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 3hu1_1_D DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNRVVRNN LRVGLGDVIS IQPCPDVKYG DATA SEQUENCE KRIHVLPIDD TVEGITGNLF EVYLKPYFLE AYRPIRKGDI FLVRGGMRAV DATA SEQUENCE EFKVVETDPS PYCIVAPDTV IHCEGEPIKR EDEEESLNEV GYDDIGGCRK DATA SEQUENCE QLAQIKEMVE LPLRHPALFK AIGVKPPRGI LLYGPPGTGK TLIARAVANE DATA SEQUENCE TGAFFFLING PEIMSKLAGE SESNLRKAFE EAEKNAPAII FIDELDAIAP DATA SEQUENCE KREKTHGEVE RRIVSQLLTL MDGLKQRAHV IVMAATNRPN SIDPALRRFG DATA SEQUENCE RFDREVDIGI PDATGRLEIL QIHTKNMKLA DDVDLEQVAN ETHGHVGADL DATA SEQUENCE AALCSEAALQ AIRKKMDLID LEDETIDAEV MNSLAVTMDD FRWALSQSNP DATA SEQUENCE S 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.872 176.870 0.003 0.000 1.165 12 L CA 0.000 54.841 54.840 0.002 0.000 0.813 12 L CB 0.000 42.061 42.059 0.004 0.000 0.961 13 S N -1.250 114.453 115.700 0.006 0.000 2.439 13 S HA -0.010 4.461 4.470 0.000 0.000 0.224 13 S C 1.704 176.308 174.600 0.005 0.000 1.029 13 S CA 1.162 59.367 58.200 0.008 0.000 0.946 13 S CB -0.619 62.588 63.200 0.012 0.000 0.797 13 S HN 0.459 nan 8.310 nan 0.000 0.504 14 T N 1.597 116.152 114.554 0.001 0.000 3.155 14 T HA 0.263 4.613 4.350 0.000 0.000 0.264 14 T C 1.651 176.348 174.700 -0.005 0.000 1.160 14 T CA 0.772 62.870 62.100 -0.004 0.000 1.075 14 T CB -0.893 67.972 68.868 -0.006 0.000 0.921 14 T HN 0.574 nan 8.240 nan 0.000 0.533 15 A N 1.094 123.913 122.820 -0.002 0.000 1.986 15 A HA -0.087 4.233 4.320 0.000 0.000 0.220 15 A C 2.133 179.715 177.584 -0.003 0.000 1.171 15 A CA 1.628 53.663 52.037 -0.003 0.000 0.640 15 A CB -0.701 18.296 19.000 -0.004 0.000 0.811 15 A HN 0.733 nan 8.150 nan 0.000 0.451 16 I N -0.997 119.572 120.570 -0.001 0.000 2.394 16 I HA -0.179 3.992 4.170 0.000 0.000 0.251 16 I C 1.922 178.038 176.117 -0.002 0.000 1.136 16 I CA 1.199 62.501 61.300 0.004 0.000 1.425 16 I CB -0.033 37.976 38.000 0.015 0.000 1.079 16 I HN 0.323 nan 8.210 nan 0.000 0.425 17 L N 0.571 121.786 121.223 -0.014 0.000 2.291 17 L HA -0.052 4.289 4.340 0.000 0.000 0.214 17 L C 1.280 178.144 176.870 -0.009 0.000 1.120 17 L CA 0.370 55.196 54.840 -0.023 0.000 0.799 17 L CB -0.540 41.497 42.059 -0.037 0.000 0.925 17 L HN 0.107 nan 8.230 nan 0.000 0.446 18 K N 0.504 120.902 120.400 -0.004 0.000 2.489 18 K HA -0.091 4.229 4.320 0.000 0.000 0.278 18 K C 1.000 177.603 176.600 0.005 0.000 1.000 18 K CA -0.075 56.212 56.287 0.000 0.000 1.012 18 K CB 0.922 33.421 32.500 -0.001 0.000 0.903 18 K HN 0.070 nan 8.250 nan 0.000 0.485 19 Q N 2.827 122.631 119.800 0.008 0.000 2.119 19 Q HA -0.056 4.284 4.340 0.000 0.000 0.201 19 Q C -0.588 175.419 176.000 0.011 0.000 0.972 19 Q CA 0.874 56.685 55.803 0.013 0.000 0.847 19 Q CB -0.133 28.613 28.738 0.013 0.000 0.903 19 Q HN 0.530 nan 8.270 nan 0.000 0.433 20 K N 0.749 121.153 120.400 0.006 0.000 7.179 20 K HA -0.101 4.219 4.320 0.000 0.000 0.702 20 K C -1.418 175.184 176.600 0.005 0.000 2.556 20 K CA 0.421 56.711 56.287 0.004 0.000 1.884 20 K CB -0.559 31.943 32.500 0.003 0.000 2.172 20 K HN 0.251 nan 8.250 nan 0.000 0.261 21 N N 4.039 122.741 118.700 0.002 0.000 2.458 21 N HA 0.242 4.983 4.740 0.000 0.000 0.270 21 N C -0.381 175.130 175.510 0.001 0.000 1.102 21 N CA -0.200 52.851 53.050 0.002 0.000 0.967 21 N CB 0.666 39.154 38.487 0.001 0.000 1.078 21 N HN 0.272 nan 8.380 nan 0.000 0.471 22 R N 2.079 122.580 120.500 0.002 0.000 2.795 22 R HA 0.380 4.720 4.340 0.000 0.000 0.275 22 R C -1.570 174.729 176.300 -0.001 0.000 0.981 22 R CA -1.507 54.593 56.100 0.000 0.000 0.917 22 R CB 1.041 31.343 30.300 0.002 0.000 1.202 22 R HN 0.254 nan 8.270 nan 0.000 0.469 23 P HA -0.216 nan 4.420 nan 0.000 0.218 23 P C 0.618 177.915 177.300 -0.006 0.000 1.154 23 P CA 1.611 64.708 63.100 -0.005 0.000 0.872 23 P CB 0.140 31.835 31.700 -0.007 0.000 0.790 24 N N -1.202 117.495 118.700 -0.006 0.000 2.280 24 N HA -0.033 4.707 4.740 0.000 0.000 0.192 24 N C 0.519 176.027 175.510 -0.004 0.000 1.109 24 N CA -0.046 52.999 53.050 -0.008 0.000 0.855 24 N CB -0.050 38.430 38.487 -0.012 0.000 0.974 24 N HN 0.076 nan 8.380 nan 0.000 0.482 25 R N 1.019 121.518 120.500 -0.000 0.000 2.235 25 R HA 0.407 4.748 4.340 0.000 0.000 0.338 25 R C -0.812 175.489 176.300 0.002 0.000 1.087 25 R CA -0.228 55.873 56.100 0.003 0.000 0.948 25 R CB 0.462 30.765 30.300 0.006 0.000 1.099 25 R HN 0.152 nan 8.270 nan 0.000 0.483 26 L N 4.770 125.994 121.223 0.002 0.000 2.354 26 L HA 0.539 4.879 4.340 0.000 0.000 0.269 26 L C -0.172 176.700 176.870 0.003 0.000 1.005 26 L CA -1.010 53.831 54.840 0.002 0.000 0.819 26 L CB 2.164 44.223 42.059 -0.000 0.000 1.311 26 L HN 0.431 nan 8.230 nan 0.000 0.423 27 I N 2.237 122.809 120.570 0.004 0.000 2.474 27 I HA 0.160 4.330 4.170 0.000 0.000 0.287 27 I C 0.166 176.286 176.117 0.005 0.000 1.048 27 I CA -0.722 60.581 61.300 0.005 0.000 1.383 27 I CB 1.367 39.370 38.000 0.005 0.000 1.412 27 I HN 0.300 nan 8.210 nan 0.000 0.531 28 V N 2.101 122.018 119.914 0.005 0.000 2.488 28 V HA 0.416 4.536 4.120 0.000 0.000 0.277 28 V C -0.395 175.702 176.094 0.006 0.000 1.046 28 V CA -0.278 62.026 62.300 0.006 0.000 0.986 28 V CB 1.103 32.930 31.823 0.007 0.000 0.989 28 V HN 0.626 nan 8.190 nan 0.000 0.475 29 D N 2.513 122.917 120.400 0.006 0.000 2.350 29 D HA 0.382 5.022 4.640 0.000 0.000 0.238 29 D C -0.373 175.932 176.300 0.008 0.000 0.989 29 D CA -0.586 53.418 54.000 0.006 0.000 0.921 29 D CB 2.303 43.106 40.800 0.006 0.000 1.297 29 D HN 0.881 nan 8.370 nan 0.000 0.490 30 E N 0.314 120.519 120.200 0.008 0.000 2.392 30 E HA 0.415 4.765 4.350 0.000 0.000 0.264 30 E C -0.990 175.616 176.600 0.010 0.000 1.024 30 E CA -0.346 56.060 56.400 0.009 0.000 0.903 30 E CB 0.750 30.456 29.700 0.009 0.000 0.963 30 E HN 0.357 nan 8.360 nan 0.000 0.432 31 A N 4.359 127.187 122.820 0.012 0.000 2.371 31 A HA 0.345 4.665 4.320 0.000 0.000 0.257 31 A C 1.091 178.682 177.584 0.012 0.000 1.089 31 A CA 0.030 52.074 52.037 0.012 0.000 0.794 31 A CB -0.046 18.964 19.000 0.015 0.000 1.029 31 A HN 0.813 nan 8.150 nan 0.000 0.488 32 I N -0.062 120.514 120.570 0.010 0.000 2.585 32 I HA 0.110 4.281 4.170 0.000 0.000 0.254 32 I C 0.725 176.848 176.117 0.011 0.000 1.129 32 I CA 0.338 61.644 61.300 0.010 0.000 1.455 32 I CB -0.116 37.888 38.000 0.008 0.000 1.111 32 I HN 0.480 nan 8.210 nan 0.000 0.433 33 N N 2.620 121.326 118.700 0.011 0.000 2.415 33 N HA 0.059 4.799 4.740 0.000 0.000 0.246 33 N C -0.208 175.312 175.510 0.016 0.000 1.078 33 N CA 0.271 53.328 53.050 0.011 0.000 0.942 33 N CB 0.857 39.349 38.487 0.008 0.000 1.140 33 N HN 0.318 nan 8.380 nan 0.000 0.501 34 E N 1.275 121.487 120.200 0.020 0.000 2.368 34 E HA 0.031 4.381 4.350 0.000 0.000 0.188 34 E C -0.838 175.787 176.600 0.041 0.000 1.061 34 E CA -0.230 56.188 56.400 0.030 0.000 0.933 34 E CB 0.106 29.824 29.700 0.030 0.000 1.091 34 E HN 0.524 nan 8.360 nan 0.000 0.458 35 D N -0.354 120.065 120.400 0.030 0.000 2.345 35 D HA 0.040 4.680 4.640 0.000 0.000 0.247 35 D C 0.839 177.167 176.300 0.047 0.000 1.108 35 D CA -0.066 53.953 54.000 0.031 0.000 0.894 35 D CB 0.848 41.643 40.800 -0.008 0.000 1.203 35 D HN -0.097 nan 8.370 nan 0.000 0.430 36 N N 1.084 119.836 118.700 0.088 0.000 2.364 36 N HA -0.098 4.642 4.740 0.000 0.000 0.183 36 N C 0.895 176.437 175.510 0.054 0.000 1.022 36 N CA 0.559 53.676 53.050 0.113 0.000 0.883 36 N CB 0.093 38.721 38.487 0.235 0.000 0.965 36 N HN 0.199 nan 8.380 nan 0.000 0.438 37 S N -0.386 115.314 115.700 0.000 0.000 2.556 37 S HA 0.153 4.623 4.470 0.000 0.000 0.216 37 S C 0.410 175.003 174.600 -0.011 0.000 0.970 37 S CA -0.300 57.889 58.200 -0.019 0.000 0.912 37 S CB 0.695 63.858 63.200 -0.062 0.000 0.790 37 S HN 0.035 nan 8.310 nan 0.000 0.504 38 V N 2.723 122.636 119.914 -0.002 0.000 2.495 38 V HA 0.692 4.812 4.120 0.000 0.000 0.298 38 V C -0.905 175.191 176.094 0.004 0.000 1.031 38 V CA -0.647 61.652 62.300 -0.002 0.000 0.871 38 V CB 1.751 33.573 31.823 -0.002 0.000 0.988 38 V HN 0.150 nan 8.190 nan 0.000 0.432 39 V N 3.456 123.370 119.914 -0.000 0.000 2.735 39 V HA 0.805 4.925 4.120 0.000 0.000 0.310 39 V C -0.264 175.831 176.094 0.001 0.000 1.061 39 V CA -0.456 61.845 62.300 0.001 0.000 0.913 39 V CB 1.869 33.690 31.823 -0.004 0.000 1.005 39 V HN 0.774 nan 8.190 nan 0.000 0.428 40 S N 4.762 120.464 115.700 0.003 0.000 2.472 40 S HA 0.863 5.334 4.470 0.000 0.000 0.303 40 S C -0.551 174.051 174.600 0.004 0.000 1.099 40 S CA -0.602 57.600 58.200 0.005 0.000 1.077 40 S CB 1.233 64.437 63.200 0.006 0.000 1.031 40 S HN 0.715 nan 8.310 nan 0.000 0.487 41 L N 1.862 123.088 121.223 0.005 0.000 2.371 41 L HA 0.544 4.884 4.340 0.000 0.000 0.262 41 L C 0.344 177.218 176.870 0.008 0.000 1.006 41 L CA -0.933 53.910 54.840 0.005 0.000 0.818 41 L CB 2.274 44.335 42.059 0.003 0.000 1.354 41 L HN 0.759 nan 8.230 nan 0.000 0.415 42 S N 0.137 115.842 115.700 0.007 0.000 2.568 42 S HA -0.000 4.470 4.470 0.000 0.000 0.282 42 S C 0.633 175.240 174.600 0.012 0.000 1.338 42 S CA -0.243 57.962 58.200 0.009 0.000 1.045 42 S CB 1.526 64.730 63.200 0.007 0.000 0.873 42 S HN 0.694 nan 8.310 nan 0.000 0.516 43 Q N 2.482 122.291 119.800 0.014 0.000 2.096 43 Q HA 0.014 4.354 4.340 0.000 0.000 0.204 43 Q C -0.947 175.064 176.000 0.020 0.000 0.982 43 Q CA 2.047 57.861 55.803 0.019 0.000 0.850 43 Q CB -1.688 27.061 28.738 0.018 0.000 0.901 43 Q HN 0.705 nan 8.270 nan 0.000 0.422 44 P HA -0.132 nan 4.420 nan 0.000 0.216 44 P C 0.687 177.995 177.300 0.012 0.000 1.150 44 P CA 1.498 64.606 63.100 0.014 0.000 0.837 44 P CB -0.002 31.704 31.700 0.010 0.000 0.786 45 K N -0.575 119.830 120.400 0.009 0.000 2.155 45 K HA 0.017 4.337 4.320 0.000 0.000 0.203 45 K C 2.008 178.611 176.600 0.004 0.000 1.052 45 K CA 1.352 57.642 56.287 0.005 0.000 0.948 45 K CB -0.854 31.648 32.500 0.002 0.000 0.728 45 K HN 0.044 nan 8.250 nan 0.000 0.448 46 M N 0.418 120.025 119.600 0.012 0.000 2.175 46 M HA -0.139 4.342 4.480 0.000 0.000 0.264 46 M C 1.042 177.354 176.300 0.021 0.000 1.063 46 M CA 1.481 56.791 55.300 0.016 0.000 1.119 46 M CB -0.178 32.442 32.600 0.034 0.000 1.377 46 M HN 0.092 nan 8.290 nan 0.000 0.415 47 D N 0.061 120.481 120.400 0.033 0.000 2.183 47 D HA -0.142 4.498 4.640 0.000 0.000 0.203 47 D C 1.785 178.095 176.300 0.018 0.000 0.969 47 D CA 0.994 55.019 54.000 0.042 0.000 0.842 47 D CB -0.236 40.591 40.800 0.046 0.000 0.957 47 D HN 0.466 nan 8.370 nan 0.000 0.484 48 E N 0.302 120.506 120.200 0.007 0.000 2.106 48 E HA -0.073 4.277 4.350 0.000 0.000 0.192 48 E C 1.632 178.223 176.600 -0.015 0.000 0.984 48 E CA 0.455 56.853 56.400 -0.002 0.000 0.806 48 E CB 0.155 29.854 29.700 -0.001 0.000 0.750 48 E HN 0.246 nan 8.360 nan 0.000 0.458 49 L N 0.416 121.624 121.223 -0.026 0.000 2.628 49 L HA 0.129 4.469 4.340 0.000 0.000 0.229 49 L C 0.023 176.844 176.870 -0.082 0.000 1.137 49 L CA -0.036 54.777 54.840 -0.045 0.000 0.909 49 L CB 0.137 42.171 42.059 -0.042 0.000 1.137 49 L HN 0.027 nan 8.230 nan 0.000 0.470 50 Q N 1.014 120.763 119.800 -0.085 0.000 2.443 50 Q HA -0.181 4.159 4.340 0.000 0.000 0.337 50 Q C -0.685 175.127 176.000 -0.312 0.000 1.401 50 Q CA 0.574 56.276 55.803 -0.168 0.000 0.943 50 Q CB -1.361 27.273 28.738 -0.173 0.000 1.177 50 Q HN 0.460 nan 8.270 nan 0.000 0.394 51 L N 1.323 122.431 121.223 -0.191 0.000 2.294 51 L HA 0.486 4.826 4.340 0.000 0.000 0.283 51 L C 0.237 177.092 176.870 -0.024 0.000 1.015 51 L CA -0.529 54.206 54.840 -0.175 0.000 0.831 51 L CB 0.607 42.620 42.059 -0.078 0.000 1.217 51 L HN 0.158 nan 8.230 nan 0.000 0.420 52 F N 1.757 121.699 119.950 -0.013 0.000 2.440 52 F HA 0.304 4.831 4.527 0.000 0.000 0.323 52 F C 1.181 176.972 175.800 -0.015 0.000 1.192 52 F CA -0.885 57.107 58.000 -0.013 0.000 1.252 52 F CB 0.533 39.525 39.000 -0.014 0.000 1.214 52 F HN 0.430 nan 8.300 nan 0.000 0.578 53 R N 0.660 121.279 120.500 0.199 0.000 2.537 53 R HA 0.200 4.540 4.340 0.000 0.000 0.280 53 R C 0.810 177.157 176.300 0.078 0.000 1.058 53 R CA 0.968 57.125 56.100 0.095 0.000 1.057 53 R CB 0.150 30.484 30.300 0.056 0.000 0.973 53 R HN 0.954 nan 8.270 nan 0.000 0.438 54 G N 3.068 111.895 108.800 0.046 0.000 2.160 54 G HA2 -0.235 3.725 3.960 0.000 0.000 0.251 54 G HA3 -0.235 3.725 3.960 0.000 0.000 0.251 54 G C -0.530 174.385 174.900 0.024 0.000 1.008 54 G CA 0.229 45.346 45.100 0.028 0.000 0.724 54 G HN 0.648 nan 8.290 nan 0.000 0.514 55 D N 1.129 121.545 120.400 0.028 0.000 2.302 55 D HA 0.471 5.112 4.640 0.000 0.000 0.248 55 D C 1.223 177.508 176.300 -0.025 0.000 1.094 55 D CA 0.743 54.744 54.000 0.003 0.000 0.897 55 D CB 0.996 41.788 40.800 -0.013 0.000 1.200 55 D HN 0.377 nan 8.370 nan 0.000 0.429 56 T N -1.226 113.303 114.554 -0.042 0.000 2.870 56 T HA 0.426 4.776 4.350 0.000 0.000 0.300 56 T C 0.414 175.067 174.700 -0.078 0.000 0.989 56 T CA -0.792 61.271 62.100 -0.061 0.000 1.139 56 T CB 0.375 69.200 68.868 -0.072 0.000 0.920 56 T HN 0.197 nan 8.240 nan 0.000 0.537 57 V N 1.206 121.068 119.914 -0.087 0.000 2.914 57 V HA 0.826 4.946 4.120 0.000 0.000 0.314 57 V C -0.726 175.288 176.094 -0.134 0.000 1.084 57 V CA -1.492 60.750 62.300 -0.096 0.000 0.963 57 V CB 1.702 33.485 31.823 -0.067 0.000 1.025 57 V HN 0.858 nan 8.190 nan 0.000 0.432 58 L N 3.890 125.030 121.223 -0.139 0.000 2.287 58 L HA 0.685 5.025 4.340 0.000 0.000 0.287 58 L C -0.793 176.020 176.870 -0.096 0.000 1.022 58 L CA -0.226 54.516 54.840 -0.164 0.000 0.814 58 L CB 0.994 42.932 42.059 -0.201 0.000 1.217 58 L HN 0.744 nan 8.230 nan 0.000 0.420 59 L N 5.277 126.452 121.223 -0.080 0.000 2.307 59 L HA 0.545 4.885 4.340 0.000 0.000 0.284 59 L C -0.235 176.618 176.870 -0.028 0.000 1.023 59 L CA -0.663 54.152 54.840 -0.043 0.000 0.810 59 L CB 1.356 43.397 42.059 -0.030 0.000 1.231 59 L HN 0.546 nan 8.230 nan 0.000 0.423 60 K N 1.636 122.028 120.400 -0.013 0.000 2.274 60 K HA 0.584 4.904 4.320 0.000 0.000 0.262 60 K C 0.191 176.794 176.600 0.006 0.000 0.961 60 K CA -0.387 55.900 56.287 0.000 0.000 0.833 60 K CB 2.202 34.707 32.500 0.008 0.000 1.102 60 K HN 0.732 nan 8.250 nan 0.000 0.436 61 G N 2.196 111.001 108.800 0.008 0.000 3.019 61 G HA2 0.309 4.269 3.960 0.000 0.000 0.152 61 G HA3 0.309 4.269 3.960 0.000 0.000 0.152 61 G C -0.683 174.222 174.900 0.009 0.000 1.320 61 G CA -0.453 44.652 45.100 0.008 0.000 1.013 61 G HN 0.386 nan 8.290 nan 0.000 0.593 62 K N -0.163 120.238 120.400 0.002 0.000 2.090 62 K HA 0.405 4.725 4.320 0.000 0.000 0.249 62 K C -0.362 176.222 176.600 -0.026 0.000 0.995 62 K CA -0.448 55.836 56.287 -0.005 0.000 0.914 62 K CB 1.082 33.577 32.500 -0.008 0.000 1.057 62 K HN 0.366 nan 8.250 nan 0.000 0.462 63 K N 1.173 121.540 120.400 -0.055 0.000 3.077 63 K HA -0.277 4.043 4.320 0.000 0.000 0.264 63 K C -0.195 176.368 176.600 -0.063 0.000 1.008 63 K CA 0.941 57.170 56.287 -0.097 0.000 0.740 63 K CB -1.148 31.284 32.500 -0.114 0.000 1.273 63 K HN 0.776 nan 8.250 nan 0.000 0.477 64 R N -1.116 119.366 120.500 -0.031 0.000 3.951 64 R HA -0.210 4.131 4.340 0.000 0.000 0.352 64 R C -0.793 175.511 176.300 0.007 0.000 1.178 64 R CA 1.454 57.550 56.100 -0.006 0.000 0.949 64 R CB -0.664 29.629 30.300 -0.013 0.000 1.452 64 R HN 0.310 nan 8.270 nan 0.000 0.540 65 R N 1.183 121.684 120.500 0.002 0.000 2.490 65 R HA 0.360 4.701 4.340 0.000 0.000 0.278 65 R C -0.185 176.127 176.300 0.020 0.000 1.069 65 R CA -0.085 56.022 56.100 0.013 0.000 1.080 65 R CB 0.962 31.266 30.300 0.006 0.000 1.030 65 R HN 0.387 nan 8.270 nan 0.000 0.491 66 E N -0.154 120.064 120.200 0.030 0.000 2.393 66 E HA 0.692 5.042 4.350 0.000 0.000 0.273 66 E C -1.365 175.248 176.600 0.021 0.000 0.918 66 E CA -0.894 55.518 56.400 0.021 0.000 0.773 66 E CB 2.576 32.296 29.700 0.034 0.000 1.275 66 E HN 0.643 nan 8.360 nan 0.000 0.451 67 A N 0.924 123.738 122.820 -0.010 0.000 2.520 67 A HA 0.572 4.892 4.320 0.000 0.000 0.298 67 A C -1.078 