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 3io6_1_B DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDAA LAAAQTNAAA MATLEKLMKA FESLKSFQQQ QQQQQQQQQQ DATA SEQUENCE Q 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.566 176.600 -0.056 0.000 0.988 1 K CA 0.000 56.258 56.287 -0.048 0.000 0.838 1 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 2 I N 1.556 122.087 120.570 -0.065 0.000 3.883 2 I HA 0.053 4.223 4.170 -0.001 0.000 0.326 2 I C -0.739 175.345 176.117 -0.055 0.000 1.283 2 I CA 0.370 61.625 61.300 -0.076 0.000 1.161 2 I CB 0.004 37.944 38.000 -0.099 0.000 1.012 2 I HN 0.089 nan 8.210 nan 0.000 0.421 3 E N 2.199 122.375 120.200 -0.040 0.000 6.890 3 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 3 E C -0.152 176.433 176.600 -0.026 0.000 1.108 3 E CA 0.131 56.515 56.400 -0.027 0.000 1.547 3 E CB -0.751 28.938 29.700 -0.019 0.000 0.935 3 E HN 0.443 nan 8.360 nan 0.000 0.290 4 E N 0.419 120.606 120.200 -0.021 0.000 2.331 4 E HA 0.346 4.696 4.350 -0.001 0.000 0.272 4 E C 1.238 177.834 176.600 -0.007 0.000 1.036 4 E CA 0.882 57.272 56.400 -0.016 0.000 0.864 4 E CB 0.815 30.506 29.700 -0.015 0.000 1.035 4 E HN 0.690 nan 8.360 nan 0.000 0.408 5 G N 3.525 112.325 108.800 -0.000 0.000 2.194 5 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.236 5 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.236 5 G C -0.106 174.804 174.900 0.017 0.000 0.987 5 G CA 0.623 45.729 45.100 0.010 0.000 0.635 5 G HN 0.619 nan 8.290 nan 0.000 0.520 6 K N -0.573 119.831 120.400 0.005 0.000 2.480 6 K HA 0.855 5.174 4.320 -0.001 0.000 0.258 6 K C -0.773 175.810 176.600 -0.029 0.000 0.990 6 K CA -1.284 55.005 56.287 0.002 0.000 0.857 6 K CB 1.726 34.226 32.500 0.000 0.000 1.384 6 K HN 0.137 nan 8.250 nan 0.000 0.446 7 L N 1.497 122.684 121.223 -0.060 0.000 2.331 7 L HA 0.623 4.962 4.340 -0.001 0.000 0.275 7 L C -0.928 175.885 176.870 -0.095 0.000 1.022 7 L CA -1.327 53.438 54.840 -0.125 0.000 0.812 7 L CB 1.993 43.889 42.059 -0.272 0.000 1.257 7 L HN 0.540 nan 8.230 nan 0.000 0.435 8 V N 4.696 124.558 119.914 -0.088 0.000 2.524 8 V HA 0.521 4.641 4.120 -0.001 0.000 0.297 8 V C -0.640 175.446 176.094 -0.013 0.000 1.035 8 V CA -0.203 62.084 62.300 -0.023 0.000 0.867 8 V CB 1.619 33.449 31.823 0.010 0.000 1.004 8 V HN 0.545 nan 8.190 nan 0.000 0.426 9 I N 6.653 127.274 120.570 0.084 0.000 2.412 9 I HA 0.501 4.671 4.170 -0.001 0.000 0.296 9 I C -0.942 175.448 176.117 0.455 0.000 0.987 9 I CA -0.466 60.951 61.300 0.194 0.000 1.180 9 I CB 1.788 39.890 38.000 0.169 0.000 1.340 9 I HN 0.535 nan 8.210 nan 0.000 0.455 10 W N 7.002 128.414 121.300 0.186 0.000 2.520 10 W HA 0.723 5.383 4.660 -0.001 0.000 0.323 10 W C -0.341 176.356 176.519 0.296 0.000 1.062 10 W CA -0.960 56.497 57.345 0.186 0.000 1.215 10 W CB 1.290 30.842 29.460 0.152 0.000 1.340 10 W HN 0.217 nan 8.180 nan 0.000 0.516 11 I N 2.684 123.499 120.570 0.409 0.000 2.918 11 I HA 0.291 4.460 4.170 -0.001 0.000 0.301 11 I C -0.716 175.556 176.117 0.258 0.000 1.312 11 I CA -0.838 60.667 61.300 0.342 0.000 1.007 11 I CB 1.856 39.920 38.000 0.107 0.000 1.281 11 I HN 0.266 nan 8.210 nan 0.000 0.440 12 N N 3.322 122.191 118.700 0.282 0.000 2.513 12 N HA 0.237 4.977 4.740 -0.001 0.000 0.268 12 N C 1.105 176.690 175.510 0.125 0.000 1.180 12 N CA 1.160 54.352 53.050 0.237 0.000 0.948 12 N CB 1.665 40.309 38.487 0.262 0.000 1.083 12 N HN 0.757 nan 8.380 nan 0.000 0.455 13 G N 2.330 111.187 108.800 0.095 0.000 2.517 13 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.222 13 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.222 13 G C 1.029 175.986 174.900 0.095 0.000 1.109 13 G CA 1.319 46.430 45.100 0.019 0.000 0.746 13 G HN 0.864 nan 8.290 nan 0.000 0.576 14 D N 0.047 120.484 120.400 0.062 0.000 2.264 14 D HA -0.031 4.609 4.640 -0.001 0.000 0.208 14 D C 1.070 177.377 176.300 0.012 0.000 0.966 14 D CA 0.651 54.668 54.000 0.028 0.000 0.864 14 D CB -0.010 40.786 40.800 -0.006 0.000 0.933 14 D HN 0.076 nan 8.370 nan 0.000 0.499 15 K N 0.258 120.673 120.400 0.025 0.000 2.127 15 K HA 0.421 4.741 4.320 -0.001 0.000 0.240 15 K C 0.911 177.497 176.600 -0.023 0.000 1.024 15 K CA -0.382 55.902 56.287 -0.006 0.000 0.918 15 K CB 0.571 33.061 32.500 -0.017 0.000 1.108 15 K HN 0.066 nan 8.250 nan 0.000 0.485 16 G N 1.787 110.545 108.800 -0.070 0.000 3.197 16 G HA2 0.033 3.992 3.960 -0.001 0.000 0.257 16 G HA3 0.033 3.992 3.960 -0.001 0.000 0.257 16 G C 0.851 175.665 174.900 -0.144 0.000 0.835 16 G CA -0.074 44.944 45.100 -0.136 0.000 2.001 16 G HN 0.617 nan 8.290 nan 0.000 0.625 17 Y N -0.385 119.844 120.300 -0.119 0.000 2.293 17 Y HA -0.076 4.474 4.550 -0.001 0.000 0.291 17 Y C 2.008 177.875 175.900 -0.055 0.000 1.137 17 Y CA 1.240 59.278 58.100 -0.104 0.000 1.202 17 Y CB -0.444 37.941 38.460 -0.125 0.000 0.990 17 Y HN 0.336 nan 8.280 nan 0.000 0.537 18 N N 0.518 118.923 118.700 -0.490 0.000 2.270 18 N HA -0.020 4.720 4.740 -0.001 0.000 0.181 18 N C 2.120 177.566 175.510 -0.106 0.000 1.016 18 N CA 0.970 53.872 53.050 -0.247 0.000 0.870 18 N CB -0.395 37.874 38.487 -0.364 0.000 0.979 18 N HN 0.574 nan 8.380 nan 0.000 0.431 19 G N 0.817 109.542 108.800 -0.125 0.000 2.402 19 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 19 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 19 G C 1.404 176.297 174.900 -0.011 0.000 1.162 19 G CA 0.354 45.419 45.100 -0.059 0.000 0.777 19 G HN 0.174 nan 8.290 nan 0.000 0.539 20 L N 1.340 122.560 121.223 -0.006 0.000 2.093 20 L HA 0.207 4.546 4.340 -0.001 0.000 0.208 20 L C 3.013 179.960 176.870 0.130 0.000 1.085 20 L CA 1.956 56.828 54.840 0.053 0.000 0.755 20 L CB -0.601 41.451 42.059 -0.011 0.000 0.904 20 L HN 0.222 nan 8.230 nan 0.000 0.435 21 A N -0.953 121.932 122.820 0.108 0.000 1.972 21 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 21 A C 2.128 179.782 177.584 0.115 0.000 1.169 21 A CA 1.534 53.644 52.037 0.121 0.000 0.635 21 A CB -0.499 18.576 19.000 0.125 0.000 0.810 21 A HN 0.505 nan 8.150 nan 0.000 0.446 22 E N -0.041 120.212 120.200 0.087 0.000 2.077 22 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 22 E C 2.160 178.832 176.600 0.120 0.000 0.989 22 E CA 1.472 57.922 56.400 0.082 0.000 0.800 22 E CB -0.593 29.135 29.700 0.047 0.000 0.746 22 E HN 0.426 nan 8.360 nan 0.000 0.452 23 V N 0.741 120.740 119.914 0.142 0.000 2.626 23 V HA -0.125 3.995 4.120 -0.001 0.000 0.252 23 V C 2.337 178.643 176.094 0.353 0.000 1.067 23 V CA 1.598 64.013 62.300 0.193 0.000 1.081 23 V CB -1.027 30.867 31.823 0.119 0.000 0.686 23 V HN 0.273 nan 8.190 nan 0.000 0.468 24 G N 1.926 110.928 108.800 0.337 0.000 2.480 24 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.216 24 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.216 24 G C 1.445 176.487 174.900 0.236 0.000 1.200 24 G CA 1.181 46.449 45.100 0.280 0.000 0.782 24 G HN 0.661 nan 8.290 nan 0.000 0.554 25 K N 0.546 121.047 120.400 0.169 0.000 2.486 25 K HA 0.237 4.556 4.320 -0.001 0.000 0.194 25 K C 1.798 178.478 176.600 0.133 0.000 1.033 25 K CA 1.095 57.460 56.287 0.130 0.000 1.004 25 K CB 0.182 32.737 32.500 0.092 0.000 0.798 25 K HN 0.319 nan 8.250 nan 0.000 0.495 26 K N 0.988 121.494 120.400 0.176 0.000 2.031 26 K HA -0.017 4.302 4.320 -0.001 0.000 0.205 26 K C 1.599 178.310 176.600 0.185 0.000 1.049 26 K CA 0.920 57.318 56.287 0.186 0.000 0.939 26 K CB -0.511 32.123 32.500 0.224 0.000 0.717 26 K HN 0.173 nan 8.250 nan 0.000 0.438 27 F N 1.702 121.643 119.950 -0.017 0.000 2.250 27 F HA -0.102 4.425 4.527 -0.001 0.000 0.301 27 F C 1.745 177.470 175.800 -0.125 0.000 1.077 27 F CA 1.553 59.379 58.000 -0.289 0.000 1.348 27 F CB -0.006 38.868 39.000 -0.210 0.000 1.040 27 F HN 0.217 nan 8.300 nan 0.000 0.509 28 E N 0.317 120.544 120.200 0.045 0.000 2.006 28 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 28 E C 2.109 178.666 176.600 -0.071 0.000 0.993 28 E CA 1.612 58.002 56.400 -0.017 0.000 0.808 28 E CB -0.104 29.627 29.700 0.051 0.000 0.764 28 E HN 0.295 nan 8.360 nan 0.000 0.449 29 K N 0.302 120.691 120.400 -0.018 0.000 2.218 29 K HA -0.187 4.133 4.320 -0.001 0.000 0.205 29 K C 1.139 177.714 176.600 -0.040 0.000 1.046 29 K CA 1.588 57.867 56.287 -0.013 0.000 0.933 29 K CB -0.007 32.505 32.500 0.021 0.000 0.728 29 K HN 0.134 nan 8.250 nan 0.000 0.454 30 D N -1.420 118.932 120.400 -0.080 0.000 2.366 30 D HA -0.028 4.612 4.640 -0.001 0.000 0.205 30 D C 1.256 177.449 176.300 -0.179 0.000 1.022 30 D CA 1.036 54.992 54.000 -0.072 0.000 0.868 30 D CB 0.625 41.466 40.800 0.069 0.000 0.953 30 D HN 0.292 nan 8.370 nan 0.000 0.514 31 T N -4.726 109.621 114.554 -0.344 0.000 3.041 31 T HA 0.357 4.707 4.350 -0.001 0.000 0.276 31 T C 1.468 176.033 174.700 -0.224 0.000 0.948 31 T CA 0.165 62.056 62.100 -0.347 0.000 0.885 31 T CB 0.829 69.314 68.868 -0.638 0.000 1.175 31 T HN 0.086 nan 8.240 nan 0.000 0.529 32 G N 1.846 110.538 108.800 -0.180 0.000 2.256 32 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.272 32 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.272 32 G C -0.223 174.645 174.900 -0.054 0.000 1.076 32 G CA 0.120 45.168 45.100 -0.087 0.000 0.882 32 G HN 0.700 nan 8.290 nan 0.000 0.497 33 I N -0.250 120.292 120.570 -0.046 0.000 2.468 33 I HA 0.306 4.475 4.170 -0.001 0.000 0.285 33 I C 0.154 176.338 176.117 0.111 0.000 1.039 33 I CA -0.964 60.370 61.300 0.057 0.000 1.074 33 I CB 1.785 39.880 38.000 0.158 0.000 1.228 33 I HN -0.023 nan 8.210 nan 0.000 0.436 34 K N 5.183 125.621 120.400 0.063 0.000 2.383 34 K HA 0.342 4.662 4.320 -0.001 0.000 0.286 34 K C -0.775 175.840 176.600 0.024 0.000 1.051 34 K CA -0.170 56.145 56.287 0.047 0.000 0.974 34 K CB 0.856 33.373 32.500 0.028 0.000 0.968 34 K HN 0.282 nan 8.250 nan 0.000 0.475 35 V N 3.859 123.778 119.914 0.010 0.000 2.313 35 V HA 0.146 4.265 4.120 -0.001 0.000 0.278 35 V C -0.291 175.780 176.094 -0.038 0.000 1.017 35 V CA -0.795 61.454 62.300 -0.085 0.000 0.823 35 V CB 1.337 33.031 31.823 -0.214 0.000 1.010 35 V HN 0.748 nan 8.190 nan 0.000 0.443 36 T N 4.596 119.137 114.554 -0.022 0.000 2.744 36 T HA 0.452 4.801 4.350 -0.001 0.000 0.291 36 T C -0.057 174.679 174.700 0.060 0.000 0.957 36 T CA -0.350 61.768 62.100 0.030 0.000 1.002 36 T CB 1.408 70.302 68.868 0.042 0.000 0.919 36 T HN 0.317 nan 8.240 nan 0.000 0.468 37 V N 4.584 124.551 119.914 0.089 0.000 2.304 37 V HA 0.285 4.405 4.120 -0.001 0.000 0.269 37 V C 0.320 176.488 176.094 0.123 0.000 1.036 37 V CA -0.718 61.663 62.300 0.134 0.000 0.840 37 V CB 0.370 32.285 31.823 0.155 0.000 1.036 37 V HN 0.840 nan 8.190 nan 0.000 0.466 38 E N 3.196 123.473 120.200 0.128 0.000 2.242 38 E HA 0.550 4.899 4.350 -0.001 0.000 0.275 38 E C -0.685 175.834 176.600 -0.134 0.000 1.002 38 E CA -0.679 55.688 56.400 -0.056 0.000 0.841 38 E CB 1.334 31.001 29.700 -0.054 0.000 1.109 38 E HN 0.954 nan 8.360 nan 0.000 0.394 39 H N -0.307 118.559 119.070 -0.341 0.000 2.448 39 H HA 0.370 4.925 4.556 -0.001 0.000 0.237 39 H C -2.734 172.391 175.328 -0.338 0.000 1.391 39 H CA -2.279 53.559 56.048 -0.350 0.000 1.477 39 H CB -0.092 29.396 29.762 -0.456 0.000 1.520 39 H HN 0.214 nan 8.280 nan 0.000 0.502 40 P HA 0.188 nan 4.420 nan 0.000 0.282 40 P C -0.183 176.963 177.300 -0.258 0.000 1.259 40 P CA -0.547 62.298 63.100 -0.424 0.000 0.826 40 P CB 1.533 32.855 31.700 -0.630 0.000 1.064 41 D N 1.236 121.526 120.400 -0.184 0.000 2.382 41 D HA -0.016 4.623 4.640 -0.001 0.000 0.240 41 D C 0.512 176.748 176.300 -0.107 0.000 1.146 41 D CA 0.264 54.203 54.000 -0.100 0.000 0.897 41 D CB 0.529 41.283 40.800 -0.076 0.000 1.197 41 D HN 0.495 nan 8.370 nan 0.000 0.432 42 K N 0.463 120.828 120.400 -0.060 0.000 3.415 42 K HA -0.234 4.085 4.320 -0.001 0.000 0.271 42 K C 1.010 177.538 176.600 -0.119 0.000 0.876 42 K CA 0.541 56.783 56.287 -0.074 0.000 0.670 42 K CB -1.884 30.585 32.500 -0.052 0.000 1.510 42 K HN 0.382 nan 8.250 nan 0.000 0.455 43 L N -0.670 120.461 121.223 -0.155 0.000 2.201 43 L HA -0.109 4.231 4.340 -0.001 0.000 0.212 43 L C 2.313 179.136 176.870 -0.078 0.000 1.105 43 L CA 1.609 56.362 54.840 -0.146 0.000 0.775 43 L CB -0.501 41.443 42.059 -0.191 0.000 0.913 43 L HN 0.427 nan 8.230 nan 0.000 0.440 44 E N 1.948 121.907 120.200 -0.401 0.000 2.409 44 E HA -0.264 4.086 4.350 -0.001 0.000 0.198 44 E C 1.482 177.998 176.600 -0.141 0.000 1.024 44 E CA 1.526 57.589 56.400 -0.562 0.000 0.861 44 E CB -0.335 28.418 29.700 -1.578 0.000 0.788 44 E HN 0.951 nan 8.360 nan 0.000 0.521 45 E N 0.409 120.564 120.200 -0.075 0.000 2.490 45 E HA 0.104 4.454 4.350 -0.001 0.000 0.209 45 E C 1.612 178.245 176.600 0.055 0.000 0.971 45 E CA -0.308 56.099 56.400 0.013 0.000 0.988 45 E CB 0.059 29.748 29.700 -0.019 0.000 1.029 45 E HN 0.049 nan 8.360 nan 0.000 0.496 46 K N 0.238 120.684 120.400 0.076 0.000 2.186 46 K HA 0.044 4.364 4.320 -0.001 0.000 0.202 46 K C 1.678 178.406 176.600 0.212 0.000 1.052 46 K CA 0.711 57.068 56.287 0.117 0.000 0.965 46 K CB -0.124 32.423 32.500 0.078 0.000 0.746 46 K HN 0.041 nan 8.250 nan 0.000 0.457 47 F N 3.094 123.139 119.950 0.158 0.000 2.095 47 F HA -0.130 4.397 4.527 -0.001 0.000 0.298 47 F C -1.221 174.473 175.800 -0.177 0.000 1.104 47 F CA 1.167 59.185 58.000 0.031 0.000 1.232 47 F CB -0.721 38.242 39.000 -0.061 0.000 0.987 47 F HN -0.018 nan 8.300 nan 0.000 0.475 48 P HA -0.111 nan 4.420 nan 0.000 0.230 48 P C 1.019 178.187 177.300 -0.220 0.000 1.158 48 P CA 1.384 64.326 63.100 -0.264 0.000 0.769 48 P CB -0.131 31.570 31.700 0.001 0.000 0.807 49 Q N -0.629 119.087 119.800 -0.141 0.000 2.163 49 Q HA -0.033 4.306 4.340 -0.001 0.000 0.198 49 Q C 1.965 177.878 176.000 -0.145 0.000 0.954 49 Q CA 1.328 57.069 55.803 -0.104 0.000 0.851 49 Q CB -0.216 28.504 28.738 -0.031 0.000 0.928 49 Q HN 0.226 nan 8.270 nan 0.000 0.459 50 V N -3.181 116.623 119.914 -0.183 0.000 2.825 50 V HA 0.200 4.319 4.120 -0.001 0.000 0.246 50 V C 2.033 177.927 176.094 -0.332 0.000 1.068 50 V CA 1.035 63.217 62.300 -0.196 0.000 1.088 50 V CB -0.620 31.141 31.823 -0.103 0.000 0.733 50 V HN 0.176 nan 8.190 nan 0.000 0.468 51 A N 0.936 123.414 122.820 -0.571 0.000 1.969 51 A HA 0.183 4.502 4.320 -0.001 0.000 0.218 51 