.594 286 Q HA 0.307 4.647 4.340 0.000 0.000 0.278 286 Q C -2.016 173.852 176.000 -0.219 0.000 0.961 286 Q CA -0.812 54.849 55.803 -0.238 0.000 0.844 286 Q CB 2.257 30.924 28.738 -0.118 0.000 1.475 286 Q HN 0.278 nan 8.270 nan 0.000 0.389 287 K N 2.475 122.860 120.400 -0.025 0.000 2.579 287 K HA 0.463 4.783 4.320 0.000 0.000 0.250 287 K C -2.173 174.476 176.600 0.083 0.000 0.952 287 K CA -0.309 55.965 56.287 -0.023 0.000 0.857 287 K CB 1.012 33.482 32.500 -0.049 0.000 1.123 287 K HN 0.476 nan 8.250 nan 0.000 0.433 288 Y N 0.876 121.030 120.300 -0.242 0.000 2.499 288 Y HA 0.392 4.942 4.550 0.000 0.000 0.347 288 Y C -0.285 175.330 175.900 -0.475 0.000 0.987 288 Y CA -0.513 57.358 58.100 -0.382 0.000 1.044 288 Y CB 2.669 40.833 38.460 -0.495 0.000 1.245 288 Y HN 0.443 nan 8.280 nan 0.000 0.461 289 T N 3.582 117.746 114.554 -0.650 0.000 2.855 289 T HA 0.607 4.957 4.350 0.000 0.000 0.281 289 T C -1.464 172.682 174.700 -0.925 0.000 1.007 289 T CA -0.582 61.156 62.100 -0.604 0.000 1.009 289 T CB 0.676 69.301 68.868 -0.405 0.000 0.983 289 T HN 0.322 nan 8.240 nan 0.000 0.455 290 Y N 1.504 121.325 120.300 -0.799 0.000 2.605 290 Y HA 0.483 5.033 4.550 0.000 0.000 0.343 290 Y C 0.812 176.348 175.900 -0.605 0.000 1.036 290 Y CA -1.296 56.362 58.100 -0.736 0.000 1.065 290 Y CB 1.391 39.256 38.460 -0.991 0.000 1.288 290 Y HN 0.648 nan 8.280 nan 0.000 0.481 291 N N -0.719 117.937 118.700 -0.073 0.000 2.466 291 N HA 0.145 4.885 4.740 0.000 0.000 0.272 291 N C -1.405 174.158 175.510 0.087 0.000 1.455 291 N CA -0.185 52.873 53.050 0.012 0.000 0.875 291 N CB 0.431 38.900 38.487 -0.030 0.000 1.372 291 N HN 0.550 nan 8.380 nan 0.000 0.492 292 D N -0.117 120.430 120.400 0.244 0.000 2.457 292 D HA 0.217 4.857 4.640 0.000 0.000 0.240 292 D C 0.150 176.619 176.300 0.282 0.000 1.041 292 D CA -0.467 53.654 54.000 0.201 0.000 0.861 292 D CB 1.634 42.545 40.800 0.185 0.000 1.394 292 D HN -0.017 nan 8.370 nan 0.000 0.473 293 Y N 0.377 120.844 120.300 0.278 0.000 2.457 293 Y HA 0.007 4.558 4.550 0.000 0.000 0.292 293 Y C 1.498 177.457 175.900 0.099 0.000 1.125 293 Y CA 0.458 58.672 58.100 0.191 0.000 1.254 293 Y CB 0.607 39.218 38.460 0.252 0.000 1.012 293 Y HN 0.206 nan 8.280 nan 0.000 0.555 294 S N -1.202 114.645 115.700 0.244 0.000 2.636 294 S HA 0.099 4.569 4.470 0.000 0.000 0.266 294 S C -0.421 174.149 174.600 -0.051 0.000 1.147 294 S CA -0.323 57.930 58.200 0.087 0.000 0.815 294 S CB 0.580 63.784 63.200 0.008 0.000 1.119 294 S HN 0.276 nan 8.310 nan 0.000 0.470 295 D N 0.286 120.540 120.400 -0.243 0.000 2.347 295 D HA 0.033 4.673 4.640 0.000 0.000 0.213 295 D C 0.326 176.495 176.300 -0.217 0.000 0.985 295 D CA 0.726 54.536 54.000 -0.316 0.000 0.879 295 D CB -0.369 40.158 40.800 -0.454 0.000 