176.465 177.584 -0.069 0.000 1.051 67 A CA -0.767 51.264 52.037 -0.011 0.000 0.690 67 A CB 1.248 20.255 19.000 0.012 0.000 1.281 67 A HN 0.347 nan 8.150 nan 0.000 0.402 68 V N -0.707 119.161 119.914 -0.077 0.000 2.370 68 V HA 0.691 4.812 4.120 0.000 0.000 0.279 68 V C 0.034 176.092 176.094 -0.062 0.000 1.029 68 V CA -0.739 61.486 62.300 -0.124 0.000 0.870 68 V CB -0.077 31.630 31.823 -0.192 0.000 0.984 68 V HN 0.922 nan 8.190 nan 0.000 0.451 69 C N 4.469 123.731 119.300 -0.063 0.000 2.822 69 C HA 0.725 5.186 4.460 0.000 0.000 0.341 69 C C -0.024 174.943 174.990 -0.038 0.000 1.301 69 C CA -0.695 58.301 59.018 -0.037 0.000 1.706 69 C CB 1.916 29.641 27.740 -0.025 0.000 2.178 69 C HN 0.980 nan 8.230 nan 0.000 0.481 70 I N 1.177 121.733 120.570 -0.023 0.000 2.404 70 I HA 0.496 4.666 4.170 0.000 0.000 0.293 70 I C -0.439 175.671 176.117 -0.011 0.000 0.992 70 I CA -0.128 61.161 61.300 -0.017 0.000 1.149 70 I CB 1.181 39.176 38.000 -0.008 0.000 1.315 70 I HN 0.417 nan 8.210 nan 0.000 0.446 71 V N 8.441 128.350 119.914 -0.008 0.000 2.465 71 V HA 0.533 4.653 4.120 0.000 0.000 0.279 71 V C -0.493 175.606 176.094 0.010 0.000 1.045 71 V CA -0.224 62.075 62.300 -0.002 0.000 0.938 71 V CB 1.288 33.105 31.823 -0.009 0.000 0.986 71 V HN 0.560 nan 8.190 nan 0.000 0.467 72 L N 5.314 126.543 121.223 0.010 0.000 2.371 72 L HA 0.617 4.957 4.340 0.000 0.000 0.262 72 L C -0.060 176.819 176.870 0.014 0.000 1.006 72 L CA -0.753 54.096 54.840 0.014 0.000 0.818 72 L CB 2.646 44.710 42.059 0.010 0.000 1.354 72 L HN 0.688 nan 8.230 nan 0.000 0.415 73 S N -0.626 115.084 115.700 0.017 0.000 2.489 73 S HA 0.462 4.932 4.470 0.000 0.000 0.277 73 S C -0.832 173.775 174.600 0.011 0.000 1.230 73 S CA -0.666 57.544 58.200 0.016 0.000 1.053 73 S CB 1.532 64.744 63.200 0.019 0.000 0.955 73 S HN 0.559 nan 8.310 nan 0.000 0.488 74 D N 0.701 121.107 120.400 0.010 0.000 2.619 74 D HA 0.419 5.059 4.640 0.000 0.000 0.241 74 D C -0.444 175.861 176.300 0.007 0.000 1.087 74 D CA -0.641 53.363 54.000 0.008 0.000 0.851 74 D CB 2.162 42.966 40.800 0.007 0.000 1.474 74 D HN 0.458 nan 8.370 nan 0.000 0.478 75 D N 0.339 120.743 120.400 0.006 0.000 2.324 75 D HA -0.019 4.621 4.640 0.000 0.000 0.212 75 D C 1.566 177.869 176.300 0.005 0.000 0.984 75 D CA 0.526 54.529 54.000 0.006 0.000 0.885 75 D CB 0.211 41.014 40.800 0.005 0.000 0.996 75 D HN 0.382 nan 8.370 nan 0.000 0.505 76 T N -0.497 114.060 114.554 0.005 0.000 3.007 76 T HA -0.083 4.267 4.350 0.000 0.000 0.270 76 T C 0.771 175.474 174.700 0.005 0.000 1.107 76 T CA 0.298 62.400 62.100 0.005 0.000 1.118 76 T CB -0.503 68.368 68.868 0.005 0.000 0.889 76 T HN 0.188 nan 8.240 nan 0.000 0.506 77 C N 2.746 122.049 119.300 0.005 0.000 2.593 77 C HA 0.598 5.058 4.460 0.000 0.000 0.409 77 C C 0.935 175.928 174.990 0.005 0.000 1.304 77 C CA -0.859 58.162 59.018 0.005 0.000 2.007 77 C CB -0.434 27.310 27.740 0.005 0.000 2.614 77 C HN 0.509 nan 8.230 nan 0.000 0.585 78 S N 4.162 119.864 115.700 0.004 0.000 2.600 78 S HA 0.064 4.534 4.470 0.000 0.000 0.265 78 S C 0.869 175.472 174.600 0.004 0.000 1.325 78 S CA -0.361 57.841 58.200 0.004 0.000 1.002 78 S CB 0.763 63.965 63.200 0.004 0.000 0.921 78 S HN 0.859 nan 8.310 nan 0.000 0.554 79 D N 1.650 122.052 120.400 0.004 0.000 2.103 79 D HA -0.131 4.509 4.640 0.000 0.000 0.190 79 D C 1.335 177.636 176.300 0.003 0.000 0.997 79 D CA 1.502 55.505 54.000 0.004 0.000 0.833 79 D CB -0.150 40.652 40.800 0.004 0.000 0.961 79 D HN 0.677 nan 8.370 nan 0.000 0.447 80 E N 0.010 120.212 120.200 0.003 0.000 2.368 80 E HA 0.206 4.556 4.350 0.000 0.000 0.188 80 E C -0.197 176.405 176.600 0.002 0.000 1.061 80 E CA -0.002 56.399 56.400 0.002 0.000 0.933 80 E CB -0.158 29.543 29.700 0.002 0.000 1.091 80 E HN 0.075 nan 8.360 nan 0.000 0.458 81 K N 0.426 120.827 120.400 0.003 0.000 2.267 81 K HA 0.604 4.924 4.320 0.000 0.000 0.246 81 K C -1.053 175.549 176.600 0.003 0.000 0.954 81 K CA -1.025 55.263 56.287 0.003 0.000 0.824 81 K CB 2.245 34.747 32.500 0.004 0.000 1.167 81 K HN 0.105 nan 8.250 nan 0.000 0.431 82 I N 1.465 122.036 120.570 0.003 0.000 2.498 82 I HA 0.346 4.516 4.170 0.000 0.000 0.290 82 I C -1.043 175.077 176.117 0.004 0.000 1.032 82 I CA -0.742 60.559 61.300 0.002 0.000 1.073 82 I CB 1.206 39.206 38.000 0.000 0.000 1.251 82 I HN 0.471 nan 8.210 nan 0.000 0.426 83 R N 8.756 129.259 120.500 0.005 0.000 2.294 83 R HA 0.712 5.052 4.340 0.000 0.000 0.319 83 R C -0.986 175.320 176.300 0.009 0.000 0.984 83 R CA -0.602 55.502 56.100 0.007 0.000 0.861 83 R CB 1.621 31.925 30.300 0.007 0.000 1.104 83 R HN 0.681 nan 8.270 nan 0.000 0.451 84 M N 0.297 119.904 119.600 0.011 0.000 2.414 84 M HA 0.348 4.828 4.480 0.000 0.000 0.287 84 M C -1.059 175.253 176.300 0.020 0.000 1.181 84 M CA -1.306 54.003 55.300 0.015 0.000 0.933 84 M CB 1.910 34.519 32.600 0.014 0.000 1.732 84 M HN 0.384 nan 8.290 nan 0.000 0.486 85 N N 1.707 120.423 118.700 0.027 0.000 2.290 85 N HA 0.325 5.065 4.740 0.000 0.000 0.269 85 N C 0.232 175.761 175.510 0.032 0.000 1.295 85 N CA -0.242 52.826 53.050 0.030 0.000 0.932 85 N CB 0.445 38.955 38.487 0.039 0.000 1.128 85 N HN 0.844 nan 8.380 nan 0.000 0.532 86 R N -1.084 119.435 120.500 0.032 0.000 2.096 86 R HA -0.032 4.308 4.340 0.000 0.000 0.235 86 R C 1.783 178.106 176.300 0.039 0.000 1.127 86 R CA 1.036 57.153 56.100 0.029 0.000 0.968 86 R CB -0.603 29.710 30.300 0.022 0.000 0.861 86 R HN 0.386 nan 8.270 nan 0.000 0.440 87 V N 0.454 120.402 119.914 0.056 0.000 2.287 87 V HA -0.245 3.875 4.120 0.000 0.000 0.248 87 V C 2.339 178.480 176.094 0.079 0.000 1.053 87 V CA 1.786 64.135 62.300 0.081 0.000 1.027 87 V CB -0.320 31.576 31.823 0.122 0.000 0.646 87 V HN 0.129 nan 8.190 nan 0.000 0.447 88 V N -0.464 119.489 119.914 0.066 0.000 2.358 88 V HA -0.226 3.894 4.120 0.000 0.000 0.246 88 V C 2.519 178.635 176.094 0.038 0.000 1.047 88 V CA 1.946 64.278 62.300 0.052 0.000 1.035 88 V CB -0.833 31.013 31.823 0.039 0.000 0.658 88 V HN 0.420 nan 8.190 nan 0.000 0.452 89 R N 0.139 120.657 120.500 0.031 0.000 2.091 89 R HA -0.195 4.145 4.340 0.000 0.000 0.238 89 R C 2.256 178.568 176.300 0.021 0.000 1.136 89 R CA 2.018 58.131 56.100 0.022 0.000 0.959 89 R CB -0.417 29.894 30.300 0.017 0.000 0.856 89 R HN 0.563 nan 8.270 nan 0.000 0.437 90 N N 0.225 118.941 118.700 0.027 0.000 2.120 90 N HA -0.130 4.610 4.740 0.000 0.000 0.188 90 N C 1.176 176.703 175.510 0.028 0.000 1.024 90 N CA 1.534 54.598 53.050 0.023 0.000 0.852 90 N CB -0.075 38.428 38.487 0.027 0.000 1.003 90 N HN 0.274 nan 8.380 nan 0.000 0.424 91 N N -0.383 118.343 118.700 0.044 0.000 2.309 91 N HA -0.030 4.710 4.740 0.000 0.000 0.182 91 N C 0.779 176.309 175.510 0.034 0.000 1.018 91 N CA 0.552 53.633 53.050 0.051 0.000 0.876 91 N CB 0.076 38.608 38.487 0.075 0.000 0.972 91 N HN 0.209 nan 8.380 nan 0.000 0.434 92 L N 0.438 121.676 121.223 0.025 0.000 2.592 92 L HA 0.227 4.567 4.340 0.000 0.000 0.227 92 L C 0.047 176.920 176.870 0.006 0.000 1.127 92 L CA -0.144 54.705 54.840 0.014 0.000 0.884 92 L CB 0.133 42.199 42.059 0.012 0.000 1.065 92 L HN 0.069 nan 8.230 nan 0.000 0.457 93 R N 0.333 120.836 120.500 0.005 0.000 3.333 93 R HA -0.136 4.204 4.340 0.000 0.000 0.256 93 R C -0.542 175.755 176.300 -0.005 0.000 1.010 93 R CA 0.751 56.847 56.100 -0.005 0.000 0.680 93 R CB -2.617 27.673 30.300 -0.017 0.000 1.102 93 R HN 0.312 nan 8.270 nan 0.000 0.440 94 V N -3.306 116.609 119.914 0.001 0.000 2.769 94 V HA 0.984 5.104 4.120 0.000 0.000 0.312 94 V C 0.749 176.845 176.094 0.003 0.000 1.061 94 V CA -0.324 61.977 62.300 0.003 0.000 0.931 94 V CB 2.538 34.364 31.823 0.006 0.000 1.010 94 V HN 0.241 nan 8.190 nan 0.000 0.433 95 G N 2.253 111.054 108.800 0.002 0.000 2.471 95 G HA2 0.629 4.589 3.960 0.000 0.000 0.332 95 G HA3 0.629 4.589 3.960 0.000 0.000 0.332 95 G C -0.742 174.161 174.900 0.005 0.000 1.176 95 G CA -1.235 43.867 45.100 0.003 0.000 0.949 95 G HN 0.883 nan 8.290 nan 0.000 0.488 96 L N 1.050 122.276 121.223 0.005 0.000 2.601 96 L HA 0.302 4.642 4.340 0.000 0.000 0.277 96 L C 1.633 178.506 176.870 0.005 0.000 1.219 96 L CA 2.095 56.938 54.840 0.005 0.000 0.915 96 L CB 0.303 42.365 42.059 0.005 0.000 1.160 96 L HN 1.122 nan 8.230 nan 0.000 0.494 97 G N 1.006 109.809 108.800 0.005 0.000 2.232 97 G HA2 -0.219 3.741 3.960 0.000 0.000 0.226 97 G HA3 -0.219 3.741 3.960 0.000 0.000 0.226 97 G C 0.110 175.014 174.900 0.006 0.000 0.996 97 G CA -0.205 44.898 45.100 0.005 0.000 0.626 97 G HN 0.567 nan 8.290 nan 0.000 0.509 98 D N 0.976 121.380 120.400 0.007 0.000 2.372 98 D HA 0.458 5.098 4.640 0.000 0.000 0.243 98 D C 1.096 177.402 176.300 0.009 0.000 1.121 98 D CA 0.490 54.495 54.000 0.009 0.000 0.898 98 D CB 1.759 42.564 40.800 0.009 0.000 1.202 98 D HN 0.879 nan 8.370 nan 0.000 0.428 99 V N -0.371 119.550 119.914 0.011 0.000 2.607 99 V HA 0.655 4.775 4.120 0.000 0.000 0.289 99 V C 0.133 176.233 176.094 0.011 0.000 1.053 99 V CA -0.692 61.614 62.300 0.011 0.000 0.996 99 V CB 0.757 32.587 31.823 0.012 0.000 0.995 99 V HN 0.439 nan 8.190 nan 0.000 0.476 100 I N 1.060 121.635 120.570 0.008 0.000 2.934 100 I HA 0.793 4.963 4.170 0.000 0.000 0.306 100 I C -0.077 176.042 176.117 0.004 0.000 1.110 100 I CA -0.710 60.594 61.300 0.007 0.000 1.019 100 I CB 2.085 40.087 38.000 0.003 0.000 1.227 100 I HN 0.489 nan 8.210 nan 0.000 0.434 101 S N 3.673 119.375 115.700 0.003 0.000 2.562 101 S HA 0.649 5.119 4.470 0.000 0.000 0.275 101 S C -0.433 174.161 174.600 -0.010 0.000 1.281 101 S CA -0.392 57.808 58.200 -0.000 0.000 1.045 101 S CB 0.781 63.984 63.200 0.004 0.000 0.962 101 S HN 0.633 nan 8.310 nan 0.000 0.503 102 I N 2.760 123.321 120.570 -0.015 0.000 2.406 102 I HA 0.422 4.592 4.170 0.000 0.000 0.290 102 I C -0.729 175.369 176.117 -0.031 0.000 0.999 102 I CA -0.382 60.903 61.300 -0.026 0.000 1.124 102 I CB 1.406 39.391 38.000 -0.024 0.000 1.289 102 I HN 0.539 nan 8.210 nan 0.000 0.441 103 Q N 8.456 128.230 119.800 -0.044 0.000 2.356 103 Q HA 0.549 4.889 4.340 0.000 0.000 0.270 103 Q C -2.568 173.395 176.000 -0.063 0.000 1.058 103 Q CA -2.110 53.665 55.803 -0.046 0.000 0.802 103 Q CB 2.562 31.275 28.738 -0.042 0.000 1.303 103 Q HN 0.335 nan 8.270 nan 0.000 0.444 104 P HA -0.009 nan 4.420 nan 0.000 0.268 104 P C -0.721 176.537 177.300 -0.070 0.000 1.205 104 P CA -0.028 63.025 63.100 -0.078 0.000 0.771 104 P CB 0.699 32.346 31.700 -0.088 0.000 0.858 105 C N 5.732 124.985 119.300 -0.077 0.000 3.495 105 C HA 0.322 4.782 4.460 0.000 0.000 0.201 105 C C -1.726 173.234 174.990 -0.051 0.000 1.408 105 C CA -1.460 57.515 59.018 -0.073 0.000 1.367 105 C CB -0.430 27.229 27.740 -0.135 0.000 1.845 105 C HN 0.441 nan 8.230 nan 0.000 0.500 106 P HA 0.120 nan 4.420 nan 0.000 0.255 106 P C 0.926 178.222 177.300 -0.006 0.000 1.248 106 P CA 0.781 63.864 63.100 -0.028 0.000 0.807 106 P CB 0.135 31.817 31.700 -0.030 0.000 1.150 107 D N -0.163 120.249 120.400 0.021 0.000 2.269 107 D HA -0.030 4.610 4.640 0.000 0.000 0.208 107 D C 0.389 176.722 176.300 0.054 0.000 0.963 107 D CA 0.561 54.591 54.000 0.050 0.000 0.864 107 D CB 0.024 40.881 40.800 0.094 0.000 0.936 107 D HN 0.019 nan 8.370 nan 0.000 0.505 108 V N 2.779 122.722 119.914 0.050 0.000 2.475 108 V HA -0.089 4.032 4.120 0.000 0.000 0.292 108 V C 0.809 176.873 176.094 -0.050 0.000 1.003 108 V CA 0.134 62.463 62.300 0.049 0.000 1.120 108 V CB -0.298 31.534 31.823 0.016 0.000 0.937 108 V HN -0.040 nan 8.190 nan 0.000 0.476 109 K N 3.985 124.380 120.400 -0.009 0.000 2.219 109 K HA 0.344 4.664 4.320 0.000 0.000 0.258 109 K C -0.547 176.021 176.600 -0.053 0.000 1.008 109 K CA -0.437 55.849 56.287 -0.003 0.000 0.928 109 K CB 0.466 32.991 32.500 0.042 0.000 0.983 109 K HN 0.524 nan 8.250 nan 0.000 0.484 110 Y N 0.406 120.740 120.300 0.057 0.000 2.442 110 Y HA 0.091 4.642 4.550 0.000 0.000 0.330 110 Y C 1.370 177.295 175.900 0.041 0.000 1.129 110 Y CA 0.063 58.203 58.100 0.066 0.000 1.365 110 Y CB 0.587 39.093 38.460 0.076 0.000 1.233 110 Y HN 0.672 nan 8.280 nan 0.000 0.529 111 G N 3.034 111.934 108.800 0.167 0.000 2.380 111 G HA2 0.086 4.046 3.960 0.000 0.000 0.242 111 G HA3 0.086 4.046 3.960 0.000 0.000 0.242 111 G C 0.492 175.435 174.900 0.072 0.000 1.298 111 G CA -0.384 44.766 45.100 0.083 0.000 0.878 111 G HN 0.739 nan 8.290 nan 0.000 0.542 112 K N 1.047 121.476 120.400 0.049 0.000 2.102 112 K HA 0.203 4.524 4.320 0.000 0.000 0.206 112 K C 0.927 177.545 176.600 0.030 0.000 1.031 112 K CA 0.659 56.969 56.287 0.039 0.000 0.962 112 K CB 0.292 32.815 32.500 0.039 0.000 0.811 112 K HN 0.487 nan 8.250 nan 0.000 0.453 113 R N 0.497 121.025 120.500 0.047 0.000 2.574 113 R HA 0.418 4.758 4.340 0.000 0.000 0.288 113 R C -1.164 175.192 176.300 0.093 0.000 1.004 113 R CA -0.618 55.536 56.100 0.090 0.000 0.895 113 R CB 1.813 32.207 30.300 0.157 0.000 1.191 113 R HN 0.251 nan 8.270 nan 0.000 0.444 114 I N -1.743 118.878 120.570 0.086 0.000 2.646 114 I HA 0.530 4.700 4.170 0.000 0.000 0.299 114 I C -0.858 175.366 176.117 0.178 0.000 1.036 114 I CA -0.889 60.469 61.300 0.097 0.000 1.074 114 I CB 2.202 40.203 38.000 0.003 0.000 1.258 114 I HN 0.586 nan 8.210 nan 0.000 0.430 115 H N 4.938 124.072 119.070 0.106 0.000 2.708 115 H HA 0.707 5.263 4.556 0.000 0.000 0.320 115 H C -1.131 174.279 175.328 0.137 0.000 0.991 115 H CA -0.654 55.468 56.048 0.122 0.000 1.243 115 H CB 1.460 31.267 29.762 0.075 0.000 1.446 115 H HN 0.688 nan 8.280 nan 0.000 0.502 116 V N 3.600 123.576 119.914 0.103 0.000 2.715 116 V HA 0.669 4.789 4.120 0.000 0.000 0.310 116 V C -0.860 175.332 176.094 0.164 0.000 1.054 116 V CA -0.904 61.513 62.300 0.194 0.000 0.928 116 V CB 1.960 33.914 31.823 0.219 0.000 1.007 116 V HN 0.629 nan 8.190 nan 0.000 0.437 117 L N 3.830 125.202 121.223 0.247 0.000 2.445 117 L HA 0.626 4.966 4.340 0.000 0.000 0.262 117 L C -2.651 174.324 176.870 0.174 0.000 0.974 117 L CA -1.772 53.196 54.840 0.214 0.000 0.822 117 L CB 3.317 45.477 42.059 0.167 0.000 1.339 117 L HN 0.497 nan 8.230 nan 0.000 0.409 118 P HA 0.249 nan 4.420 nan 0.000 0.276 118 P C -0.785 176.360 177.300 -0.258 0.000 1.244 118 P CA -0.355 62.532 63.100 -0.356 0.000 0.801 118 P CB 1.142 32.588 31.700 -0.423 0.000 1.006 119 I N 3.063 123.428 120.570 -0.342 0.000 2.352 119 I HA 0.014 4.184 4.170 0.000 0.000 0.290 119 I C 1.874 177.870 176.117 -0.203 0.000 1.036 119 I CA 0.248 61.416 61.300 -0.220 0.000 1.336 119 I CB 0.128 38.007 38.000 -0.202 0.000 1.407 119 I HN 0.411 nan 8.210 nan 0.000 0.497 120 D N 5.096 125.415 120.400 -0.135 0.000 2.154 120 D HA -0.329 4.311 4.640 0.000 0.000 0.190 120 D C 1.233 177.466 176.300 -0.113 0.000 1.003 120 D CA 2.191 56.126 54.000 -0.109 0.000 0.849 120 D CB -0.474 40.283 40.800 -0.071 0.000 0.942 120 D HN 0.692 nan 8.370 nan 0.000 0.446 121 D N 0.219 120.554 120.400 -0.107 0.000 2.312 121 D HA -0.126 4.514 4.640 0.000 0.000 0.211 121 D C 1.602 177.835 176.300 -0.112 0.000 0.964 121 D CA 1.696 55.640 54.000 -0.093 0.000 0.877 121 D CB -0.915 39.839 40.800 -0.077 0.000 0.924 121 D HN 0.460 nan 8.370 nan 0.000 0.515 122 T N -2.320 112.138 114.554 -0.159 0.000 3.206 122 T HA 0.275 4.625 4.350 0.000 0.000 0.253 122 T C 0.995 175.559 174.700 -0.226 0.000 1.042 122 T CA -0.341 61.644 62.100 -0.191 0.000 0.931 122 T CB 0.306 69.027 68.868 -0.246 0.000 1.029 122 T HN 0.014 nan 8.240 nan 0.000 0.564 123 V N 0.259 120.064 119.914 -0.183 0.000 3.329 123 V HA 0.313 4.433 4.120 0.000 0.000 0.317 123 V C -0.324 175.715 176.094 -0.093 0.000 1.495 123 V CA -0.500 61.696 62.300 -0.174 0.000 1.105 123 V CB 0.437 32.121 31.823 -0.232 0.000 0.985 123 V HN 0.471 nan 8.190 nan 0.000 0.475 124 E N 1.296 121.452 120.200 -0.072 0.000 2.324 124 E HA 0.503 4.853 4.350 0.000 0.000 0.271 124 E C 0.503 177.089 176.600 -0.023 0.000 1.028 124 E CA 0.907 57.282 56.400 -0.042 