A C 2.434 179.774 177.584 -0.406 0.000 1.169 51 A CA 1.889 53.537 52.037 -0.648 0.000 0.635 51 A CB -0.857 17.419 19.000 -1.206 0.000 0.810 51 A HN 0.868 nan 8.150 nan 0.000 0.445 52 A N -0.022 122.593 122.820 -0.342 0.000 1.908 52 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 52 A C 2.262 179.731 177.584 -0.192 0.000 1.181 52 A CA 2.317 54.213 52.037 -0.236 0.000 0.627 52 A CB -1.307 17.571 19.000 -0.205 0.000 0.818 52 A HN 0.829 nan 8.150 nan 0.000 0.445 53 T N -3.746 110.698 114.554 -0.182 0.000 3.219 53 T HA 0.401 4.750 4.350 -0.001 0.000 0.249 53 T C 1.144 175.760 174.700 -0.141 0.000 1.099 53 T CA 0.949 62.964 62.100 -0.141 0.000 0.988 53 T CB -0.392 68.409 68.868 -0.112 0.000 0.999 53 T HN 1.791 nan 8.240 nan 0.000 0.550 54 G N 0.789 109.484 108.800 -0.176 0.000 2.198 54 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.257 54 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.257 54 G C -0.309 174.494 174.900 -0.162 0.000 1.042 54 G CA 0.206 45.208 45.100 -0.163 0.000 0.791 54 G HN 0.816 nan 8.290 nan 0.000 0.502 55 D N -1.723 118.558 120.400 -0.198 0.000 2.758 55 D HA 0.782 5.421 4.640 -0.001 0.000 0.262 55 D C 0.998 177.138 176.300 -0.267 0.000 1.113 55 D CA 1.222 55.114 54.000 -0.179 0.000 1.114 55 D CB 1.023 41.750 40.800 -0.122 0.000 1.363 55 D HN 1.474 nan 8.370 nan 0.000 0.617 56 G N -0.525 108.131 108.800 -0.240 0.000 2.451 56 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.208 56 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.208 56 G C -2.583 172.027 174.900 -0.483 0.000 1.248 56 G CA -0.318 44.531 45.100 -0.418 0.000 0.989 56 G HN 0.595 nan 8.290 nan 0.000 0.559 57 P HA 0.371 nan 4.420 nan 0.000 0.282 57 P C -0.195 176.926 177.300 -0.299 0.000 1.287 57 P CA -0.115 62.593 63.100 -0.653 0.000 0.792 57 P CB 1.188 32.220 31.700 -1.113 0.000 1.163 58 D N -0.761 119.519 120.400 -0.200 0.000 2.259 58 D HA 0.165 4.804 4.640 -0.001 0.000 0.216 58 D C 0.558 176.800 176.300 -0.095 0.000 0.961 58 D CA 1.043 54.968 54.000 -0.124 0.000 0.878 58 D CB 0.484 41.217 40.800 -0.111 0.000 1.009 58 D HN 0.287 nan 8.370 nan 0.000 0.490 59 I N 1.325 121.844 120.570 -0.085 0.000 2.509 59 I HA 0.353 4.522 4.170 -0.001 0.000 0.293 59 I C -0.605 175.508 176.117 -0.006 0.000 1.020 59 I CA -0.776 60.495 61.300 -0.049 0.000 1.088 59 I CB 3.155 41.162 38.000 0.010 0.000 1.267 59 I HN -0.176 nan 8.210 nan 0.000 0.430 60 I N 5.143 125.671 120.570 -0.071 0.000 2.465 60 I HA 0.475 4.644 4.170 -0.001 0.000 0.291 60 I C -1.576 174.640 176.117 0.165 0.000 1.014 60 I CA -0.453 60.875 61.300 0.047 0.000 1.093 60 I CB 1.432 39.225 38.000 -0.345 0.000 1.267 60 I HN 0.343 nan 8.210 nan 0.000 0.431 61 F N 8.010 128.154 119.950 0.324 0.000 2.361 61 F HA 0.495 5.022 4.527 -0.001 0.000 0.364 61 F C -0.470 175.561 175.800 0.385 0.000 1.117 61 F CA -0.164 58.036 58.000 0.333 0.000 1.071 61 F CB 1.018 40.169 39.000 0.252 0.000 1.188 61 F HN 0.434 nan 8.300 nan 0.000 0.464 62 W N 2.060 123.414 121.300 0.090 0.000 3.005 62 W HA 0.660 5.319 4.660 -0.001 0.000 0.343 62 W C -1.215 175.116 176.519 -0.313 0.000 1.243 62 W CA -1.386 55.881 57.345 -0.130 0.000 1.186 62 W CB 1.775 31.105 29.460 -0.217 0.000 1.453 62 W HN 0.507 nan 8.180 nan 0.000 0.575 63 A N 1.367 123.852 122.820 -0.559 0.000 2.540 63 A HA 0.016 4.335 4.320 -0.001 0.000 0.239 63 A C 0.928 178.293 177.584 -0.366 0.000 1.061 63 A CA 1.127 52.946 52.037 -0.363 0.000 0.758 63 A CB -0.105 18.641 19.000 -0.425 0.000 0.991 63 A HN 0.808 nan 8.150 nan 0.000 0.502 64 H N 1.241 120.180 119.070 -0.219 0.000 2.422 64 H HA -0.184 4.372 4.556 -0.001 0.000 0.298 64 H C 1.179 176.458 175.328 -0.082 0.000 1.098 64 H CA 1.820 57.787 56.048 -0.135 0.000 1.315 64 H CB -0.417 29.393 29.762 0.080 0.000 1.382 64 H HN 0.785 nan 8.280 nan 0.000 0.523 65 D N 0.315 120.195 120.400 -0.866 0.000 2.158 65 D HA -0.268 4.372 4.640 -0.001 0.000 0.197 65 D C 2.163 178.313 176.300 -0.250 0.000 0.995 65 D CA 1.395 55.090 54.000 -0.508 0.000 0.846 65 D CB -0.224 40.305 40.800 -0.451 0.000 0.941 65 D HN 0.296 nan 8.370 nan 0.000 0.456 66 R N -1.074 119.252 120.500 -0.290 0.000 2.236 66 R HA 0.079 4.419 4.340 -0.001 0.000 0.208 66 R C 1.404 177.379 176.300 -0.541 0.000 1.036 66 R CA 0.480 56.349 56.100 -0.386 0.000 1.001 66 R CB -0.612 29.460 30.300 -0.379 0.000 0.896 66 R HN 0.165 nan 8.270 nan 0.000 0.464 67 F N -0.597 119.158 119.950 -0.325 0.000 2.293 67 F HA 0.158 4.684 4.527 -0.001 0.000 0.300 67 F C 2.259 177.954 175.800 -0.175 0.000 1.086 67 F CA 1.027 58.905 58.000 -0.202 0.000 1.375 67 F CB -1.112 37.908 39.000 0.033 0.000 1.045 67 F HN 0.191 nan 8.300 nan 0.000 0.516 68 G N -0.017 108.797 108.800 0.025 0.000 2.476 68 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 68 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 68 G C 2.070 176.783 174.900 -0.312 0.000 1.164 68 G CA 0.969 45.980 45.100 -0.147 0.000 0.768 68 G HN 0.495 nan 8.290 nan 0.000 0.560 69 G N -0.952 107.754 108.800 -0.156 0.000 2.484 69 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.218 69 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.218 69 G C 1.566 176.507 174.900 0.068 0.000 1.130 69 G CA 0.725 45.778 45.100 -0.078 0.000 0.784 69 G HN 0.382 nan 8.290 nan 0.000 0.543 70 Y N 0.996 121.292 120.300 -0.006 0.000 2.243 70 Y HA 0.217 4.767 4.550 -0.001 0.000 0.293 70 Y C 3.012 178.868 175.900 -0.073 0.000 1.124 70 Y CA -0.078 58.049 58.100 0.044 0.000 1.159 70 Y CB -1.017 37.562 38.460 0.199 0.000 1.008 70 Y HN 0.235 nan 8.280 nan 0.000 0.527 71 A N -0.170 122.632 122.820 -0.031 0.000 1.972 71 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 71 A C 2.221 179.658 177.584 -0.245 0.000 1.169 71 A CA 1.281 53.198 52.037 -0.200 0.000 0.635 71 A CB -0.493 18.281 19.000 -0.377 0.000 0.810 71 A HN 0.317 nan 8.150 nan 0.000 0.446 72 Q N 0.251 119.855 119.800 -0.327 0.000 2.030 72 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 72 Q C 2.124 178.095 176.000 -0.049 0.000 0.986 72 Q CA 2.010 57.724 55.803 -0.148 0.000 0.843 72 Q CB -0.483 28.195 28.738 -0.101 0.000 0.904 72 Q HN 0.628 nan 8.270 nan 0.000 0.420 73 S N -0.878 114.802 115.700 -0.033 0.000 2.607 73 S HA 0.124 4.594 4.470 -0.001 0.000 0.224 73 S C 1.176 175.748 174.600 -0.047 0.000 0.969 73 S CA 0.627 58.807 58.200 -0.033 0.000 0.927 73 S CB 0.132 63.317 63.200 -0.024 0.000 0.772 73 S HN 0.621 nan 8.310 nan 0.000 0.533 74 G N 1.429 110.205 108.800 -0.039 0.000 2.155 74 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.257 74 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.257 74 G C 0.609 175.477 174.900 -0.053 0.000 0.983 74 G CA 0.494 45.570 45.100 -0.041 0.000 0.676 74 G HN 0.538 nan 8.290 nan 0.000 0.528 75 L N -0.750 120.442 121.223 -0.051 0.000 2.362 75 L HA 0.244 4.583 4.340 -0.001 0.000 0.219 75 L C 1.417 178.272 176.870 -0.026 0.000 1.134 75 L CA 0.650 55.442 54.840 -0.081 0.000 0.807 75 L CB -0.173 41.813 42.059 -0.120 0.000 0.927 75 L HN 0.250 nan 8.230 nan 0.000 0.447 76 L N 0.293 121.503 121.223 -0.022 0.000 2.296 76 L HA 0.569 4.908 4.340 -0.001 0.000 0.286 76 L C 0.181 177.013 176.870 -0.063 0.000 1.023 76 L CA -0.626 54.177 54.840 -0.062 0.000 0.812 76 L CB 1.515 43.485 42.059 -0.149 0.000 1.223 76 L HN -0.091 nan 8.230 nan 0.000 0.421 77 A N 2.658 125.442 122.820 -0.061 0.000 2.363 77 A HA 0.220 4.539 4.320 -0.001 0.000 0.270 77 A C 0.156 177.711 177.584 -0.049 0.000 1.121 77 A CA -0.372 51.638 52.037 -0.046 0.000 0.800 77 A CB 0.405 19.384 19.000 -0.035 0.000 1.052 77 A HN 0.812 nan 8.150 nan 0.000 0.493 78 E N 1.727 121.905 120.200 -0.036 0.000 2.465 78 E HA 0.188 4.538 4.350 -0.001 0.000 0.260 78 E C -0.146 176.427 176.600 -0.045 0.000 0.980 78 E CA -0.060 56.316 56.400 -0.041 0.000 0.927 78 E CB 0.124 29.807 29.700 -0.028 0.000 0.934 78 E HN 0.549 nan 8.360 nan 0.000 0.459 79 I N 1.496 122.017 120.570 -0.082 0.000 2.499 79 I HA 0.345 4.515 4.170 -0.001 0.000 0.296 79 I C 0.013 176.089 176.117 -0.068 0.000 0.992 79 I CA -0.674 60.577 61.300 -0.081 0.000 1.297 79 I CB 1.778 39.602 38.000 -0.293 0.000 1.410 79 I HN 0.372 nan 8.210 nan 0.000 0.507 80 T N 2.056 116.612 114.554 0.003 0.000 3.390 80 T HA 0.486 4.836 4.350 -0.001 0.000 0.351 80 T C -2.487 172.238 174.700 0.042 0.000 1.759 80 T CA -1.507 60.590 62.100 -0.005 0.000 1.561 80 T CB -0.002 68.866 68.868 -0.001 0.000 1.011 80 T HN 0.534 nan 8.240 nan 0.000 0.689 81 P HA 0.323 nan 4.420 nan 0.000 0.286 81 P C -0.294 177.053 177.300 0.079 0.000 1.269 81 P CA -0.292 62.905 63.100 0.161 0.000 0.787 81 P CB 1.031 32.983 31.700 0.419 0.000 0.920 82 D N 1.982 122.448 120.400 0.109 0.000 2.384 82 D HA -0.002 4.637 4.640 -0.001 0.000 0.244 82 D C 0.957 177.308 176.300 0.084 0.000 1.251 82 D CA -0.375 53.666 54.000 0.069 0.000 0.961 82 D CB 0.937 41.778 40.800 0.070 0.000 1.116 82 D HN 0.270 nan 8.370 nan 0.000 0.484 83 K N -0.565 119.858 120.400 0.038 0.000 2.362 83 K HA -0.054 4.266 4.320 -0.001 0.000 0.200 83 K C 1.763 178.406 176.600 0.072 0.000 1.046 83 K CA 0.744 57.047 56.287 0.026 0.000 0.952 83 K CB -0.195 32.306 32.500 0.002 0.000 0.753 83 K HN 0.502 nan 8.250 nan 0.000 0.466 84 A N 0.636 123.517 122.820 0.101 0.000 1.873 84 A HA -0.155 4.165 4.320 -0.001 0.000 0.215 84 A C 1.873 179.561 177.584 0.174 0.000 1.186 84 A CA 1.054 53.160 52.037 0.115 0.000 0.616 84 A CB -0.620 18.444 19.000 0.108 0.000 0.823 84 A HN 0.451 nan 8.150 nan 0.000 0.442 85 F N 0.598 120.603 119.950 0.093 0.000 2.206 85 F HA -0.082 4.445 4.527 -0.001 0.000 0.298 85 F C 2.394 178.343 175.800 0.248 0.000 1.090 85 F CA 1.719 59.807 58.000 0.146 0.000 1.323 85 F CB -0.341 38.760 39.000 0.169 0.000 1.028 85 F HN 0.289 nan 8.300 nan 0.000 0.492 86 Q N -0.046 119.896 119.800 0.236 0.000 2.096 86 Q HA -0.246 4.093 4.340 -0.001 0.000 0.204 86 Q C 1.349 177.535 176.000 0.310 0.000 0.982 86 Q CA 1.957 57.980 55.803 0.367 0.000 0.850 86 Q CB -0.353 28.413 28.738 0.048 0.000 0.901 86 Q HN 0.394 nan 8.270 nan 0.000 0.422 87 D N -0.136 120.328 120.400 0.108 0.000 2.378 87 D HA -0.073 4.567 4.640 -0.001 0.000 0.227 87 D C 1.307 177.563 176.300 -0.073 0.000 1.012 87 D CA 0.519 54.544 54.000 0.042 0.000 0.905 87 D CB 0.151 40.969 40.800 0.031 0.000 0.895 87 D HN 0.077 nan 8.370 nan 0.000 0.532 88 K N -0.143 120.159 120.400 -0.163 0.000 2.148 88 K HA 0.021 4.341 4.320 -0.001 0.000 0.204 88 K C 0.799 177.198 176.600 -0.335 0.000 1.050 88 K CA 0.512 56.647 56.287 -0.254 0.000 0.942 88 K CB 0.212 32.498 32.500 -0.358 0.000 0.724 88 K HN 0.249 nan 8.250 nan 0.000 0.446 89 L N 0.335 121.337 121.223 -0.370 0.000 2.352 89 L HA 0.294 4.633 4.340 -0.001 0.000 0.269 89 L C -0.023 176.600 176.870 -0.412 0.000 1.034 89 L CA -1.313 53.243 54.840 -0.474 0.000 0.806 89 L CB 0.294 41.943 42.059 -0.683 0.000 1.244 89 L HN -0.104 nan 8.230 nan 0.000 0.447 90 Y N 1.302 121.427 120.300 -0.292 0.000 2.610 90 Y HA 0.017 4.566 4.550 -0.001 0.000 0.332 90 Y C -1.399 174.359 175.900 -0.237 0.000 1.201 90 Y CA -1.123 56.859 58.100 -0.197 0.000 1.465 90 Y CB -0.050 38.289 38.460 -0.201 0.000 1.283 90 Y HN 0.433 nan 8.280 nan 0.000 0.563 91 P HA -0.237 nan 4.420 nan 0.000 0.216 91 P C 1.406 178.832 177.300 0.211 0.000 1.150 91 P CA 1.701 64.942 63.100 0.235 0.000 0.843 91 P CB -0.145 31.711 31.700 0.260 0.000 0.787 92 F N -0.282 119.742 119.950 0.124 0.000 2.293 92 F HA -0.096 4.431 4.527 -0.001 0.000 0.300 92 F C 1.898 177.718 175.800 0.033 0.000 1.086 92 F CA 1.458 59.502 58.000 0.074 0.000 1.375 92 F CB -2.230 36.792 39.000 0.037 0.000 1.045 92 F HN -0.114 nan 8.300 nan 0.000 0.516 93 T N -3.413 110.673 114.554 -0.779 0.000 2.962 93 T HA -0.198 4.152 4.350 -0.001 0.000 0.270 93 T C 1.517 176.035 174.700 -0.302 0.000 1.088 93 T CA 1.039 62.759 62.100 -0.633 0.000 1.127 93 T CB -1.211 67.210 68.868 -0.745 0.000 0.883 93 T HN 0.630 nan 8.240 nan 0.000 0.493 94 W N 1.551 122.780 121.300 -0.118 0.000 2.519 94 W HA 0.097 4.757 4.660 -0.000 0.000 0.266 94 W C 1.699 178.212 176.519 -0.009 0.000 1.253 94 W CA -0.134 57.186 57.345 -0.042 0.000 1.274 94 W CB 0.162 29.613 29.460 -0.015 0.000 1.114 94 W HN 0.233 nan 8.180 nan 0.000 0.596 95 D N -0.332 120.191 120.400 0.205 0.000 2.323 95 D HA -0.018 4.621 4.640 -0.001 0.000 0.209 95 D C 2.065 178.351 176.300 -0.024 0.000 0.973 95 D CA 0.934 54.996 54.000 0.102 0.000 0.874 95 D CB -0.234 40.591 40.800 0.042 0.000 0.930 95 D HN 0.105 nan 8.370 nan 0.000 0.521 96 A N 0.518 123.303 122.820 -0.058 0.000 2.067 96 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 96 A C 1.730 179.322 177.584 0.013 0.000 1.156 96 A CA 0.683 52.587 52.037 -0.221 0.000 0.683 96 A CB 0.016 18.706 19.000 -0.516 0.000 0.808 96 A HN 0.178 nan 8.150 nan 0.000 0.455 97 V N -2.995 117.004 119.914 0.141 0.000 2.982 97 V HA 0.457 4.577 4.120 -0.001 0.000 0.368 97 V C 0.158 176.400 176.094 0.248 0.000 1.350 97 V CA -0.500 61.949 62.300 0.248 0.000 1.251 97 V CB -0.770 31.201 31.823 0.248 0.000 1.284 97 V HN 0.354 nan 8.190 nan 0.000 0.533 98 R N 0.624 121.277 120.500 0.254 0.000 2.393 98 R HA 0.585 4.925 4.340 -0.001 0.000 0.315 98 R C -2.060 174.423 176.300 0.304 0.000 0.952 98 R CA -0.681 55.562 56.100 0.238 0.000 0.842 98 R CB 1.895 32.325 30.300 0.216 0.000 1.163 98 R HN 0.485 nan 8.270 nan 0.000 0.450 99 Y N 3.970 124.350 120.300 0.133 0.000 2.425 99 Y HA 0.200 4.749 4.550 -0.001 0.000 0.344 99 Y C -0.040 175.909 175.900 0.082 0.000 0.969 99 Y CA -0.607 57.569 58.100 0.128 0.000 1.052 99 Y CB 1.535 40.064 38.460 0.115 0.000 1.215 99 Y HN 0.786 nan 8.280 nan 0.000 0.451 100 N N 3.465 122.014 118.700 -0.251 0.000 2.693 100 N HA -0.216 4.524 4.740 -0.001 0.000 0.249 100 N C 0.789 176.275 175.510 -0.040 0.000 1.119 100 N CA 1.721 54.702 53.050 -0.115 0.000 0.717 100 N CB -1.128 37.385 38.487 0.043 0.000 1.071 100 N HN 1.312 nan 8.380 nan 0.000 0.555 101 G N -1.447 107.333 108.800 -0.033 0.000 2.143 101 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.248 101 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.248 101 G C -0.033 174.867 174.900 -0.001 0.000 0.991 101 G CA 0.988 46.075 45.100 -0.023 0.000 0.689 101 G HN 0.491 nan 