0.919 295 D HN 0.546 nan 8.370 nan 0.000 0.526 296 H N -0.668 118.350 119.070 -0.086 0.000 2.502 296 H HA 0.267 4.823 4.556 0.000 0.000 0.338 296 H C -0.622 174.710 175.328 0.007 0.000 1.155 296 H CA -0.574 55.471 56.048 -0.006 0.000 1.237 296 H CB 1.245 31.059 29.762 0.087 0.000 1.534 296 H HN -0.002 nan 8.280 nan 0.000 0.523 297 Y N 1.867 122.261 120.300 0.156 0.000 2.376 297 Y HA 0.190 4.740 4.550 0.000 0.000 0.325 297 Y C -1.738 174.032 175.900 -0.215 0.000 1.199 297 Y CA -2.044 56.025 58.100 -0.052 0.000 1.206 297 Y CB 1.457 39.868 38.460 -0.081 0.000 1.229 297 Y HN 0.451 nan 8.280 nan 0.000 0.480 298 P HA 0.171 nan 4.420 nan 0.000 0.279 298 P C -1.182 176.033 177.300 -0.142 0.000 1.252 298 P CA -0.267 62.554 63.100 -0.466 0.000 0.811 298 P CB 2.008 33.261 31.700 -0.745 0.000 1.035 299 V N 1.860 121.744 119.914 -0.050 0.000 2.409 299 V HA 0.291 4.411 4.120 0.000 0.000 0.291 299 V C 0.302 176.422 176.094 0.044 0.000 1.020 299 V CA -0.476 61.830 62.300 0.009 0.000 0.848 299 V CB 1.238 33.078 31.823 0.028 0.000 0.990 299 V HN 0.589 nan 8.190 nan 0.000 0.430 300 E N 3.611 123.846 120.200 0.058 0.000 2.113 300 E HA 0.691 5.041 4.350 0.000 0.000 0.273 300 E C -0.439 176.207 176.600 0.077 0.000 0.924 300 E CA -0.520 55.921 56.400 0.069 0.000 0.764 300 E CB 1.437 31.180 29.700 0.072 0.000 1.104 300 E HN 0.844 nan 8.360 nan 0.000 0.406 301 A N 3.714 126.576 122.820 0.070 0.000 2.305 301 A HA 0.528 4.848 4.320 0.000 0.000 0.322 301 A C -0.513 177.101 177.584 0.050 0.000 1.187 301 A CA -0.552 51.520 52.037 0.059 0.000 0.825 301 A CB 1.545 20.580 19.000 0.057 0.000 1.164 301 A HN 0.586 nan 8.150 nan 0.000 0.498 302 T N 2.765 117.348 114.554 0.047 0.000 2.791 302 T HA 0.548 4.898 4.350 0.000 0.000 0.288 302 T C -0.706 174.019 174.700 0.042 0.000 0.999 302 T CA 0.085 62.228 62.100 0.072 0.000 0.952 302 T CB 0.314 69.270 68.868 0.145 0.000 0.938 302 T HN 0.383 nan 8.240 nan 0.000 0.444 303 I N 2.388 122.958 120.570 -0.000 0.000 2.389 303 I HA 0.386 4.557 4.170 0.000 0.000 0.288 303 I C 0.439 176.513 176.117 -0.073 0.000 0.999 303 I CA -0.424 60.836 61.300 -0.067 0.000 1.129 303 I CB 1.966 39.863 38.000 -0.172 0.000 1.288 303 I HN 0.482 nan 8.210 nan 0.000 0.444 304 S N 7.055 122.759 115.700 0.006 0.000 2.523 304 S HA 0.661 5.132 4.470 0.000 0.000 0.275 304 S C -0.085 174.457 174.600 -0.097 0.000 1.281 304 S CA -0.417 57.787 58.200 0.006 0.000 1.050 304 S CB 0.260 63.525 63.200 0.108 0.000 0.937 304 S HN 0.497 nan 8.310 nan 0.000 0.492 305 M N 0.000 119.542 119.600 -0.097 0.000 2.572 305 M HA 0.000 4.480 4.480 0.000 0.000 0.227 305 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 305 M CB 0.000 32.544 32.600 -0.093 0.000 1.302 305 M HN 0.000 nan 8.290 nan 0.000 0.411