0.000 0.890 124 E CB 0.816 30.493 29.700 -0.038 0.000 1.004 124 E HN 0.576 nan 8.360 nan 0.000 0.431 125 G N 3.272 112.066 108.800 -0.010 0.000 3.172 125 G HA2 -0.129 3.832 3.960 0.000 0.000 0.686 125 G HA3 -0.129 3.832 3.960 0.000 0.000 0.686 125 G C -0.268 174.645 174.900 0.021 0.000 1.009 125 G CA -0.732 44.370 45.100 0.005 0.000 0.787 125 G HN 0.773 nan 8.290 nan 0.000 0.559 126 I N 0.891 121.478 120.570 0.029 0.000 8.399 126 I HA -0.261 3.909 4.170 0.000 0.000 0.126 126 I C 1.513 177.671 176.117 0.068 0.000 1.785 126 I CA 2.105 63.433 61.300 0.047 0.000 2.148 126 I CB -0.428 37.603 38.000 0.051 0.000 3.696 126 I HN 1.109 nan 8.210 nan 0.000 0.202 127 T N 5.170 119.763 114.554 0.064 0.000 2.770 127 T HA 0.219 4.569 4.350 0.000 0.000 0.258 127 T C 1.706 176.476 174.700 0.116 0.000 1.039 127 T CA 1.223 63.374 62.100 0.085 0.000 1.143 127 T CB -0.583 68.325 68.868 0.067 0.000 0.866 127 T HN 1.458 nan 8.240 nan 0.000 0.428 128 G N 2.492 111.344 108.800 0.087 0.000 3.434 128 G HA2 -0.350 3.611 3.960 0.000 0.000 0.343 128 G HA3 -0.350 3.611 3.960 0.000 0.000 0.343 128 G C 0.239 175.194 174.900 0.093 0.000 1.240 128 G CA 0.760 45.907 45.100 0.079 0.000 0.996 128 G HN 0.745 nan 8.290 nan 0.000 0.650 129 N N -0.152 118.622 118.700 0.124 0.000 2.537 129 N HA 0.342 5.082 4.740 0.000 0.000 0.281 129 N C 0.940 176.585 175.510 0.226 0.000 1.097 129 N CA -0.182 52.962 53.050 0.156 0.000 0.964 129 N CB 1.415 39.986 38.487 0.139 0.000 1.588 129 N HN 0.270 nan 8.380 nan 0.000 0.511 130 L N 2.461 123.845 121.223 0.269 0.000 2.141 130 L HA -0.002 4.338 4.340 0.000 0.000 0.209 130 L C 2.053 179.130 176.870 0.345 0.000 1.094 130 L CA 1.174 56.237 54.840 0.371 0.000 0.763 130 L CB -0.291 41.954 42.059 0.310 0.000 0.908 130 L HN 0.546 nan 8.230 nan 0.000 0.437 131 F N 0.861 120.887 119.950 0.126 0.000 2.146 131 F HA -0.216 4.311 4.527 0.000 0.000 0.298 131 F C 2.514 178.366 175.800 0.086 0.000 1.096 131 F CA 1.599 59.643 58.000 0.074 0.000 1.275 131 F CB 0.178 39.193 39.000 0.026 0.000 1.008 131 F HN -0.025 nan 8.300 nan 0.000 0.480 132 E N 0.124 120.303 120.200 -0.035 0.000 2.046 132 E HA -0.123 4.227 4.350 0.000 0.000 0.190 132 E C 2.108 178.613 176.600 -0.158 0.000 0.982 132 E CA 1.702 58.011 56.400 -0.152 0.000 0.800 132 E CB -0.459 29.246 29.700 0.008 0.000 0.756 132 E HN 0.274 nan 8.360 nan 0.000 0.449 133 V N -0.295 119.566 119.914 -0.088 0.000 2.379 133 V HA -0.182 3.938 4.120 0.000 0.000 0.245 133 V C 1.522 177.407 176.094 -0.349 0.000 1.044 133 V CA 1.789 63.934 62.300 -0.257 0.000 1.036 133 V CB -0.433 31.169 31.823 -0.368 0.000 0.664 133 V HN 0.294 nan 8.190 nan 0.000 0.453 134 Y N -1.268 119.026 120.300 -0.011 0.000 2.447 134 Y HA 0.261 4.811 4.550 0.000 0.000 0.286 134 Y C 2.015 177.890 175.900 -0.042 0.000 1.153 134 Y CA 0.315 58.429 58.100 0.024 0.000 1.241 134 Y CB -0.227 38.334 38.460 0.169 0.000 1.284 134 Y HN -0.020 nan 8.280 nan 0.000 0.520 135 L N 0.211 121.476 121.223 0.069 0.000 2.044 135 L HA -0.117 4.223 4.340 0.000 0.000 0.205 135 L C 2.416 179.337 176.870 0.086 0.000 1.075 135 L CA 1.346 56.230 54.840 0.073 0.000 0.747 135 L CB -0.394 41.736 42.059 0.118 0.000 0.903 135 L HN 0.102 nan 8.230 nan 0.000 0.435 136 K N 0.205 120.410 120.400 -0.325 0.000 2.032 136 K HA -0.163 4.157 4.320 0.000 0.000 0.209 136 K C -0.532 175.999 176.600 -0.116 0.000 1.048 136 K CA 1.638 57.703 56.287 -0.370 0.000 0.927 136 K CB -0.809 31.197 32.500 -0.824 0.000 0.712 136 K HN 0.221 nan 8.250 nan 0.000 0.441 137 P HA -0.165 nan 4.420 nan 0.000 0.223 137 P C 1.083 178.376 177.300 -0.011 0.000 1.151 137 P CA 1.088 64.157 63.100 -0.052 0.000 0.787 137 P CB -0.115 31.551 31.700 -0.057 0.000 0.788 138 Y N -0.315 119.899 120.300 -0.143 0.000 2.263 138 Y HA -0.086 4.464 4.550 0.000 0.000 0.292 138 Y C 1.850 177.523 175.900 -0.377 0.000 1.130 138 Y CA 1.570 59.508 58.100 -0.269 0.000 1.179 138 Y CB -0.550 37.704 38.460 -0.343 0.000 0.998 138 Y HN -0.263 nan 8.280 nan 0.000 0.532 139 F N -0.759 119.164 119.950 -0.044 0.000 2.505 139 F HA 0.137 4.664 4.527 0.000 0.000 0.289 139 F C 0.593 176.296 175.800 -0.161 0.000 1.101 139 F CA -0.223 57.694 58.000 -0.138 0.000 1.446 139 F CB -0.569 38.417 39.000 -0.024 0.000 1.123 139 F HN -0.171 nan 8.300 nan 0.000 0.564 140 L N 2.040 123.290 121.223 0.045 0.000 2.667 140 L HA -0.083 4.257 4.340 0.000 0.000 0.278 140 L C 1.008 177.828 176.870 -0.083 0.000 1.217 140 L CA 0.193 55.015 54.840 -0.030 0.000 0.935 140 L CB -0.142 41.896 42.059 -0.036 0.000 1.193 140 L HN 0.318 nan 8.230 nan 0.000 0.493 141 E N 1.755 121.861 120.200 -0.158 0.000 3.426 141 E HA -0.354 3.996 4.350 0.000 0.000 0.291 141 E C 1.125 177.660 176.600 -0.108 0.000 0.898 141 E CA 1.194 57.487 56.400 -0.178 0.000 0.970 141 E CB -1.679 27.997 29.700 -0.041 0.000 1.489 141 E HN 0.832 nan 8.360 nan 0.000 0.461 142 A N -0.400 122.349 122.820 -0.118 0.000 2.072 142 A HA 0.067 4.387 4.320 0.000 0.000 0.216 142 A C 0.476 178.116 177.584 0.093 0.000 1.156 142 A CA 0.755 52.773 52.037 -0.032 0.000 0.701 142 A CB -0.313 18.605 19.000 -0.135 0.000 0.816 142 A HN 0.313 nan 8.150 nan 0.000 0.458 143 Y N -0.226 120.106 120.300 0.053 0.000 3.001 143 Y HA -0.223 4.327 4.550 0.000 0.000 0.199 143 Y C 0.537 176.457 175.900 0.033 0.000 1.320 143 Y CA 0.459 58.601 58.100 0.069 0.000 0.974 143 Y CB -1.830 36.679 38.460 0.082 0.000 1.291 143 Y HN 0.378 nan 8.280 nan 0.000 0.465 144 R N 1.621 122.204 120.500 0.138 0.000 2.389 144 R HA 0.238 4.578 4.340 0.000 0.000 0.295 144 R C -2.369 173.985 176.300 0.091 0.000 1.075 144 R CA -1.577 54.579 56.100 0.092 0.000 1.005 144 R CB 0.459 30.827 30.300 0.112 0.000 0.987 144 R HN 0.003 nan 8.270 nan 0.000 0.452 145 P HA 0.186 nan 4.420 nan 0.000 0.287 145 P C -0.726 176.602 177.300 0.046 0.000 1.281 145 P CA -0.288 62.832 63.100 0.033 0.000 0.781 145 P CB 0.576 32.270 31.700 -0.009 0.000 0.903 146 I N -0.201 120.413 120.570 0.073 0.000 2.647 146 I HA 0.682 4.852 4.170 0.000 0.000 0.295 146 I C -0.514 175.684 176.117 0.135 0.000 1.078 146 I CA -1.306 60.046 61.300 0.087 0.000 1.048 146 I CB 2.989 41.039 38.000 0.084 0.000 1.239 146 I HN 0.067 nan 8.210 nan 0.000 0.421 147 R N 3.291 123.879 120.500 0.147 0.000 2.664 147 R HA 0.402 4.742 4.340 0.000 0.000 0.286 147 R C -0.487 175.917 176.300 0.174 0.000 0.967 147 R CA -1.029 55.187 56.100 0.192 0.000 0.933 147 R CB 1.761 32.164 30.300 0.171 0.000 1.146 147 R HN 0.782 nan 8.270 nan 0.000 0.468 148 K N 0.986 121.481 120.400 0.160 0.000 2.484 148 K HA -0.037 4.283 4.320 0.000 0.000 0.280 148 K C 0.461 177.138 176.600 0.128 0.000 1.013 148 K CA 1.589 57.955 56.287 0.132 0.000 1.029 148 K CB 0.205 32.761 32.500 0.094 0.000 0.902 148 K HN 0.839 nan 8.250 nan 0.000 0.481 149 G N 3.071 111.950 108.800 0.132 0.000 2.176 149 G HA2 -0.208 3.752 3.960 0.000 0.000 0.253 149 G HA3 -0.208 3.752 3.960 0.000 0.000 0.253 149 G C -0.392 174.589 174.900 0.134 0.000 0.979 149 G CA 0.130 45.298 45.100 0.114 0.000 0.641 149 G HN 0.728 nan 8.290 nan 0.000 0.530 150 D N 0.453 120.964 120.400 0.186 0.000 2.425 150 D HA 0.449 5.089 4.640 0.000 0.000 0.247 150 D C 0.661 177.131 176.300 0.284 0.000 1.147 150 D CA 0.294 54.433 54.000 0.233 0.000 0.879 150 D CB 0.734 41.702 40.800 0.281 0.000 1.179 150 D HN 0.290 nan 8.370 nan 0.000 0.456 151 I N 3.904 124.602 120.570 0.214 0.000 2.339 151 I HA 0.333 4.503 4.170 0.000 0.000 0.290 151 I C -0.293 175.957 176.117 0.221 0.000 0.994 151 I CA -0.829 60.555 61.300 0.141 0.000 1.191 151 I CB 0.481 38.504 38.000 0.039 0.000 1.343 151 I HN 0.129 nan 8.210 nan 0.000 0.458 152 F N 5.555 125.551 119.950 0.076 0.000 2.565 152 F HA 0.801 5.328 4.527 0.000 0.000 0.313 152 F C -1.382 174.417 175.800 -0.002 0.000 1.091 152 F CA -1.460 56.567 58.000 0.045 0.000 0.915 152 F CB 1.147 40.186 39.000 0.065 0.000 1.208 152 F HN 0.278 nan 8.300 nan 0.000 0.453 153 L N 3.868 125.139 121.223 0.080 0.000 2.289 153 L HA 0.808 5.148 4.340 0.000 0.000 0.285 153 L C -1.242 175.630 176.870 0.004 0.000 1.049 153 L CA -0.526 54.298 54.840 -0.026 0.000 0.804 153 L CB 1.499 43.559 42.059 0.002 0.000 1.195 153 L HN 0.663 nan 8.230 nan 0.000 0.428 154 V N 5.373 125.282 119.914 -0.009 0.000 2.577 154 V HA 0.505 4.626 4.120 0.000 0.000 0.303 154 V C -0.022 176.183 176.094 0.184 0.000 1.042 154 V CA -0.744 61.591 62.300 0.059 0.000 0.872 154 V CB 1.655 33.513 31.823 0.059 0.000 0.998 154 V HN 0.688 nan 8.190 nan 0.000 0.423 155 R N 2.171 122.776 120.500 0.175 0.000 2.441 155 R HA 0.614 4.954 4.340 0.000 0.000 0.284 155 R C 0.572 176.980 176.300 0.180 0.000 1.070 155 R CA 0.077 56.285 56.100 0.180 0.000 1.047 155 R CB 1.333 31.694 30.300 0.101 0.000 1.016 155 R HN 0.953 nan 8.270 nan 0.000 0.477 156 G N 1.455 110.335 108.800 0.133 0.000 4.332 156 G HA2 0.426 4.387 3.960 0.000 0.000 0.321 156 G HA3 0.426 4.387 3.960 0.000 0.000 0.321 156 G C 0.543 175.339 174.900 -0.175 0.000 1.439 156 G CA 0.098 45.057 45.100 -0.235 0.000 0.900 156 G HN 0.884 nan 8.290 nan 0.000 0.515 157 G N 2.782 111.536 108.800 -0.076 0.000 3.729 157 G HA2 -0.469 3.491 3.960 0.000 0.000 0.327 157 G HA3 -0.469 3.491 3.960 0.000 0.000 0.327 157 G C 1.913 176.808 174.900 -0.008 0.000 1.293 157 G CA 1.956 47.028 45.100 -0.047 0.000 1.011 157 G HN 1.268 nan 8.290 nan 0.000 0.673 158 M N 0.834 120.431 119.600 -0.005 0.000 2.226 158 M HA -0.019 4.461 4.480 0.000 0.000 0.257 158 M C 1.477 177.805 176.300 0.048 0.000 1.070 158 M CA 2.865 58.180 55.300 0.024 0.000 1.087 158 M CB -0.713 31.907 32.600 0.034 0.000 1.278 158 M HN 0.960 nan 8.290 nan 0.000 0.426 159 R N 0.301 120.858 120.500 0.094 0.000 2.781 159 R HA 0.804 5.144 4.340 0.000 0.000 0.268 159 R C -1.944 174.441 176.300 0.140 0.000 1.047 159 R CA -0.573 55.579 56.100 0.088 0.000 0.925 159 R CB 1.257 31.588 30.300 0.051 0.000 1.246 159 R HN 0.181 nan 8.270 nan 0.000 0.456 160 A N 1.004 123.856 122.820 0.055 0.000 2.304 160 A HA 0.637 4.958 4.320 0.000 0.000 0.323 160 A C -0.791 176.718 177.584 -0.126 0.000 1.195 160 A CA -0.745 51.303 52.037 0.018 0.000 0.826 160 A CB 1.586 20.586 19.000 0.001 0.000 1.184 160 A HN 0.354 nan 8.150 nan 0.000 0.496 161 V N 2.647 122.406 119.914 -0.259 0.000 2.495 161 V HA 0.315 4.435 4.120 0.000 0.000 0.298 161 V C -0.065 175.626 176.094 -0.672 0.000 1.031 161 V CA -0.590 61.362 62.300 -0.579 0.000 0.871 161 V CB 1.598 32.820 31.823 -1.001 0.000 0.988 161 V HN 0.992 nan 8.190 nan 0.000 0.432 162 E N 3.496 123.307 120.200 -0.648 0.000 2.259 162 E HA 0.526 4.876 4.350 0.000 0.000 0.281 162 E C -1.444 174.646 176.600 -0.851 0.000 1.027 162 E CA -0.132 55.922 56.400 -0.576 0.000 0.838 162 E CB 1.230 30.733 29.700 -0.327 0.000 1.066 162 E HN 0.498 nan 8.360 nan 0.000 0.401 163 F N 1.741 121.296 119.950 -0.658 0.000 2.522 163 F HA 0.389 4.916 4.527 0.000 0.000 0.324 163 F C 0.295 175.784 175.800 -0.518 0.000 1.077 163 F CA -0.902 56.692 58.000 -0.676 0.000 0.944 163 F CB 1.594 39.975 39.000 -1.031 0.000 1.175 163 F HN 0.151 nan 8.300 nan 0.000 0.468 164 K N 1.679 122.080 120.400 0.002 0.000 2.244 164 K HA 0.612 4.932 4.320 0.000 0.000 0.260 164 K C -1.455 175.288 176.600 0.237 0.000 0.951 164 K CA -0.626 55.725 56.287 0.107 0.000 0.826 164 K CB 1.649 34.190 32.500 0.069 0.000 1.108 164 K HN 0.501 nan 8.250 nan 0.000 0.433 165 V N 5.768 125.871 119.914 0.315 0.000 2.370 165 V HA 0.002 4.122 4.120 0.000 0.000 0.257 165 V C 1.104 177.324 176.094 0.209 0.000 1.064 165 V CA -0.150 62.336 62.300 0.310 0.000 0.975 165 V CB 0.755 32.768 31.823 0.317 0.000 1.067 165 V HN 0.709 nan 8.190 nan 0.000 0.485 166 V N 3.332 123.372 119.914 0.210 0.000 2.446 166 V HA 0.091 4.211 4.120 0.000 0.000 0.244 166 V C 0.807 176.954 176.094 0.089 0.000 1.039 166 V CA 1.060 63.442 62.300 0.137 0.000 1.045 166 V CB 0.008 31.911 31.823 0.133 0.000 0.681 166 V HN 0.837 nan 8.190 nan 0.000 0.459 167 E N -0.986 119.289 120.200 0.126 0.000 2.367 167 E HA 0.565 4.915 4.350 0.000 0.000 0.273 167 E C -1.163 175.497 176.600 0.100 0.000 0.903 167 E CA -0.292 56.156 56.400 0.080 0.000 0.764 167 E CB 2.322 32.036 29.700 0.024 0.000 1.252 167 E HN 0.196 nan 8.360 nan 0.000 0.446 168 T N 2.754 117.345 114.554 0.060 0.000 2.921 168 T HA 0.194 4.544 4.350 0.000 0.000 0.297 168 T C -0.121 174.593 174.700 0.023 0.000 1.013 168 T CA -0.638 61.492 62.100 0.049 0.000 0.990 168 T CB 1.505 70.399 68.868 0.043 0.000 1.023 168 T HN 0.485 nan 8.240 nan 0.000 0.447 169 D N 1.747 122.163 120.400 0.028 0.000 2.162 169 D HA 0.066 4.706 4.640 0.000 0.000 0.203 169 D C -1.586 174.714 176.300 -0.000 0.000 0.967 169 D CA 0.253 54.263 54.000 0.017 0.000 0.840 169 D CB -0.382 40.436 40.800 0.030 0.000 0.972 169 D HN 0.347 nan 8.370 nan 0.000 0.482 170 P HA 0.177 nan 4.420 nan 0.000 0.282 170 P C 0.497 177.748 177.300 -0.082 0.000 1.274 170 P CA -0.082 62.999 63.100 -0.032 0.000 0.770 170 P CB 1.689 33.382 31.700 -0.013 0.000 0.867 171 S N 5.256 120.890 115.700 -0.110 0.000 2.320 171 S HA -0.221 4.249 4.470 0.000 0.000 0.320 171 S C -0.523 173.984 174.600 -0.154 0.000 1.090 171 S CA 2.290 60.411 58.200 -0.132 0.000 1.631 171 S CB -1.950 61.168 63.200 -0.136 0.000 1.389 171 S HN 0.601 nan 8.310 nan 0.000 0.474 172 P HA 0.242 nan 4.420 nan 0.000 0.223 172 P C -0.371 176.876 177.300 -0.089 0.000 1.148 172 P CA 0.615 63.590 63.100 -0.208 0.000 0.870 172 P CB 0.162 31.708 31.700 -0.256 0.000 0.859 173 Y N -0.685 119.627 120.300 0.020 0.000 2.581 173 Y HA 0.695 5.245 4.550 0.000 0.000 0.345 173 Y C -0.390 175.512 175.900 0.003 0.000 1.036 173 Y CA -2.070 56.039 58.100 0.016 0.000 1.042 173 Y CB 0.609 39.077 38.460 0.013 0.000 1.289 173 Y HN 0.119 nan 8.280 nan 0.000 0.471 174 C N 0.466 119.882 119.300 0.194 0.000 3.321 174 C HA 0.808 5.268 4.460 0.000 0.000 0.329 174 C C -0.997 174.032 174.990 0.065 0.000 1.394 174 C CA -1.232 57.846 59.018 0.100 0.000 1.291 174 C CB 0.874 28.646 27.740 0.054 0.000 1.606 174 C HN 0.984 nan 8.230 nan 0.000 0.463 175 I N 1.986 122.562 120.570 0.009 0.000 2.395 175 I HA 0.357 4.527 4.170 0.000 0.000 0.289 175 I C 0.013 176.173 176.117 0.071 0.000 1.023 175 I CA -0.358 60.951 61.300 0.014 0.000 1.350 175 I CB 1.652 39.582 38.000 -0.118 0.000 1.409 175 I HN 0.560 nan 8.210 nan 0.000 0.507 176 V N 7.145 127.088 119.914 0.050 0.000 2.313 176 V HA 0.314 4.434 4.120 0.000 0.000 0.252 176 V C 0.778 176.866 176.094 -0.010 0.000 1.112 176 V CA -0.357 61.914 62.300 -0.048 0.000 0.984 176 V CB 0.006 31.650 31.823 -0.298 0.000 1.157 176 V HN 0.828 nan 8.190 nan 0.000 0.493 177 A N 7.426 130.290 122.820 0.074 0.000 2.257 177 A HA 0.683 5.003 4.320 0.000 0.000 0.289 177 A C -0.790 176.722 177.584 -0.120 0.000 1.095 177 A CA -1.467 50.556 52.037 -0.023 0.000 0.836 177 A CB 0.246 19.428 19.000 0.303 0.000 1.111 177 A HN 0.559 nan 8.150 nan 0.000 0.497 178 P HA -0.204 nan 4.420 nan 0.000 0.217 178 P C 0.308 177.580 177.300 -0.046 0.000 1.148 178 P CA 1.923 64.967 63.100 -0.093 0.000 0.834 178 P CB -0.065 31.585 31.700 -0.085 0.000 0.783 179 D N -1.207 119.171 120.400 -0.035 0.000 2.182 179 D HA -0.086 4.555 4.640 0.000 0.000 0.201 179 D C 0.319 176.602 176.300 -0.030 0.000 0.986 179 D CA 0.997 54.982 54.000 -0.026 0.000 0.847 179 D CB -0.893 39.897 40.800 -0.017 0.000 0.942 179 D HN 0.182 nan 8.370 nan 0.000 0.467 180 T N 1.399 115.933 114.554 -0.033 0.000 2.784 180 T HA 0.190 4.540 4.350 0.000 0.000 0.291 180 T C 0.237 174.873 174.700 -0.108 0.000 0.942 180 T CA -0.377 61.688 62.100 -0.058 0.000 1.161 180 T CB 0.915 69.734 68.868 -0.081 0.000 0.885 180 T HN -0.186 nan 8.240 nan 0.000 0.534 181 V N 5.745 125.584 119.914 -0.126 0.000 2.439 181 V HA 0.202 4.322 4.120 0.000 0.000 0.271 181 V C 0.540 176.433 176.094 -0.335 0.000 1.040 181 V CA -0.418 61.730 62.300 -0.254 0.000 1.002 181 V CB -0.157 31.516 31.823 -0.250 0.000 1.000 181 V HN 0.760 nan 8.190 nan 0.000 0.477 182 I N 5.768 126.094 120.570 -0.407 0.000 2.287 182 I HA 0.301 4.471 4.170 0.000 0.000 0.290 182 I C 0.282 176.120 176.117 -0.464 0.000 1.069 182 I CA -0.147 60.963 61.300 -0.316 0.000 1.237 182 I CB 0.092 38.059 38.000 -0.054 0.000 1.418 182 I HN 0.585 nan 8.210 nan 0.000 0.481 183 H N 5.460 124.414 119.070 -0.193 0.000 2.502 183 H HA 0.314 4.871 4.556 0.000 0.000 0.327 183 H C -0.160 174.967 175.328 -0.335 0.000 1.099 183 H CA -0.560 55.338 56.048 -0.250 0.000 1.323 183 H CB 1.772 31.416 29.762 -0.197 0.000 1.450 183 H HN 0.728 nan 8.280 nan 0.000 0.502 184 C N 1.710 120.913 119.300 -0.162 0.000 3.359 184 C HA 0.356 4.816 4.460 0.000 0.000 0.194 184 C C 1.155 176.090 174.990 -0.091 0.000 1.659 184 C CA -0.828 58.096 59.018 -0.157 0.000 1.338 184 C CB -1.016 26.730 27.740 0.010 0.000 2.109 184 C HN 0.801 nan 8.230 nan 0.000 0.518 185 E N 2.290 122.396 120.200 -0.157 0.000 2.005 185 E HA 0.175 4.526 4.350 0.000 0.000 0.191 185 E C 1.808 178.455 176.600 0.078 0.000 0.987 185 E CA 1.252 57.663 56.400 0.018 0.000 0.814 185 E CB -0.070 29.682 29.700 0.087 0.000 0.772 185 E HN 0.811 nan 8.360 nan 0.000 0.453 186 G N 0.799 109.695 108.800 0.161 0.000 2.527 186 G HA2 -0.041 3.919 3.960 0.000 0.000 0.279 186 G HA3 -0.041 3.919 3.960 0.000 0.000 0.279 186 G C -0.344 174.609 174.900 0.087 0.000 1.374 186 G CA -0.494 44.685 45.100 0.131 0.000 1.053 186 G HN 0.085 nan 8.290 nan 0.000 0.539 187 E N 0.502 120.741 120.200 0.064 0.000 2.390 187 E HA 0.193 4.543 4.350 0.000 0.000 0.261 187 E C -2.131 174.489 176.600 0.034 0.000 1.076 187 E CA -1.110 55.313 56.400 0.038 0.000 0.905 187 E CB 0.461 30.175 29.700 0.024 0.000 0.984 187 E HN 0.131 nan 8.360 nan 0.000 0.427 188 P HA -0.011 nan 4.420 nan 0.000 0.267 188 P C -0.513 176.777 177.300 -0.017 0.000 1.209 188 P CA 0.037 63.129 63.100 -0.014 0.000 0.763 188 P CB 0.295 31.971 31.700 -0.041 0.000 0.816 189 I N 3.706 124.265 120.570 -0.018 0.000 2.668 189 I HA -0.044 4.127 4.170 0.000 0.000 0.285 189 I C 1.173 177.265 176.117 -0.042 0.000 1.168 189 I CA 0.368 61.657 61.300 -0.020 0.000 1.424 189 I CB -0.280 37.714 38.000 -0.010 0.000 1.377 189 I HN 0.318 nan 8.210 nan 0.000 0.560 190 K N 5.749 126.129 120.400 -0.033 0.000 2.401 190 K HA -0.010 4.310 4.320 0.000 0.000 0.278 190 K C 1.164 177.737 176.600 -0.046 0.000 1.018 190 K CA -0.193 56.071 56.287 -0.039 0.000 0.981 190 K CB 1.063 33.545 32.500 -0.029 0.000 0.933 190 K HN 0.381 nan 8.250 nan 0.000 0.477 191 R N 3.014 123.482 120.500 -0.053 0.000 2.080 191 R HA -0.208 4.132 4.340 0.000 0.000 0.236 191 R C 1.190 177.463 176.300 -0.044 0.000 1.137 191 R CA 2.053 58.120 56.100 -0.056 0.000 0.943 191 R CB -0.018 30.247 30.300 -0.057 0.000 0.846 191 R HN 0.693 nan 8.270 nan 0.000 0.431 192 E N -0.139 120.038 120.200 -0.038 0.000 2.160 192 E HA -0.189 4.161 4.350 0.000 0.000 0.195 192 E C 1.455 178.035 176.600 -0.033 0.000 0.991 192 E CA 1.411 57.791 56.400 -0.033 0.000 0.810 192 E CB -0.107 29.576 29.700 -0.029 0.000 0.742 192 E HN 0.483 nan 8.360 nan 0.000 0.466 193 D N 0.724 121.105 120.400 -0.032 0.000 2.097 193 D HA -0.147 4.493 4.640 0.000 0.000 0.195 193 D C 1.818 178.100 176.300 -0.031 0.000 0.989 193 D CA 0.930 54.913 54.000 -0.029 0.000 0.827 193 D CB -0.143 40.642 40.800 -0.025 0.000 0.966 193 D HN 0.059 nan 8.370 nan 0.000 0.456 194 E N 0.468 120.649 120.200 -0.032 0.000 2.208 194 E HA -0.087 4.263 4.350 0.000 0.000 0.193 194 E C 1.864 178.444 176.600 -0.034 0.000 0.988 194 E CA 0.508 56.889 56.400 -0.032 0.000 0.828 194 E CB 0.066 29.745 29.700 -0.035 0.000 0.763 194 E HN 0.369 nan 8.360 nan 0.000 0.478 195 E N 0.506 120.684 120.200 -0.036 0.000 2.158 195 E HA -0.116 4.234 4.350 0.000 0.000 0.191 195 E C 1.693 178.270 176.600 -0.038 0.000 0.982 195 E CA 0.426 56.804 56.400 -0.036 0.000 0.823 195 E CB -0.019 29.660 29.700 -0.035 0.000 0.766 195 E HN 0.371 nan 8.360 nan 0.000 0.468 196 E N 0.349 120.526 120.200 -0.038 0.000 2.427 196 E HA -0.035 4.315 4.350 0.000 0.000 0.196 196 E C 1.835 178.406 176.600 -0.048 0.000 1.028 196 E CA 0.234 56.609 56.400 -0.042 0.000 0.864 196 E CB 0.205 29.881 29.700 -0.039 0.000 0.813 196 E HN -0.030 nan 8.360 nan 0.000 0.514 197 S N -0.389 115.285 115.700 -0.043 0.000 2.421 197 S HA 0.037 4.507 4.470 0.000 0.000 0.224 197 S C 1.749 176.321 174.600 -0.046 0.000 1.035 197 S CA 0.176 58.350 58.200 -0.044 0.000 0.953 197 S CB 0.093 63.273 63.200 -0.032 0.000 0.810 197 S HN 0.235 nan 8.310 nan 0.000 0.497 198 L N 1.866 123.064 121.223 -0.041 0.000 2.141 198 L HA -0.020 4.321 4.340 0.000 0.000 0.209 198 L C 2.167 179.006 176.870 -0.052 0.000 1.094 198 L CA 0.811 55.626 54.840 -0.042 0.000 0.763 198 L CB -0.491 41.548 42.059 -0.034 0.000 0.908 198 L HN 0.251 nan 8.230 nan 0.000 0.437 199 N N 0.295 118.963 118.700 -0.055 0.000 2.192 199 N HA -0.166 4.574 4.740 0.000 0.000 0.188 199 N C 0.260 175.723 175.510 -0.079 0.000 1.013 199 N CA 0.637 53.649 53.050 -0.063 0.000 0.863 199 N CB -0.232 38.221 38.487 -0.058 0.000 0.990 199 N HN 0.343 nan 8.380 nan 0.000 0.430 200 E N 0.454 120.603 120.200 -0.085 0.000 2.708 200 E HA -0.081 4.269 4.350 0.000 0.000 0.260 200 E C -0.321 176.204 176.600 -0.126 0.000 0.937 200 E CA 0.160 56.494 56.400 -0.109 0.000 0.953 200 E CB 0.792 30.425 29.700 -0.112 0.000 0.915 200 E HN -0.047 nan 8.360 nan 0.000 0.487 201 V N 3.248 123.073 119.914 -0.148 0.000 2.555 201 V HA 0.299 4.419 4.120 0.000 0.000 0.286 201 V C 0.912 176.882 176.094 -0.207 0.000 1.044 201 V CA 0.186 62.393 62.300 -0.156 0.000 1.026 201 V CB 1.154 32.886 31.823 -0.150 0.000 0.981 201 V HN 0.766 nan 8.190 nan 0.000 0.480 202 G N 2.202 110.889 108.800 -0.188 0.000 3.013 202 G HA2 0.452 4.412 3.960 0.000 0.000 0.278 202 G HA3 0.452 4.412 3.960 0.000 0.000 0.278 202 G C -0.039 174.752 174.900 -0.182 0.000 1.353 202 G CA -0.555 44.382 45.100 -0.271 0.000 1.043 202 G HN 0.607 nan 8.290 nan 0.000 0.523 203 Y N -0.593 119.683 120.300 -0.040 0.000 2.403 203 Y HA -0.107 4.443 4.550 0.000 0.000 0.291 203 Y C 2.267 178.155 175.900 -0.021 0.000 1.143 203 Y CA 0.825 58.910 58.100 -0.026 0.000 1.257 203 Y CB 0.289 38.742 38.460 -0.012 0.000 0.984 203 Y HN 0.291 nan 8.280 nan 0.000 0.550 204 D N -0.196 120.265 120.400 0.101 0.000 2.310 204 D HA -0.130 4.510 4.640 0.000 0.000 0.212 204 D C 1.091 177.403 176.300 0.021 0.000 0.965 204 D CA 1.065 55.095 54.000 0.050 0.000 0.879 204 D CB -0.263 40.550 40.800 0.022 0.000 0.921 204 D HN 0.441 nan 8.370 nan 0.000 0.510 205 D N -0.077 120.325 120.400 0.003 0.000 2.340 205 D HA 0.044 4.684 4.640 0.000 0.000 0.220 205 D C 0.539 176.843 176.300 0.007 0.000 1.039 205 D CA -0.055 53.930 54.000 -0.024 0.000 0.866 205 D CB 0.863 41.624 40.800 -0.065 0.000 0.913 205 D HN 0.255 nan 8.370 nan 0.000 0.523 206 I N 0.366 120.963 120.570 0.045 0.000 2.355 206 I HA 0.460 4.630 4.170 0.000 0.000 0.288 206 I C -0.094 176.056 176.117 0.056 0.000 0.999 206 I CA -0.410 60.926 61.300 0.060 0.000 1.163 206 I CB 1.624 39.673 38.000 0.082 0.000 1.316 206 I HN -0.189 nan 8.210 nan 0.000 0.454 207 G N 4.094 112.925 108.800 0.053 0.000 2.417 207 G HA2 0.502 4.462 3.960 0.000 0.000 0.334 207 G HA3 0.502 4.462 3.960 0.000 0.000 0.334 207 G C 0.468 175.388 174.900 0.033 0.000 1.150 207 G CA -0.513 44.613 45.100 0.043 0.000 0.923 207 G HN 1.498 nan 8.290 nan 0.000 0.485 208 G N -1.238 107.576 108.800 0.024 0.000 2.323 208 G HA2 -0.238 3.722 3.960 0.000 0.000 0.292 208 G HA3 -0.238 3.722 3.960 0.000 0.000 0.292 208 G C 0.514 175.420 174.900 0.009 0.000 1.040 208 G CA 0.497 45.606 45.100 0.015 0.000 0.942 208 G HN 1.100 nan 8.290 nan 0.000 0.506 209 C N -0.824 118.481 119.300 0.007 0.000 3.489 209 C HA 0.309 4.769 4.460 0.000 0.000 0.264 209 C C 2.219 177.202 174.990 -0.011 0.000 2.026 209 C CA -0.274 58.744 59.018 0.000 0.000 1.705 209 C CB -0.492 27.254 27.740 0.010 0.000 3.389 209 C HN 0.703 nan 8.230 nan 0.000 0.459 210 R N 1.474 121.967 120.500 -0.011 0.000 2.094 210 R HA -0.201 4.139 4.340 0.000 0.000 0.239 210 R C 2.218 178.503 176.300 -0.026 0.000 1.137 210 R CA 1.573 57.660 56.100 -0.022 0.000 0.943 210 R CB -0.114 30.178 30.300 -0.013 0.000 0.850 210 R HN 0.481 nan 8.270 nan 0.000 0.433 211 K N 0.581 120.972 120.400 -0.015 0.000 2.063 211 K HA -0.238 4.082 4.320 0.000 0.000 0.208 211 K C 2.059 178.652 176.600 -0.012 0.000 1.048 211 K CA 1.803 58.084 56.287 -0.011 0.000 0.928 211 K CB 0.112 32.609 32.500 -0.005 0.000 0.713 211 K HN 0.144 nan 8.250 nan 0.000 0.442 212 Q N 0.333 120.123 119.800 -0.016 0.000 2.137 212 Q HA -0.017 4.323 4.340 0.000 0.000 0.198 212 Q C 2.057 178.046 176.000 -0.018 0.000 0.960 212 Q CA 0.910 56.706 55.803 -0.012 0.000 0.847 212 Q CB -0.007 28.722 28.738 -0.015 0.000 0.915 212 Q HN 0.243 nan 8.270 nan 0.000 0.448 213 L N 0.071 121.265 121.223 -0.048 0.000 2.083 213 L HA -0.188 4.152 4.340 0.000 0.000 0.209 213 L C 2.347 179.142 176.870 -0.125 0.000 1.083 213 L CA 1.086 55.854 54.840 -0.119 0.000 0.752 213 L CB -0.651 41.293 42.059 -0.191 0.000 0.899 213 L HN 0.241 nan 8.230 nan 0.000 0.433 214 A N -0.444 122.330 122.820 -0.077 0.000 1.883 214 A HA -0.266 4.054 4.320 0.000 0.000 0.217 214 A C 2.252 179.830 177.584 -0.011 0.000 1.186 214 A CA 1.688 53.698 52.037 -0.045 0.000 0.624 214 A CB -0.490 18.495 19.000 -0.025 0.000 0.822 214 A HN 0.482 nan 8.150 nan 0.000 0.444 215 Q N -0.769 119.032 119.800 0.003 0.000 2.084 215 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 215 Q C 2.047 178.072 176.000 0.041 0.000 0.978 215 Q CA 1.540 57.361 55.803 0.029 0.000 0.844 215 Q CB -0.304 28.454 28.738 0.033 0.000 0.898 215 Q HN 0.744 nan 8.270 nan 0.000 0.426 216 I N 0.693 121.282 120.570 0.031 0.000 2.252 216 I HA -0.272 3.898 4.170 0.000 0.000 0.245 216 I C 2.178 178.329 176.117 0.056 0.000 1.102 216 I CA 1.184 62.518 61.300 0.058 0.000 1.385 216 I CB -0.111 37.934 38.000 0.076 0.000 1.064 216 I HN 0.091 nan 8.210 nan 0.000 0.414 217 K N 0.362 120.769 120.400 0.013 0.000 2.147 217 K HA -0.184 4.136 4.320 0.000 0.000 0.205 217 K C 1.954 178.602 176.600 0.080 0.000 1.049 217 K CA 1.253 57.560 56.287 0.033 0.000 0.936 217 K CB -0.086 32.400 32.500 -0.024 0.000 0.722 217 K HN 0.407 nan 8.250 nan 0.000 0.446 218 E N 0.274 120.521 120.200 0.079 0.000 2.046 218 E HA -0.100 4.250 4.350 0.000 0.000 0.190 218 E C 1.893 178.577 176.600 0.140 0.000 0.982 218 E CA 1.174 57.650 56.400 0.126 0.000 0.800 218 E CB 0.079 29.842 29.700 0.105 0.000 0.756 218 E HN 0.241 nan 8.360 nan 0.000 0.449 219 M N -0.433 119.216 119.600 0.081 0.000 2.501 219 M HA -0.030 4.450 4.480 0.000 0.000 0.261 219 M C 1.677 177.976 176.300 -0.002 0.000 1.129 219 M CA 0.511 55.829 55.300 0.029 0.000 1.126 219 M CB 0.816 33.435 32.600 0.031 0.000 1.359 219 M HN -0.017 nan 8.290 nan 0.000 0.471 220 V N -1.673 118.269 119.914 0.046 0.000 2.840 220 V HA 0.044 4.164 4.120 0.000 0.000 0.234 220 V C 1.893 178.031 176.094 0.073 0.000 1.159 220 V CA 0.788 63.121 62.300 0.056 0.000 1.194 220 V CB -0.387 31.502 31.823 0.110 0.000 0.971 220 V HN 0.158 nan 8.190 nan 0.000 0.494 221 E N 0.755 121.018 120.200 0.105 0.000 2.047 221 E HA -0.170 4.180 4.350 0.000 0.000 0.191 221 E C 1.959 178.635 176.600 0.127 0.000 0.987 221 E CA 1.262 57.733 56.400 0.117 0.000 0.799 221 E CB -0.432 29.346 29.700 0.129 0.000 0.752 221 E HN 0.318 nan 8.360 nan 0.000 0.449 222 L N 0.595 121.922 121.223 0.173 0.000 2.012 222 L HA -0.085 4.255 4.340 0.000 0.000 0.210 222 L C -1.077 175.999 176.870 0.344 0.000 1.073 222 L CA 1.968 56.982 54.840 0.290 0.000 0.748 222 L CB -1.154 41.118 42.059 0.356 0.000 0.891 222 L HN 0.184 nan 8.230 nan 0.000 0.431 223 P HA -0.061 nan 4.420 nan 0.000 0.225 223 P C 1.905 179.224 177.300 0.032 0.000 1.156 223 P CA 1.176 64.241 63.100 -0.058 0.000 0.787 223 P CB 0.095 31.484 31.700 -0.519 0.000 0.802 224 L N -1.311 119.934 121.223 0.035 0.000 2.162 224 L HA 0.041 4.382 4.340 0.000 0.000 0.205 224 L C 2.625 179.481 176.870 -0.024 0.000 1.086 224 L CA 0.910 55.763 54.840 0.022 0.000 0.778 224 L CB -0.369 41.712 42.059 0.037 0.000 0.928 224 L HN -0.159 nan 8.230 nan 0.000 0.446 225 R N -0.768 119.709 120.500 -0.038 0.000 2.100 225 R HA 0.055 4.395 4.340 0.000 0.000 0.220 225 R C 0.309 176.368 176.300 -0.403 0.000 1.091 225 R CA 0.840 56.806 56.100 -0.223 0.000 0.986 225 R CB 0.003 30.152 30.300 -0.252 0.000 0.888 225 R HN 0.377 nan 8.270 nan 0.000 0.444 226 H N 0.501 119.637 119.070 0.110 0.000 2.336 226 H HA 0.204 4.760 4.556 0.000 0.000 0.230 226 H C -1.780 173.670 175.328 0.203 0.000 1.426 226 H CA -1.795 54.325 56.048 0.121 0.000 1.359 226 H CB 1.280 31.106 29.762 0.107 0.000 1.555 226 H HN 0.044 nan 8.280 nan 0.000 0.512 227 P HA -0.116 nan 4.420 nan 0.000 0.220 227 P C 1.562 179.025 177.300 0.273 0.000 1.148 227 P CA 0.904 64.162 63.100 0.263 0.000 0.803 227 P CB 0.350 32.148 31.700 0.164 0.000 0.782 228 A N 0.326 123.264 122.820 0.196 0.000 1.948 228 A HA -0.185 4.136 4.320 0.000 0.000 0.220 228 A C 2.401 180.052 177.584 0.111 0.000 1.177 228 A CA 1.411 53.532 52.037 0.139 0.000 0.636 228 A CB -1.662 17.403 19.000 0.109 0.000 0.815 228 A HN 0.155 nan 8.150 nan 0.000 0.449 229 L N -2.103 119.180 121.223 0.100 0.000 2.012 229 L HA -0.198 4.142 4.340 0.000 0.000 0.210 229 L C 2.516 179.305 176.870 -0.135 0.000 1.073 229 L CA 1.711 56.504 54.840 -0.077 0.000 0.748 229 L CB -0.415 41.508 42.059 -0.226 0.000 0.891 229 L HN 0.474 nan 8.230 nan 0.000 0.431 230 F N -0.724 119.258 119.950 0.054 0.000 2.163 230 F HA -0.157 4.370 4.527 0.000 0.000 0.297 230 F C 2.583 178.410 175.800 0.045 0.000 1.094 230 F CA 0.944 58.973 58.000 0.048 0.000 1.290 230 F CB -0.367 38.665 39.000 0.053 0.000 1.017 230 F HN -0.126 nan 8.300 nan 0.000 0.483 231 K N 0.779 121.321 120.400 0.237 0.000 2.057 231 K HA -0.091 4.229 4.320 0.000 0.000 0.207 231 K C 2.201 178.855 176.600 0.090 0.000 1.049 231 K CA 1.310 57.684 56.287 0.146 0.000 0.931 231 K CB -0.668 31.913 32.500 0.134 0.000 0.714 231 K HN 0.248 nan 8.250 nan 0.000 0.440 232 A N 0.792 123.650 122.820 0.064 0.000 1.898 232 A HA -0.089 4.231 4.320 0.000 0.000 0.216 232 A C 2.270 179.862 177.584 0.014 0.000 1.181 232 A CA 1.142 53.196 52.037 0.028 0.000 0.620 232 A CB -0.444 18.562 19.000 0.009 0.000 0.819 232 A HN 0.325 nan 8.150 nan 0.000 0.442 233 I N -1.284 119.285 120.570 -0.001 0.000 2.493 233 I HA 0.042 4.212 4.170 0.000 0.000 0.254 233 I C 1.324 177.456 176.117 0.025 0.000 1.160 233 I CA 1.298 62.592 61.300 -0.010 0.000 1.445 233 I CB 0.115 38.081 38.000 -0.057 0.000 1.086 233 I HN 0.498 nan 8.210 nan 0.000 0.433 234 G N 0.720 109.552 108.800 0.054 0.000 2.226 234 G HA2 -0.141 3.819 3.960 0.000 0.000 0.176 234 G HA3 -0.141 3.819 3.960 0.000 0.000 0.176 234 G C -0.416 174.535 174.900 0.086 0.000 1.042 234 G CA -0.070 45.067 45.100 0.063 0.000 0.732 234 G HN 0.207 nan 8.290 nan 0.000 0.494 235 V N -0.057 119.933 119.914 0.127 0.000 2.760 235 V HA 0.519 4.639 4.120 0.000 0.000 0.309 235 V C 0.244 176.450 176.094 0.187 0.000 1.077 235 V CA -1.133 61.265 62.300 0.162 0.000 0.910 235 V CB 2.053 33.992 31.823 0.192 0.000 1.008 235 V HN 0.350 nan 8.190 nan 0.000 0.424 236 K N 5.636 126.111 120.400 0.125 0.000 2.249 236 K HA 0.432 4.752 4.320 0.000 0.000 0.280 236 K C -2.408 174.184 176.600 -0.014 0.000 1.033 236 K CA -1.267 55.053 56.287 0.056 0.000 0.946 236 K CB 0.855 33.375 32.500 0.034 0.000 1.005 236 K HN 0.418 nan 8.250 nan 0.000 0.469 237 P HA 0.211 nan 4.420 nan 0.000 0.280 237 P C -2.629 174.515 177.300 -0.259 0.000 1.244 237 P CA -1.596 61.279 63.100 -0.375 0.000 0.784 237 P CB 0.290 31.627 31.700 -0.605 0.000 0.913 238 P HA 0.102 nan 4.420 nan 0.000 0.268 238 P C 0.789 177.956 177.300 -0.221 0.000 1.204 238 P CA -0.015 62.952 63.100 -0.222 0.000 0.768 238 P CB 0.440 32.049 31.700 -0.152 0.000 0.842 239 R N 1.849 122.200 120.500 -0.248 0.000 2.437 239 R HA 0.322 4.662 4.340 0.000 0.000 0.257 239 R C 0.197 176.330 176.300 -0.278 0.000 0.927 239 R CA -0.113 55.847 56.100 -0.234 0.000 1.078 239 R CB 0.355 30.523 30.300 -0.220 0.000 1.161 239 R HN 0.469 nan 8.270 nan 0.000 0.529 240 G N 1.589 110.207 108.800 -0.305 0.000 2.744 240 G HA2 0.570 4.530 3.960 0.000 0.000 0.286 240 G HA3 0.570 4.530 3.960 0.000 0.000 0.286 240 G C -1.546 173.314 174.900 -0.066 0.000 1.497 240 G CA -0.510 44.338 45.100 -0.419 0.000 1.070 240 G HN 0.042 nan 8.290 nan 0.000 0.539 241 I N 1.978 122.625 120.570 0.129 0.000 2.436 241 I HA 0.440 4.610 4.170 0.000 0.000 0.289 241 I C -0.569 175.699 176.117 0.251 0.000 1.010 241 I CA -0.827 60.578 61.300 0.176 0.000 1.098 241 I CB 2.140 40.197 38.000 0.095 0.000 1.266 241 I HN 0.391 nan 8.210 nan 0.000 0.434 242 L N 7.662 129.007 121.223 0.204 0.000 2.298 242 L HA 0.600 4.940 4.340 0.000 0.000 0.284 242 L C -1.160 175.800 176.870 0.150 0.000 1.013 242 L CA -0.197 54.690 54.840 0.079 0.000 0.824 242 L CB 0.804 42.861 42.059 -0.003 0.000 1.221 242 L HN 0.402 nan 8.230 nan 0.000 0.418 243 L N 6.435 127.716 121.223 0.098 0.000 2.290 243 L HA 0.464 4.804 4.340 0.000 0.000 0.284 243 L C -0.699 176.268 176.870 0.162 0.000 1.078 243 L CA -0.672 54.241 54.840 0.122 0.000 0.815 243 L CB 0.387 42.524 42.059 0.130 0.000 1.162 243 L HN 0.695 nan 8.230 nan 0.000 0.435 244 Y N 0.898 121.208 120.300 0.017 0.000 2.581 244 Y HA 0.975 5.525 4.550 0.000 0.000 0.345 244 Y C -0.102 175.809 175.900 0.018 0.000 1.036 244 Y CA -0.884 57.221 58.100 0.007 0.000 1.042 244 Y CB 2.251 40.706 38.460 -0.008 0.000 1.289 244 Y HN 0.695 nan 8.280 nan 0.000 0.471 245 G N 0.795 109.611 108.800 0.026 0.000 2.321 245 G HA2 0.405 4.365 3.960 0.000 0.000 0.298 245 G HA3 0.405 4.365 3.960 0.000 0.000 0.298 245 G C -3.545 171.375 174.900 0.032 0.000 1.385 245 G CA -1.304 43.771 45.100 -0.042 0.000 0.856 245 G HN 0.502 nan 8.290 nan 0.000 0.584 246 P HA 0.294 nan 4.420 nan 0.000 0.271 246 P C -2.448 174.856 177.300 0.007 0.000 1.233 246 P CA -0.774 62.333 63.100 0.011 0.000 0.789 246 P CB -0.025 31.670 31.700 -0.008 0.000 0.951 247 P HA 0.065 nan 4.420 nan 0.000 0.264 247 P C 0.703 178.000 177.300 -0.005 0.000 1.193 247 P CA 1.315 64.417 63.100 0.003 0.000 0.763 247 P CB -0.085 31.613 31.700 -0.004 0.000 0.810 248 G N 2.265 111.067 108.800 0.003 0.000 2.137 248 G HA2 -0.268 3.693 3.960 0.000 0.000 0.237 248 G HA3 -0.268 3.693 3.960 0.000 0.000 0.237 248 G C 0.787 175.688 174.900 0.002 0.000 1.002 248 G CA 0.522 45.622 45.100 0.001 0.000 0.702 248 G HN 0.594 nan 8.290 nan 0.000 0.515 249 T N -3.310 111.246 114.554 0.004 0.000 3.054 249 T HA 0.451 4.801 4.350 0.000 0.000 0.259 249 T C 1.968 176.676 174.700 0.014 0.000 1.092 249 T CA 1.513 63.614 62.100 0.001 0.000 1.121 249 T CB 0.603 69.463 68.868 -0.015 0.000 0.912 249 T HN 2.065 nan 8.240 nan 0.000 0.489 250 G N 0.990 109.804 108.800 0.024 0.000 2.215 250 G HA2 -0.107 3.853 3.960 0.000 0.000 0.187 250 G HA3 -0.107 3.853 3.960 0.000 0.000 0.187 250 G C 0.578 175.502 174.900 0.041 0.000 1.039 250 G CA 0.041 45.160 45.100 0.033 0.000 0.771 250 G HN 0.445 nan 8.290 nan 0.000 0.507 251 K N -0.059 120.375 120.400 0.056 0.000 2.001 251 K HA -0.008 4.312 4.320 0.000 0.000 0.208 251 K C 2.495 179.144 176.600 0.081 0.000 1.048 251 K CA 1.875 58.225 56.287 0.105 0.000 0.932 251 K CB -0.277 32.304 32.500 0.136 0.000 0.715 251 K HN 0.222 nan 8.250 nan 0.000 0.437 252 T N 1.981 116.558 114.554 0.040 0.000 2.821 252 T HA -0.106 4.244 4.350 0.000 0.000 0.267 252 T C 1.786 176.424 174.700 -0.102 0.000 1.046 252 T CA 0.876 62.950 62.100 -0.043 0.000 1.139 252 T CB -0.194 68.667 68.868 -0.011 0.000 0.871 252 T HN 0.071 nan 8.240 nan 0.000 0.454 253 L N 0.855 122.050 121.223 -0.046 0.000 2.042 253 L HA 0.001 4.342 4.340 0.000 0.000 0.210 253 L C 2.148 178.977 176.870 -0.068 0.000 1.076 253 L CA 1.550 56.359 54.840 -0.051 0.000 0.749 253 L CB -0.439 41.617 42.059 -0.004 0.000 0.893 253 L HN 0.253 nan 8.230 nan 0.000 0.432 254 I N -0.745 119.810 120.570 -0.025 0.000 2.226 254 I HA -0.300 3.870 4.170 0.000 0.000 0.245 254 I C 2.590 178.654 176.117 -0.089 0.000 1.100 254 I CA 1.112 62.423 61.300 0.018 0.000 1.374 254 I CB -0.592 37.469 38.000 0.102 0.000 1.057 254 I HN 0.360 nan 8.210 nan 0.000 0.413 255 A N 0.871 123.517 122.820 -0.291 0.000 1.908 255 A HA -0.207 4.113 4.320 0.000 0.000 0.218 255 A C 2.357 179.621 177.584 -0.533 0.000 1.181 255 A CA 1.479 53.100 52.037 -0.693 0.000 0.627 255 A CB -0.442 17.716 19.000 -1.403 0.000 0.818 255 A HN 0.261 nan 8.150 nan 0.000 0.445 256 R N -0.395 119.867 120.500 -0.397 0.000 2.092 256 R HA -0.007 4.333 4.340 0.000 0.000 0.231 256 R C 2.406 178.472 176.300 -0.391 0.000 1.119 256 R CA 1.338 57.210 56.100 -0.380 0.000 0.970 256 R CB -1.192 28.958 30.300 -0.250 0.000 0.864 256 R HN 0.537 nan 8.270 nan 0.000 0.440 257 A N 0.903 123.539 122.820 -0.306 0.000 1.873 257 A HA -0.097 4.223 4.320 0.000 0.000 0.215 257 A C 2.512 179.802 177.584 -0.490 0.000 1.186 257 A CA 1.502 53.321 52.037 -0.362 0.000 0.616 257 A CB -0.690 18.169 19.000 -0.234 0.000 0.823 257 A HN 0.073 nan 8.150 nan 0.000 0.442 258 V N 0.065 119.802 119.914 -0.294 0.000 2.255 258 V HA -0.310 3.810 4.120 0.000 0.000 0.247 258 V C 3.099 178.944 176.094 -0.416 0.000 1.051 258 V CA 2.141 64.343 62.300 -0.162 0.000 1.018 258 V CB -1.384 30.521 31.823 0.136 0.000 0.641 258 V HN 0.641 nan 8.190 nan 0.000 0.445 259 A N 0.290 122.542 122.820 -0.946 0.000 1.927 259 A HA -0.350 3.970 4.320 0.000 0.000 0.220 259 A C 1.974 179.202 177.584 -0.593 0.000 1.185 259 A CA 2.788 54.019 52.037 -1.344 0.000 0.639 259 A CB -0.929 17.125 19.000 -1.576 0.000 0.820 259 A HN 0.753 nan 8.150 nan 0.000 0.451 260 N N -1.192 117.228 118.700 -0.467 0.000 2.415 260 N HA -0.013 4.727 4.740 0.000 0.000 0.176 260 N C 1.309 176.657 175.510 -0.270 0.000 1.042 260 N CA 0.678 53.537 53.050 -0.318 0.000 0.902 260 N CB 0.104 38.418 38.487 -0.288 0.000 0.986 260 N HN 0.460 nan 8.380 nan 0.000 0.447 261 E N 0.352 120.349 120.200 -0.337 0.000 2.452 261 E HA 0.006 4.356 4.350 0.000 0.000 0.197 261 E C 0.416 176.966 176.600 -0.084 0.000 1.022 261 E CA 0.376 56.601 56.400 -0.292 0.000 0.890 261 E CB 0.497 29.771 29.700 -0.710 0.000 0.918 261 E HN 0.351 nan 8.360 nan 0.000 0.496 262 T N -2.727 111.799 114.554 -0.046 0.000 2.922 262 T HA 0.408 4.758 4.350 0.000 0.000 0.285 262 T C 1.295 176.028 174.700 0.056 0.000 1.005 262 T CA -0.249 61.885 62.100 0.057 0.000 1.061 262 T CB 1.911 70.851 68.868 0.120 0.000 1.007 262 T HN -0.044 nan 8.240 nan 0.000 0.502 263 G N 0.915 109.757 108.800 0.071 0.000 2.443 263 G HA2 0.285 4.245 3.960 0.000 0.000 0.219 263 G HA3 0.285 4.245 3.960 0.000 0.000 0.219 263 G C 0.769 175.723 174.900 0.091 0.000 1.131 263 G CA 0.204 45.343 45.100 0.064 0.000 0.775 263 G HN 1.218 nan 8.290 nan 0.000 0.547 264 A N -0.041 122.849 122.820 0.116 0.000 2.445 264 A HA 0.472 4.793 4.320 0.000 0.000 0.242 264 A C -0.176 177.546 177.584 0.230 0.000 1.075 264 A CA -0.681 51.453 52.037 0.162 0.000 0.777 264 A CB 0.085 19.182 19.000 0.161 0.000 1.013 264 A HN 0.384 nan 8.150 nan 0.000 0.493 265 F N 1.775 121.785 119.950 0.101 0.000 2.578 265 F HA 0.409 4.936 4.527 0.000 0.000 0.376 265 F C -0.483 175.442 175.800 0.209 0.000 1.085 265 F CA 0.026 58.106 58.000 0.134 0.000 1.260 265 F CB 0.098 39.155 39.000 0.095 0.000 1.095 265 F HN 0.429 nan 8.300 nan 0.000 0.573 266 F N 7.634 127.186 119.950 -0.664 0.000 2.482 266 F HA 0.499 5.026 4.527 0.000 0.000 0.331 266 F C -1.746 173.661 175.800 -0.656 0.000 1.115 266 F CA -0.948 56.766 58.000 -0.476 0.000 0.955 266 F CB 0.995 39.841 39.000 -0.257 0.000 1.136 266 F HN 0.403 nan 8.300 nan 0.000 0.452 267 F N 7.456 126.939 119.950 -0.778 0.000 2.499 267 F HA 0.524 5.051 4.527 0.000 0.000 0.333 267 F C -1.602 173.973 175.800 -0.375 0.000 1.138 267 F CA -0.971 56.752 58.000 -0.462 0.000 0.945 267 F CB 1.305 40.125 39.000 -0.300 0.000 1.181 267 F HN 0.382 nan 8.300 nan 0.000 0.435 268 L N 7.104 128.166 121.223 -0.268 0.000 2.289 268 L HA 0.634 4.974 4.340 0.000 0.000 0.285 268 L C -1.153 175.720 176.870 0.005 0.000 1.049 268 L CA -0.119 54.715 54.840 -0.010 0.000 0.804 268 L CB 0.834 42.945 42.059 0.087 0.000 1.195 268 L HN 0.502 nan 8.230 nan 0.000 0.428 269 I N 4.943 125.614 120.570 0.169 0.000 2.447 269 I HA 0.359 4.529 4.170 0.000 0.000 0.287 269 I C -0.740 175.472 176.117 0.159 0.000 1.023 269 I CA -0.691 60.721 61.300 0.186 0.000 1.083 269 I CB 1.520 39.663 38.000 0.238 0.000 1.245 269 I HN 0.552 nan 8.210 nan 0.000 0.434 270 N N 4.476 123.245 118.700 0.115 0.000 2.434 270 N HA 0.202 4.942 4.740 0.000 0.000 0.272 270 N C 1.058 176.620 175.510 0.087 0.000 1.040 270 N CA -0.050 53.061 53.050 0.101 0.000 0.956 270 N CB 2.027 40.555 38.487 0.069 0.000 1.108 270 N HN 0.834 nan 8.380 nan 0.000 0.481 271 G N 3.598 112.445 108.800 0.079 0.000 2.599 271 G HA2 -0.238 3.723 3.960 0.000 0.000 0.219 271 G HA3 -0.238 3.723 3.960 0.000 0.000 0.219 271 G C -0.954 173.975 174.900 0.048 0.000 1.193 271 G CA 0.995 46.130 45.100 0.058 0.000 0.778 271 G HN 0.495 nan 8.290 nan 0.000 0.589 272 P HA -0.004 nan 4.420 nan 0.000 0.219 272 P C 1.718 179.040 177.300 0.036 0.000 1.150 272 P CA 1.016 64.136 63.100 0.034 0.000 0.814 272 P CB 0.066 31.783 31.700 0.029 0.000 0.787 273 E N -0.303 119.922 120.200 0.042 0.000 2.153 273 E HA -0.153 4.197 4.350 0.000 0.000 0.194 273 E C 1.813 178.443 176.600 0.051 0.000 0.988 273 E CA 0.998 57.423 56.400 0.043 0.000 0.811 273 E CB -0.325 29.402 29.700 0.045 0.000 0.746 273 E HN 0.131 nan 8.360 nan 0.000 0.466 274 I N 0.605 121.211 120.570 0.059 0.000 2.235 274 I HA -0.205 3.966 4.170 0.000 0.000 0.241 274 I C 2.188 178.332 176.117 0.046 0.000 1.085 274 I CA 0.755 62.092 61.300 0.062 0.000 1.378 274 I CB -0.785 37.260 38.000 0.075 0.000 1.076 274 I HN 0.162 nan 8.210 nan 0.000 0.415 275 M N 0.688 120.312 119.600 0.039 0.000 2.632 275 M HA -0.061 4.419 4.480 0.000 0.000 0.256 275 M C 2.228 178.543 176.300 0.025 0.000 1.080 275 M CA 0.894 56.212 55.300 0.030 0.000 1.084 275 M CB -1.530 31.085 32.600 0.026 0.000 1.439 275 M HN 0.317 nan 8.290 nan 0.000 0.509 276 S N -0.869 114.847 115.700 0.027 0.000 2.496 276 S HA 0.053 4.523 4.470 0.000 0.000 0.224 276 S C 0.862 175.476 174.600 0.023 0.000 0.996 276 S CA 0.000 58.214 58.200 0.023 0.000 0.927 276 S CB 0.147 63.361 63.200 0.023 0.000 0.774 276 S HN 0.323 nan 8.310 nan 0.000 0.524 277 K N 0.869 121.286 120.400 0.027 0.000 2.098 277 K HA 0.485 4.805 4.320 0.000 0.000 0.257 277 K C -0.210 176.404 176.600 0.023 0.000 0.999 277 K CA -0.620 55.683 56.287 0.027 0.000 0.924 277 K CB 0.766 33.286 32.500 0.035 0.000 1.028 277 K HN 0.184 nan 8.250 nan 0.000 0.466 278 L N 2.024 123.260 121.223 0.021 0.000 2.529 278 L HA -0.069 4.271 4.340 0.000 0.000 0.287 278 L C 0.242 177.122 176.870 0.017 0.000 1.241 278 L CA -0.158 54.693 54.840 0.017 0.000 0.857 278 L CB 0.328 42.396 42.059 0.016 0.000 1.113 278 L HN 0.756 nan 8.230 nan 0.000 0.504 279 A N 2.853 125.682 122.820 0.014 0.000 2.548 279 A HA 0.376 4.696 4.320 0.000 0.000 0.247 279 A C 1.201 178.792 177.584 0.012 0.000 1.067 279 A CA 0.650 52.695 52.037 0.012 0.000 0.757 279 A CB -0.382 18.625 19.000 0.010 0.000 0.996 279 A HN 1.142 nan 8.150 nan 0.000 0.504 280 G N 1.358 110.165 108.800 0.011 0.000 2.812 280 G HA2 -0.326 3.634 3.960 0.000 0.000 0.219 280 G HA3 -0.326 3.634 3.960 0.000 0.000 0.219 280 G C 1.200 176.108 174.900 0.014 0.000 1.275 280 G CA 0.709 45.814 45.100 0.009 0.000 0.769 280 G HN 0.836 nan 8.290 nan 0.000 0.527 281 E N 1.470 121.681 120.200 0.018 0.000 2.267 281 E HA -0.139 4.211 4.350 0.000 0.000 0.197 281 E C 2.630 179.250 176.600 0.033 0.000 0.998 281 E CA 2.013 58.428 56.400 0.025 0.000 0.830 281 E CB -0.161 29.554 29.700 0.025 0.000 0.751 281 E HN 0.736 nan 8.360 nan 0.000 0.491 282 S N 0.207 115.925 115.700 0.031 0.000 2.362 282 S HA -0.117 4.353 4.470 0.000 0.000 0.221 282 S C 1.807 176.428 174.600 0.036 0.000 1.032 282 S CA 0.845 59.068 58.200 0.038 0.000 0.973 282 S CB -0.263 62.957 63.200 0.034 0.000 0.849 282 S HN 0.170 nan 8.310 nan 0.000 0.465 283 E N 1.668 121.880 120.200 0.020 0.000 2.118 283 E HA -0.096 4.254 4.350 0.000 0.000 0.195 283 E C 2.257 178.863 176.600 0.009 0.000 0.992 283 E CA 1.166 57.570 56.400 0.006 0.000 0.804 283 E CB -0.354 29.342 29.700 -0.006 0.000 0.741 283 E HN 0.570 nan 8.360 nan 0.000 0.458 284 S N 0.304 116.015 115.700 0.019 0.000 2.356 284 S HA -0.208 4.263 4.470 0.000 0.000 0.223 284 S C 1.684 176.310 174.600 0.044 0.000 1.032 284 S CA 1.780 59.995 58.200 0.024 0.000 1.005 284 S CB -0.346 62.870 63.200 0.025 0.000 0.867 284 S HN 0.300 nan 8.310 nan 0.000 0.449 285 N N 0.565 119.303 118.700 0.063 0.000 2.223 285 N HA 0.004 4.744 4.740 0.000 0.000 0.185 285 N C 1.831 177.412 175.510 0.118 0.000 1.016 285 N CA 1.184 54.294 53.050 0.100 0.000 0.863 285 N CB -0.206 38.349 38.487 0.114 0.000 0.983 285 N HN 0.334 nan 8.380 nan 0.000 0.429 286 L N 0.935 122.216 121.223 0.097 0.000 2.046 286 L HA -0.131 4.209 4.340 0.000 0.000 0.208 286 L C 2.485 179.421 176.870 0.112 0.000 1.077 286 L CA 1.173 56.083 54.840 0.117 0.000 0.747 286 L CB -0.175 41.911 42.059 0.045 0.000 0.896 286 L HN 0.202 nan 8.230 nan 0.000 0.432 287 R N -0.264 120.255 120.500 0.032 0.000 2.073 287 R HA -0.214 4.126 4.340 0.000 0.000 0.234 287 R C 2.279 178.609 176.300 0.050 0.000 1.134 287 R CA 1.321 57.431 56.100 0.017 0.000 0.952 287 R CB -0.238 30.055 30.300 -0.012 0.000 0.850 287 R HN 0.058 nan 8.270 nan 0.000 0.433 288 K N 0.915 121.335 120.400 0.033 0.000 2.152 288 K HA -0.088 4.232 4.320 0.000 0.000 0.206 288 K C 1.788 178.319 176.600 -0.116 0.000 1.048 288 K CA 1.540 57.829 56.287 0.002 0.000 0.933 288 K CB -0.311 32.219 32.500 0.050 0.000 0.721 288 K HN 0.183 nan 8.250 nan 0.000 0.447 289 A N -0.394 122.337 122.820 -0.149 0.000 1.858 289 A HA -0.108 4.212 4.320 0.000 0.000 0.216 289 A C 2.108 179.417 177.584 -0.458 0.000 1.190 289 A CA 1.562 53.248 52.037 -0.587 0.000 0.617 289 A CB -0.856 18.037 19.000 -0.178 0.000 0.827 289 A HN 0.324 nan 8.150 nan 0.000 0.443 290 F N 0.060 119.854 119.950 -0.259 0.000 2.163 290 F HA -0.039 4.488 4.527 0.000 0.000 0.297 290 F C 2.443 178.156 175.800 -0.146 0.000 1.094 290 F CA 1.647 59.544 58.000 -0.170 0.000 1.290 290 F CB -0.378 38.558 39.000 -0.106 0.000 1.017 290 F HN 0.301 nan 8.300 nan 0.000 0.483 291 E N -0.276 119.953 120.200 0.048 0.000 2.110 291 E HA -0.256 4.094 4.350 0.000 0.000 0.193 291 E C 1.984 178.542 176.600 -0.070 0.000 0.988 291 E CA 1.420 57.814 56.400 -0.010 0.000 0.804 291 E CB -0.129 29.566 29.700 -0.008 0.000 0.745 291 E HN 0.325 nan 8.360 nan 0.000 0.458 292 E N 0.637 120.758 120.200 -0.132 0.000 2.028 292 E HA -0.145 4.205 4.350 0.000 0.000 0.191 292 E C 1.911 178.430 176.600 -0.135 0.000 0.988 292 E CA 1.290 57.606 56.400 -0.140 0.000 0.799 292 E CB -0.169 29.432 29.700 -0.164 0.000 0.755 292 E HN 0.236 nan 8.360 nan 0.000 0.447 293 A N 0.531 123.290 122.820 -0.101 0.000 1.908 293 A HA -0.247 4.073 4.320 0.000 0.000 0.218 293 A C 2.095 179.650 177.584 -0.048 0.000 1.181 293 A CA 1.871 53.923 52.037 0.025 0.000 0.627 293 A CB -0.647 18.290 19.000 -0.106 0.000 0.818 293 A HN 0.338 nan 8.150 nan 0.000 0.445 294 E N -0.674 119.482 120.200 -0.073 0.000 2.077 294 E HA -0.187 4.164 4.350 0.000 0.000 0.193 294 E C 2.117 178.678 176.600 -0.066 0.000 0.989 294 E CA 1.275 57.646 56.400 -0.048 0.000 0.800 294 E CB -0.069 29.617 29.700 -0.023 0.000 0.746 294 E HN 0.573 nan 8.360 nan 0.000 0.452 295 K N 0.521 120.858 120.400 -0.104 0.000 2.148 295 K HA -0.068 4.252 4.320 