8.290 nan 0.000 0.522 102 K N -0.483 119.939 120.400 0.036 0.000 2.316 102 K HA 0.721 5.041 4.320 -0.001 0.000 0.251 102 K C 0.311 176.939 176.600 0.047 0.000 0.934 102 K CA -0.736 55.567 56.287 0.027 0.000 0.802 102 K CB 1.748 34.269 32.500 0.035 0.000 1.171 102 K HN 0.137 nan 8.250 nan 0.000 0.426 103 L N 4.438 125.653 121.223 -0.013 0.000 2.360 103 L HA 0.219 4.559 4.340 -0.001 0.000 0.276 103 L C 0.550 177.400 176.870 -0.034 0.000 1.121 103 L CA -0.017 54.812 54.840 -0.019 0.000 0.845 103 L CB 0.219 42.196 42.059 -0.137 0.000 1.143 103 L HN 0.697 nan 8.230 nan 0.000 0.452 104 I N -0.021 120.545 120.570 -0.007 0.000 4.338 104 I HA 0.620 4.789 4.170 -0.001 0.000 0.329 104 I C 0.362 176.383 176.117 -0.161 0.000 1.378 104 I CA -0.068 61.189 61.300 -0.072 0.000 1.170 104 I CB 0.405 38.381 38.000 -0.040 0.000 1.206 104 I HN 0.417 nan 8.210 nan 0.000 0.432 105 A N -0.198 122.560 122.820 -0.103 0.000 2.612 105 A HA 0.765 5.085 4.320 -0.001 0.000 0.293 105 A C -2.001 175.569 177.584 -0.023 0.000 1.075 105 A CA -0.447 51.543 52.037 -0.079 0.000 0.680 105 A CB 0.682 19.695 19.000 0.022 0.000 1.279 105 A HN 0.098 nan 8.150 nan 0.000 0.411 106 Y N 1.015 121.406 120.300 0.151 0.000 2.341 106 Y HA 0.454 5.004 4.550 -0.001 0.000 0.340 106 Y C -2.184 173.761 175.900 0.074 0.000 0.997 106 Y CA -2.078 56.126 58.100 0.174 0.000 1.149 106 Y CB 1.235 39.802 38.460 0.180 0.000 1.171 106 Y HN 0.376 nan 8.280 nan 0.000 0.494 107 P HA 0.092 nan 4.420 nan 0.000 0.276 107 P C -0.050 177.261 177.300 0.019 0.000 1.243 107 P CA 0.196 63.277 63.100 -0.031 0.000 0.768 107 P CB 1.071 32.596 31.700 -0.293 0.000 0.856 108 I N 1.719 122.348 120.570 0.098 0.000 3.578 108 I HA 0.286 4.455 4.170 -0.001 0.000 0.238 108 I C 1.045 177.220 176.117 0.096 0.000 1.080 108 I CA 0.286 61.670 61.300 0.139 0.000 1.538 108 I CB -1.305 36.858 38.000 0.271 0.000 1.477 108 I HN 0.229 nan 8.210 nan 0.000 0.464 109 A N 1.262 124.144 122.820 0.105 0.000 2.337 109 A HA 0.706 5.026 4.320 -0.001 0.000 0.331 109 A C -0.759 176.871 177.584 0.076 0.000 1.137 109 A CA -0.347 51.744 52.037 0.089 0.000 0.807 109 A CB 1.687 20.739 19.000 0.087 0.000 1.250 109 A HN 0.019 nan 8.150 nan 0.000 0.468 110 V N 1.112 121.078 119.914 0.087 0.000 2.495 110 V HA 0.574 4.693 4.120 -0.001 0.000 0.298 110 V C -0.183 175.983 176.094 0.119 0.000 1.031 110 V CA -0.463 61.907 62.300 0.117 0.000 0.871 110 V CB 1.397 33.313 31.823 0.155 0.000 0.988 110 V HN 0.986 nan 8.190 nan 0.000 0.432 111 E N 2.490 122.781 120.200 0.152 0.000 2.234 111 E HA 0.813 5.162 4.350 -0.001 0.000 0.266 111 E C -0.919 175.812 176.600 0.219 0.000 0.877 111 E CA -0.466 56.032 56.400 0.162 0.000 0.758 111 E CB 2.106 31.914 29.700 0.181 0.000 1.170 111 E HN 0.980 nan 8.360 nan 0.000 0.415 112 A N 3.675 126.599 122.820 0.174 0.000 2.606 112 A HA 0.529 4.848 4.320 -0.001 0.000 0.293 112 A C -1.398 176.230 177.584 0.073 0.000 1.082 112 A CA -0.762 51.374 52.037 0.165 0.000 0.685 112 A CB 0.813 19.874 19.000 0.103 0.000 1.284 112 A HN 0.604 nan 8.150 nan 0.000 0.408 113 L N 1.063 122.307 121.223 0.035 0.000 2.464 113 L HA 0.541 4.880 4.340 -0.001 0.000 0.264 113 L C 0.420 177.272 176.870 -0.030 0.000 1.199 113 L CA 0.164 54.970 54.840 -0.058 0.000 0.818 113 L CB 1.149 43.130 42.059 -0.129 0.000 1.102 113 L HN 0.743 nan 8.230 nan 0.000 0.473 114 S N 1.087 116.773 115.700 -0.025 0.000 2.607 114 S HA 0.491 4.961 4.470 -0.001 0.000 0.273 114 S C -1.115 173.479 174.600 -0.011 0.000 1.148 114 S CA -0.742 57.464 58.200 0.010 0.000 0.833 114 S CB 1.867 65.115 63.200 0.081 0.000 1.130 114 S HN 0.391 nan 8.310 nan 0.000 0.470 115 L N 2.352 123.566 121.223 -0.015 0.000 2.315 115 L HA 0.536 4.875 4.340 -0.001 0.000 0.283 115 L C -1.171 175.709 176.870 0.016 0.000 1.089 115 L CA 0.191 55.008 54.840 -0.038 0.000 0.833 115 L CB -0.382 41.636 42.059 -0.068 0.000 1.170 115 L HN 0.573 nan 8.230 nan 0.000 0.442 116 I N 6.500 127.028 120.570 -0.070 0.000 2.412 116 I HA 0.395 4.564 4.170 -0.001 0.000 0.296 116 I C -0.784 175.270 176.117 -0.104 0.000 0.987 116 I CA -0.736 60.477 61.300 -0.144 0.000 1.180 116 I CB 1.151 38.965 38.000 -0.309 0.000 1.340 116 I HN 0.654 nan 8.210 nan 0.000 0.455 117 Y N 3.640 123.944 120.300 0.005 0.000 2.609 117 Y HA 0.539 5.089 4.550 -0.001 0.000 0.342 117 Y C -0.874 175.271 175.900 0.408 0.000 1.058 117 Y CA -1.452 56.753 58.100 0.174 0.000 1.055 117 Y CB 0.923 39.411 38.460 0.047 0.000 1.292 117 Y HN 0.393 nan 8.280 nan 0.000 0.476 118 N N 1.997 121.003 118.700 0.510 0.000 2.439 118 N HA 0.148 4.887 4.740 -0.001 0.000 0.249 118 N C 0.108 175.757 175.510 0.232 0.000 1.003 118 N CA -0.525 52.656 53.050 0.217 0.000 0.942 118 N CB 1.195 39.687 38.487 0.009 0.000 1.115 118 N HN 0.911 nan 8.380 nan 0.000 0.505 119 K N 1.675 122.169 120.400 0.158 0.000 2.439 119 K HA -0.012 4.308 4.320 -0.001 0.000 0.197 119 K C 0.245 176.895 176.600 0.083 0.000 1.041 119 K CA 0.553 56.952 56.287 0.186 0.000 0.970 119 K CB 0.577 33.155 32.500 0.129 0.000 0.773 119 K HN 0.352 nan 8.250 nan 0.000 0.479 120 D N 1.721 122.145 120.400 0.040 0.000 2.110 120 D HA -0.020 4.619 4.640 -0.001 0.000 0.202 120 D C 2.007 178.316 176.300 0.016 0.000 0.975 120 D CA 1.015 55.021 54.000 0.011 0.000 0.839 120 D CB 0.025 40.815 40.800 -0.017 0.000 0.996 120 D HN 0.171 nan 8.370 nan 0.000 0.464 121 L N -0.242 120.993 121.223 0.021 0.000 2.217 121 L HA -0.018 4.321 4.340 -0.001 0.000 0.211 121 L C 0.554 177.443 176.870 0.032 0.000 1.107 121 L CA 0.387 55.239 54.840 0.020 0.000 0.783 121 L CB 0.274 42.345 42.059 0.019 0.000 0.919 121 L HN -0.015 nan 8.230 nan 0.000 0.442 122 L N 0.079 121.340 121.223 0.062 0.000 2.549 122 L HA 0.324 4.664 4.340 -0.001 0.000 0.260 122 L C -2.071 174.831 176.870 0.054 0.000 1.109 122 L CA -1.128 53.737 54.840 0.042 0.000 0.900 122 L CB 1.249 43.336 42.059 0.046 0.000 1.119 122 L HN -0.294 nan 8.230 nan 0.000 0.471 123 P HA -0.018 nan 4.420 nan 0.000 0.220 123 P C -0.450 176.812 177.300 -0.063 0.000 1.152 123 P CA 0.869 63.983 63.100 0.023 0.000 0.812 123 P CB 0.289 31.991 31.700 0.004 0.000 0.792 124 N N 1.602 120.229 118.700 -0.121 0.000 2.706 124 N HA 0.235 4.975 4.740 -0.001 0.000 0.240 124 N C -2.455 172.898 175.510 -0.263 0.000 1.039 124 N CA -1.252 51.690 53.050 -0.181 0.000 0.888 124 N CB 1.045 39.464 38.487 -0.114 0.000 1.128 124 N HN 0.219 nan 8.380 nan 0.000 0.512 125 P HA 0.187 nan 4.420 nan 0.000 0.271 125 P C -2.432 174.688 177.300 -0.300 0.000 1.216 125 P CA -0.811 61.999 63.100 -0.483 0.000 0.776 125 P CB -0.026 31.143 31.700 -0.886 0.000 0.881 126 P HA 0.066 nan 4.420 nan 0.000 0.265 126 P C 0.716 177.901 177.300 -0.192 0.000 1.193 126 P CA 0.023 63.010 63.100 -0.189 0.000 0.765 126 P CB 1.025 32.613 31.700 -0.187 0.000 0.823 127 K N 0.643 120.959 120.400 -0.140 0.000 2.167 127 K HA 0.024 4.344 4.320 -0.001 0.000 0.203 127 K C 1.132 177.674 176.600 -0.096 0.000 1.052 127 K CA 1.168 57.386 56.287 -0.115 0.000 0.956 127 K CB -0.002 32.449 32.500 -0.083 0.000 0.735 127 K HN 0.678 nan 8.250 nan 0.000 0.451 128 T N -4.093 110.414 114.554 -0.080 0.000 2.950 128 T HA 0.221 4.570 4.350 -0.001 0.000 0.288 128 T C 0.605 175.295 174.700 -0.017 0.000 1.035 128 T CA -0.866 61.226 62.100 -0.014 0.000 1.028 128 T CB 1.007 69.879 68.868 0.008 0.000 1.109 128 T HN 0.144 nan 8.240 nan 0.000 0.514 129 W N 0.446 121.745 121.300 -0.001 0.000 2.436 129 W HA 0.145 4.804 4.660 -0.001 0.000 0.284 129 W C 2.144 178.778 176.519 0.192 0.000 1.225 129 W CA 0.521 57.905 57.345 0.066 0.000 1.271 129 W CB -0.196 29.250 29.460 -0.023 0.000 1.114 129 W HN 0.808 nan 8.180 nan 0.000 0.559 130 E N 0.170 120.542 120.200 0.287 0.000 2.268 130 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 130 E C 1.731 178.485 176.600 0.257 0.000 0.995 130 E CA 1.483 58.081 56.400 0.331 0.000 0.836 130 E CB -0.354 29.421 29.700 0.126 0.000 0.763 130 E HN 0.510 nan 8.360 nan 0.000 0.491 131 E N 0.154 120.438 120.200 0.139 0.000 2.479 131 E HA 0.021 4.370 4.350 -0.001 0.000 0.193 131 E C 1.513 178.129 176.600 0.026 0.000 1.049 131 E CA 0.079 56.514 56.400 0.059 0.000 0.870 131 E CB -0.046 29.657 29.700 0.005 0.000 0.944 131 E HN 0.261 nan 8.360 nan 0.000 0.492 132 I N 1.436 122.044 120.570 0.064 0.000 2.546 132 I HA -0.084 4.085 4.170 -0.001 0.000 0.255 132 I C -0.663 175.382 176.117 -0.119 0.000 1.163 132 I CA 0.299 61.593 61.300 -0.010 0.000 1.457 132 I CB -0.956 37.056 38.000 0.021 0.000 1.092 132 I HN 0.096 nan 8.210 nan 0.000 0.434 133 P HA -0.197 nan 4.420 nan 0.000 0.213 133 P C 1.641 178.803 177.300 -0.229 0.000 1.170 133 P CA 1.938 64.811 63.100 -0.378 0.000 0.898 133 P CB -0.032 31.642 31.700 -0.043 0.000 0.787 134 A N -0.925 121.857 122.820 -0.063 0.000 1.978 134 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 134 A C 2.117 179.676 177.584 -0.041 0.000 1.170 134 A CA 1.550 53.573 52.037 -0.025 0.000 0.636 134 A CB -1.598 17.403 19.000 0.002 0.000 0.810 134 A HN 0.175 nan 8.150 nan 0.000 0.448 135 L N -0.416 120.769 121.223 -0.063 0.000 2.240 135 L HA 0.018 4.358 4.340 -0.001 0.000 0.211 135 L C 1.670 178.506 176.870 -0.056 0.000 1.106 135 L CA 2.295 57.102 54.840 -0.055 0.000 0.793 135 L CB -0.524 41.498 42.059 -0.060 0.000 0.927 135 L HN 0.414 nan 8.230 nan 0.000 0.446 136 D N -0.262 120.075 120.400 -0.106 0.000 2.091 136 D HA -0.201 4.438 4.640 -0.001 0.000 0.199 136 D C 2.080 178.383 176.300 0.005 0.000 0.980 136 D CA 1.538 55.495 54.000 -0.071 0.000 0.831 136 D CB 0.042 40.737 40.800 -0.174 0.000 0.987 136 D HN 0.444 nan 8.370 nan 0.000 0.460 137 K N 0.462 120.874 120.400 0.020 0.000 2.280 137 K HA -0.114 4.205 4.320 -0.001 0.000 0.202 137 K C 1.893 178.512 176.600 0.030 0.000 1.047 137 K CA 0.847 57.169 56.287 0.059 0.000 0.942 137 K CB -0.139 32.414 32.500 0.088 0.000 0.739 137 K HN 0.265 nan 8.250 nan 0.000 0.457 138 E N 1.302 121.509 120.200 0.012 0.000 2.028 138 E HA -0.094 4.255 4.350 -0.001 0.000 0.191 138 E C 2.051 178.657 176.600 0.009 0.000 0.988 138 E CA 0.984 57.388 56.400 0.006 0.000 0.799 138 E CB -0.048 29.649 29.700 -0.004 0.000 0.755 138 E HN 0.277 nan 8.360 nan 0.000 0.447 139 L N 0.776 122.004 121.223 0.009 0.000 2.217 139 L HA -0.126 4.213 4.340 -0.001 0.000 0.211 139 L C 2.313 179.195 176.870 0.020 0.000 1.107 139 L CA 0.663 55.511 54.840 0.013 0.000 0.783 139 L CB -0.139 41.929 42.059 0.016 0.000 0.919 139 L HN -0.067 nan 8.230 nan 0.000 0.442 140 K N 0.263 120.680 120.400 0.029 0.000 2.283 140 K HA -0.045 4.275 4.320 -0.001 0.000 0.202 140 K C 2.112 178.726 176.600 0.023 0.000 1.048 140 K CA 1.220 57.527 56.287 0.033 0.000 0.948 140 K CB -0.268 32.262 32.500 0.050 0.000 0.742 140 K HN 0.288 nan 8.250 nan 0.000 0.458 141 A N 1.371 124.203 122.820 0.020 0.000 1.968 141 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 141 A C 2.035 179.624 177.584 0.009 0.000 1.169 141 A CA 1.165 53.210 52.037 0.014 0.000 0.638 141 A CB -0.092 18.916 19.000 0.012 0.000 0.812 141 A HN 0.088 nan 8.150 nan 0.000 0.446 142 K N -1.544 118.861 120.400 0.009 0.000 2.305 142 K HA 0.084 4.404 4.320 -0.001 0.000 0.199 142 K C 0.828 177.431 176.600 0.005 0.000 1.047 142 K CA 0.791 57.081 56.287 0.005 0.000 0.976 142 K CB -0.003 32.499 32.500 0.003 0.000 0.765 142 K HN 0.745 nan 8.250 nan 0.000 0.474 143 G N 2.198 111.003 108.800 0.009 0.000 2.288 143 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.205 143 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.205 143 G C -0.341 174.564 174.900 0.009 0.000 1.071 143 G CA -0.212 44.893 45.100 0.008 0.000 0.788 143 G HN 0.075 nan 8.290 nan 0.000 0.491 144 K N -0.511 119.898 120.400 0.015 0.000 2.469 144 K HA 0.818 5.137 4.320 -0.001 0.000 0.268 144 K C 0.049 176.669 176.600 0.033 0.000 1.027 144 K CA -0.175 56.123 56.287 0.020 0.000 0.893 144 K CB 1.626 34.134 32.500 0.014 0.000 1.460 144 K HN 0.719 nan 8.250 nan 0.000 0.449 145 S N -1.242 114.485 115.700 0.044 0.000 2.664 145 S HA 0.672 5.142 4.470 -0.001 0.000 0.304 145 S C 0.748 175.384 174.600 0.060 0.000 1.099 145 S CA -0.288 57.946 58.200 0.057 0.000 1.003 145 S CB 1.844 65.084 63.200 0.068 0.000 1.092 145 S HN 0.638 nan 8.310 nan 0.000 0.525 146 A N 0.428 123.279 122.820 0.052 0.000 1.835 146 A HA 0.450 4.769 4.320 -0.001 0.000 0.213 146 A C 0.522 178.146 177.584 0.066 0.000 1.210 146 A CA 0.897 52.956 52.037 0.037 0.000 0.605 146 A CB -0.676 18.318 19.000 -0.009 0.000 0.860 146 A HN 0.964 nan 8.150 nan 0.000 0.447 147 L N -1.058 120.217 121.223 0.087 0.000 2.431 147 L HA 0.731 5.070 4.340 -0.001 0.000 0.266 147 L C -1.265 175.719 176.870 0.189 0.000 0.978 147 L CA -0.185 54.732 54.840 0.129 0.000 0.822 147 L CB 2.058 44.180 42.059 0.106 0.000 1.310 147 L HN 0.280 nan 8.230 nan 0.000 0.409 148 M N 6.079 125.804 119.600 0.208 0.000 2.206 148 M HA 0.416 4.895 4.480 -0.001 0.000 0.272 148 M C -1.572 174.864 176.300 0.226 0.000 1.012 148 M CA -0.232 55.179 55.300 0.185 0.000 0.986 148 M CB 1.681 34.333 32.600 0.087 0.000 1.740 148 M HN 0.630 nan 8.290 nan 0.000 0.472 149 F N 1.423 121.389 119.950 0.026 0.000 2.640 149 F HA 0.629 5.156 4.527 -0.001 0.000 0.324 149 F C 0.016 175.782 175.800 -0.057 0.000 1.077 149 F CA -1.366 56.627 58.000 -0.011 0.000 0.965 149 F CB 0.541 39.603 39.000 0.105 0.000 1.351 149 F HN 0.499 nan 8.300 nan 0.000 0.487 150 N N 1.837 120.417 118.700 -0.201 0.000 2.423 150 N HA 0.078 4.817 4.740 -0.001 0.000 0.275 150 N C 0.349 175.694 175.510 -0.276 0.000 1.283 150 N CA 0.210 53.051 53.050 -0.348 0.000 0.932 150 N CB 0.259 38.345 38.487 -0.669 0.000 1.185 150 N HN 0.796 nan 8.380 nan 0.000 0.483 151 L N 2.070 123.103 121.223 -0.317 0.000 2.509 151 L HA 0.038 4.377 4.340 -0.001 0.000 0.222 151 L C 1.692 178.522 176.870 -0.066 0.000 1.123 151 L CA 0.161 54.857 54.840 -0.239 0.000 0.856 151 L CB -0.062 41.823 42.059 -0.291 0.000 0.985 151 L HN 0.419 nan 8.230 nan 0.000 0.456 152 Q N 0.284 120.052 119.800 -0.054 0.000 2.230 152 Q HA 0.031 4.370 4.340 -0.001 0.000 0.202 152 Q C 0.242 176.270 176.000 0.047 0.000 0.963 152 Q CA 0.895 56.692 55.803 -0.011 0.000 0.866 152 Q CB 0.099 28.824 28.738 -0.021 0.000 0.931 152 Q HN 0.391 nan 8.270 nan 0.000 0.452 153 E N 0.430 120.702 120.200 0.120 0.000 2.158 153 E HA 0.213 4.563 4.350 -0.001 0.000 0.271 153 E C -1.941 174.860 176.600 0.334 0.000 0.911 153 E CA -2.340 54.190 56.400 0.217 0.000 0.767 153 E CB 1.483 31.378 29.700 0.325 0.000 1.120 153 E HN -0.126 nan 8.360 nan 0.000 0.405 154 P HA -0.143 nan 4.420 nan 0.000 0.218 154 P C 1.295 178.901 177.300 0.511 0.000 1.149 154 P CA 0.784 64.110 63.100 0.376 0.000 0.817 154 P CB 0.018 31.927 31.700 0.349 0.000 0.785 155 Y N -0.381 120.019 120.300 0.167 0.000 2.241 155 Y HA -0.239 4.310 4.550 -0.001 0.000 0.286 155 Y C 1.767 177.820 175.900 0.254 0.000 1.166 155 Y CA 1.561 59.748 58.100 0.146 0.000 1.203 155 Y CB -0.977 37.342 38.460 -0.236 0.000 0.977 155 Y HN -0.145 nan 8.280 nan 0.000 0.529 156 F N -0.850 119.278 119.950 0.297 0.000 2.220 156 F HA -0.068 4.459 4.527 -0.001 0.000 0.290 156 F C 2.652 178.689 175.800 0.395 0.000 1.080 156 F CA 1.652 59.836 58.000 0.308 0.000 1.318 156 F CB -0.950 38.325 39.000 0.459 0.000 1.063 156 F HN 0.038 nan 8.300 nan 0.000 0.498 157 T N -2.485 112.449 114.554 0.634 0.000 3.055 157 T HA -0.192 4.158 4.350 -0.001 0.000 0.265 157 T C 1.908 176.796 174.700 0.312 0.000 1.111 157 T CA 0.327 62.738 62.100 0.519 0.000 1.118 157 T CB -0.777 68.312 68.868 0.369 0.000 0.909 157 T HN 0.492 nan 8.240 nan 0.000 0.501 158 W N 2.837 124.251 121.300 0.190 0.000 2.335 158 W HA -0.069 4.590 4.660 -0.001 0.000 0.311 158 W C -1.573 174.927 176.519 -0.033 0.000 1.213 158 W CA 1.146 58.571 57.345 0.134 0.000 1.274 158 W CB -1.185 28.475 29.460 0.334 0.000 1.148 158 W HN 0.260 nan 8.180 nan 0.000 0.498 159 P HA -0.259 nan 4.420 nan 0.000 0.219 159 P C 1.984 179.085 177.300 -0.333 0.000 1.153 159 P CA 1.956 64.953 63.100 -0.172 0.000 0.865 159 P CB -0.552 31.113 31.700 -0.058 0.000 0.788 160 L N -1.867 119.100 121.223 -0.426 0.000 2.162 160 L HA -0.013 4.327 4.340 -0.001 0.000 0.205 160 L C 2.340 178.803 176.870 -0.679 0.000 1.086 160 L CA 0.876 55.286 54.840 -0.717 0.000 0.778 160 L CB -0.348 41.135 42.059 -0.961 0.000 0.928 160 L HN -0.112 nan 8.230 nan 0.000 0.446 161 I N -0.016 120.192 120.570 -0.603 0.000 2.179 161 I HA -0.250 3.920 4.170 -0.001 0.000 0.242 161 I C 2.618 178.283 176.117 -0.753 0.000 1.088 161 I CA 1.305 62.221 61.300 -0.640 0.000 1.357 161 I CB -0.440 37.174 38.000 -0.644 0.000 1.051 161 I HN 0.197 nan 8.210 nan 0.000 0.409 162 A N 0.594 122.787 122.820 -1.046 0.000 2.066 162 A HA 0.073 4.393 4.320 -0.001 0.000 0.218 162 A C 2.515 179.888 177.584 -0.352 0.000 1.157 162 A CA 1.170 52.749 52.037 -0.763 0.000 0.670 162 A CB -0.598 17.884 19.000 -0.863 0.000 0.804 162 A HN 0.404 nan 8.150 nan 0.000 0.453 163 A N 0.266 122.889 122.820 -0.328 0.000 1.917 163 A HA -0.273 4.046 4.320 -0.001 0.000 0.219 163 A C 1.849 179.414 177.584 -0.032 0.000 1.182 163 A CA 2.314 54.264 52.037 -0.144 0.000 0.633 163 A CB -0.562 18.360 19.000 -0.129 0.000 0.819 163 A HN 0.504 nan 8.150 nan 0.000 0.448 164 D N -3.097 117.303 120.400 -0.001 0.000 2.249 164 D HA 0.236 4.876 4.640 -0.001 0.000 0.205 164 D C 1.301 177.608 176.300 0.011 0.000 0.962 164 D CA 1.613 55.640 54.000 0.044 0.000 0.860 164 D CB 0.192 41.066 40.800 0.124 0.000 0.955 164 D HN 0.423 nan 8.370 nan 0.000 0.505 165 G N -1.377 107.419 108.800 -0.007 0.000 4.258 165 G HA2 0.085 4.044 3.960 -0.001 0.000 0.208 165 G HA3 0.085 4.044 3.960 -0.001 0.000 0.208 165 G C 0.711 175.684 174.900 0.121 0.000 0.777 165 G CA -0.016 45.122 45.100 0.063 0.000 0.836 165 G HN 0.416 nan 8.290 nan 0.000 0.499 166 G N 0.574 109.356 108.800 -0.030 0.000 2.484 166 G HA2 0.525 4.484 3.960 -0.001 0.000 0.235 166 G HA3 0.525 4.484 3.960 -0.001 0.000 0.235 166 G C -0.293 174.705 174.900 0.162 0.000 1.282 166 G CA 0.670 45.726 45.100 -0.074 0.000 0.857 166 G HN 1.123 nan 8.290 nan 0.000 0.571 167 Y N -1.691 118.782 120.300 0.290 0.000 2.571 167 Y HA 0.688 5.238 4.550 -0.001 0.000 0.341 167 Y C 0.742 176.809 175.900 0.279 0.000 1.076 167 Y CA -0.846 57.468 58.100 0.356 0.000 1.029 167 Y CB 0.938 39.519 38.460 0.201 0.000 1.308 167 Y HN 0.624 nan 8.280 nan 0.000 0.461 168 A N 1.626 124.543 122.820 0.162 0.000 1.832 168 A HA 0.247 4.566 4.320 -0.001 0.000 0.214 168 A C -0.197 176.960 177.584 -0.711 0.000 1.200 168 A CA 1.458 53.071 52.037 -0.707 0.000 0.610 168 A CB -0.485 17.807 19.000 -1.180 0.000 0.842 168 A HN 0.610 nan 8.150 nan 0.000 0.444 169 F N -2.927 117.131 119.950 0.179 0.000 2.650 169 F HA 0.563 5.089 4.527 -0.001 0.000 0.320 169 F C -0.175 175.894 175.800 0.449 0.000 1.091 169 F CA -1.100 57.095 58.000 0.326 0.000 0.962 169 F CB 1.550 40.657 39.000 0.178 0.000 1.363 169 F HN -0.181 nan 8.300 nan 0.000 0.482 170 K N 1.304 122.014 120.400 0.517 0.000 2.250 170 K HA 0.202 4.521 4.320 -0.001 0.000 0.285 170 K C -1.590 175.115 176.600 0.176 0.000 1.097 170 K CA -0.095 56.294 56.287 0.170 0.000 0.913 170 K CB -0.280 32.230 32.500 0.017 0.000 1.179 170 K HN 0.556 nan 8.250 nan 0.000 0.462 171 Y N 3.789 124.062 120.300 -0.047 0.000 2.504 171 Y HA 0.237 4.786 4.550 -0.001 0.000 0.351 171 Y C -0.587 175.186 175.900 -0.212 0.000 0.988 171 Y CA 0.150 58.042 58.100 -0.347 0.000 1.239 171 Y CB 0.469 38.548 38.460 -0.635 0.000 1.128 171 Y HN 0.564 nan 8.280 nan 0.000 0.525 172 E N 4.980 124.868 120.200 -0.520 0.000 2.308 172 E HA 0.174 4.524 4.350 -0.001 0.000 0.275 172 E C -0.802 175.530 176.600 -0.447 0.000 0.890 172 E CA -0.857 55.302 56.400 -0.401 0.000 0.754 172 E CB 1.458 31.040 29.700 -0.198 0.000 1.207 172 E HN 0.712 nan 8.360 nan 0.000 0.426 173 N N 1.427 119.906 118.700 -0.368 0.000 2.758 173 N HA -0.228 4.511 4.740 -0.001 0.000 0.248 173 N C 0.578 175.877 175.510 -0.352 0.000 1.076 173 N CA 1.112 53.994 53.050 -0.280 0.000 0.696 173 N CB -0.851 37.527 38.487 -0.182 0.000 0.979 173 N HN 1.044 nan 8.380 nan 0.000 0.550 174 G N -1.203 107.259 108.800 -0.565 0.000 2.184 174 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.264 174 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.264 174 G C -0.021 174.618 174.900 -0.435 0.000 0.975 174 G CA 1.317 46.169 45.100 -0.413 0.000 0.642 174 G HN 0.578 nan 8.290 nan 0.000 0.536 175 K N -1.112 118.886 120.400 -0.669 0.000 2.512 175 K HA 0.718 5.038 4.320 -0.001 0.000 0.263 175 K C -0.815 175.561 176.600 -0.373 0.000 0.966 175 K CA -1.028 55.047 56.287 -0.354 0.000 0.851 175 K CB 1.209 33.594 32.500 -0.192 0.000 1.395 175 K HN 0.076 nan 8.250 nan 0.000 0.440 176 Y N 0.461 120.760 120.300 -0.001 0.000 2.301 176 Y HA 0.235 4.785 4.550 -0.001 0.000 0.325 176 Y C 0.031 175.917 175.900 -0.023 0.000 1.203 176 Y CA -0.028 58.107 58.100 0.059 0.000 1.255 176 Y CB 1.055 39.546 38.460 0.051 0.000 1.232 176 Y HN 0.446 nan 8.280 nan 0.000 0.501 177 D N 3.020 123.554 120.400 0.223 0.000 2.412 177 D HA 0.169 4.808 4.640 -0.001 0.000 0.224 177 D C 0.692 177.110 176.300 0.197 0.000 1.093 177 D CA -0.130 53.964 54.000 0.157 0.000 0.850 177 D CB 1.104 41.996 40.800 0.153 0.000 1.046 177 D HN 0.519 nan 8.370 nan 0.000 0.507 178 I N 0.139 120.735 120.570 0.043 0.000 3.176 178 I HA -0.020 4.149 4.170 -0.001 0.000 0.275 178 I C 1.622 177.862 176.117 0.204 0.000 1.298 178 I CA 0.885 62.173 61.300 -0.020 0.000 1.445 178 I CB -0.104 37.811 38.000 -0.142 0.000 1.075 178 I HN -0.080 nan 8.210 nan 0.000 0.482 179 K N 0.482 120.998 120.400 0.193 0.000 2.358 179 K HA 0.176 4.495 4.320 -0.001 0.000 0.200 179 K C -0.170 176.556 176.600 0.210 0.000 1.030 179 K CA 0.217 56.612 56.287 0.181 0.000 1.097 179 K CB 0.151 32.720 32.500 0.115 0.000 0.862 179 K HN 0.262 nan 8.250 nan 0.000 0.534 180 D N 1.319 121.887 120.400 0.281 0.000 2.454 180 D HA 0.166 4.805 4.640 -0.001 0.000 0.225 180 D C -0.902 175.640 176.300 0.403 0.000 1.081 180 D CA -0.287 53.900 54.000 0.312 0.000 0.864 180 D CB 0.843 41.816 40.800 0.288 0.000 1.040 180 D HN -0.271 nan 8.370 nan 0.000 0.517 181 V N 1.803 121.857 119.914 0.233 0.000 2.667 181 V HA 0.729 4.849 4.120 -0.001 0.000 0.308 181 V C 1.090 177.046 176.094 -0.230 0.000 1.048 181 V CA -0.917 61.392 62.300 0.015 0.000 0.928 181 V CB 2.052 33.850 31.823 -0.042 0.000 1.004 181 V HN 0.591 nan 8.190 nan 0.000 0.444 182 G N 1.789 110.166 108.800 -0.705 0.000 5.001 182 G HA2 0.421 4.381 3.960 -0.001 0.000 0.304 182 G HA3 0.421 4.381 3.960 -0.001 0.000 0.304 182 G C 0.155 174.835 174.900 -0.366 0.000 1.400 182 G CA 0.015 44.461 45.100 -1.089 0.000 1.029 182 G HN 0.492 nan 8.290 nan 0.000 0.584 183 V N 0.273 120.118 119.914 -0.114 0.000 3.085 183 V HA 0.059 4.179 4.120 -0.001 0.000 0.245 183 V C 1.599 177.703 176.094 0.016 0.000 1.114 183 V CA 1.546 63.889 62.300 0.071 0.000 1.108 183 V CB 0.608 32.490 31.823 0.098 0.000 0.798 183 V HN 0.623 nan 8.190 nan 0.000 0.471 184 D N -0.176 120.210 120.400 -0.024 0.000 2.440 184 D HA 0.046 4.686 4.640 -0.001 0.000 0.216 184 D C 0.365 176.654 176.300 -0.018 0.000 1.150 184 D CA -0.273 53.719 54.000 -0.013 0.000 0.832 184 D CB -0.461 40.338 40.800 -0.001 0.000 0.992 184 D HN 0.541 nan 8.370 nan 0.000 0.502 185 N N 0.766 119.442 118.700 -0.041 0.000 2.317 185 N HA 0.186 4.926 4.740 -0.001 0.000 0.245 185 N C 1.201 176.707 175.510 -0.007 0.000 1.294 185 N CA 0.030 53.069 53.050 -0.019 0.000 0.924 185 N CB 0.481 38.955 38.487 -0.021 0.000 1.186 185 N HN -0.073 nan 8.380 nan 0.000 0.495 186 A N -0.760 122.066 122.820 0.011 0.000 2.121 186 A HA 0.067 4.387 4.320 -0.001 0.000 0.218 186 A C 1.904 179.498 177.584 0.016 0.000 1.154 186 A CA 1.450 53.496 52.037 0.015 0.000 0.679 186 A CB -1.364 17.648 19.000 0.020 0.000 0.795 186 A HN 0.813 nan 8.150 nan 0.000 0.458 187 G N -0.636 108.169 108.800 0.009 0.000 2.408 187 G HA2 0.140 4.100 3.960 -0.001 0.000 0.213 187 G HA3 0.140 4.100 3.960 -0.001 0.000 0.213 187 G C 1.724 176.602 174.900 -0.038 0.000 1.177 187 G CA 0.960 46.063 45.100 0.004 0.000 0.802 187 G HN 0.678 nan 8.290 nan 0.000 0.533 188 A N 0.672 123.444 122.820 -0.080 0.000 1.933 188 A HA 0.026 4.345 4.320 -0.001 0.000 0.218 188 A C 2.187 179.721 177.584 -0.083 0.000 1.175 188 A CA 2.236 54.191 52.037 -0.136 0.000 0.628 188 A CB -0.358 18.575 19.000 -0.113 0.000 0.814 188 A HN 0.350 nan 8.150 nan 0.000 0.444 189 K N -0.066 120.315 120.400 -0.033 0.000 1.978 189 K HA -0.074 4.245 4.320 -0.001 0.000 0.214 189 K C 2.159 178.768 176.600 0.015 0.000 1.049 189 K CA 1.683 57.967 56.287 -0.006 0.000 0.939 189 K CB -0.489 32.017 32.500 0.009 0.000 0.721 189 K HN 0.348 nan 8.250 nan 0.000 0.441 190 A N 0.146 122.998 122.820 0.053 0.000 1.933 190 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 190 A C 2.349 180.019 177.584 0.143 0.000 1.175 190 A CA 2.001 54.121 52.037 0.139 0.000 0.628 190 A CB -1.406 17.701 19.000 0.178 0.000 0.814 190 A HN 0.524 nan 8.150 nan 0.000 0.444 191 G N 0.012 108.803 108.800 -0.016 0.000 2.514 191 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.217 191 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.217 191 G C 1.495 176.210 174.900 -0.308 0.000 1.198 191 G CA 1.338 46.202 45.100 -0.393 0.000 0.780 191 G HN 0.548 nan 8.290 nan 0.000 0.565 192 L N 0.831 121.958 121.223 -0.161 0.000 2.201 192 L HA 0.059 4.399 4.340 -0.001 0.000 0.212 192 L C 2.933 179.781 176.870 -0.036 0.000 1.105 192 L CA 2.241 57.023 54.840 -0.096 0.000 0.775 192 L CB -0.628 41.397 42.059 -0.057 0.000 0.913 192 L HN 0.214 nan 8.230 nan 0.000 0.440 193 T N -0.695 113.864 114.554 0.010 0.000 2.684 193 T HA -0.238 4.111 4.350 -0.001 0.000 0.267 193 T C 1.612 176.357 174.700 0.074 0.000 1.036 193 T CA 1.973 64.104 62.100 0.051 0.000 1.148 193 T CB -0.578 68.346 68.868 0.094 0.000 0.863 193 T HN 0.365 nan 8.240 nan 0.000 0.436 194 F N 1.410 121.332 119.950 -0.048 0.000 2.102 194 F HA -0.046 4.481 4.527 -0.001 0.000 0.298 194 F C 2.056 177.824 175.800 -0.053 0.000 1.105 194 F CA 0.824 58.808 58.000 -0.028 0.000 1.239 194 F CB -0.517 38.416 39.000 -0.112 0.000 0.991 194 F HN 0.015 nan 8.300 nan 0.000 0.474 195 L N -0.269 120.947 121.223 -0.012 0.000 2.012 195 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 195 L C 2.200 179.032 176.870 -0.063 0.000 1.073 195 L CA 1.632 56.448 54.840 -0.039 0.000 0.748 195 L CB -0.779 41.258 42.059 -0.037 0.000 0.891 195 L HN 0.053 nan 8.230 nan 0.000 0.431 196 V N -0.477 119.402 119.914 -0.057 0.000 2.427 196 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 196 V C 2.122 178.172 176.094 -0.074 0.000 1.051 196 V CA 1.751 64.019 62.300 -0.053 0.000 1.048 196 V CB -0.723 31.079 31.823 -0.034 0.000 0.666 196 V HN 0.448 nan 8.190 nan 0.000 0.456 197 D N 0.149 120.489 120.400 -0.101 0.000 2.178 197 D HA -0.115 4.525 4.640 -0.001 0.000 0.201 197 D C 2.066 178.281 176.300 -0.141 0.000 0.980 197 D CA 1.095 55.024 54.000 -0.118 0.000 0.842 197 D CB -0.203 40.522 40.800 -0.126 0.000 0.948 197 D HN 0.337 nan 8.370 nan 0.000 0.472 198 L N 0.056 121.177 121.223 -0.171 0.000 2.141 198 L HA -0.068 4.272 4.340 -0.001 0.000 0.209 198 L C 2.272 179.122 176.870 -0.034 0.000 1.094 198 L CA 0.532 55.344 54.840 -0.047 0.000 0.763 198 L CB -0.142 41.904 42.059 -0.022 0.000 0.908 198 L HN 0.038 nan 8.230 nan 0.000 0.437 199 I N 0.197 120.733 120.570 -0.056 0.000 2.286 199 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 199 I C 2.443 178.514 176.117 -0.076 0.000 1.104 199 I CA 1.287 62.554 61.300 -0.054 0.000 1.397 199 I CB -0.119 37.850 38.000 -0.051 0.000 1.072 199 I HN 0.273 nan 8.210 nan 0.000 0.417 200 K N 0.136 120.486 120.400 -0.084 0.000 2.426 200 K HA 0.030 4.349 4.320 -0.001 0.000 0.193 200 K C 1.253 177.779 176.600 -0.123 0.000 1.028 200 K CA 0.805 57.041 56.287 -0.086 0.000 1.047 200 K CB -0.302 32.161 32.500 -0.063 0.000 0.821 200 K HN 0.288 nan 8.250 nan 0.000 0.513 201 N N 1.230 119.819 118.700 -0.186 0.000 2.461 201 N HA 0.020 4.759 4.740 -0.001 0.000 0.188 201 N C -0.575 174.677 175.510 -0.430 0.000 1.134 201 N CA -0.010 52.847 53.050 -0.322 0.000 0.878 201 N CB 0.212 38.440 38.487 -0.432 0.000 0.972 201 N HN 0.127 nan 8.380 nan 0.000 0.456 202 K N -0.738 119.504 120.400 -0.265 0.000 3.251 202 K HA -0.212 4.107 4.320 -0.001 0.000 0.282 202 K C -0.340 176.184 176.600 -0.126 0.000 1.201 202 K CA 0.673 56.861 56.287 -0.165 0.000 0.827 202 K CB -2.249 30.178 32.500 -0.123 0.000 1.286 202 K HN 0.603 nan 8.250 nan 0.000 0.503 203 H N -0.910 118.153 119.070 -0.012 0.000 2.465 203 H HA 0.248 4.803 4.556 -0.001 0.000 0.289 203 H C 1.184 176.523 175.328 0.019 0.000 1.022 203 H CA 0.657 56.710 56.048 0.007 0.000 1.340 203 H CB 0.318 30.086 29.762 0.010 0.000 1.437 203 H HN 0.134 nan 8.280 nan 0.000 0.539 204 M N -0.429 119.237 119.600 0.109 0.000 2.719 204 M HA 0.198 4.678 4.480 -0.001 0.000 0.291 204 M C -0.917 175.382 176.300 -0.002 0.000 1.264 204 M CA -0.724 54.608 55.300 0.053 0.000 0.811 204 M CB 2.733 35.361 32.600 0.046 0.000 1.756 204 M HN 0.049 nan 8.290 nan 0.000 0.464 205 N N -0.227 118.456 118.700 -0.028 0.000 2.342 205 N HA 0.483 5.222 4.740 -0.001 0.000 0.293 205 N C -0.023 175.447 175.510 -0.067 0.000 1.026 205 N CA -0.023 53.002 53.050 -0.041 0.000 0.857 205 N CB 2.108 40.576 38.487 -0.032 0.000 1.256 205 N HN 0.785 nan 8.380 nan 0.000 0.484 206 A N 2.469 125.254 122.820 -0.059 0.000 2.172 206 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 206 A C 0.737 178.283 177.584 -0.062 0.000 1.154 206 A CA 1.018 53.016 52.037 -0.065 0.000 0.701 206 A CB 0.018 18.988 19.000 -0.050 0.000 0.789 206 A HN 0.746 nan 8.150 nan 0.000 0.465 207 D N -0.356 120.011 120.400 -0.054 0.000 2.368 207 D HA 0.076 4.715 4.640 -0.001 0.000 0.218 207 D C -0.238 176.032 176.300 -0.050 0.000 1.112 207 D CA 0.342 54.316 54.000 -0.044 0.000 0.834 207 D CB 0.199 40.980 40.800 -0.031 0.000 0.953 207 D HN 0.137 nan 8.370 nan 0.000 0.505 208 T N 2.439 116.949 114.554 -0.073 0.000 2.794 208 T HA 0.175 4.524 4.350 -0.001 0.000 0.296 208 T C 0.295 174.936 174.700 -0.098 0.000 0.949 208 T CA -0.505 61.545 62.100 -0.083 0.000 1.101 208 T CB 1.343 70.148 68.868 -0.104 0.000 0.905 208 T HN 0.171 nan 8.240 nan 0.000 0.516 209 D N 1.748 122.108 120.400 -0.067 0.000 2.589 209 D HA 0.116 4.755 4.640 -0.001 0.000 0.268 209 D C 1.141 177.407 176.300 -0.056 0.000 1.182 209 D CA -0.815 53.153 54.000 -0.055 0.000 1.087 209 D CB 0.080 40.877 40.800 -0.005 0.000 1.186 209 D HN 0.378 nan 8.370 nan 0.000 0.620 210 Y N 0.404 120.622 120.300 -0.137 0.000 2.163 210 Y HA -0.168 4.382 4.550 -0.001 0.000 0.288 210 Y C 2.550 178.432 175.900 -0.031 0.000 1.136 210 Y CA 2.435 60.463 58.100 -0.121 0.000 1.147 210 Y CB -0.148 38.262 38.460 -0.083 0.000 0.987 210 Y HN 0.289 nan 8.280 nan 0.000 0.509 211 S N 0.659 116.465 115.700 0.177 0.000 2.348 211 S HA -0.225 4.245 4.470 -0.001 0.000 0.221 211 S C 2.018 176.633 174.600 0.025 0.000 1.033 211 S CA 1.774 60.045 58.200 0.120 0.000 1.010 211 S CB -0.657 62.606 63.200 0.105 0.000 0.891 211 S HN 0.465 nan 8.310 nan 0.000 0.442 212 I N 1.994 122.566 120.570 0.004 0.000 2.118 212 I HA -0.289 3.880 4.170 -0.001 0.000 0.241 212 I C 2.795 178.895 176.117 -0.028 0.000 1.070 212 I CA 1.337 62.630 61.300 -0.012 0.000 1.327 212 I CB -0.590 37.398 38.000 -0.020 0.000 1.034 212 I HN 0.298 nan 8.210 nan 0.000 0.405 213 A N 0.029 122.803 122.820 -0.076 0.000 1.858 213 A HA -0.274 4.046 4.320 -0.001 0.000 0.216 213 A C 2.317 179.855 177.584 -0.076 0.000 1.190 213 A CA 2.020 54.005 52.037 -0.087 0.000 0.617 213 A CB -0.717 18.188 19.000 -0.157 0.000 0.827 213 A HN 0.490 nan 8.150 nan 0.000 0.443 214 E N -0.341 119.754 120.200 -0.176 0.000 2.031 214 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 214 E C 2.189 178.804 176.600 0.026 0.000 0.994 214 E CA 1.054 57.388 56.400 -0.111 0.000 0.800 214 E CB -0.269 29.324 29.700 -0.177 0.000 0.752 214 E HN 0.517 nan 8.360 nan 0.000 0.447 215 A N 0.811 123.642 122.820 0.018 0.000 2.024 215 A HA -0.112 4.207 4.320 -0.001 0.000 0.220 215 A C 2.241 179.844 177.584 0.031 0.000 1.164 215 A CA 1.756 53.811 52.037 0.030 0.000 0.643 215 A CB -0.529 18.487 19.000 0.027 0.000 0.806 215 A HN 0.400 nan 8.150 nan 0.000 0.451 216 A N -1.975 120.871 122.820 0.044 0.000 2.021 216 A HA 0.184 4.504 4.320 -0.001 0.000 0.216 216 A C 1.885 179.522 177.584 0.087 0.000 1.163 216 A CA 1.171 53.238 52.037 0.051 0.000 0.676 216 A CB -0.466 18.564 19.000 0.050 0.000 0.818 216 A HN 0.613 nan 8.150 nan 0.000 0.453 217 F N 0.891 120.822 119.950 -0.032 0.000 2.317 217 F HA 0.063 4.589 4.527 -0.001 0.000 0.293 217 F C 1.761 177.537 175.800 -0.040 0.000 1.085 217 F CA 1.251 59.233 58.000 -0.030 0.000 1.390 217 F CB -0.210 38.767 39.000 -0.038 0.000 1.077 217 F HN 0.243 nan 8.300 nan 0.000 0.517 218 N N 0.065 118.780 118.700 0.025 0.000 2.512 218 N HA -0.094 4.645 4.740 -0.001 0.000 0.183 218 N C 0.882 176.328 175.510 -0.107 0.000 1.073 218 N CA 0.476 53.489 53.050 -0.061 0.000 0.911 218 N CB -0.019 38.477 38.487 0.015 0.000 0.964 218 N HN 0.322 nan 8.380 nan 0.000 0.447 219 K N -0.106 120.237 120.400 -0.095 0.000 2.387 219 K HA 0.128 4.448 4.320 -0.001 0.000 0.203 219 K C 0.602 177.135 176.600 -0.112 0.000 1.030 219 K CA -0.052 56.185 56.287 -0.083 0.000 1.099 219 K CB 1.096 33.572 32.500 -0.040 0.000 0.863 219 K HN 0.095 nan 8.250 nan 0.000 0.529 220 G N 2.211 110.895 108.800 -0.194 0.000 2.179 220 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.257 220 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.257 220 G C 0.497 175.334 174.900 -0.105 0.000 1.010 220 G CA 0.591 45.569 45.100 -0.202 0.000 0.736 220 G HN 0.460 nan 8.290 nan 0.000 0.513 221 E N -1.029 119.134 120.200 -0.062 0.000 2.170 221 E HA 0.061 4.410 4.350 -0.001 0.000 0.191 221 E C 1.270 177.881 176.600 0.019 0.000 0.981 221 E CA 1.062 57.453 56.400 -0.014 0.000 0.830 221 E CB 0.284 29.985 29.700 0.001 0.000 0.775 221 E HN 0.384 nan 8.360 nan 0.000 0.470 222 T N -1.357 113.228 114.554 0.053 0.000 2.885 222 T HA 0.470 4.819 4.350 -0.001 0.000 0.285 222 T C 0.468 175.275 174.700 0.178 0.000 1.019 222 T CA -0.153 62.020 62.100 0.122 0.000 1.010 222 T CB 1.744 70.713 68.868 0.170 0.000 1.022 222 T HN 0.005 nan 8.240 nan 0.000 0.466 223 A N 4.301 127.225 122.820 0.172 0.000 2.016 223 A HA 0.412 4.731 4.320 -0.001 0.000 0.217 223 A C 0.831 178.638 177.584 0.372 0.000 1.162 223 A CA 0.713 52.875 52.037 0.207 0.000 0.662 223 A CB -0.169 18.901 19.000 0.117 0.000 0.812 223 A HN 0.751 nan 8.150 nan 0.000 0.450 224 M N -1.944 117.830 119.600 0.290 0.000 2.593 224 M HA 0.505 4.985 4.480 -0.001 0.000 0.290 224 M C -0.754 175.547 176.300 0.001 0.000 1.244 224 M CA -0.292 55.094 55.300 0.145 0.000 0.857 224 M CB 2.609 35.231 32.600 0.037 0.000 1.738 224 M HN 0.048 nan 8.290 nan 0.000 0.461 225 T N 1.101 115.509 114.554 -0.244 0.000 2.889 225 T HA 0.684 5.033 4.350 -0.001 0.000 0.315 225 T C -1.911 172.690 174.700 -0.166 0.000 1.291 225 T CA -0.577 61.411 62.100 -0.186 0.000 1.028 225 T CB 1.237 69.911 68.868 -0.324 0.000 1.235 225 T HN 0.557 nan 8.240 nan 0.000 0.491 226 I N 4.505 125.059 120.570 -0.026 0.000 2.321 226 I HA 0.540 4.709 4.170 -0.001 0.000 0.291 226 I C 0.194 176.413 176.117 0.170 0.000 0.998 226 I CA -0.606 60.691 61.300 -0.006 0.000 1.227 226 I CB 1.091 39.020 38.000 -0.118 0.000 1.368 226 I HN 0.467 nan 8.210 nan 0.000 0.466 227 N N 3.289 122.029 118.700 0.067 0.000 2.823 227 N HA 0.472 5.211 4.740 -0.001 0.000 0.251 227 N C -0.772 174.590 175.510 -0.247 0.000 1.392 227 N CA -0.370 52.726 53.050 0.077 0.000 0.864 227 N CB 2.534 41.036 38.487 0.025 0.000 1.481 227 N HN 0.628 nan 8.380 nan 0.000 0.508 228 G N 0.316 108.597 108.800 -0.865 0.000 2.535 228 G HA2 0.405 4.364 3.960 -0.001 0.000 0.303 228 G HA3 0.405 4.364 3.960 -0.001 0.000 0.303 228 G C -1.829 172.206 174.900 -1.440 0.000 1.237 228 G CA -1.070 43.200 45.100 -1.383 0.000 0.986 228 G HN 0.347 nan 8.290 nan 0.000 0.494 229 P HA -0.105 nan 4.420 nan 0.000 0.221 229 P C 1.265 177.950 177.300 -1.026 0.000 1.145 229 P CA 1.363 63.432 63.100 -1.718 0.000 0.795 229 P CB 0.008 31.008 31.700 -1.167 0.000 0.775 230 W N -0.379 120.713 121.300 -0.346 0.000 2.425 230 W HA 0.062 4.722 4.660 -0.001 0.000 0.277 230 W C 1.954 178.468 176.519 -0.009 0.000 1.231 230 W CA 0.873 58.135 57.345 -0.139 0.000 1.248 230 W CB -1.801 27.623 29.460 -0.059 0.000 1.117 230 W HN -0.152 nan 8.180 nan 0.000 0.568 231 A N 0.367 123.049 122.820 -0.230 0.000 2.014 231 A HA -0.043 4.277 4.320 -0.001 0.000 0.218 231 A C 1.631 179.323 177.584 0.179 0.000 1.163 231 A CA 1.148 53.231 52.037 0.075 0.000 0.652 231 A CB -1.265 17.732 19.000 -0.005 0.000 0.808 231 A HN 0.394 nan 8.150 nan 0.000 0.449 232 W N 1.402 122.654 121.300 -0.079 0.000 2.321 232 W HA -0.257 4.402 4.660 -0.001 0.000 0.306 232 W C 2.897 179.389 176.519 -0.045 0.000 1.217 232 W CA 1.456 58.759 57.345 -0.069 0.000 1.257 232 W CB -1.541 27.939 29.460 0.035 0.000 1.145 232 W HN 0.559 nan 8.180 nan 0.000 0.509 233 S N 0.076 115.923 115.700 0.245 0.000 2.374 233 S HA -0.276 4.194 4.470 -0.001 0.000 0.227 233 S C 1.567 176.227 174.600 0.101 0.000 1.037 233 S CA 1.740 60.035 58.200 0.158 0.000 1.024 233 S CB -1.227 62.056 63.200 0.137 0.000 0.861 233 S HN 0.483 nan 8.310 nan 0.000 0.456 234 N N 1.051 119.810 118.700 0.098 0.000 2.331 234 N HA 0.189 4.929 4.740 -0.001 0.000 0.180 234 N C 1.582 177.095 175.510 0.005 0.000 1.019 234 N CA 1.240 54.331 53.050 0.068 0.000 0.881 234 N CB -0.246 38.304 38.487 0.105 0.000 0.972 234 N HN 0.478 nan 8.380 nan 0.000 0.435 235 I N 0.384 120.910 120.570 -0.074 0.000 2.876 235 I HA -0.099 4.070 4.170 -0.001 0.000 0.264 235 I C 1.095 177.093 176.117 -0.198 0.000 1.204 235 I CA 0.685 61.844 61.300 -0.236 0.000 1.485 235 I CB -0.085 37.554 38.000 -0.601 0.000 1.103 235 I HN 0.072 nan 8.210 nan 0.000 0.446 236 D N 0.818 121.175 120.400 -0.073 0.000 2.224 236 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 236 D C 2.106 178.425 176.300 0.032 0.000 0.965 236 D CA 1.325 55.352 54.000 0.045 0.000 0.852 236 D CB 0.002 40.863 40.800 0.101 0.000 0.947 236 D HN 0.290 nan 8.370 nan 0.000 0.494 237 T N 0.558 115.123 114.554 0.019 0.000 2.770 237 T HA -0.112 4.237 4.350 -0.001 0.000 0.263 237 T C 2.120 176.822 174.700 0.004 0.000 1.039 237 T CA 1.467 63.579 62.100 0.019 0.000 1.142 237 T CB -0.200 68.685 68.868 0.028 0.000 0.868 237 T HN 0.179 nan 8.240 nan 0.000 0.435 238 S N 0.814 116.506 115.700 -0.013 0.000 2.547 238 S HA 0.015 4.484 4.470 -0.001 0.000 0.235 238 S C 1.003 175.584 174.600 -0.032 0.000 0.980 238 S CA 0.693 58.876 58.200 -0.028 0.000 0.941 238 S CB -0.408 62.764 63.200 -0.047 0.000 0.763 238 S HN 0.348 nan 8.310 nan 0.000 0.532 239 K N -0.322 120.069 120.400 -0.015 0.000 3.209 239 K HA -0.105 4.215 4.320 -0.001 0.000 0.289 239 K C -0.577 176.015 176.600 -0.013 0.000 1.191 239 K CA 0.774 57.059 56.287 -0.003 0.000 0.851 239 K CB -2.406 30.090 32.500 -0.007 0.000 1.242 239 K HN 0.426 nan 8.250 nan 0.000 0.480 240 V N 1.519 121.413 119.914 -0.033 0.000 2.555 240 V HA 0.075 4.195 4.120 -0.001 0.000 0.286 240 V C 0.765 176.890 176.094 0.053 0.000 1.044 240 V CA -0.570 61.693 62.300 -0.063 0.000 1.026 240 V CB 1.285 32.986 31.823 -0.203 0.000 0.981 240 V HN 0.278 nan 8.190 nan 0.000 0.480 241 N N 5.009 123.714 118.700 0.008 0.000 2.402 241 N HA 0.143 4.882 4.740 -0.001 0.000 0.259 241 N C -0.888 174.635 175.510 0.022 0.000 1.167 241 N CA -0.103 52.955 53.050 0.012 0.000 0.949 241 N CB -0.173 38.296 38.487 -0.031 0.000 1.212 241 N HN 0.623 nan 8.380 nan 0.000 0.493 242 Y N 0.623 120.835 120.300 -0.146 0.000 2.499 242 Y HA 0.845 5.395 4.550 -0.001 0.000 0.347 242 Y C 0.007 175.690 175.900 -0.363 0.000 0.987 242 Y CA -1.582 56.415 58.100 -0.172 0.000 1.044 242 Y CB 1.001 39.460 38.460 -0.002 0.000 1.245 242 Y HN 0.287 nan 8.280 nan 0.000 0.461 243 G N 1.728 110.070 108.800 -0.763 0.000 2.542 243 G HA2 0.581 4.541 3.960 -0.001 0.000 0.311 243 G HA3 0.581 4.541 3.960 -0.001 0.000 0.311 243 G C -1.996 172.412 174.900 -0.821 0.000 1.298 243 G CA -1.070 43.414 45.100 -1.028 0.000 0.973 243 G HN 0.678 nan 8.290 nan 0.000 0.487 244 V N 0.813 120.444 119.914 -0.472 0.000 2.435 244 V HA 0.803 4.923 4.120 -0.001 0.000 0.290 244 V C 0.425 176.517 176.094 -0.005 0.000 1.030 244 V CA -0.290 61.895 62.300 -0.190 0.000 0.881 244 V CB 1.461 33.149 31.823 -0.225 0.000 0.983 244 V HN 0.922 nan 8.190 nan 0.000 0.445 245 T N 2.629 117.247 114.554 0.108 0.000 2.754 245 T HA 0.444 4.794 4.350 -0.001 0.000 0.296 245 T C -0.917 173.805 174.700 0.037 0.000 1.205 245 T CA -0.307 61.850 62.100 0.096 0.000 1.009 245 T CB 1.881 70.838 68.868 0.150 0.000 1.368 245 T HN 0.529 nan 8.240 nan 0.000 0.509 246 V N 3.050 122.966 119.914 0.003 0.000 2.763 246 V HA 0.335 4.455 4.120 -0.001 0.000 0.306 246 V C 0.320 176.391 176.094 -0.039 0.000 1.059 246 V CA 0.070 62.359 62.300 -0.019 0.000 1.138 246 V CB -0.006 31.799 31.823 -0.029 0.000 0.940 246 V HN 0.747 nan 8.190 nan 0.000 0.489 247 L N 8.092 129.297 121.223 -0.030 0.000 2.483 247 L HA 0.269 4.609 4.340 -0.001 0.000 0.275 247 L C -1.916 174.925 176.870 -0.048 0.000 1.220 247 L CA -1.198 53.620 54.840 -0.036 0.000 0.833 247 L CB 0.281 42.359 42.059 0.033 0.000 1.102 247 L HN 0.579 nan 8.230 nan 0.000 0.490 248 P HA 0.078 nan 4.420 nan 0.000 0.272 248 P C -0.749 176.647 177.300 0.160 0.000 1.223 248 P CA -0.442 62.539 63.100 -0.197 0.000 0.784 248 P CB 0.531 31.757 31.700 -0.790 0.000 0.923 249 T N -0.551 114.090 114.554 0.146 0.000 2.909 249 T HA 0.568 4.917 4.350 -0.001 0.000 0.286 249 T C -0.891 173.991 174.700 0.303 0.000 1.002 249 T CA -0.495 61.719 62.100 0.190 0.000 1.074 249 T CB 0.213 69.113 68.868 0.052 0.000 0.984 249 T HN 0.175 nan 8.240 nan 0.000 0.495 250 F N 2.356 122.314 119.950 0.013 0.000 2.477 250 F HA 0.508 5.035 4.527 -0.001 0.000 0.335 250 F C 0.529 176.239 175.800 -0.150 0.000 1.130 250 F CA -1.130 56.785 58.000 -0.141 0.000 0.948 250 F CB 1.236 40.033 39.000 -0.338 0.000 1.154 250 F HN 0.913 nan 8.300 nan 0.000 0.439 251 K N 4.829 124.746 120.400 -0.804 0.000 3.156 251 K HA -0.208 4.112 4.320 -0.001 0.000 0.266 251 K C 1.002 177.440 176.600 -0.270 0.000 0.966 251 K CA 0.866 56.804 56.287 -0.583 0.000 0.719 251 K CB -1.481 30.594 32.500 -0.708 0.000 1.333 251 K HN 1.332 nan 8.250 nan 0.000 0.468 252 G N -0.771 107.925 108.800 -0.175 0.000 2.302 252 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.263 252 