0.000 0.000 0.204 295 K C -0.150 176.340 176.600 -0.183 0.000 1.050 295 K CA 0.741 56.953 56.287 -0.124 0.000 0.942 295 K CB 0.071 32.495 32.500 -0.127 0.000 0.724 295 K HN 0.014 nan 8.250 nan 0.000 0.446 296 N N 0.385 118.904 118.700 -0.301 0.000 2.609 296 N HA 0.278 5.018 4.740 0.000 0.000 0.234 296 N C -0.952 174.424 175.510 -0.224 0.000 1.001 296 N CA 0.260 53.045 53.050 -0.442 0.000 0.926 296 N CB 1.522 39.316 38.487 -1.156 0.000 1.130 296 N HN 0.311 nan 8.380 nan 0.000 0.510 297 A N 2.920 125.676 122.820 -0.107 0.000 6.500 297 A HA -0.165 4.155 4.320 0.000 0.000 0.250 297 A C -2.248 175.355 177.584 0.031 0.000 2.143 297 A CA -0.674 51.349 52.037 -0.023 0.000 0.705 297 A CB -1.820 17.186 19.000 0.011 0.000 1.015 297 A HN 0.454 nan 8.150 nan 0.000 0.374 298 P HA 0.413 nan 4.420 nan 0.000 0.262 298 P C -0.220 177.159 177.300 0.131 0.000 1.182 298 P CA 1.369 64.510 63.100 0.068 0.000 0.761 298 P CB 0.270 31.980 31.700 0.016 0.000 0.795 299 A N 3.942 126.842 122.820 0.134 0.000 2.498 299 A HA 0.758 5.078 4.320 0.000 0.000 0.298 299 A C -0.894 176.730 177.584 0.065 0.000 1.075 299 A CA -0.713 51.437 52.037 0.188 0.000 0.714 299 A CB 1.217 20.386 19.000 0.281 0.000 1.299 299 A HN 0.412 nan 8.150 nan 0.000 0.407 300 I N 1.848 122.424 120.570 0.011 0.000 2.406 300 I HA 0.389 4.559 4.170 0.000 0.000 0.290 300 I C -0.811 175.084 176.117 -0.371 0.000 0.999 300 I CA -0.219 61.005 61.300 -0.128 0.000 1.124 300 I CB 1.692 39.685 38.000 -0.012 0.000 1.289 300 I HN 0.470 nan 8.210 nan 0.000 0.441 301 I N 6.047 126.427 120.570 -0.317 0.000 2.321 301 I HA 0.296 4.466 4.170 0.000 0.000 0.291 301 I C -0.847 175.124 176.117 -0.244 0.000 0.998 301 I CA -0.408 60.694 61.300 -0.329 0.000 1.227 301 I CB 1.181 38.929 38.000 -0.419 0.000 1.368 301 I HN 0.434 nan 8.210 nan 0.000 0.466 302 F N 7.579 127.286 119.950 -0.405 0.000 2.388 302 F HA 0.523 5.050 4.527 0.000 0.000 0.358 302 F C -0.139 175.653 175.800 -0.014 0.000 1.122 302 F CA -0.528 57.376 58.000 -0.160 0.000 1.056 302 F CB 0.901 39.848 39.000 -0.087 0.000 1.155 302 F HN 0.259 nan 8.300 nan 0.000 0.461 303 I N 5.385 125.897 120.570 -0.097 0.000 2.287 303 I HA 0.153 4.323 4.170 0.000 0.000 0.290 303 I C -0.442 175.684 176.117 0.015 0.000 1.069 303 I CA -0.427 60.892 61.300 0.030 0.000 1.237 303 I CB 0.406 38.423 38.000 0.027 0.000 1.418 303 I HN 0.448 nan 8.210 nan 0.000 0.481 304 D N 6.376 126.933 120.400 0.261 0.000 2.255 304 D HA 0.116 4.756 4.640 0.000 0.000 0.249 304 D C 0.117 176.500 176.300 0.139 0.000 1.078 304 D CA 0.161 54.347 54.000 0.310 0.000 0.896 304 D CB 0.755 41.770 40.800 0.358 0.000 1.194 304 D HN 0.494 nan 8.370 nan 0.000 0.429 305 E N 1.530 121.792 120.200 0.104 0.000 2.230 305 E HA -0.246 4.104 4.350 0.000 0.000 0.206 305 E C 0.779 177.384 176.600 0.009 0.000 1.309 305 E CA -0.172 56.257 56.400 0.048 0.000 0.697 305 E CB -0.947 28.784 29.700 0.051 0.000 1.146 305 E HN 0.401 nan 8.360 nan 0.000 0.363 306 L N 1.755 122.951 121.223 -0.045 0.000 2.081 306 L HA -0.217 4.123 4.340 0.000 0.000 0.212 306 L C 2.156 178.988 176.870 -0.064 0.000 1.080 306 L CA 2.701 57.485 54.840 -0.094 0.000 0.754 306 L CB -0.294 41.622 42.059 -0.239 0.000 0.893 306 L HN 0.476 nan 8.230 nan 0.000 0.433 307 D N -0.829 119.541 120.400 -0.050 0.000 2.309 307 D HA -0.212 4.428 4.640 0.000 0.000 0.212 307 D C 1.783 178.077 176.300 -0.011 0.000 0.968 307 D CA 1.092 55.073 54.000 -0.031 0.000 0.882 307 D CB -0.060 40.727 40.800 -0.022 0.000 0.918 307 D HN 0.521 nan 8.370 nan 0.000 0.503 308 A N 1.469 124.289 122.820 -0.001 0.000 1.968 308 A HA 0.037 4.357 4.320 0.000 0.000 0.217 308 A C 2.418 180.010 177.584 0.013 0.000 1.169 308 A CA 1.040 53.083 52.037 0.010 0.000 0.638 308 A CB -0.566 18.445 19.000 0.018 0.000 0.812 308 A HN 0.467 nan 8.150 nan 0.000 0.446 309 I N -5.318 115.258 120.570 0.010 0.000 3.708 309 I HA 0.505 4.675 4.170 0.000 0.000 0.302 309 I C 1.053 177.175 176.117 0.008 0.000 1.255 309 I CA 0.719 62.029 61.300 0.016 0.000 1.362 309 I CB 0.603 38.622 38.000 0.031 0.000 1.100 309 I HN 0.101 nan 8.210 nan 0.000 0.434 310 A N 2.756 125.573 122.820 -0.005 0.000 3.248 310 A HA 0.642 4.962 4.320 0.000 0.000 0.315 310 A C -2.731 174.846 177.584 -0.013 0.000 0.974 310 A CA -1.177 50.856 52.037 -0.008 0.000 0.939 310 A CB -0.555 18.438 19.000 -0.012 0.000 1.061 310 A HN 0.152 nan 8.150 nan 0.000 0.481 311 P HA 0.245 nan 4.420 nan 0.000 0.279 311 P C -0.564 176.733 177.300 -0.004 0.000 1.276 311 P CA -0.555 62.543 63.100 -0.004 0.000 0.801 311 P CB 0.561 32.264 31.700 0.006 0.000 1.127 312 K N 1.100 121.497 120.400 -0.005 0.000 2.366 312 K HA -0.007 4.314 4.320 0.000 0.000 0.279 312 K C 1.520 178.115 176.600 -0.008 0.000 1.098 312 K CA 0.378 56.661 56.287 -0.007 0.000 1.087 312 K CB -0.091 32.404 32.500 -0.009 0.000 0.901 312 K HN 0.289 nan 8.250 nan 0.000 0.463 313 R N 2.228 122.723 120.500 -0.008 0.000 2.174 313 R HA -0.262 4.078 4.340 0.000 0.000 0.253 313 R C 1.942 178.229 176.300 -0.021 0.000 1.165 313 R CA 2.144 58.237 56.100 -0.012 0.000 0.984 313 R CB -0.117 30.177 30.300 -0.010 0.000 0.873 313 R HN 0.740 nan 8.270 nan 0.000 0.456 314 E N 0.849 121.036 120.200 -0.022 0.000 2.085 314 E HA -0.230 4.121 4.350 0.000 0.000 0.194 314 E C 0.777 177.350 176.600 -0.045 0.000 0.994 314 E CA 1.239 57.621 56.400 -0.031 0.000 0.801 314 E CB -0.106 29.580 29.700 -0.024 0.000 0.743 314 E HN 0.088 nan 8.360 nan 0.000 0.453 315 K N 0.785 121.165 120.400 -0.033 0.000 2.606 315 K HA 0.181 4.501 4.320 0.000 0.000 0.196 315 K C -1.526 175.070 176.600 -0.007 0.000 1.048 315 K CA -0.133 56.133 56.287 -0.035 0.000 1.017 315 K CB 1.257 33.750 32.500 -0.012 0.000 1.413 315 K HN 0.016 nan 8.250 nan 0.000 0.568 316 T N 0.936 115.473 114.554 -0.029 0.000 3.705 316 T HA 0.174 4.524 4.350 0.000 0.000 0.342 316 T C 0.408 175.122 174.700 0.023 0.000 1.043 316 T CA -0.631 61.492 62.100 0.038 0.000 1.071 316 T CB 0.619 69.507 68.868 0.034 0.000 1.124 316 T HN 0.549 nan 8.240 nan 0.000 0.467 317 H N 2.755 121.824 119.070 -0.002 0.000 2.326 317 H HA 0.112 4.668 4.556 0.000 0.000 0.301 317 H C 1.512 176.839 175.328 -0.001 0.000 1.081 317 H CA 0.993 57.041 56.048 -0.001 0.000 1.334 317 H CB 0.088 29.849 29.762 -0.001 0.000 1.385 317 H HN 0.678 nan 8.280 nan 0.000 0.504 318 G N 0.398 109.272 108.800 0.123 0.000 2.444 318 G HA2 0.047 4.007 3.960 0.000 0.000 0.268 318 G HA3 0.047 4.007 3.960 0.000 0.000 0.268 318 G C 0.521 175.443 174.900 0.036 0.000 1.203 318 G CA -0.382 44.758 45.100 0.066 0.000 0.835 318 G HN 0.332 nan 8.290 nan 0.000 0.543 319 E N 0.658 120.873 120.200 0.025 0.000 2.106 319 E HA -0.134 4.216 4.350 0.000 0.000 0.192 319 E C 2.623 179.229 176.600 0.010 0.000 0.984 319 E CA 0.689 57.096 56.400 0.012 0.000 0.806 319 E CB 0.024 29.729 29.700 0.009 0.000 0.750 319 E HN 0.334 nan 8.360 nan 0.000 0.458 320 V N 1.464 121.386 119.914 0.013 0.000 2.407 320 V HA -0.259 3.862 4.120 0.000 0.000 0.248 320 V C 1.933 178.034 176.094 0.012 0.000 1.055 320 V CA 1.865 64.172 62.300 0.011 0.000 1.049 320 V CB -0.476 31.355 31.823 0.013 0.000 0.662 320 V HN 0.221 nan 8.190 nan 0.000 0.455 321 E N -0.130 120.080 120.200 0.017 0.000 2.072 321 E HA -0.181 4.169 4.350 0.000 0.000 0.191 321 E C 2.493 179.100 176.600 0.012 0.000 0.985 321 E CA 1.048 57.459 56.400 0.018 0.000 0.801 321 E CB -0.164 29.553 29.700 0.029 0.000 0.750 321 E HN 0.499 nan 8.360 nan 0.000 0.452 322 R N 0.275 120.780 120.500 0.009 0.000 2.092 322 R HA -0.024 4.316 4.340 0.000 0.000 0.231 322 R C 2.395 178.693 176.300 -0.004 0.000 1.119 322 R CA 0.916 57.016 56.100 0.000 0.000 0.970 322 R CB -0.080 30.218 30.300 -0.003 0.000 0.864 322 R HN 0.007 nan 8.270 nan 0.000 0.440 323 R N 0.475 120.973 120.500 -0.004 0.000 2.092 323 R HA -0.088 4.252 4.340 0.000 0.000 0.231 323 R C 2.038 178.331 176.300 -0.013 0.000 1.119 323 R CA 1.195 57.289 56.100 -0.009 0.000 0.970 323 R CB -0.149 30.147 30.300 -0.007 0.000 0.864 323 R HN 0.133 nan 8.270 nan 0.000 0.440 324 I N -0.025 120.541 120.570 -0.006 0.000 2.179 324 I HA -0.282 3.888 4.170 0.000 0.000 0.242 324 I C 2.134 178.243 176.117 -0.013 0.000 1.088 324 I CA 1.118 62.413 61.300 -0.007 0.000 1.357 324 I CB -0.090 37.913 38.000 0.006 0.000 1.051 324 I HN -0.039 nan 8.210 nan 0.000 0.409 325 V N -0.504 119.406 119.914 -0.007 0.000 2.332 325 V HA -0.293 3.827 4.120 0.000 0.000 0.248 325 V C 2.472 178.556 176.094 -0.017 0.000 1.055 325 V CA 2.165 64.462 62.300 -0.005 0.000 1.038 325 V CB -0.952 30.870 31.823 -0.001 0.000 0.651 325 V HN 0.374 nan 8.190 nan 0.000 0.450 326 S N -0.441 115.246 115.700 -0.022 0.000 2.368 326 S HA -0.303 4.167 4.470 0.000 0.000 0.225 326 S C 2.045 176.613 174.600 -0.053 0.000 1.030 326 S CA 1.900 60.081 58.200 -0.031 0.000 0.999 326 S CB -0.383 62.801 63.200 -0.027 0.000 0.844 326 S HN 0.662 nan 8.310 nan 0.000 0.459 327 Q N 1.146 120.911 119.800 -0.059 0.000 2.096 327 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 327 Q C 2.002 177.911 176.000 -0.151 0.000 0.982 327 Q CA 1.434 57.182 55.803 -0.092 0.000 0.850 327 Q CB -0.595 28.099 28.738 -0.072 0.000 0.901 327 Q HN 0.449 nan 8.270 nan 0.000 0.422 328 L N -0.471 120.680 121.223 -0.121 0.000 2.027 328 L HA -0.043 4.297 4.340 0.000 0.000 0.206 328 L C 2.068 178.853 176.870 -0.142 0.000 1.074 328 L CA 1.602 56.352 54.840 -0.150 0.000 0.745 328 L CB -0.669 41.372 42.059 -0.030 0.000 0.898 328 L HN 0.399 nan 8.230 nan 0.000 0.433 329 L N -0.888 120.293 121.223 -0.070 0.000 2.043 329 L HA -0.277 4.064 4.340 0.000 0.000 0.212 329 L C 2.347 179.163 176.870 -0.090 0.000 1.075 329 L CA 2.016 56.824 54.840 -0.053 0.000 0.752 329 L CB -1.155 40.889 42.059 -0.026 0.000 0.891 329 L HN 0.305 nan 8.230 nan 0.000 0.432 330 T N -0.002 114.485 114.554 -0.110 0.000 2.788 330 T HA -0.142 4.208 4.350 0.000 0.000 0.268 330 T C 1.926 176.526 174.700 -0.167 0.000 1.044 330 T CA 1.210 63.241 62.100 -0.116 0.000 1.139 330 T CB -0.206 68.600 68.868 -0.103 0.000 0.867 330 T HN 0.200 nan 8.240 nan 0.000 0.454 331 L N 0.134 121.180 121.223 -0.295 0.000 2.109 331 L HA -0.013 4.327 4.340 0.000 0.000 0.207 331 L C 2.743 179.442 176.870 -0.285 0.000 1.086 331 L CA 0.688 55.244 54.840 -0.473 0.000 0.760 331 L CB -0.526 40.844 42.059 -1.148 0.000 0.910 331 L HN 0.211 nan 8.230 nan 0.000 0.437 332 M N -0.279 119.198 119.600 -0.205 0.000 2.108 332 M HA -0.216 4.264 4.480 0.000 0.000 0.261 332 M C 1.590 177.857 176.300 -0.056 0.000 1.066 332 M CA 1.749 57.017 55.300 -0.053 0.000 1.107 332 M CB -1.008 31.541 32.600 -0.084 0.000 1.356 332 M HN 0.237 nan 8.290 nan 0.000 0.406 333 D N -0.819 119.540 120.400 -0.069 0.000 2.333 333 D HA 0.063 4.703 4.640 0.000 0.000 0.208 333 D C 1.995 178.269 176.300 -0.043 0.000 0.984 333 D CA 0.874 54.844 54.000 -0.051 0.000 0.873 333 D CB -0.467 40.307 40.800 -0.042 0.000 0.935 333 D HN 0.411 nan 8.370 nan 0.000 0.521 334 G N 0.593 109.362 108.800 -0.052 0.000 2.471 334 G HA2 -0.069 3.891 3.960 0.000 0.000 0.219 334 G HA3 -0.069 3.891 3.960 0.000 0.000 0.219 334 G C 0.759 175.651 174.900 -0.014 0.000 1.125 334 G CA -0.033 45.043 45.100 -0.039 0.000 0.775 334 G HN 0.217 nan 8.290 nan 0.000 0.548 335 L N 1.471 122.697 121.223 0.006 0.000 2.433 335 L HA 0.213 4.554 4.340 0.000 0.000 0.275 335 L C 0.458 177.306 176.870 -0.037 0.000 1.128 335 L CA -0.232 54.608 54.840 0.000 0.000 0.875 335 L CB 0.732 42.800 42.059 0.014 0.000 1.171 335 L HN 0.057 nan 8.230 nan 0.000 0.463 336 K N 2.161 122.534 120.400 -0.046 0.000 2.138 336 K HA 0.076 4.396 4.320 0.000 0.000 0.251 336 K C 0.902 177.444 176.600 -0.098 0.000 1.015 336 K CA -0.793 55.457 56.287 -0.060 0.000 0.917 336 K CB 0.797 33.266 32.500 -0.051 0.000 1.021 336 K HN 0.476 nan 8.250 nan 0.000 0.485 337 Q N 1.387 121.127 119.800 -0.100 0.000 2.062 337 Q HA -0.247 4.093 4.340 0.000 0.000 0.209 337 Q C 1.667 177.513 176.000 -0.257 0.000 0.996 337 Q CA 1.978 57.698 55.803 -0.139 0.000 0.859 337 Q CB -0.592 28.090 28.738 -0.092 0.000 0.920 337 Q HN 0.554 nan 8.270 nan 0.000 0.415 338 R N 0.654 121.000 120.500 -0.255 0.000 2.377 338 R HA 0.160 4.500 4.340 0.000 0.000 0.207 338 R C 1.802 177.824 176.300 -0.464 0.000 1.075 338 R CA 0.984 56.843 56.100 -0.401 0.000 1.035 338 R CB -0.664 29.539 30.300 -0.161 0.000 0.857 338 R HN 0.198 nan 8.270 nan 0.000 0.475 339 A N 0.963 123.595 122.820 -0.313 0.000 1.968 339 A HA -0.093 4.227 4.320 0.000 0.000 0.217 339 A C 0.063 177.588 177.584 -0.098 0.000 1.169 339 A CA 0.753 52.696 52.037 -0.156 0.000 0.638 339 A CB -0.552 18.394 19.000 -0.089 0.000 0.812 339 A HN 0.662 nan 8.150 nan 0.000 0.446 340 H N -1.709 117.339 119.070 -0.036 0.000 2.672 340 H HA -0.119 4.438 4.556 0.000 0.000 0.325 340 H C -0.954 174.349 175.328 -0.042 0.000 1.158 340 H CA 0.701 56.725 56.048 -0.038 0.000 1.134 340 H CB -2.393 27.357 29.762 -0.020 0.000 1.553 340 H HN 0.255 nan 8.280 nan 0.000 0.419 341 V N 2.922 122.833 119.914 -0.006 0.000 2.525 341 V HA 0.363 4.483 4.120 0.000 0.000 0.299 341 V C 0.456 176.495 176.094 -0.092 0.000 1.034 341 V CA -0.727 61.544 62.300 -0.047 0.000 0.863 341 V CB 2.567 34.336 31.823 -0.090 0.000 0.999 341 V HN 0.207 nan 8.190 nan 0.000 0.423 342 I N 5.135 125.652 120.570 -0.088 0.000 2.377 342 I HA 0.472 4.642 4.170 0.000 0.000 0.293 342 I C -0.132 175.903 176.117 -0.136 0.000 0.987 342 I CA -0.688 60.547 61.300 -0.109 0.000 1.185 342 I CB 1.890 39.853 38.000 -0.062 0.000 1.341 342 I HN 0.245 nan 8.210 nan 0.000 0.455 343 V N 6.852 126.664 119.914 -0.170 0.000 2.370 343 V HA 0.427 4.547 4.120 0.000 0.000 0.279 343 V C 0.352 176.444 176.094 -0.003 0.000 1.029 343 V CA -0.487 61.728 62.300 -0.140 0.000 0.870 343 V CB 1.351 33.069 31.823 -0.175 0.000 0.984 343 V HN 0.646 nan 8.190 nan 0.000 0.451 344 M N 3.766 123.348 119.600 -0.030 0.000 2.478 344 M HA 0.841 5.321 4.480 0.000 0.000 0.327 344 M C -0.139 175.896 176.300 -0.441 0.000 1.187 344 M CA -0.364 54.862 55.300 -0.122 0.000 1.022 344 M CB 2.139 34.666 32.600 -0.123 0.000 1.629 344 M HN 0.754 nan 8.290 nan 0.000 0.461 345 A N 1.372 123.874 122.820 -0.530 0.000 2.574 345 A HA 0.928 5.248 4.320 0.000 0.000 0.297 345 A C -1.732 175.566 177.584 -0.476 0.000 1.062 345 A CA -0.666 50.961 52.037 -0.683 0.000 0.686 345 A CB 1.503 20.081 19.000 -0.704 0.000 1.285 345 A HN 0.883 nan 8.150 nan 0.000 0.403 346 A N 0.318 122.969 122.820 -0.282 0.000 2.401 346 A HA 0.985 5.306 4.320 0.000 0.000 0.310 346 A C -0.308 177.279 177.584 0.005 0.000 1.075 346 A CA -0.186 51.854 52.037 0.006 0.000 0.746 346 A CB 1.796 20.961 19.000 0.275 0.000 1.277 346 A HN 1.925 nan 8.150 nan 0.000 0.425 347 T N -0.356 114.223 114.554 0.041 0.000 2.957 347 T HA 0.400 4.750 4.350 0.000 0.000 0.336 347 T C -0.268 174.474 174.700 0.070 0.000 1.462 347 T CA -0.014 62.106 62.100 0.034 0.000 1.073 347 T CB 0.921 69.780 68.868 -0.016 0.000 1.319 347 T HN 0.929 nan 8.240 nan 0.000 0.485 348 N N 1.755 120.487 118.700 0.053 0.000 2.236 348 N HA 0.136 4.876 4.740 0.000 0.000 0.196 348 N C 0.338 175.879 175.510 0.052 0.000 1.114 348 N CA -0.293 52.791 53.050 0.058 0.000 0.859 348 N CB 0.163 38.674 38.487 0.039 0.000 0.982 348 N HN 0.630 nan 8.380 nan 0.000 0.493 349 R N -0.206 120.315 120.500 0.034 0.000 2.629 349 R HA 0.381 4.721 4.340 0.000 0.000 0.277 349 R C -2.290 174.005 176.300 -0.008 0.000 1.637 349 R CA -1.340 54.770 56.100 0.016 0.000 1.663 349 R CB 0.818 31.122 30.300 0.007 0.000 1.228 349 R HN -0.015 nan 8.270 nan 0.000 0.632 350 P HA -0.149 nan 4.420 nan 0.000 0.219 350 P C 0.031 177.277 177.300 -0.090 0.000 1.146 350 P CA 0.956 64.005 63.100 -0.085 0.000 0.808 350 P CB 0.222 31.808 31.700 -0.190 0.000 0.779 351 N N -0.169 118.492 118.700 -0.064 0.000 2.521 351 N HA -0.043 4.697 4.740 0.000 0.000 0.188 351 N C 1.454 176.943 175.510 -0.035 0.000 1.146 351 N CA 0.850 53.869 53.050 -0.052 0.000 0.893 351 N CB -0.383 38.081 38.487 -0.039 0.000 0.975 351 N HN 0.303 nan 8.380 nan 0.000 0.451 352 S N -0.908 114.773 115.700 -0.032 0.000 2.539 352 S HA 0.256 4.726 4.470 0.000 0.000 0.221 352 S C 0.537 175.122 174.600 -0.026 0.000 0.987 352 S CA -0.480 57.707 58.200 -0.022 0.000 0.929 352 S CB 0.098 63.291 63.200 -0.012 0.000 0.832 352 S HN 0.027 nan 8.310 nan 0.000 0.492 353 I N 2.920 123.466 120.570 -0.041 0.000 2.474 353 I HA 0.180 4.350 4.170 0.000 0.000 0.287 353 I C 0.445 176.545 176.117 -0.029 0.000 1.048 353 I CA -0.521 60.752 61.300 -0.044 0.000 1.383 353 I CB 0.569 38.523 38.000 -0.076 0.000 1.412 353 I HN 0.174 nan 8.210 nan 0.000 0.531 354 D N 8.249 128.640 120.400 -0.016 0.000 2.581 354 D HA -0.051 4.589 4.640 0.000 0.000 0.238 354 D C -1.629 174.672 176.300 0.001 0.000 1.145 354 D CA -0.785 53.212 54.000 -0.005 0.000 0.866 354 D CB 1.302 42.103 40.800 0.002 0.000 1.151 354 D HN 0.249 nan 8.370 nan 0.000 0.500 355 P HA -0.088 nan 4.420 nan 0.000 0.222 355 P C 0.910 178.224 177.300 0.023 0.000 1.147 355 P CA 1.000 64.103 63.100 0.006 0.000 0.790 355 P CB 0.139 31.840 31.700 0.001 0.000 0.780 356 A N -0.726 122.109 122.820 0.024 0.000 2.019 356 A HA -0.140 4.180 4.320 0.000 0.000 0.219 356 A C 2.052 179.668 177.584 0.055 0.000 1.164 356 A CA 1.226 53.283 52.037 0.033 0.000 0.644 356 A CB -1.579 17.434 19.000 0.022 0.000 0.805 356 A HN 0.175 nan 8.150 nan 0.000 0.449 357 L N -1.532 119.734 121.223 0.073 0.000 2.395 357 L HA 0.035 4.375 4.340 0.000 0.000 0.218 357 L C 2.342 179.332 176.870 0.200 0.000 1.130 357 L CA 0.675 55.602 54.840 0.146 0.000 0.826 357 L CB -0.032 42.114 42.059 0.143 0.000 0.941 357 L HN 0.255 nan 8.230 nan 0.000 0.451 358 R N -1.006 119.564 120.500 0.117 0.000 2.393 358 R HA 0.143 4.483 4.340 0.000 0.000 0.244 358 R C 0.421 176.773 176.300 0.086 0.000 0.920 358 R CA -0.269 55.898 56.100 0.111 0.000 1.076 358 R CB 0.437 30.767 30.300 0.049 0.000 1.119 358 R HN 0.129 nan 8.270 nan 0.000 0.524 359 R N -0.020 120.529 120.500 0.082 0.000 2.726 359 R HA 0.068 4.408 4.340 0.000 0.000 0.272 359 R C -0.329 176.042 176.300 0.119 0.000 1.097 359 R CA -0.301 55.858 56.100 0.099 0.000 1.198 359 R CB 0.203 30.557 30.300 0.089 0.000 1.114 359 R HN -0.093 nan 8.270 nan 0.000 0.550 360 F N 0.960 120.909 119.950 -0.001 0.000 2.612 360 F HA 0.128 4.655 4.527 0.000 0.000 0.389 360 F C 1.393 177.177 175.800 -0.026 0.000 1.055 360 F CA 2.242 60.236 58.000 -0.010 0.000 1.232 360 F CB 0.273 39.268 39.000 -0.008 0.000 1.044 360 F HN 0.716 nan 8.300 nan 0.000 0.560 361 G N 4.618 113.140 108.800 -0.463 0.000 2.279 361 G HA2 -0.289 3.672 3.960 0.000 0.000 0.223 361 G HA3 -0.289 3.672 3.960 0.000 0.000 0.223 361 G C 0.905 175.650 174.900 -0.259 0.000 1.015 361 G CA 0.296 45.201 45.100 -0.325 0.000 0.621 361 G HN 0.688 nan 8.290 nan 0.000 0.506 362 R N -0.721 119.658 120.500 -0.202 0.000 1.557 362 R HA 0.649 4.990 4.340 0.000 0.000 0.106 362 R C 0.145 176.212 176.300 -0.388 0.000 1.616 362 R CA -0.201 55.740 56.100 -0.265 0.000 1.892 362 R CB -0.385 29.858 30.300 -0.095 0.000 1.185 362 R HN 0.086 nan 8.270 nan 0.000 0.608 363 F N 2.688 122.604 119.950 -0.055 0.000 2.626 363 F HA 0.097 4.625 4.527 0.000 0.000 0.353 363 F C 0.405 176.173 175.800 -0.053 0.000 1.230 363 F CA -0.351 57.615 58.000 -0.056 0.000 1.298 363 F CB 0.065 39.038 39.000 -0.045 0.000 1.670 363 F HN 0.387 nan 8.300 nan 0.000 0.633 364 D N -0.338 120.058 120.400 -0.006 0.000 2.328 364 D HA 0.024 4.665 4.640 0.000 0.000 0.221 364 D C 0.530 176.837 176.300 0.013 0.000 1.072 364 D CA 0.116 54.108 54.000 -0.013 0.000 0.850 364 D CB 0.204 40.929 40.800 -0.124 0.000 0.922 364 D HN 0.120 nan 8.370 nan 0.000 0.516 365 R N 0.325 120.851 120.500 0.044 0.000 2.744 365 R HA 0.547 4.887 4.340 0.000 0.000 0.279 365 R C -0.735 175.636 176.300 0.119 0.000 0.977 365 R CA -0.525 55.615 56.100 0.067 0.000 0.906 365 R CB 1.973 32.296 30.300 0.038 0.000 1.197 365 R HN 0.074 nan 8.270 nan 0.000 0.463 366 E N 0.918 121.203 120.200 0.142 0.000 2.256 366 E HA 0.423 4.773 4.350 0.000 0.000 0.268 366 E C -1.163 175.580 176.600 0.238 0.000 0.877 366 E CA -0.771 55.769 56.400 0.234 0.000 0.757 366 E CB 2.945 32.800 29.700 0.259 0.000 1.183 366 E HN 0.113 nan 8.360 nan 0.000 0.418 367 V N 2.460 122.503 119.914 0.215 0.000 2.407 367 V HA 0.170 4.291 4.120 0.000 0.000 0.291 367 V C -0.719 175.276 176.094 -0.165 0.000 1.018 367 V CA -0.845 61.494 62.300 0.065 0.000 0.842 367 V CB 1.617 33.471 31.823 0.052 0.000 0.996 367 V HN 0.659 nan 8.190 nan 0.000 0.426 368 D N 5.341 125.549 120.400 -0.320 0.000 2.393 368 D HA 0.196 4.837 4.640 0.000 0.000 0.232 368 D C 0.092 176.174 176.300 -0.363 0.000 1.192 368 D CA -0.381 53.182 54.000 -0.728 0.000 0.882 368 D CB 0.536 41.020 40.800 -0.525 0.000 1.038 368 D HN 0.282 nan 8.370 nan 0.000 0.499 369 I N 4.522 124.895 120.570 -0.330 0.000 2.227 369 I HA 0.260 4.430 4.170 0.000 0.000 0.297 369 I C 1.365 177.395 176.117 -0.146 0.000 1.173 369 I CA -0.251 60.954 61.300 -0.158 0.000 1.356 369 I CB -0.374 37.580 38.000 -0.077 0.000 1.485 369 I HN 0.326 nan 8.210 nan 0.000 0.604 370 G N 5.374 114.100 108.800 -0.125 0.000 2.531 370 G HA2 0.529 4.489 3.960 0.000 0.000 0.253 370 G HA3 0.529 4.489 3.960 0.000 0.000 0.253 370 G C -0.003 174.868 174.900 -0.049 0.000 1.439 370 G CA -0.665 44.384 45.100 -0.086 0.000 1.056 370 G HN 0.364 nan 8.290 nan 0.000 0.555 371 I N 2.481 123.029 120.570 -0.036 0.000 2.496 371 I HA 0.207 4.377 4.170 0.000 0.000 0.285 371 I C -1.416 174.690 176.117 -0.018 0.000 1.080 371 I CA -1.165 60.115 61.300 -0.032 0.000 1.404 371 I CB 1.121 39.092 38.000 -0.048 0.000 1.403 371 I HN 0.229 nan 8.210 nan 0.000 0.539 372 P HA 0.101 nan 4.420 nan 0.000 0.272 372 P C -0.920 176.389 177.300 0.015 0.000 1.223 372 P CA -0.402 62.701 63.100 0.005 0.000 0.784 372 P CB 0.553 32.261 31.700 0.013 0.000 0.923 373 D N 0.683 121.097 120.400 0.023 0.000 2.433 373 D HA 0.114 4.754 4.640 0.000 0.000 0.255 373 D C 1.170 177.494 176.300 0.039 0.000 1.226 373 D CA -0.472 53.551 54.000 0.038 0.000 1.015 373 D CB 0.350 41.169 40.800 0.031 0.000 1.091 373 D HN 0.290 nan 8.370 nan 0.000 0.527 374 A N 0.060 122.908 122.820 0.046 0.000 1.917 374 A HA -0.183 4.137 4.320 0.000 0.000 0.219 374 A C 2.170 179.764 177.584 0.017 0.000 1.182 374 A CA 2.536 54.594 52.037 0.034 0.000 0.633 374 A CB -1.263 17.755 19.000 0.030 0.000 0.819 374 A HN 0.710 nan 8.150 nan 0.000 0.448 375 T N -0.343 114.220 114.554 0.015 0.000 2.737 375 T HA -0.024 4.326 4.350 0.000 0.000 0.265 375 T C 2.016 176.723 174.700 0.010 0.000 1.038 375 T CA 1.406 63.511 62.100 0.009 0.000 1.144 375 T CB -0.777 68.096 68.868 0.009 0.000 0.866 375 T HN 0.579 nan 8.240 nan 0.000 0.434 376 G N 1.516 110.324 108.800 0.014 0.000 2.422 376 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 376 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 376 G C 1.729 176.641 174.900 0.020 0.000 1.146 376 G CA 0.386 45.496 45.100 0.017 0.000 0.769 376 G HN 0.420 nan 8.290 nan 0.000 0.547 377 R N -0.580 119.931 120.500 0.019 0.000 2.096 377 R HA -0.013 4.327 4.340 0.000 0.000 0.235 377 R C 2.470 178.774 176.300 0.008 0.000 1.127 377 R CA 1.132 57.242 56.100 0.016 0.000 0.968 377 R CB -0.520 29.787 30.300 0.011 0.000 0.861 377 R HN 0.388 nan 8.270 nan 0.000 0.440 378 L N 1.633 122.857 121.223 0.001 0.000 2.046 378 L HA -0.160 4.180 4.340 0.000 0.000 0.208 378 L C 1.886 178.759 176.870 0.005 0.000 1.077 378 L CA 1.818 56.653 54.840 -0.009 0.000 0.747 378 L CB -0.295 41.756 42.059 -0.014 0.000 0.896 378 L HN 0.126 nan 8.230 nan 0.000 0.432 379 E N -0.300 119.908 120.200 0.015 0.000 2.058 379 E HA -0.249 4.101 4.350 0.000 0.000 0.194 379 E C 2.249 178.875 176.600 0.044 0.000 0.997 379 E CA 1.888 58.303 56.400 0.024 0.000 0.801 379 E CB -0.266 29.448 29.700 0.024 0.000 0.746 379 E HN 0.590 nan 8.360 nan 0.000 0.450 380 I N 0.971 121.575 120.570 0.057 0.000 2.226 380 I HA -0.296 3.874 4.170 0.000 0.000 0.245 380 I C 2.329 178.533 176.117 0.144 0.000 1.100 380 I CA 1.009 62.372 61.300 0.106 0.000 1.374 380 I CB -0.183 37.868 38.000 0.086 0.000 1.057 380 I HN 0.109 nan 8.210 nan 0.000 0.413 381 L N -0.190 121.081 121.223 0.080 0.000 2.141 381 L HA -0.214 4.127 4.340 0.000 0.000 0.209 381 L C 2.553 179.467 176.870 0.072 0.000 1.094 381 L CA 1.269 56.154 54.840 0.076 0.000 0.763 381 L CB -0.489 41.570 42.059 0.001 0.000 0.908 381 L HN 0.303 nan 8.230 nan 0.000 0.437 382 Q N -0.190 119.635 119.800 0.043 0.000 2.123 382 Q HA -0.125 4.216 4.340 0.000 0.000 0.199 382 Q C 2.323 178.344 176.000 0.035 0.000 0.966 382 Q CA 1.226 57.046 55.803 0.028 0.000 0.845 382 Q CB 0.022 28.767 28.738 0.011 0.000 0.907 382 Q HN 0.499 nan 8.270 nan 0.000 0.439 383 I N -0.335 120.261 120.570 0.044 0.000 2.252 383 I HA -0.269 3.901 4.170 0.000 0.000 0.245 383 I C 1.878 177.961 176.117 -0.056 0.000 1.102 383 I CA 1.229 62.530 61.300 0.000 0.000 1.385 383 I CB -0.105 37.897 38.000 0.004 0.000 1.064 383 I HN 0.221 nan 8.210 nan 0.000 0.414 384 H N -0.060 119.027 119.070 0.028 0.000 2.423 384 H HA -0.108 4.448 4.556 0.000 0.000 0.297 384 H C 2.105 177.462 175.328 0.049 0.000 1.075 384 H CA 1.935 58.007 56.048 0.039 0.000 1.342 384 H CB -0.016 29.778 29.762 0.054 0.000 1.395 384 H HN 0.356 nan 8.280 nan 0.000 0.530 385 T N -1.481 113.154 114.554 0.136 0.000 3.122 385 T HA 0.002 4.352 4.350 0.000 0.000 0.250 385 T C 1.578 176.312 174.700 0.057 0.000 1.067 385 T CA 0.044 62.214 62.100 0.117 0.000 0.966 385 T CB -0.032 68.920 68.868 0.139 0.000 1.002 385 T HN 0.481 nan 8.240 nan 0.000 0.542 386 K N 1.708 122.121 120.400 0.022 0.000 2.281 386 K HA -0.065 4.255 4.320 0.000 0.000 0.203 386 K C 1.296 177.898 176.600 0.003 0.000 1.046 386 K CA 1.306 57.595 56.287 0.004 0.000 0.938 386 K CB -0.219 32.272 32.500 -0.016 0.000 0.737 386 K HN 0.250 nan 8.250 nan 0.000 0.458 387 N N -0.097 118.606 118.700 0.005 0.000 2.184 387 N HA 0.146 4.886 4.740 0.000 0.000 0.206 387 N C -0.173 175.349 175.510 0.020 0.000 1.151 387 N CA 0.106 53.159 53.050 0.004 0.000 0.878 387 N CB 0.454 38.935 38.487 -0.009 0.000 1.014 387 N HN 0.213 nan 8.380 nan 0.000 0.512 388 M N 1.145 120.769 119.600 0.041 0.000 2.249 388 M HA 0.198 4.678 4.480 0.000 0.000 0.351 388 M C 0.041 176.373 176.300 0.054 0.000 1.180 388 M CA -0.327 55.007 55.300 0.057 0.000 1.127 388 M CB 1.052 33.711 32.600 0.098 0.000 1.546 388 M HN -0.378 nan 8.290 nan 0.000 0.461 389 K N 4.590 125.019 120.400 0.049 0.000 2.316 389 K HA 0.479 4.800 4.320 0.000 0.000 0.289 389 K C -0.877 175.763 176.600 0.067 0.000 1.070 389 K CA 0.088 56.401 56.287 0.044 0.000 0.928 389 K CB 0.121 32.639 32.500 0.029 0.000 1.039 389 K HN 0.638 nan 8.250 nan 0.000 0.480 390 L N 1.453 122.717 121.223 0.067 0.000 2.333 390 L HA 0.577 4.917 4.340 0.000 0.000 0.269 390 L C 0.301 177.206 176.870 0.059 0.000 1.010 390 L CA -1.172 53.721 54.840 0.087 0.000 0.818 390 L CB 1.925 44.035 42.059 0.085 0.000 1.306 390 L HN 0.574 nan 8.230 nan 0.000 0.430 391 A N 0.627 123.488 122.820 0.067 0.000 2.264 391 A HA 0.283 4.603 4.320 0.000 0.000 0.304 391 A C 0.356 177.957 177.584 0.028 0.000 1.100 391 A CA -0.355 51.709 52.037 0.045 0.000 0.839 391 A CB 0.457 19.488 19.000 0.051 0.000 1.121 391 A HN 0.861 nan 8.150 nan 0.000 0.496 392 D N 0.309 120.720 120.400 0.019 0.000 2.133 392 D HA -0.182 4.458 4.640 0.000 0.000 0.195 392 D C 1.260 177.562 176.300 0.004 0.000 0.997 392 D CA 2.232 56.237 54.000 0.008 0.000 0.840 392 D CB -0.023 40.782 40.800 0.008 0.000 0.947 392 D HN 0.732 nan 8.370 nan 0.000 0.452 393 D N 0.178 120.585 120.400 0.012 0.000 2.348 393 D HA -0.082 4.558 4.640 0.000 0.000 0.216 393 D C 0.277 176.576 176.300 -0.001 0.000 0.970 393 D CA 0.068 54.074 54.000 0.009 0.000 0.889 393 D CB -0.434 40.378 40.800 0.021 0.000 0.912 393 D HN 0.031 nan 8.370 nan 0.000 0.524 394 V N 1.607 121.517 119.914 -0.006 0.000 2.425 394 V HA 0.039 4.159 4.120 0.000 0.000 0.276 394 V C 0.058 176.086 176.094 -0.111 0.000 1.017 394 V CA -0.035 62.227 62.300 -0.065 0.000 1.062 394 V CB 0.440 32.225 31.823 -0.064 0.000 0.997 394 V HN 0.056 nan 8.190 nan 0.000 0.476 395 D N 4.560 124.878 120.400 -0.136 0.000 2.454 395 D HA 0.339 4.980 4.640 0.000 0.000 0.225 395 D C 0.811 176.996 176.300 -0.191 0.000 1.081 395 D CA -0.322 53.602 54.000 -0.126 0.000 0.864 395 D CB 1.387 42.141 40.800 -0.078 0.000 1.040 395 D HN 0.375 nan 8.370 nan 0.000 0.517 396 L N 2.488 123.593 121.223 -0.197 0.000 2.141 396 L HA -0.052 4.288 4.340 0.000 0.000 0.209 396 L C 2.174 178.962 176.870 -0.136 0.000 1.094 396 L CA 0.701 55.412 54.840 -0.215 0.000 0.763 396 L CB -0.110 41.848 42.059 -0.169 0.000 0.908 396 L HN 0.461 nan 8.230 nan 0.000 0.437 397 E N -0.013 120.131 120.200 -0.094 0.000 2.097 397 E HA -0.312 4.038 4.350 0.000 0.000 0.196 397 E C 2.151 178.714 176.600 -0.062 0.000 1.000 397 E CA 1.610 57.972 56.400 -0.063 0.000 0.804 397 E CB -0.004 29.669 29.700 -0.046 0.000 0.740 397 E HN 0.357 nan 8.360 nan 0.000 0.454 398 Q N 0.661 120.418 119.800 -0.072 0.000 2.050 398 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 398 Q C 2.134 178.092 176.000 -0.069 0.000 0.980 398 Q CA 1.494 57.261 55.803 -0.061 0.000 0.840 398 Q CB -0.315 28.389 28.738 -0.057 0.000 0.898 398 Q HN 0.109 nan 8.270 nan 0.000 0.424 399 V N 0.829 120.677 119.914 -0.111 0.000 2.343 399 V HA -0.271 3.849 4.120 0.000 0.000 0.247 399 V C 2.309 178.347 176.094 -0.094 0.000 1.051 399 V CA 1.765 63.998 62.300 -0.112 0.000 1.036 399 V CB -1.398 30.303 31.823 -0.202 0.000 0.654 399 V HN 0.512 nan 8.190 nan 0.000 0.451 400 A N 0.437 123.207 122.820 -0.082 0.000 1.940 400 A HA -0.238 4.082 4.320 0.000 0.000 0.219 400 A C 2.075 179.641 177.584 -0.030 0.000 1.176 400 A CA 2.124 54.129 52.037 -0.053 0.000 0.631 400 A CB -0.604 18.374 19.000 -0.038 0.000 0.814 400 A HN 0.598 nan 8.150 nan 0.000 0.446 401 N N -0.230 118.453 118.700 -0.028 0.000 2.300 401 N HA -0.076 4.664 4.740 0.000 0.000 0.179 401 N C 1.409 176.918 175.510 -0.001 0.000 1.016 401 N CA 1.216 54.261 53.050 -0.008 0.000 0.876 401 N CB -0.309 38.170 38.487 -0.014 0.000 0.979 401 N HN 0.659 nan 8.380 nan 0.000 0.432 402 E N -0.139 120.049 120.200 -0.021 0.000 2.482 402 E HA -0.009 4.341 4.350 0.000 0.000 0.196 402 E C 0.087 176.671 176.600 -0.027 0.000 1.047 402 E CA 0.489 56.880 56.400 -0.016 0.000 0.869 402 E CB 0.112 29.798 29.700 -0.024 0.000 0.836 402 E HN 0.332 nan 8.360 nan 0.000 0.520 403 T N -1.483 113.031 114.554 -0.067 0.000 3.273 403 T HA 0.109 4.459 4.350 0.000 0.000 0.242 403 T C 0.669 175.451 174.700 0.136 0.000 1.228 403 T CA -0.497 61.502 62.100 -0.169 0.000 1.173 403 T CB 0.168 68.777 68.868 -0.431 0.000 1.134 403 T HN 0.093 nan 8.240 nan 0.000 0.635 404 H N 3.253 122.389 119.070 0.110 0.000 2.257 404 H HA -0.067 4.489 4.556 -0.000 0.000 0.292 404 H C 2.300 177.706 175.328 0.130 0.000 1.075 404 H CA 2.486 58.594 56.048 0.101 0.000 1.212 404 H CB -0.788 29.010 29.762 0.059 0.000 1.354 404 H HN 0.530 nan 8.280 nan 0.000 0.497 405 G N -1.074 107.607 108.800 -0.199 0.000 2.708 405 G HA2 -0.131 3.829 3.960 0.000 0.000 0.210 405 G HA3 -0.131 3.829 3.960 0.000 0.000 0.210 405 G C -0.166 174.610 174.900 -0.207 0.000 1.141 405 G CA 0.185 45.090 45.100 -0.325 0.000 0.788 405 G HN 0.478 nan 8.290 nan 0.000 0.531 406 H N -0.453 118.542 119.070 -0.125 0.000 2.803 406 H HA 0.376 4.932 4.556 0.000 0.000 0.330 406 H C 0.662 175.950 175.328 -0.068 0.000 1.057 406 H CA -0.126 55.877 56.048 -0.075 0.000 1.458 406 H CB 1.397 31.132 29.762 -0.044 0.000 1.470 406 H HN 0.106 nan 8.280 nan 0.000 0.560 407 V N 0.788 120.709 119.914 0.011 0.000 3.211 407 V HA 0.560 4.681 4.120 0.000 0.000 0.319 407 V C 1.512 177.617 176.094 