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.263 252 G C -0.073 174.791 174.900 -0.061 0.000 0.995 252 G CA 0.706 45.748 45.100 -0.096 0.000 0.622 252 G HN 0.369 nan 8.290 nan 0.000 0.538 253 Q N 1.042 120.807 119.800 -0.059 0.000 2.243 253 Q HA 0.469 4.808 4.340 -0.001 0.000 0.252 253 Q C -2.560 173.448 176.000 0.012 0.000 0.909 253 Q CA -2.018 53.771 55.803 -0.024 0.000 0.922 253 Q CB 1.482 30.206 28.738 -0.023 0.000 1.215 253 Q HN 0.243 nan 8.270 nan 0.000 0.427 254 P HA 0.070 nan 4.420 nan 0.000 0.271 254 P C -0.448 176.859 177.300 0.011 0.000 1.218 254 P CA -0.073 63.037 63.100 0.016 0.000 0.780 254 P CB 0.640 32.333 31.700 -0.013 0.000 0.901 255 S N 1.859 117.583 115.700 0.039 0.000 2.549 255 S HA 0.082 4.552 4.470 -0.001 0.000 0.283 255 S C 0.208 174.778 174.600 -0.050 0.000 1.320 255 S CA -0.092 58.104 58.200 -0.007 0.000 1.058 255 S CB -0.240 63.008 63.200 0.080 0.000 0.882 255 S HN 0.251 nan 8.310 nan 0.000 0.498 256 K N 4.147 124.485 120.400 -0.104 0.000 2.432 256 K HA 0.284 4.604 4.320 -0.001 0.000 0.226 256 K C -2.516 174.015 176.600 -0.114 0.000 1.057 256 K CA -1.657 54.571 56.287 -0.098 0.000 1.034 256 K CB 0.710 33.157 32.500 -0.089 0.000 1.561 256 K HN 0.391 nan 8.250 nan 0.000 0.492 257 P HA 0.110 nan 4.420 nan 0.000 0.276 257 P C -0.502 176.792 177.300 -0.010 0.000 1.261 257 P CA -0.449 62.621 63.100 -0.050 0.000 0.800 257 P CB 0.582 32.258 31.700 -0.039 0.000 1.066 258 F N -0.522 119.552 119.950 0.207 0.000 2.418 258 F HA 0.167 4.693 4.527 -0.001 0.000 0.341 258 F C 0.707 176.684 175.800 0.295 0.000 1.120 258 F CA 0.056 58.241 58.000 0.309 0.000 1.232 258 F CB 0.465 39.758 39.000 0.488 0.000 1.175 258 F HN -0.064 nan 8.300 nan 0.000 0.569 259 V N 2.108 122.336 119.914 0.523 0.000 2.435 259 V HA 0.652 4.772 4.120 -0.001 0.000 0.290 259 V C 0.299 176.665 176.094 0.455 0.000 1.030 259 V CA -0.802 61.737 62.300 0.398 0.000 0.881 259 V CB 1.298 33.311 31.823 0.317 0.000 0.983 259 V HN 0.878 nan 8.190 nan 0.000 0.445 260 G N 3.283 112.306 108.800 0.371 0.000 2.502 260 G HA2 0.568 4.527 3.960 -0.001 0.000 0.311 260 G HA3 0.568 4.527 3.960 -0.001 0.000 0.311 260 G C -1.067 174.004 174.900 0.285 0.000 1.270 260 G CA -0.370 44.929 45.100 0.333 0.000 0.948 260 G HN 0.523 nan 8.290 nan 0.000 0.487 261 V N 4.309 124.483 119.914 0.433 0.000 2.328 261 V HA 0.236 4.356 4.120 -0.001 0.000 0.278 261 V C 0.114 176.320 176.094 0.186 0.000 1.021 261 V CA -0.820 61.601 62.300 0.202 0.000 0.838 261 V CB 1.214 33.027 31.823 -0.017 0.000 0.999 261 V HN 0.726 nan 8.190 nan 0.000 0.447 262 L N 6.756 128.036 121.223 0.095 0.000 2.455 262 L HA 0.551 4.890 4.340 -0.001 0.000 0.272 262 L C 0.311 177.274 176.870 0.156 0.000 1.174 262 L CA 0.915 55.802 54.840 0.078 0.000 0.869 262 L CB 0.687 42.789 42.059 0.072 0.000 1.130 262 L HN 0.841 nan 8.230 nan 0.000 0.474 263 S N 3.332 119.149 115.700 0.195 0.000 2.570 263 S HA 0.911 5.381 4.470 -0.001 0.000 0.270 263 S C -0.877 173.881 174.600 0.262 0.000 1.149 263 S CA -0.495 57.861 58.200 0.260 0.000 0.837 263 S CB 1.304 64.702 63.200 0.331 0.000 1.124 263 S HN 1.033 nan 8.310 nan 0.000 0.465 264 A N 0.841 123.691 122.820 0.050 0.000 2.287 264 A HA 0.873 5.192 4.320 -0.001 0.000 0.317 264 A C 0.333 177.886 177.584 -0.051 0.000 1.220 264 A CA -0.338 51.521 52.037 -0.297 0.000 0.835 264 A CB 0.535 18.983 19.000 -0.920 0.000 1.180 264 A HN 1.362 nan 8.150 nan 0.000 0.500 265 G N 0.826 109.526 108.800 -0.167 0.000 2.509 265 G HA2 0.613 4.572 3.960 -0.001 0.000 0.328 265 G HA3 0.613 4.572 3.960 -0.001 0.000 0.328 265 G C -0.639 174.162 174.900 -0.164 0.000 1.194 265 G CA -0.704 44.219 45.100 -0.296 0.000 0.967 265 G HN 0.690 nan 8.290 nan 0.000 0.488 266 I N 1.134 121.640 120.570 -0.107 0.000 2.404 266 I HA 0.183 4.352 4.170 -0.001 0.000 0.293 266 I C 0.141 176.226 176.117 -0.053 0.000 0.992 266 I CA -0.961 60.308 61.300 -0.053 0.000 1.149 266 I CB 1.715 39.717 38.000 0.003 0.000 1.315 266 I HN 0.348 nan 8.210 nan 0.000 0.446 267 N N 3.806 122.490 118.700 -0.026 0.000 2.407 267 N HA 0.021 4.760 4.740 -0.001 0.000 0.250 267 N C 0.807 176.289 175.510 -0.047 0.000 1.236 267 N CA 0.402 53.450 53.050 -0.003 0.000 0.879 267 N CB 1.547 40.015 38.487 -0.031 0.000 1.088 267 N HN 0.827 nan 8.380 nan 0.000 0.450 268 A N 3.634 126.417 122.820 -0.061 0.000 1.969 268 A HA 0.004 4.323 4.320 -0.001 0.000 0.218 268 A C 1.805 179.343 177.584 -0.075 0.000 1.169 268 A CA 1.657 53.654 52.037 -0.066 0.000 0.635 268 A CB -0.448 18.509 19.000 -0.072 0.000 0.810 268 A HN 0.748 nan 8.150 nan 0.000 0.445 269 A N -0.589 122.171 122.820 -0.100 0.000 2.251 269 A HA 0.350 4.669 4.320 -0.001 0.000 0.209 269 A C 1.332 178.863 177.584 -0.088 0.000 1.187 269 A CA 0.679 52.655 52.037 -0.101 0.000 0.823 269 A CB -0.517 18.404 19.000 -0.132 0.000 0.846 269 A HN 0.469 nan 8.150 nan 0.000 0.486 270 S N 0.909 116.561 115.700 -0.081 0.000 2.549 270 S HA 0.291 4.761 4.470 -0.001 0.000 0.283 270 S C -1.205 173.365 174.600 -0.051 0.000 1.320 270 S CA -0.834 57.324 58.200 -0.070 0.000 1.058 270 S CB 0.865 64.025 63.200 -0.066 0.000 0.882 270 S HN 0.279 nan 8.310 nan 0.000 0.498 271 P HA 0.158 nan 4.420 nan 0.000 0.257 271 P C -0.322 176.966 177.300 -0.020 0.000 1.241 271 P CA 0.230 63.311 63.100 -0.031 0.000 0.816 271 P CB 0.063 31.745 31.700 -0.030 0.000 1.150 272 N N 0.551 119.237 118.700 -0.023 0.000 2.558 272 N HA 0.121 4.861 4.740 -0.001 0.000 0.281 272 N C 0.950 176.456 175.510 -0.007 0.000 1.219 272 N CA -0.140 52.903 53.050 -0.011 0.000 0.942 272 N CB 0.372 38.848 38.487 -0.018 0.000 1.241 272 N HN 0.198 nan 8.380 nan 0.000 0.511 273 K N 0.731 121.128 120.400 -0.004 0.000 2.097 273 K HA -0.090 4.229 4.320 -0.001 0.000 0.205 273 K C 0.868 177.482 176.600 0.023 0.000 1.050 273 K CA 1.188 57.478 56.287 0.005 0.000 0.938 273 K CB 0.293 32.794 32.500 0.002 0.000 0.718 273 K HN 0.169 nan 8.250 nan 0.000 0.442 274 E N 0.519 120.735 120.200 0.028 0.000 2.371 274 E HA -0.023 4.326 4.350 -0.001 0.000 0.194 274 E C 1.619 178.258 176.600 0.065 0.000 1.012 274 E CA 0.398 56.824 56.400 0.042 0.000 0.860 274 E CB 0.141 29.864 29.700 0.040 0.000 0.811 274 E HN 0.192 nan 8.360 nan 0.000 0.502 275 L N -0.016 121.245 121.223 0.064 0.000 2.127 275 L HA 0.055 4.394 4.340 -0.001 0.000 0.203 275 L C 2.385 179.267 176.870 0.021 0.000 1.080 275 L CA 0.814 55.714 54.840 0.100 0.000 0.768 275 L CB -0.420 41.699 42.059 0.100 0.000 0.924 275 L HN 0.167 nan 8.230 nan 0.000 0.444 276 A N 0.517 123.330 122.820 -0.012 0.000 1.908 276 A HA -0.266 4.054 4.320 -0.001 0.000 0.218 276 A C 2.354 179.939 177.584 0.001 0.000 1.181 276 A CA 2.001 54.024 52.037 -0.023 0.000 0.627 276 A CB -0.466 18.526 19.000 -0.013 0.000 0.818 276 A HN 0.319 nan 8.150 nan 0.000 0.445 277 K N -0.589 119.820 120.400 0.015 0.000 2.362 277 K HA -0.167 4.152 4.320 -0.001 0.000 0.200 277 K C 1.797 178.364 176.600 -0.056 0.000 1.046 277 K CA 1.518 57.791 56.287 -0.023 0.000 0.952 277 K CB -0.012 32.514 32.500 0.043 0.000 0.753 277 K HN 0.447 nan 8.250 nan 0.000 0.466 278 E N -0.019 120.207 120.200 0.043 0.000 2.086 278 E HA -0.110 4.239 4.350 -0.001 0.000 0.190 278 E C 1.529 178.250 176.600 0.202 0.000 0.975 278 E CA 0.872 57.367 56.400 0.159 0.000 0.813 278 E CB -0.295 29.588 29.700 0.306 0.000 0.768 278 E HN 0.328 nan 8.360 nan 0.000 0.457 279 F N 0.364 120.204 119.950 -0.184 0.000 2.163 279 F HA 0.024 4.550 4.527 -0.001 0.000 0.297 279 F C 1.696 177.420 175.800 -0.127 0.000 1.094 279 F CA 1.192 58.960 58.000 -0.387 0.000 1.290 279 F CB -0.007 38.508 39.000 -0.809 0.000 1.017 279 F HN 0.030 nan 8.300 nan 0.000 0.483 280 L N -0.321 120.834 121.223 -0.112 0.000 2.179 280 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 280 L C 2.241 178.889 176.870 -0.371 0.000 1.096 280 L CA 1.160 55.847 54.840 -0.256 0.000 0.779 280 L CB -0.450 41.391 42.059 -0.363 0.000 0.922 280 L HN 0.164 nan 8.230 nan 0.000 0.443 281 E N -0.325 119.621 120.200 -0.423 0.000 2.057 281 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 281 E C 1.497 177.973 176.600 -0.207 0.000 0.969 281 E CA 0.540 56.619 56.400 -0.535 0.000 0.812 281 E CB 0.199 29.423 29.700 -0.794 0.000 0.777 281 E HN 0.420 nan 8.360 nan 0.000 0.455 282 N N -0.723 117.914 118.700 -0.105 0.000 2.373 282 N HA -0.002 4.738 4.740 -0.001 0.000 0.181 282 N C 0.732 176.081 175.510 -0.269 0.000 1.082 282 N CA 0.715 53.692 53.050 -0.122 0.000 0.885 282 N CB 0.467 38.899 38.487 -0.092 0.000 0.977 282 N HN 0.193 nan 8.380 nan 0.000 0.462 283 Y N -0.405 119.792 120.300 -0.171 0.000 2.678 283 Y HA 0.183 4.732 4.550 -0.001 0.000 0.274 283 Y C 1.819 177.531 175.900 -0.314 0.000 1.114 283 Y CA -0.260 57.707 58.100 -0.222 0.000 1.274 283 Y CB -0.287 38.021 38.460 -0.254 0.000 1.438 283 Y HN -0.154 nan 8.280 nan 0.000 0.493 284 L N 0.170 121.203 121.223 -0.317 0.000 2.049 284 L HA 0.068 4.408 4.340 -0.001 0.000 0.203 284 L C 1.179 177.994 176.870 -0.093 0.000 1.074 284 L CA 1.771 56.458 54.840 -0.256 0.000 0.749 284 L CB -0.601 41.284 42.059 -0.290 0.000 0.907 284 L HN 0.160 nan 8.230 nan 0.000 0.439 285 L N 0.750 121.953 121.223 -0.033 0.000 2.873 285 L HA 0.094 4.434 4.340 -0.001 0.000 0.252 285 L C 0.061 176.961 176.870 0.049 0.000 1.266 285 L CA -0.090 54.786 54.840 0.060 0.000 1.111 285 L CB -1.386 40.801 42.059 0.213 0.000 1.440 285 L HN 0.409 nan 8.230 nan 0.000 0.427 286 T N -5.962 108.576 114.554 -0.027 0.000 2.932 286 T HA 0.195 4.545 4.350 -0.001 0.000 0.289 286 T C 1.001 175.634 174.700 -0.111 0.000 1.039 286 T CA -0.793 61.281 62.100 -0.044 0.000 1.024 286 T CB 1.740 70.571 68.868 -0.062 0.000 1.090 286 T HN 0.186 nan 8.240 nan 0.000 0.496 287 D N 0.629 120.970 120.400 -0.098 0.000 2.149 287 D HA -0.205 4.434 4.640 -0.001 0.000 0.198 287 D C 1.408 177.531 176.300 -0.296 0.000 0.990 287 D CA 1.124 54.998 54.000 -0.211 0.000 0.839 287 D CB -0.199 40.626 40.800 0.041 0.000 0.948 287 D HN 0.627 nan 8.370 nan 0.000 0.460 288 E N 0.841 120.951 120.200 -0.149 0.000 2.204 288 E HA -0.017 4.332 4.350 -0.001 0.000 0.194 288 E C 2.166 178.691 176.600 -0.125 0.000 0.989 288 E CA 1.293 57.625 56.400 -0.113 0.000 0.824 288 E CB -0.598 29.067 29.700 -0.058 0.000 0.756 288 E HN 0.393 nan 8.360 nan 0.000 0.477 289 G N 0.210 108.928 108.800 -0.136 0.000 2.404 289 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.214 289 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.214 289 G C 1.441 176.242 174.900 -0.166 0.000 1.189 289 G CA 0.560 45.589 45.100 -0.118 0.000 0.789 289 G HN 0.281 nan 8.290 nan 0.000 0.533 290 L N 0.379 121.437 121.223 -0.276 0.000 2.376 290 L HA 0.073 4.413 4.340 -0.001 0.000 0.219 290 L C 2.587 179.166 176.870 -0.485 0.000 1.133 290 L CA 0.637 55.266 54.840 -0.352 0.000 0.816 290 L CB -0.174 41.647 42.059 -0.397 0.000 0.933 290 L HN 0.357 nan 8.230 nan 0.000 0.449 291 E N 0.637 120.520 120.200 -0.529 0.000 2.150 291 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 291 E C 2.178 178.733 176.600 -0.074 0.000 0.985 291 E CA 1.038 57.279 56.400 -0.266 0.000 0.814 291 E CB 0.157 29.769 29.700 -0.146 0.000 0.752 291 E HN 0.478 nan 8.360 nan 0.000 0.466 292 A N 0.191 122.961 122.820 -0.084 0.000 1.935 292 A HA -0.032 4.287 4.320 -0.001 0.000 0.214 292 A C 2.292 179.856 177.584 -0.033 0.000 1.178 292 A CA 0.764 52.780 52.037 -0.036 0.000 0.640 292 A CB -0.276 18.711 19.000 -0.023 0.000 0.825 292 A HN 0.178 nan 8.150 nan 0.000 0.447 293 V N 0.871 120.757 119.914 -0.047 0.000 2.307 293 V HA -0.243 3.876 4.120 -0.001 0.000 0.245 293 V C 2.381 178.466 176.094 -0.015 0.000 1.045 293 V CA 2.270 64.545 62.300 -0.041 0.000 1.024 293 V CB -1.144 30.652 31.823 -0.045 0.000 0.651 293 V HN 0.660 nan 8.190 nan 0.000 0.449 294 N N 0.249 118.961 118.700 0.021 0.000 2.166 294 N HA -0.170 4.569 4.740 -0.001 0.000 0.186 294 N C 1.818 177.365 175.510 0.062 0.000 1.019 294 N CA 1.387 54.486 53.050 0.082 0.000 0.856 294 N CB -0.182 38.428 38.487 0.204 0.000 0.993 294 N HN 0.393 nan 8.380 nan 0.000 0.426 295 K N -0.266 120.160 120.400 0.044 0.000 2.148 295 K HA -0.130 4.190 4.320 -0.001 0.000 0.204 295 K C 1.188 177.789 176.600 0.002 0.000 1.050 295 K CA 1.150 57.455 56.287 0.031 0.000 0.942 295 K CB -0.130 32.386 32.500 0.026 0.000 0.724 295 K HN 0.286 nan 8.250 nan 0.000 0.446 296 D N 0.657 121.041 120.400 -0.026 0.000 2.083 296 D HA -0.058 4.582 4.640 -0.001 0.000 0.199 296 D C -0.195 176.073 176.300 -0.053 0.000 0.980 296 D CA 1.435 55.396 54.000 -0.066 0.000 0.851 296 D CB 0.313 41.039 40.800 -0.123 0.000 0.997 296 D HN -0.194 nan 8.370 nan 0.000 0.449 297 K N 0.155 120.526 120.400 -0.048 0.000 2.463 297 K HA 0.405 4.725 4.320 -0.001 0.000 0.255 297 K C -2.541 174.064 176.600 0.009 0.000 0.942 297 K CA -2.203 54.072 56.287 -0.021 0.000 0.814 297 K CB 2.372 34.848 32.500 -0.040 0.000 1.122 297 K HN 0.024 nan 8.250 nan 0.000 0.425 298 P HA -0.015 nan 4.420 nan 0.000 0.264 298 P C 0.051 177.377 177.300 0.044 0.000 1.193 298 P CA 0.179 63.316 63.100 0.062 0.000 0.763 298 P CB 0.693 32.445 31.700 0.086 0.000 0.810 299 L N 1.616 122.877 121.223 0.063 0.000 2.509 299 L HA 0.131 4.470 4.340 -0.001 0.000 0.222 299 L C 1.754 178.647 176.870 0.038 0.000 1.123 299 L CA 0.930 55.801 54.840 0.052 0.000 0.856 299 L CB -0.697 41.411 42.059 0.082 0.000 0.985 299 L HN 0.719 nan 8.230 nan 0.000 0.456 300 G N 0.562 109.386 108.800 0.041 0.000 2.596 300 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.258 300 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.258 300 G C 0.057 174.999 174.900 0.069 0.000 1.207 300 G CA -0.150 44.960 45.100 0.016 0.000 0.954 300 G HN 0.457 nan 8.290 nan 0.000 0.551 301 A N 0.505 123.364 122.820 0.065 0.000 2.320 301 A HA 0.745 5.064 4.320 -0.001 0.000 0.287 301 A C 0.590 178.242 177.584 0.112 0.000 1.181 301 A CA 0.536 52.626 52.037 0.089 0.000 0.831 301 A CB 0.595 19.644 19.000 0.082 0.000 1.102 301 A HN 2.229 nan 8.150 nan 0.000 0.513 302 V N 0.475 120.477 119.914 0.146 0.000 2.716 302 V HA 0.708 4.828 4.120 -0.001 0.000 0.304 302 V C 1.076 177.277 176.094 0.177 0.000 1.053 302 V CA 0.007 62.408 62.300 0.170 0.000 0.984 302 V CB 0.931 32.906 31.823 0.253 0.000 1.021 302 V HN 1.155 nan 8.190 nan 0.000 0.467 303 A N 3.315 126.193 122.820 0.096 0.000 1.968 303 A HA 0.123 4.443 4.320 -0.001 0.000 0.217 303 A C 1.204 178.776 177.584 -0.021 0.000 1.169 303 A CA 0.974 53.025 52.037 0.024 0.000 0.638 303 A CB -0.496 18.418 19.000 -0.143 0.000 0.812 303 A HN 1.113 nan 8.150 nan 0.000 0.446 304 L N 0.617 121.827 121.223 -0.022 0.000 2.418 304 L HA 0.175 4.514 4.340 -0.001 0.000 0.274 304 L C 1.054 177.868 176.870 -0.094 0.000 1.135 304 L CA 0.210 54.992 54.840 -0.096 0.000 0.870 304 L CB 0.260 42.306 42.059 -0.021 0.000 1.154 304 L HN 0.272 nan 8.230 nan 0.000 0.462 305 K N 1.989 122.196 120.400 -0.321 0.000 2.001 305 K HA -0.204 4.115 4.320 -0.001 0.000 0.214 305 K C 2.049 178.600 176.600 -0.082 0.000 1.050 305 K CA 2.065 58.133 56.287 -0.366 0.000 0.934 305 K CB -0.223 31.999 32.500 -0.463 0.000 0.718 305 K HN 0.962 nan 8.250 nan 0.000 0.443 306 S N 0.391 116.063 115.700 -0.046 0.000 2.365 306 S HA -0.255 4.214 4.470 -0.001 0.000 0.225 306 S C 2.078 176.736 174.600 0.097 0.000 1.039 306 S CA 1.444 59.658 58.200 0.024 0.000 1.033 306 S CB -0.749 62.468 63.200 0.027 0.000 0.887 306 S HN 0.397 nan 8.310 nan 0.000 0.447 307 Y N 2.276 122.573 120.300 -0.006 0.000 2.457 307 Y HA 0.152 4.702 4.550 -0.001 0.000 0.292 307 Y C 2.399 178.329 175.900 0.050 0.000 1.125 307 Y CA 1.178 59.290 58.100 0.020 0.000 1.254 307 Y CB -0.381 38.090 38.460 0.019 0.000 1.012 307 Y HN 0.387 nan 8.280 nan 0.000 0.555 308 E N 0.805 121.040 120.200 0.058 0.000 2.072 308 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 308 E C 1.713 178.315 176.600 0.003 0.000 0.985 308 E CA 1.873 58.306 56.400 0.056 0.000 0.801 308 E CB -0.214 29.655 29.700 0.282 0.000 0.750 308 E HN 0.559 nan 8.360 nan 0.000 0.452 309 E N -0.095 120.123 120.200 0.030 0.000 2.401 309 E HA -0.169 4.181 4.350 -0.001 0.000 0.199 309 E C 1.672 178.248 176.600 -0.039 0.000 1.023 309 E CA 0.924 57.333 56.400 0.015 0.000 0.859 309 E CB 0.021 29.739 29.700 0.031 0.000 0.780 309 E HN 0.398 nan 8.360 nan 0.000 0.523 310 E N 0.142 120.276 120.200 -0.111 0.000 2.166 310 E HA -0.010 4.340 4.350 -0.001 0.000 0.192 310 E C 1.795 178.271 176.600 -0.208 0.000 0.967 310 E CA 0.131 56.439 56.400 -0.153 0.000 0.840 310 E CB 0.254 29.852 29.700 -0.171 0.000 0.795 310 E HN 0.191 nan 8.360 nan 0.000 0.470 311 L N 0.429 121.468 121.223 -0.306 0.000 2.240 311 L HA 0.056 4.395 4.340 -0.001 0.000 0.211 311 L C 2.336 179.152 176.870 -0.089 0.000 1.106 311 L CA 0.620 55.325 54.840 -0.225 0.000 0.793 311 L CB -0.207 41.696 42.059 -0.261 0.000 0.927 311 L HN 0.179 nan 8.230 nan 0.000 0.446 312 A N -0.141 122.642 122.820 -0.063 0.000 2.234 312 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 312 A C 2.121 179.690 177.584 -0.026 0.000 1.167 312 A CA 1.012 53.036 52.037 -0.022 0.000 0.698 312 A CB -0.320 18.678 19.000 -0.002 0.000 0.779 312 A HN 0.268 nan 8.150 nan 0.000 0.475 313 K N 0.407 120.784 120.400 -0.039 0.000 2.097 313 K HA -0.137 4.183 4.320 -0.001 0.000 0.206 313 K C 0.153 176.729 176.600 -0.040 0.000 1.049 313 K CA 0.736 57.002 56.287 -0.036 0.000 0.933 313 K CB -0.343 32.135 32.500 -0.037 0.000 0.717 313 K HN 0.466 nan 8.250 nan 0.000 0.442 314 D N 1.791 122.169 120.400 -0.036 0.000 2.346 314 D HA 0.006 4.645 4.640 -0.001 0.000 0.260 314 D C -1.538 174.730 176.300 -0.053 0.000 1.252 314 D CA -2.060 51.913 54.000 -0.046 0.000 0.895 314 D CB 1.234 42.028 40.800 -0.010 0.000 1.097 314 D HN -0.052 nan 8.370 nan 0.000 0.489 315 P HA -0.130 nan 4.420 nan 0.000 0.220 315 P C 1.077 178.318 177.300 -0.097 0.000 1.148 315 P CA 0.860 63.909 63.100 -0.085 0.000 0.803 315 P CB 0.458 32.093 31.700 -0.108 0.000 0.782 316 R N -0.224 120.168 120.500 -0.179 0.000 2.062 316 R HA -0.023 4.316 4.340 -0.001 0.000 0.231 316 R C 2.625 178.988 176.300 0.105 0.000 1.136 316 R CA 1.210 57.167 56.100 -0.237 0.000 0.948 316 R CB -0.998 28.835 30.300 -0.778 0.000 0.845 316 R HN 0.200 nan 8.270 nan 0.000 0.430 317 I N 0.948 121.626 120.570 0.180 0.000 2.226 317 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 317 I C 2.627 178.816 176.117 0.119 0.000 1.100 317 I CA 1.211 62.656 61.300 0.241 0.000 1.374 317 I CB -0.366 37.739 38.000 0.175 0.000 1.057 317 I HN 0.227 nan 8.210 nan 0.000 0.413 318 A N 0.622 123.475 122.820 0.055 0.000 1.940 318 A HA -0.212 4.108 4.320 -0.001 0.000 0.219 318 A C 2.505 180.103 177.584 0.022 0.000 1.176 318 A CA 2.019 54.071 52.037 0.024 0.000 0.631 318 A CB -0.815 18.186 19.000 0.001 0.000 0.814 318 A HN 0.448 nan 8.150 nan 0.000 0.446 319 A N -1.460 121.381 122.820 0.035 0.000 1.897 319 A HA -0.023 4.297 4.320 -0.001 0.000 0.215 319 A C 2.286 179.900 177.584 0.050 0.000 1.181 319 A CA 2.099 54.156 52.037 0.033 0.000 0.620 319 A CB -1.191 17.829 19.000 0.034 0.000 0.821 319 A HN 0.401 nan 8.150 nan 0.000 0.443 320 T N -0.215 114.404 114.554 0.109 0.000 2.720 320 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 320 T C 1.928 176.652 174.700 0.040 0.000 1.037 320 T CA 2.030 64.189 62.100 0.098 0.000 1.144 320 T CB -0.291 68.662 68.868 0.142 0.000 0.864 320 T HN 0.437 nan 8.240 nan 0.000 0.444 321 M N 1.451 121.067 119.600 0.026 0.000 2.117 321 M HA -0.019 4.460 4.480 -0.001 0.000 0.262 321 M C 2.051 178.293 176.300 -0.096 0.000 1.065 321 M CA 1.621 56.904 55.300 -0.028 0.000 1.114 321 M CB -0.558 32.017 32.600 -0.043 0.000 1.361 321 M HN 0.234 nan 8.290 nan 0.000 0.408 322 E N -0.593 119.563 120.200 -0.073 0.000 2.110 322 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 322 E C 1.585 178.119 176.600 -0.111 0.000 0.988 322 E CA 1.264 57.606 56.400 -0.096 0.000 0.804 322 E CB -0.075 29.591 29.700 -0.056 0.000 0.745 322 E HN 0.573 nan 8.360 nan 0.000 0.458 323 N N 0.072 118.729 118.700 -0.071 0.000 2.331 323 N HA -0.098 4.641 4.740 -0.001 0.000 0.180 323 N C 1.488 176.943 175.510 -0.092 0.000 1.019 323 N CA 0.972 53.985 53.050 -0.063 0.000 0.881 323 N CB -0.023 38.451 38.487 -0.022 0.000 0.972 323 N HN 0.189 nan 8.380 nan 0.000 0.435 324 A N 1.098 123.848 122.820 -0.117 0.000 1.897 324 A HA -0.085 4.234 4.320 -0.001 0.000 0.215 324 A C 2.104 179.392 177.584 -0.495 0.000 1.181 324 A CA 0.879 52.817 52.037 -0.166 0.000 0.620 324 A CB -0.412 18.569 19.000 -0.031 0.000 0.821 324 A HN 0.247 nan 8.150 nan 0.000 0.443 325 Q N -0.363 119.068 119.800 -0.615 0.000 2.226 325 Q HA -0.119 4.220 4.340 -0.001 0.000 0.204 325 Q C 1.706 177.460 176.000 -0.409 0.000 0.975 325 Q CA 1.426 56.772 55.803 -0.761 0.000 0.866 325 Q CB -0.101 28.337 28.738 -0.500 0.000 0.915 325 Q HN 0.614 nan 8.270 nan 0.000 0.440 326 K N -0.171 120.075 120.400 -0.256 0.000 2.314 326 K HA 0.062 4.382 4.320 -0.001 0.000 0.198 326 K C 0.945 177.470 176.600 -0.124 0.000 1.045 326 K CA 0.329 56.525 56.287 -0.151 0.000 0.988 326 K CB 0.326 32.766 32.500 -0.101 0.000 0.783 326 K HN 0.089 nan 8.250 nan 0.000 0.484 327 G N 1.705 110.423 108.800 -0.137 0.000 2.580 327 G HA2 0.045 4.005 3.960 -0.001 0.000 0.278 327 G HA3 0.045 4.005 3.960 -0.001 0.000 0.278 327 G C -0.869 174.012 174.900 -0.032 0.000 1.212 327 G CA -0.442 44.616 45.100 -0.070 0.000 0.939 327 G HN 0.192 nan 8.290 nan 0.000 0.513 328 E N -0.526 119.688 120.200 0.024 0.000 2.204 328 E HA 0.355 4.705 4.350 -0.001 0.000 0.276 328 E C -0.700 176.051 176.600 0.252 0.000 0.974 328 E CA -0.786 55.681 56.400 0.113 0.000 0.815 328 E CB 1.299 31.076 29.700 0.128 0.000 1.119 328 E HN 0.265 nan 8.360 nan 0.000 0.393 329 I N 3.948 124.668 120.570 0.249 0.000 2.452 329 I HA 0.050 4.220 4.170 -0.001 0.000 0.287 329 I C 0.955 177.330 176.117 0.431 0.000 1.079 329 I CA -0.021 61.456 61.300 0.295 0.000 1.387 329 I CB 0.617 38.688 38.000 0.118 0.000 1.404 329 I HN 0.578 nan 8.210 nan 0.000 0.522 330 M N 9.159 129.077 119.600 0.530 0.000 2.474 330 M HA 0.116 4.595 4.480 -0.001 0.000 0.352 330 M C -2.172 174.242 176.300 0.190 0.000 1.690 330 M CA -1.193 54.294 55.300 0.312 0.000 1.112 330 M CB 0.223 32.904 32.600 0.136 0.000 2.062 330 M HN 0.205 nan 8.290 nan 0.000 0.461 331 P HA -0.037 nan 4.420 nan 0.000 0.261 331 P C -0.412 176.753 177.300 -0.224 0.000 1.183 331 P CA 0.244 63.145 63.100 -0.332 0.000 0.761 331 P CB 0.253 31.538 31.700 -0.692 0.000 0.785 332 N N 3.578 122.241 118.700 -0.062 0.000 2.398 332 N HA -0.020 4.719 4.740 -0.001 0.000 0.188 332 N C 0.601 176.121 175.510 0.017 0.000 1.122 332 N CA 0.123 53.188 53.050 0.026 0.000 0.866 332 N CB -0.675 37.948 38.487 0.227 0.000 0.970 332 N HN 0.426 nan 8.380 nan 0.000 0.462 333 I N -2.212 118.294 120.570 -0.107 0.000 2.779 333 I HA 0.238 4.407 4.170 -0.001 0.000 0.285 333 I C -1.322 174.731 176.117 -0.107 0.000 1.134 333 I CA -1.744 59.506 61.300 -0.083 0.000 1.398 333 I CB 0.448 38.277 38.000 -0.286 0.000 1.404 333 I HN -0.273 nan 8.210 nan 0.000 0.587 334 P HA -0.093 nan 4.420 nan 0.000 0.229 334 P C 0.999 178.274 177.300 -0.042 0.000 1.160 334 P CA 1.083 64.162 63.100 -0.035 0.000 0.777 334 P CB 0.183 31.881 31.700 -0.003 0.000 0.814 335 Q N -1.244 118.497 119.800 -0.099 0.000 2.369 335 Q HA -0.020 4.319 4.340 -0.001 0.000 0.206 335 Q C 2.075 178.117 176.000 0.070 0.000 0.963 335 Q CA 0.881 56.661 55.803 -0.038 0.000 0.894 335 Q CB -0.814 27.821 28.738 -0.173 0.000 0.965 335 Q HN 0.119 nan 8.270 nan 0.000 0.475 336 M N -0.324 119.255 119.600 -0.035 0.000 2.159 336 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 336 M C 1.689 177.933 176.300 -0.095 0.000 1.063 336 M CA 1.388 56.625 55.300 -0.105 0.000 1.110 336 M CB -0.306 32.136 32.600 -0.263 0.000 1.374 336 M HN 0.077 nan 8.290 nan 0.000 0.411 337 S N 0.436 116.148 115.700 0.020 0.000 2.380 337 S HA -0.221 4.249 4.470 -0.001 0.000 0.229 337 S C 2.058 176.757 174.600 0.164 0.000 1.043 337 S CA 1.493 59.766 58.200 0.122 0.000 1.038 337 S CB -0.943 62.307 63.200 0.083 0.000 0.872 337 S HN 0.684 nan 8.310 nan 0.000 0.456 338 A N 1.286 124.189 122.820 0.139 0.000 1.858 338 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 338 A C 1.885 179.576 177.584 0.177 0.000 1.190 338 A CA 1.550 53.689 52.037 0.171 0.000 0.617 338 A CB -1.084 18.011 19.000 0.159 0.000 0.827 338 A HN 0.480 nan 8.150 nan 0.000 0.443 339 F N -0.553 119.369 119.950 -0.046 0.000 2.085 339 F HA -0.322 4.205 4.527 -0.001 0.000 0.299 339 F C 2.113 177.853 175.800 -0.101 0.000 1.096 339 F CA 2.223 60.103 58.000 -0.201 0.000 1.227 339 F CB -0.473 38.242 39.000 -0.474 0.000 0.983 339 F HN 0.461 nan 8.300 nan 0.000 0.482 340 W N -1.283 120.022 121.300 0.009 0.000 2.333 340 W HA -0.289 4.370 4.660 -0.001 0.000 0.316 340 W C 2.526 179.002 176.519 -0.072 0.000 1.215 340 W CA 1.238 58.535 57.345 -0.082 0.000 1.278 340 W CB -1.069 28.415 29.460 0.040 0.000 1.154 340 W HN 0.124 nan 8.180 nan 0.000 0.486 341 Y N 0.649 121.050 120.300 0.167 0.000 2.293 341 Y HA -0.203 4.346 4.550 -0.001 0.000 0.291 341 Y C 2.330 178.239 175.900 0.016 0.000 1.137 341 Y CA 1.760 59.908 58.100 0.081 0.000 1.202 341 Y CB -0.504 38.001 38.460 0.075 0.000 0.990 341 Y HN -0.065 nan 8.280 nan 0.000 0.537 342 A N -0.951 121.884 122.820 0.024 0.000 1.873 342 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 342 A C 2.197 179.687 177.584 -0.156 0.000 1.186 342 A CA 1.862 53.855 52.037 -0.072 0.000 0.616 342 A CB -1.144 17.828 19.000 -0.046 0.000 0.823 342 A HN 0.263 nan 8.150 nan 0.000 0.442 343 V N -0.045 119.722 119.914 -0.246 0.000 2.667 343 V HA -0.144 3.976 4.120 -0.001 0.000 0.252 343 V C 2.584 178.633 176.094 -0.075 0.000 1.065 343 V CA 1.617 63.795 62.300 -0.204 0.000 1.083 343 V CB -0.817 30.745 31.823 -0.436 0.000 0.692 343 V HN 0.479 nan 8.190 nan 0.000 0.468 344 R N 0.416 120.869 120.500 -0.078 0.000 2.081 344 R HA -0.149 4.190 4.340 -0.001 0.000 0.235 344 R C 2.313 178.540 176.300 -0.121 0.000 1.131 344 R CA 2.156 58.215 56.100 -0.069 0.000 0.960 344 R CB -0.541 29.704 30.300 -0.091 0.000 0.856 344 R HN 0.593 nan 8.270 nan 0.000 0.436 345 T N 0.384 114.816 114.554 -0.204 0.000 2.812 345 T HA -0.003 4.347 4.350 -0.001 0.000 0.264 345 T C 1.943 176.586 174.700 -0.094 0.000 1.042 345 T CA 1.029 63.023 62.100 -0.176 0.000 1.140 345 T CB -0.269 68.465 68.868 -0.224 0.000 0.870 345 T HN 0.316 nan 8.240 nan 0.000 0.445 346 A N 1.486 124.260 122.820 -0.077 0.000 1.873 346 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 346 A C 2.599 180.172 177.584 -0.017 0.000 1.193 346 A CA 1.819 53.833 52.037 -0.038 0.000 0.629 346 A CB -1.247 17.738 19.000 -0.025 0.000 0.826 346 A HN 0.348 nan 8.150 nan 0.000 0.447 347 V N 0.304 120.218 119.914 -0.000 0.000 2.427 347 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 347 V C 2.403 178.492 176.094 -0.008 0.000 1.051 347 V CA 1.607 63.917 62.300 0.017 0.000 1.048 347 V CB -0.627 31.234 31.823 0.063 0.000 0.666 347 V HN 0.507 nan 8.190 nan 0.000 0.456 348 I N 0.670 121.226 120.570 -0.023 0.000 2.286 348 I HA -0.113 4.056 4.170 -0.001 0.000 0.245 348 I C 2.189 178.286 176.117 -0.033 0.000 1.104 348 I CA 1.363 62.644 61.300 -0.033 0.000 1.397 348 I CB -1.473 36.501 38.000 -0.043 0.000 1.072 348 I HN 0.355 nan 8.210 nan 0.000 0.417 349 N N 1.290 119.968 118.700 -0.036 0.000 2.244 349 N HA -0.052 4.687 4.740 -0.001 0.000 0.183 349 N C 1.888 177.384 175.510 -0.024 0.000 1.016 349 N CA 1.394 54.426 53.050 -0.030 0.000 0.866 349 N CB -0.191 38.278 38.487 -0.031 0.000 0.980 349 N HN 0.334 nan 8.380 nan 0.000 0.430 350 A N 0.472 123.279 122.820 -0.021 0.000 1.929 350 A HA 0.189 4.508 4.320 -0.001 0.000 0.216 350 A C 2.240 179.810 177.584 -0.023 0.000 1.176 350 A CA 1.497 53.523 52.037 -0.018 0.000 0.628 350 A CB -0.613 18.379 19.000 -0.014 0.000 0.816 350 A HN 0.273 nan 8.150 nan 0.000 0.444 351 A N 0.242 123.046 122.820 -0.027 0.000 1.968 351 A HA -0.013 4.307 4.320 -0.001 0.000 0.217 351 A C 2.365 179.929 177.584 -0.034 0.000 1.169 351 A CA 1.958 53.974 52.037 -0.034 0.000 0.638 351 A CB -0.683 18.292 19.000 -0.041 0.000 0.812 351 A HN 0.938 nan 8.150 nan 0.000 0.446 352 S N -2.138 113.544 115.700 -0.030 0.000 2.558 352 S HA 0.360 4.830 4.470 -0.001 0.000 0.217 352 S C 1.516 176.102 174.600 -0.024 0.000 0.975 352 S CA 1.124 59.308 58.200 -0.027 0.000 0.912 352 S CB -0.183 