0.018 0.000 1.096 407 V CA -0.167 62.135 62.300 0.003 0.000 1.029 407 V CB 1.322 33.129 31.823 -0.027 0.000 1.137 407 V HN 0.806 nan 8.190 nan 0.000 0.453 408 G N 0.055 108.861 108.800 0.010 0.000 2.476 408 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 408 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 408 G C 1.494 176.371 174.900 -0.038 0.000 1.164 408 G CA 1.566 46.668 45.100 0.003 0.000 0.768 408 G HN 1.496 nan 8.290 nan 0.000 0.560 409 A N 1.060 123.867 122.820 -0.021 0.000 1.908 409 A HA -0.106 4.214 4.320 0.000 0.000 0.218 409 A C 2.100 179.660 177.584 -0.040 0.000 1.181 409 A CA 2.182 54.200 52.037 -0.032 0.000 0.627 409 A CB -0.448 18.542 19.000 -0.016 0.000 0.818 409 A HN 0.327 nan 8.150 nan 0.000 0.445 410 D N -0.069 120.320 120.400 -0.017 0.000 2.144 410 D HA -0.089 4.551 4.640 0.000 0.000 0.200 410 D C 1.923 178.270 176.300 0.078 0.000 0.978 410 D CA 1.013 55.029 54.000 0.028 0.000 0.833 410 D CB -0.262 40.541 40.800 0.005 0.000 0.961 410 D HN 0.486 nan 8.370 nan 0.000 0.470 411 L N 0.632 121.871 121.223 0.027 0.000 2.131 411 L HA -0.026 4.314 4.340 0.000 0.000 0.206 411 L C 2.583 179.358 176.870 -0.158 0.000 1.087 411 L CA 0.723 55.547 54.840 -0.027 0.000 0.767 411 L CB -0.351 41.690 42.059 -0.030 0.000 0.917 411 L HN -0.054 nan 8.230 nan 0.000 0.441 412 A N 0.407 123.024 122.820 -0.337 0.000 1.883 412 A HA -0.211 4.109 4.320 0.000 0.000 0.217 412 A C 2.545 180.032 177.584 -0.161 0.000 1.186 412 A CA 1.888 53.622 52.037 -0.506 0.000 0.624 412 A CB -0.745 17.975 19.000 -0.466 0.000 0.822 412 A HN 0.387 nan 8.150 nan 0.000 0.444 413 A N -0.630 122.140 122.820 -0.085 0.000 1.902 413 A HA -0.050 4.270 4.320 0.000 0.000 0.217 413 A C 2.160 179.733 177.584 -0.019 0.000 1.181 413 A CA 1.738 53.756 52.037 -0.031 0.000 0.623 413 A CB -0.649 18.341 19.000 -0.016 0.000 0.818 413 A HN 0.690 nan 8.150 nan 0.000 0.443 414 L N -0.281 120.938 121.223 -0.007 0.000 2.012 414 L HA -0.200 4.140 4.340 0.000 0.000 0.210 414 L C 2.509 179.357 176.870 -0.037 0.000 1.073 414 L CA 2.333 57.173 54.840 0.001 0.000 0.748 414 L CB -0.730 41.353 42.059 0.040 0.000 0.891 414 L HN 0.465 nan 8.230 nan 0.000 0.431 415 C N -1.570 117.729 119.300 -0.001 0.000 2.425 415 C HA -0.140 4.320 4.460 0.000 0.000 0.277 415 C C 3.171 178.127 174.990 -0.057 0.000 1.280 415 C CA 1.182 60.201 59.018 0.001 0.000 1.744 415 C CB -1.025 26.784 27.740 0.114 0.000 1.989 415 C HN 0.705 nan 8.230 nan 0.000 0.491 416 S N -0.008 115.678 115.700 -0.022 0.000 2.368 416 S HA -0.154 4.316 4.470 0.000 0.000 0.225 416 S C 1.974 176.558 174.600 -0.026 0.000 1.030 416 S CA 1.375 59.568 58.200 -0.012 0.000 0.999 416 S CB -0.266 62.938 63.200 0.007 0.000 0.844 416 S HN 0.570 nan 8.310 nan 0.000 0.459 417 E N 0.838 121.026 120.200 -0.020 0.000 2.150 417 E HA 0.005 4.355 4.350 0.000 0.000 0.193 417 E C 2.249 178.870 176.600 0.035 0.000 0.985 417 E CA 0.920 57.347 56.400 0.046 0.000 0.814 417 E CB -0.447 29.298 29.700 0.074 0.000 0.752 417 E HN 0.544 nan 8.360 nan 0.000 0.466 418 A N 1.303 124.030 122.820 -0.155 0.000 1.902 418 A HA -0.098 4.222 4.320 0.000 0.000 0.217 418 A C 2.384 179.827 177.584 -0.234 0.000 1.181 418 A CA 1.967 53.797 52.037 -0.345 0.000 0.623 418 A CB -0.460 17.863 19.000 -1.127 0.000 0.818 418 A HN 0.264 nan 8.150 nan 0.000 0.443 419 A N -0.688 122.026 122.820 -0.177 0.000 1.929 419 A HA 0.046 4.366 4.320 0.000 0.000 0.216 419 A C 2.173 179.718 177.584 -0.064 0.000 1.176 419 A CA 1.310 53.289 52.037 -0.096 0.000 0.628 419 A CB -0.536 18.432 19.000 -0.053 0.000 0.816 419 A HN 0.482 nan 8.150 nan 0.000 0.444 420 L N -0.958 120.238 121.223 -0.045 0.000 2.083 420 L HA -0.234 4.106 4.340 0.000 0.000 0.209 420 L C 2.794 179.611 176.870 -0.089 0.000 1.083 420 L CA 1.883 56.700 54.840 -0.040 0.000 0.752 420 L CB -0.190 41.870 42.059 0.002 0.000 0.899 420 L HN 0.501 nan 8.230 nan 0.000 0.433 421 Q N -0.339 119.398 119.800 -0.105 0.000 2.084 421 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 421 Q C 2.089 177.988 176.000 -0.167 0.000 0.978 421 Q CA 2.001 57.672 55.803 -0.218 0.000 0.844 421 Q CB -0.225 28.401 28.738 -0.187 0.000 0.898 421 Q HN 0.528 nan 8.270 nan 0.000 0.426 422 A N -0.189 122.567 122.820 -0.107 0.000 1.972 422 A HA -0.118 4.202 4.320 0.000 0.000 0.219 422 A C 2.074 179.615 177.584 -0.071 0.000 1.169 422 A CA 1.272 53.264 52.037 -0.076 0.000 0.635 422 A CB -0.604 18.367 19.000 -0.049 0.000 0.810 422 A HN 0.473 nan 8.150 nan 0.000 0.446 423 I N -1.197 119.330 120.570 -0.073 0.000 2.202 423 I HA -0.220 3.950 4.170 0.000 0.000 0.242 423 I C 2.732 178.801 176.117 -0.079 0.000 1.091 423 I CA 1.126 62.389 61.300 -0.063 0.000 1.368 423 I CB -0.248 37.721 38.000 -0.051 0.000 1.058 423 I HN 0.262 nan 8.210 nan 0.000 0.410 424 R N 0.737 121.169 120.500 -0.112 0.000 2.105 424 R HA -0.195 4.145 4.340 0.000 0.000 0.239 424 R C 2.185 178.411 176.300 -0.124 0.000 1.135 424 R CA 1.417 57.436 56.100 -0.136 0.000 0.967 424 R CB -0.155 30.018 30.300 -0.212 0.000 0.861 424 R HN 0.302 nan 8.270 nan 0.000 0.442 425 K N -0.172 120.155 120.400 -0.121 0.000 2.283 425 K HA -0.130 4.190 4.320 0.000 0.000 0.202 425 K C 1.446 178.007 176.600 -0.066 0.000 1.048 425 K CA 0.947 57.177 56.287 -0.095 0.000 0.948 425 K CB 0.124 32.573 32.500 -0.085 0.000 0.742 425 K HN -0.132 nan 8.250 nan 0.000 0.458 426 K N -0.091 120.273 120.400 -0.060 0.000 2.399 426 K HA 0.178 4.498 4.320 0.000 0.000 0.204 426 K C 1.326 177.900 176.600 -0.043 0.000 1.023 426 K CA -0.029 56.231 56.287 -0.044 0.000 1.127 426 K CB 0.338 32.816 32.500 -0.037 0.000 0.856 426 K HN -0.079 nan 8.250 nan 0.000 0.514 427 M N 1.557 121.126 119.600 -0.052 0.000 2.080 427 M HA -0.191 4.289 4.480 0.000 0.000 0.260 427 M C 1.098 177.375 176.300 -0.038 0.000 1.068 427 M CA 1.788 57.059 55.300 -0.047 0.000 1.109 427 M CB -0.765 31.801 32.600 -0.057 0.000 1.342 427 M HN 0.334 nan 8.290 nan 0.000 0.405 428 D N -0.508 119.870 120.400 -0.037 0.000 2.263 428 D HA -0.169 4.471 4.640 0.000 0.000 0.208 428 D C 1.468 177.754 176.300 -0.024 0.000 0.971 428 D CA 1.017 55.000 54.000 -0.029 0.000 0.867 428 D CB -0.410 40.373 40.800 -0.028 0.000 0.929 428 D HN 0.338 nan 8.370 nan 0.000 0.492 429 L N 0.118 121.326 121.223 -0.025 0.000 2.592 429 L HA 0.294 4.634 4.340 0.000 0.000 0.227 429 L C 0.693 177.551 176.870 -0.020 0.000 1.127 429 L CA 0.251 55.079 54.840 -0.021 0.000 0.884 429 L CB -0.032 42.016 42.059 -0.020 0.000 1.065 429 L HN -0.036 nan 8.230 nan 0.000 0.457 430 I N -1.279 119.277 120.570 -0.023 0.000 2.646 430 I HA 0.424 4.595 4.170 0.000 0.000 0.299 430 I C -0.967 175.137 176.117 -0.021 0.000 1.036 430 I CA -0.571 60.716 61.300 -0.022 0.000 1.074 430 I CB 2.356 40.341 38.000 -0.025 0.000 1.258 430 I HN -0.155 nan 8.210 nan 0.000 0.430 431 D N 2.454 122.843 120.400 -0.018 0.000 2.756 431 D HA 0.313 4.953 4.640 0.000 0.000 0.226 431 D C 0.050 176.340 176.300 -0.016 0.000 1.186 431 D CA -0.526 53.463 54.000 -0.017 0.000 0.845 431 D CB 2.400 43.190 40.800 -0.015 0.000 1.610 431 D HN 0.274 nan 8.370 nan 0.000 0.465 432 L N 1.965 123.179 121.223 -0.016 0.000 2.456 432 L HA 0.068 4.408 4.340 0.000 0.000 0.224 432 L C 1.435 178.298 176.870 -0.012 0.000 1.148 432 L CA 1.561 56.393 54.840 -0.014 0.000 0.825 432 L CB -0.108 41.942 42.059 -0.014 0.000 0.937 432 L HN 0.424 nan 8.230 nan 0.000 0.450 433 E N -0.373 119.821 120.200 -0.012 0.000 2.127 433 E HA 0.015 4.365 4.350 0.000 0.000 0.191 433 E C 0.185 176.779 176.600 -0.010 0.000 0.964 433 E CA 0.222 56.615 56.400 -0.010 0.000 0.832 433 E CB -0.366 29.328 29.700 -0.010 0.000 0.790 433 E HN 0.611 nan 8.360 nan 0.000 0.465 434 D N 1.768 122.162 120.400 -0.010 0.000 2.423 434 D HA -0.074 4.566 4.640 0.000 0.000 0.238 434 D C 0.869 177.163 176.300 -0.010 0.000 1.142 434 D CA 0.046 54.040 54.000 -0.010 0.000 0.884 434 D CB 1.628 42.422 40.800 -0.011 0.000 1.199 434 D HN 0.008 nan 8.370 nan 0.000 0.438 435 E N 0.819 121.014 120.200 -0.010 0.000 2.031 435 E HA -0.143 4.208 4.350 0.000 0.000 0.193 435 E C 0.273 176.867 176.600 -0.011 0.000 0.994 435 E CA 1.146 57.540 56.400 -0.010 0.000 0.800 435 E CB 0.238 29.932 29.700 -0.009 0.000 0.752 435 E HN 0.712 nan 8.360 nan 0.000 0.447 436 T N -0.983 113.564 114.554 -0.011 0.000 2.908 436 T HA 0.508 4.859 4.350 0.000 0.000 0.290 436 T C -0.007 174.686 174.700 -0.012 0.000 1.034 436 T CA -1.010 61.083 62.100 -0.012 0.000 1.010 436 T CB 1.767 70.628 68.868 -0.012 0.000 1.068 436 T HN -0.081 nan 8.240 nan 0.000 0.481 437 I N 2.082 122.644 120.570 -0.013 0.000 2.472 437 I HA 0.236 4.406 4.170 0.000 0.000 0.290 437 I C 0.943 177.052 176.117 -0.013 0.000 1.016 437 I CA -0.668 60.624 61.300 -0.014 0.000 1.348 437 I CB 0.869 38.860 38.000 -0.015 0.000 1.417 437 I HN 0.866 nan 8.210 nan 0.000 0.521 438 D N 4.084 124.476 120.400 -0.013 0.000 2.488 438 D HA 0.012 4.652 4.640 0.000 0.000 0.238 438 D C 0.858 177.152 176.300 -0.011 0.000 1.138 438 D CA 0.173 54.166 54.000 -0.012 0.000 0.873 438 D CB 1.470 42.263 40.800 -0.012 0.000 1.183 438 D HN 0.673 nan 8.370 nan 0.000 0.458 439 A N 4.087 126.901 122.820 -0.011 0.000 1.902 439 A HA -0.232 4.088 4.320 0.000 0.000 0.217 439 A C 1.921 179.499 177.584 -0.009 0.000 1.181 439 A CA 1.869 53.900 52.037 -0.010 0.000 0.623 439 A CB -0.402 18.592 19.000 -0.010 0.000 0.818 439 A HN 0.723 nan 8.150 nan 0.000 0.443 440 E N 0.291 120.485 120.200 -0.009 0.000 2.077 440 E HA -0.138 4.212 4.350 0.000 0.000 0.193 440 E C 1.715 178.310 176.600 -0.009 0.000 0.989 440 E CA 1.875 58.270 56.400 -0.008 0.000 0.800 440 E CB -0.622 29.073 29.700 -0.008 0.000 0.746 440 E HN 0.245 nan 8.360 nan 0.000 0.452 441 V N 0.496 120.403 119.914 -0.011 0.000 2.332 441 V HA -0.282 3.838 4.120 0.000 0.000 0.248 441 V C 2.524 178.610 176.094 -0.012 0.000 1.055 441 V CA 2.092 64.385 62.300 -0.013 0.000 1.038 441 V CB -0.574 31.240 31.823 -0.015 0.000 0.651 441 V HN 0.315 nan 8.190 nan 0.000 0.450 442 M N 0.725 120.319 119.600 -0.011 0.000 2.117 442 M HA -0.122 4.358 4.480 0.000 0.000 0.262 442 M C 1.879 178.175 176.300 -0.008 0.000 1.065 442 M CA 1.766 57.060 55.300 -0.010 0.000 1.114 442 M CB -0.571 32.022 32.600 -0.011 0.000 1.361 442 M HN 0.392 nan 8.290 nan 0.000 0.408 443 N N -0.857 117.839 118.700 -0.007 0.000 2.250 443 N HA -0.054 4.686 4.740 0.000 0.000 0.181 443 N C 1.711 177.220 175.510 -0.002 0.000 1.017 443 N CA 1.564 54.612 53.050 -0.004 0.000 0.866 443 N CB -0.832 37.652 38.487 -0.004 0.000 0.985 443 N HN 0.485 nan 8.380 nan 0.000 0.429 444 S N 0.545 116.243 115.700 -0.004 0.000 2.507 444 S HA 0.015 4.485 4.470 0.000 0.000 0.235 444 S C 0.858 175.457 174.600 -0.002 0.000 0.988 444 S CA -0.042 58.156 58.200 -0.003 0.000 0.944 444 S CB -0.627 62.570 63.200 -0.005 0.000 0.762 444 S HN 0.194 nan 8.310 nan 0.000 0.526 445 L N 2.512 123.733 121.223 -0.003 0.000 2.638 445 L HA 0.378 4.718 4.340 0.000 0.000 0.273 445 L C 0.357 177.231 176.870 0.007 0.000 1.147 445 L CA -0.158 54.681 54.840 -0.002 0.000 0.941 445 L CB -0.018 42.037 42.059 -0.006 0.000 1.251 445 L HN 0.399 nan 8.230 nan 0.000 0.479 446 A N 4.039 126.866 122.820 0.011 0.000 2.393 446 A HA 0.667 4.987 4.320 0.000 0.000 0.306 446 A C -0.694 176.912 177.584 0.036 0.000 1.050 446 A CA -0.548 51.506 52.037 0.027 0.000 0.724 446 A CB 1.647 20.665 19.000 0.029 0.000 1.248 446 A HN 0.293 nan 8.150 nan 0.000 0.424 447 V N 2.962 122.913 119.914 0.062 0.000 2.427 447 V HA 0.414 4.534 4.120 0.000 0.000 0.268 447 V C 1.040 177.224 176.094 0.150 0.000 1.046 447 V CA 0.281 62.630 62.300 0.080 0.000 0.970 447 V CB 0.568 32.444 31.823 0.088 0.000 1.001 447 V HN 1.051 nan 8.190 nan 0.000 0.476 448 T N 2.257 116.886 114.554 0.125 0.000 2.902 448 T HA 0.386 4.736 4.350 0.000 0.000 0.280 448 T C 0.952 175.801 174.700 0.249 0.000 0.992 448 T CA -0.592 61.593 62.100 0.142 0.000 1.015 448 T CB 1.242 70.158 68.868 0.080 0.000 1.044 448 T HN 0.401 nan 8.240 nan 0.000 0.520 449 M N 0.903 120.622 119.600 0.199 0.000 2.108 449 M HA -0.051 4.429 4.480 0.000 0.000 0.261 449 M C 1.716 178.150 176.300 0.224 0.000 1.066 449 M CA 1.926 57.352 55.300 0.211 0.000 1.107 449 M CB -1.276 31.378 32.600 0.090 0.000 1.356 449 M HN 0.900 nan 8.290 nan 0.000 0.406 450 D N -0.018 120.473 120.400 0.151 0.000 2.133 450 D HA -0.216 4.424 4.640 0.000 0.000 0.195 450 D C 1.413 177.811 176.300 0.163 0.000 0.997 450 D CA 1.832 55.911 54.000 0.132 0.000 0.840 450 D CB -0.234 40.616 40.800 0.083 0.000 0.947 450 D HN 0.481 nan 8.370 nan 0.000 0.452 451 D N -0.789 119.693 120.400 0.136 0.000 2.097 451 D HA -0.175 4.465 4.640 0.000 0.000 0.195 451 D C 2.105 178.450 176.300 0.075 0.000 0.989 451 D CA 0.742 54.791 54.000 0.081 0.000 0.827 451 D CB -0.561 40.220 40.800 -0.032 0.000 0.966 451 D HN 0.336 nan 8.370 nan 0.000 0.456 452 F N 1.249 121.260 119.950 0.101 0.000 2.126 452 F HA -0.094 4.433 4.527 0.000 0.000 0.299 452 F C 2.674 178.509 175.800 0.058 0.000 1.096 452 F CA 1.027 59.068 58.000 0.068 0.000 1.255 452 F CB -0.119 38.900 39.000 0.031 0.000 0.997 452 F HN -0.186 nan 8.300 nan 0.000 0.479 453 R N -1.417 119.232 120.500 0.248 0.000 2.120 453 R HA -0.222 4.118 4.340 0.000 0.000 0.234 453 R C 2.032 178.406 176.300 0.123 0.000 1.123 453 R CA 1.502 57.693 56.100 0.151 0.000 0.975 453 R CB -0.635 29.741 30.300 0.127 0.000 0.866 453 R HN 0.414 nan 8.270 nan 0.000 0.446 454 W N 0.799 122.111 121.300 0.020 0.000 2.409 454 W HA -0.075 4.586 4.660 0.001 0.000 0.299 454 W C 2.136 178.646 176.519 -0.015 0.000 1.203 454 W CA 1.552 58.895 57.345 -0.004 0.000 1.298 454 W CB -0.235 29.212 29.460 -0.020 0.000 1.127 454 W HN 0.053 nan 8.180 nan 0.000 0.528 455 A N 0.094 122.927 122.820 0.022 0.000 1.933 455 A HA -0.180 4.140 4.320 0.000 0.000 0.218 455 A C 2.006 179.486 177.584 -0.173 0.000 1.175 455 A CA 1.773 53.734 52.037 -0.127 0.000 0.628 455 A CB -1.022 17.939 19.000 -0.065 0.000 0.814 455 A HN 0.369 nan 8.150 nan 0.000 0.444 456 L N 0.396 121.570 121.223 -0.082 0.000 2.093 456 L HA -0.166 4.174 4.340 0.000 0.000 0.208 456 L C 2.971 179.772 176.870 -0.115 0.000 1.085 456 L CA 1.535 56.336 54.840 -0.066 0.000 0.755 456 L CB -0.322 41.730 42.059 -0.012 0.000 0.904 456 L HN 0.600 nan 8.230 nan 0.000 0.435 457 S N -1.262 114.320 115.700 -0.196 0.000 2.447 457 S HA -0.167 4.303 4.470 0.000 0.000 0.233 457 S C 1.769 176.201 174.600 -0.280 0.000 1.006 457 S CA 0.701 58.768 58.200 -0.223 0.000 0.957 457 S CB -0.150 62.895 63.200 -0.259 0.000 0.773 457 S HN 0.436 nan 8.310 nan 0.000 0.507 458 Q N 0.795 120.359 119.800 -0.393 0.000 2.384 458 Q HA 0.365 4.705 4.340 0.000 0.000 0.207 458 Q C 0.843 176.737 176.000 -0.176 0.000 0.904 458 Q CA 0.036 55.627 55.803 -0.353 0.000 0.933 458 Q CB 0.002 28.397 28.738 -0.572 0.000 1.077 458 Q HN 0.521 nan 8.270 nan 0.000 0.522 459 S N 1.310 116.950 115.700 -0.100 0.000 2.587 459 S HA 0.130 4.600 4.470 0.000 0.000 0.260 459 S C 0.055 174.661 174.600 0.010 0.000 1.353 459 S CA -0.109 58.106 58.200 0.025 0.000 0.995 459 S CB 0.361 63.679 63.200 0.198 0.000 0.912 459 S HN 0.250 nan 8.310 nan 0.000 0.568 460 N N 1.298 119.982 118.700 -0.027 0.000 2.369 460 N HA 0.381 5.121 4.740 0.000 0.000 0.287 460 N C -2.960 172.398 175.510 -0.254 0.000 1.067 460 N CA -1.223 51.759 53.050 -0.113 0.000 0.888 460 N CB 1.952 40.390 38.487 -0.082 0.000 1.616 460 N HN 0.386 nan 8.380 nan 0.000 0.482 461 P HA 0.152 nan 4.420 nan 0.000 0.278 461 P C -0.073 177.126 177.300 -0.167 0.000 1.238 461 P CA 0.217 63.169 63.100 -0.247 0.000 0.794 461 P CB 0.774 32.381 31.700 -0.155 0.000 0.955 462 S N 0.000 115.601 115.700 -0.164 0.000 2.498 462 S HA 0.000 4.470 4.470 0.000 0.000 0.327 462 S CA 0.000 58.138 58.200 -0.104 0.000 1.107 462 S CB 0.000 63.156 63.200 -0.074 0.000 0.593 462 S HN 0.000 nan 8.310 nan 0.000 0.517