63.002 63.200 -0.026 0.000 0.776 352 S HN 1.857 nan 8.310 nan 0.000 0.526 353 G N 1.998 110.784 108.800 -0.023 0.000 2.179 353 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.260 353 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.260 353 G C 0.877 175.767 174.900 -0.016 0.000 0.977 353 G CA 0.413 45.501 45.100 -0.019 0.000 0.641 353 G HN 0.542 nan 8.290 nan 0.000 0.533 354 R N 0.191 120.681 120.500 -0.016 0.000 2.193 354 R HA 0.032 4.371 4.340 -0.001 0.000 0.229 354 R C 0.888 177.181 176.300 -0.012 0.000 1.110 354 R CA 1.694 57.785 56.100 -0.014 0.000 0.988 354 R CB -0.036 30.255 30.300 -0.016 0.000 0.871 354 R HN 0.613 nan 8.270 nan 0.000 0.458 355 Q N -1.036 118.756 119.800 -0.013 0.000 2.462 355 Q HA 0.185 4.524 4.340 -0.001 0.000 0.285 355 Q C -0.952 175.042 176.000 -0.009 0.000 1.035 355 Q CA -0.684 55.113 55.803 -0.010 0.000 0.799 355 Q CB 2.405 31.137 28.738 -0.010 0.000 1.452 355 Q HN 0.130 nan 8.270 nan 0.000 0.404 356 T N -2.662 111.888 114.554 -0.006 0.000 2.788 356 T HA 0.259 4.609 4.350 -0.001 0.000 0.280 356 T C 1.390 176.088 174.700 -0.003 0.000 0.984 356 T CA -0.633 61.465 62.100 -0.004 0.000 0.972 356 T CB 0.494 69.362 68.868 -0.001 0.000 1.039 356 T HN 0.326 nan 8.240 nan 0.000 0.530 357 V N 1.054 120.967 119.914 -0.001 0.000 2.219 357 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 357 V C 2.609 178.704 176.094 0.002 0.000 1.053 357 V CA 2.219 64.519 62.300 0.000 0.000 1.009 357 V CB -0.945 30.881 31.823 0.006 0.000 0.636 357 V HN 0.908 nan 8.190 nan 0.000 0.445 358 D N 0.442 120.845 120.400 0.005 0.000 2.116 358 D HA -0.203 4.437 4.640 -0.001 0.000 0.193 358 D C 2.175 178.478 176.300 0.005 0.000 0.998 358 D CA 1.944 55.948 54.000 0.006 0.000 0.836 358 D CB -0.071 40.734 40.800 0.008 0.000 0.951 358 D HN 0.503 nan 8.370 nan 0.000 0.449 359 A N 1.011 123.832 122.820 0.003 0.000 1.929 359 A HA 0.092 4.412 4.320 -0.001 0.000 0.216 359 A C 2.285 179.869 177.584 0.000 0.000 1.176 359 A CA 1.649 53.688 52.037 0.002 0.000 0.628 359 A CB -0.320 18.681 19.000 0.001 0.000 0.816 359 A HN 0.247 nan 8.150 nan 0.000 0.444 360 A N -0.310 122.508 122.820 -0.003 0.000 1.898 360 A HA 0.117 4.436 4.320 -0.001 0.000 0.214 360 A C 2.060 179.640 177.584 -0.006 0.000 1.183 360 A CA 1.189 53.222 52.037 -0.007 0.000 0.622 360 A CB -0.503 18.491 19.000 -0.011 0.000 0.824 360 A HN 0.422 nan 8.150 nan 0.000 0.444 361 L N -0.741 120.482 121.223 -0.000 0.000 2.291 361 L HA -0.091 4.249 4.340 -0.001 0.000 0.214 361 L C 2.831 179.704 176.870 0.005 0.000 1.120 361 L CA 0.750 55.593 54.840 0.005 0.000 0.799 361 L CB -0.300 41.765 42.059 0.009 0.000 0.925 361 L HN 0.431 nan 8.230 nan 0.000 0.446 362 A N -0.257 122.567 122.820 0.005 0.000 2.067 362 A HA 0.073 4.393 4.320 -0.001 0.000 0.217 362 A C 2.448 180.038 177.584 0.011 0.000 1.156 362 A CA 1.173 53.215 52.037 0.009 0.000 0.683 362 A CB -0.316 18.690 19.000 0.010 0.000 0.808 362 A HN 0.346 nan 8.150 nan 0.000 0.455 363 A N -0.171 122.653 122.820 0.006 0.000 1.970 363 A HA 0.336 4.655 4.320 -0.001 0.000 0.216 363 A C 2.385 179.973 177.584 0.008 0.000 1.170 363 A CA 1.444 53.485 52.037 0.008 0.000 0.645 363 A CB -0.715 18.286 19.000 0.002 0.000 0.816 363 A HN 0.855 nan 8.150 nan 0.000 0.447 364 A N -0.831 121.986 122.820 -0.004 0.000 1.902 364 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 364 A C 2.137 179.724 177.584 0.005 0.000 1.181 364 A CA 1.621 53.649 52.037 -0.015 0.000 0.623 364 A CB -0.522 18.454 19.000 -0.040 0.000 0.818 364 A HN 0.564 nan 8.150 nan 0.000 0.443 365 Q N -0.486 119.322 119.800 0.014 0.000 2.291 365 Q HA -0.138 4.201 4.340 -0.001 0.000 0.205 365 Q C 2.101 178.127 176.000 0.044 0.000 0.970 365 Q CA 1.832 57.652 55.803 0.028 0.000 0.876 365 Q CB -0.110 28.642 28.738 0.023 0.000 0.935 365 Q HN 0.876 nan 8.270 nan 0.000 0.455 366 T N -2.308 112.270 114.554 0.039 0.000 2.939 366 T HA 0.011 4.360 4.350 -0.001 0.000 0.254 366 T C 1.427 176.161 174.700 0.056 0.000 1.041 366 T CA 0.760 62.888 62.100 0.046 0.000 1.142 366 T CB -0.147 68.743 68.868 0.037 0.000 0.874 366 T HN 0.113 nan 8.240 nan 0.000 0.452 367 N N 2.504 121.236 118.700 0.054 0.000 2.120 367 N HA 0.120 4.859 4.740 -0.001 0.000 0.188 367 N C 2.240 177.807 175.510 0.095 0.000 1.024 367 N CA 1.542 54.636 53.050 0.074 0.000 0.852 367 N CB -0.898 37.633 38.487 0.073 0.000 1.003 367 N HN 0.617 nan 8.380 nan 0.000 0.424 368 A N 0.799 123.671 122.820 0.088 0.000 1.908 368 A HA -0.030 4.289 4.320 -0.001 0.000 0.218 368 A C 2.325 179.989 177.584 0.133 0.000 1.181 368 A CA 2.083 54.190 52.037 0.117 0.000 0.627 368 A CB -0.896 18.170 19.000 0.111 0.000 0.818 368 A HN 0.331 nan 8.150 nan 0.000 0.445 369 A N -0.330 122.559 122.820 0.115 0.000 1.872 369 A HA 0.240 4.560 4.320 -0.001 0.000 0.214 369 A C 2.528 180.164 177.584 0.087 0.000 1.187 369 A CA 1.939 54.042 52.037 0.109 0.000 0.614 369 A CB -1.064 17.994 19.000 0.096 0.000 0.826 369 A HN 1.057 nan 8.150 nan 0.000 0.442 370 A N -1.090 121.776 122.820 0.077 0.000 1.902 370 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 370 A C 2.182 179.803 177.584 0.062 0.000 1.181 370 A CA 2.266 54.342 52.037 0.063 0.000 0.623 370 A CB -0.469 18.566 19.000 0.059 0.000 0.818 370 A HN 0.515 nan 8.150 nan 0.000 0.443 371 M N -0.351 119.294 119.600 0.075 0.000 2.085 371 M HA 0.130 4.610 4.480 -0.001 0.000 0.258 371 M C 2.341 178.676 176.300 0.059 0.000 1.089 371 M CA 1.781 57.118 55.300 0.063 0.000 1.123 371 M CB -0.830 31.817 32.600 0.080 0.000 1.284 371 M HN 0.369 nan 8.290 nan 0.000 0.421 372 A N -0.470 122.397 122.820 0.079 0.000 1.909 372 A HA -0.326 3.994 4.320 -0.001 0.000 0.221 372 A C 2.276 179.897 177.584 0.060 0.000 1.223 372 A CA 3.515 55.596 52.037 0.073 0.000 0.658 372 A CB -2.035 17.024 19.000 0.099 0.000 0.831 372 A HN 0.751 nan 8.150 nan 0.000 0.462 373 T N -1.784 112.809 114.554 0.064 0.000 2.701 373 T HA -0.021 4.329 4.350 -0.001 0.000 0.263 373 T C 1.684 176.419 174.700 0.058 0.000 1.040 373 T CA 1.513 63.649 62.100 0.060 0.000 1.147 373 T CB -0.547 68.356 68.868 0.060 0.000 0.865 373 T HN 0.304 nan 8.240 nan 0.000 0.426 374 L N 0.491 121.743 121.223 0.048 0.000 2.554 374 L HA 0.307 4.647 4.340 -0.001 0.000 0.226 374 L C 2.671 179.560 176.870 0.032 0.000 1.137 374 L CA 0.586 55.447 54.840 0.035 0.000 0.863 374 L CB -0.295 41.778 42.059 0.023 0.000 0.985 374 L HN 0.274 nan 8.230 nan 0.000 0.451 375 E N 0.821 121.043 120.200 0.037 0.000 2.127 375 E HA -0.134 4.216 4.350 -0.001 0.000 0.191 375 E C 2.128 178.761 176.600 0.054 0.000 0.964 375 E CA 0.729 57.148 56.400 0.032 0.000 0.832 375 E CB 0.131 29.839 29.700 0.015 0.000 0.790 375 E HN 0.106 nan 8.360 nan 0.000 0.465 376 K N 0.458 120.894 120.400 0.060 0.000 2.152 376 K HA -0.147 4.173 4.320 -0.001 0.000 0.206 376 K C 2.001 178.671 176.600 0.115 0.000 1.048 376 K CA 1.002 57.332 56.287 0.072 0.000 0.933 376 K CB -0.187 32.348 32.500 0.059 0.000 0.721 376 K HN 0.224 nan 8.250 nan 0.000 0.447 377 L N 0.495 121.799 121.223 0.135 0.000 1.932 377 L HA -0.269 4.071 4.340 -0.001 0.000 0.217 377 L C 2.718 179.783 176.870 0.324 0.000 1.077 377 L CA 1.338 56.320 54.840 0.237 0.000 0.765 377 L CB -0.478 41.656 42.059 0.126 0.000 0.888 377 L HN 0.244 nan 8.230 nan 0.000 0.433 378 M N -0.382 119.310 119.600 0.153 0.000 2.103 378 M HA -0.291 4.188 4.480 -0.001 0.000 0.255 378 M C 2.217 178.642 176.300 0.208 0.000 1.074 378 M CA 1.885 57.265 55.300 0.133 0.000 1.090 378 M CB -1.307 31.319 32.600 0.043 0.000 1.325 378 M HN 0.064 nan 8.290 nan 0.000 0.403 379 K N 0.113 120.603 120.400 0.149 0.000 2.152 379 K HA -0.019 4.300 4.320 -0.001 0.000 0.206 379 K C 2.042 178.716 176.600 0.123 0.000 1.048 379 K CA 1.476 57.833 56.287 0.118 0.000 0.933 379 K CB -0.604 31.941 32.500 0.076 0.000 0.721 379 K HN 0.400 nan 8.250 nan 0.000 0.447 380 A N -0.400 122.504 122.820 0.140 0.000 1.898 380 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 380 A C 1.982 179.505 177.584 -0.102 0.000 1.181 380 A CA 1.343 53.367 52.037 -0.021 0.000 0.620 380 A CB -0.687 18.232 19.000 -0.136 0.000 0.819 380 A HN 0.285 nan 8.150 nan 0.000 0.442 381 F N -0.058 119.914 119.950 0.037 0.000 2.234 381 F HA -0.018 4.509 4.527 -0.001 0.000 0.296 381 F C 2.371 178.196 175.800 0.042 0.000 1.089 381 F CA 1.198 59.220 58.000 0.037 0.000 1.343 381 F CB -0.389 38.625 39.000 0.023 0.000 1.040 381 F HN 0.223 nan 8.300 nan 0.000 0.498 382 E N 0.384 120.718 120.200 0.223 0.000 2.049 382 E HA -0.223 4.126 4.350 -0.001 0.000 0.198 382 E C 2.006 178.678 176.600 0.119 0.000 1.007 382 E CA 1.878 58.353 56.400 0.124 0.000 0.809 382 E CB -0.351 29.405 29.700 0.094 0.000 0.749 382 E HN 0.329 nan 8.360 nan 0.000 0.450 383 S N -0.431 115.367 115.700 0.162 0.000 2.701 383 S HA 0.103 4.572 4.470 -0.001 0.000 0.220 383 S C 1.429 176.216 174.600 0.311 0.000 0.954 383 S CA 0.130 58.508 58.200 0.297 0.000 0.936 383 S CB 0.108 63.436 63.200 0.213 0.000 0.777 383 S HN 0.133 nan 8.310 nan 0.000 0.518 384 L N -0.842 120.485 121.223 0.173 0.000 2.641 384 L HA 0.402 4.741 4.340 -0.001 0.000 0.207 384 L C 2.326 179.271 176.870 0.125 0.000 1.049 384 L CA 0.210 55.120 54.840 0.115 0.000 0.866 384 L CB -0.062 41.963 42.059 -0.056 0.000 1.264 384 L HN 0.150 nan 8.230 nan 0.000 0.483 385 K N 0.455 120.917 120.400 0.103 0.000 2.217 385 K HA -0.094 4.225 4.320 -0.001 0.000 0.202 385 K C 2.092 178.703 176.600 0.017 0.000 1.051 385 K CA 1.435 57.768 56.287 0.076 0.000 0.952 385 K CB 0.067 32.627 32.500 0.100 0.000 0.736 385 K HN 0.293 nan 8.250 nan 0.000 0.453 386 S N -1.039 114.637 115.700 -0.040 0.000 2.496 386 S HA -0.012 4.457 4.470 -0.001 0.000 0.224 386 S C 1.450 175.837 174.600 -0.356 0.000 0.996 386 S CA 0.352 58.422 58.200 -0.216 0.000 0.927 386 S CB -0.238 62.768 63.200 -0.324 0.000 0.774 386 S HN 0.178 nan 8.310 nan 0.000 0.524 387 F N 1.478 121.425 119.950 -0.005 0.000 2.731 387 F HA 0.396 4.923 4.527 -0.001 0.000 0.298 387 F C 2.516 178.309 175.800 -0.012 0.000 1.106 387 F CA -0.234 57.759 58.000 -0.012 0.000 1.329 387 F CB -0.127 38.860 39.000 -0.021 0.000 1.100 387 F HN 0.265 nan 8.300 nan 0.000 0.592 388 Q N 0.328 120.204 119.800 0.127 0.000 2.062 388 Q HA -0.163 4.176 4.340 -0.001 0.000 0.196 388 Q C 1.942 177.966 176.000 0.041 0.000 0.967 388 Q CA 1.306 57.152 55.803 0.073 0.000 0.832 388 Q CB -0.046 28.726 28.738 0.056 0.000 0.899 388 Q HN 0.404 nan 8.270 nan 0.000 0.442 389 Q N -0.313 119.496 119.800 0.015 0.000 2.230 389 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 389 Q C 2.019 178.016 176.000 -0.006 0.000 0.963 389 Q CA 0.668 56.469 55.803 -0.002 0.000 0.866 389 Q CB 0.179 28.906 28.738 -0.018 0.000 0.931 389 Q HN 0.408 nan 8.270 nan 0.000 0.452 390 Q N 0.285 120.081 119.800 -0.008 0.000 2.291 390 Q HA -0.147 4.192 4.340 -0.001 0.000 0.205 390 Q C 1.891 177.911 176.000 0.034 0.000 0.970 390 Q CA 0.885 56.690 55.803 0.002 0.000 0.876 390 Q CB 0.198 28.937 28.738 0.001 0.000 0.935 390 Q HN 0.381 nan 8.270 nan 0.000 0.455 391 Q N 0.278 120.105 119.800 0.045 0.000 2.046 391 Q HA -0.161 4.178 4.340 -0.001 0.000 0.200 391 Q C 1.805 177.818 176.000 0.021 0.000 0.975 391 Q CA 1.214 57.040 55.803 0.039 0.000 0.836 391 Q CB 0.052 28.815 28.738 0.042 0.000 0.896 391 Q HN 0.427 nan 8.270 nan 0.000 0.428 392 Q N -0.464 119.345 119.800 0.015 0.000 2.297 392 Q HA -0.124 4.216 4.340 -0.001 0.000 0.204 392 Q C 1.976 177.979 176.000 0.005 0.000 0.962 392 Q CA 0.631 56.439 55.803 0.009 0.000 0.879 392 Q CB 0.250 28.992 28.738 0.007 0.000 0.947 392 Q HN 0.294 nan 8.270 nan 0.000 0.462 393 Q N 0.200 120.003 119.800 0.005 0.000 2.167 393 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 393 Q C 1.678 177.680 176.000 0.003 0.000 0.970 393 Q CA 1.258 57.061 55.803 0.001 0.000 0.855 393 Q CB 0.241 28.976 28.738 -0.004 0.000 0.911 393 Q HN 0.423 nan 8.270 nan 0.000 0.438 394 Q N 0.158 119.963 119.800 0.007 0.000 2.020 394 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 394 Q C 2.051 178.053 176.000 0.004 0.000 0.982 394 Q CA 1.582 57.389 55.803 0.007 0.000 0.838 394 Q CB -0.073 28.672 28.738 0.011 0.000 0.899 394 Q HN 0.372 nan 8.270 nan 0.000 0.423 395 Q N -0.044 119.759 119.800 0.004 0.000 2.197 395 Q HA -0.240 4.099 4.340 -0.001 0.000 0.207 395 Q C 2.058 178.059 176.000 0.001 0.000 0.984 395 Q CA 1.339 57.144 55.803 0.002 0.000 0.869 395 Q CB -0.055 28.685 28.738 0.003 0.000 0.906 395 Q HN 0.497 nan 8.270 nan 0.000 0.426 396 Q N -0.154 119.647 119.800 0.001 0.000 2.224 396 Q HA -0.171 4.168 4.340 -0.001 0.000 0.203 396 Q C 1.538 177.538 176.000 -0.001 0.000 0.970 396 Q CA 0.993 56.796 55.803 -0.001 0.000 0.865 396 Q CB 0.147 28.884 28.738 -0.001 0.000 0.922 396 Q HN 0.454 nan 8.270 nan 0.000 0.445 397 Q N -0.562 119.238 119.800 -0.001 0.000 2.378 397 Q HA 0.015 4.354 4.340 -0.001 0.000 0.216 397 Q C 1.442 177.441 176.000 -0.002 0.000 0.892 397 Q CA 0.070 55.872 55.803 -0.001 0.000 0.931 397 Q CB 0.555 29.293 28.738 -0.001 0.000 1.086 397 Q HN 0.363 nan 8.270 nan 0.000 0.528 398 Q N 0.485 120.285 119.800 -0.001 0.000 2.436 398 Q HA -0.130 4.209 4.340 -0.001 0.000 0.209 398 Q C 1.583 177.582 176.000 -0.002 0.000 0.965 398 Q CA 0.944 56.746 55.803 -0.002 0.000 0.910 398 Q CB 0.285 29.022 28.738 -0.001 0.000 0.980 398 Q HN 0.468 nan 8.270 nan 0.000 0.491 399 Q N -1.259 118.540 119.800 -0.002 0.000 2.288 399 Q HA 0.067 4.406 4.340 -0.001 0.000 0.256 399 Q C 1.596 177.594 176.000 -0.002 0.000 0.835 399 Q CA 0.000 55.802 55.803 -0.002 0.000 0.958 399 Q CB 0.180 28.917 28.738 -0.002 0.000 1.125 399 Q HN 0.192 nan 8.270 nan 0.000 0.513 400 Q N 0.842 120.641 119.800 -0.002 0.000 2.389 400 Q HA 0.101 4.441 4.340 -0.001 0.000 0.201 400 Q C 0.982 176.981 176.000 -0.003 0.000 0.956 400 Q CA 0.017 55.819 55.803 -0.003 0.000 0.871 400 Q CB 0.557 29.293 28.738 -0.003 0.000 0.990 400 Q HN 0.292 nan 8.270 nan 0.000 0.554 401 Q N 0.000 119.798 119.800 -0.003 0.000 2.315 401 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 401 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 401 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 401 Q HN 0.000 nan 8.270 nan 0.000 0.481