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 3ofn_1_E DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.709 174.700 0.015 0.000 1.109 7 T CA 0.000 62.107 62.100 0.011 0.000 1.349 7 T CB 0.000 68.873 68.868 0.008 0.000 0.612 8 P HA 0.689 nan 4.420 nan 0.000 0.287 8 P C -0.249 177.079 177.300 0.046 0.000 1.270 8 P CA -0.779 62.339 63.100 0.029 0.000 0.844 8 P CB 0.873 32.590 31.700 0.029 0.000 1.068 9 I N 0.573 121.180 120.570 0.062 0.000 2.575 9 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 9 I C 0.551 176.790 176.117 0.203 0.000 1.085 9 I CA 0.472 61.841 61.300 0.115 0.000 1.403 9 I CB 0.670 38.713 38.000 0.072 0.000 1.409 9 I HN 0.313 nan 8.210 nan 0.000 0.557 10 T N 3.701 118.390 114.554 0.225 0.000 2.912 10 T HA 0.659 5.009 4.350 -0.000 0.000 0.299 10 T C -0.162 174.421 174.700 -0.195 0.000 1.052 10 T CA -0.572 61.584 62.100 0.093 0.000 0.996 10 T CB 1.865 70.740 68.868 0.012 0.000 1.070 10 T HN 0.846 nan 8.240 nan 0.000 0.465 11 G N 1.624 110.079 108.800 -0.575 0.000 2.816 11 G HA2 0.785 4.745 3.960 -0.000 0.000 0.288 11 G HA3 0.785 4.745 3.960 -0.000 0.000 0.288 11 G C -1.746 172.866 174.900 -0.480 0.000 1.334 11 G CA -0.908 43.539 45.100 -1.088 0.000 0.978 11 G HN 0.584 nan 8.290 nan 0.000 0.493 12 K N -0.241 119.938 120.400 -0.369 0.000 2.378 12 K HA 0.527 4.846 4.320 -0.000 0.000 0.252 12 K C -0.803 175.733 176.600 -0.107 0.000 0.931 12 K CA -0.729 55.464 56.287 -0.156 0.000 0.794 12 K CB 2.946 35.409 32.500 -0.062 0.000 1.181 12 K HN 0.232 nan 8.250 nan 0.000 0.425 13 V N 2.929 122.801 119.914 -0.071 0.000 2.446 13 V HA -0.018 4.102 4.120 -0.000 0.000 0.276 13 V C 1.183 177.262 176.094 -0.025 0.000 1.030 13 V CA 0.484 62.762 62.300 -0.037 0.000 1.033 13 V CB 0.394 32.201 31.823 -0.025 0.000 0.993 13 V HN 1.086 nan 8.190 nan 0.000 0.477 14 T N 1.167 115.714 114.554 -0.011 0.000 2.990 14 T HA 0.538 4.888 4.350 -0.000 0.000 0.250 14 T C 0.421 175.114 174.700 -0.012 0.000 1.041 14 T CA 0.473 62.561 62.100 -0.019 0.000 1.010 14 T CB 0.521 69.374 68.868 -0.024 0.000 1.003 14 T HN 0.913 nan 8.240 nan 0.000 0.499 15 A N 0.674 123.494 122.820 -0.001 0.000 2.459 15 A HA 0.691 5.010 4.320 -0.000 0.000 0.296 15 A C -1.348 176.239 177.584 0.004 0.000 1.039 15 A CA -0.673 51.365 52.037 0.001 0.000 0.698 15 A CB 1.932 20.936 19.000 0.007 0.000 1.261 15 A HN 0.256 nan 8.150 nan 0.000 0.405 16 V N 3.223 123.137 119.914 0.001 0.000 2.409 16 V HA 0.458 4.578 4.120 -0.000 0.000 0.290 16 V C -0.729 175.366 176.094 0.002 0.000 1.017 16 V CA -0.014 62.288 62.300 0.003 0.000 0.841 16 V CB 0.940 32.764 31.823 0.000 0.000 1.003 16 V HN 0.694 nan 8.190 nan 0.000 0.426 17 I N 4.341 124.914 120.570 0.004 0.000 2.782 17 I HA 0.635 4.805 4.170 -0.000 0.000 0.279 17 I C 1.122 177.241 176.117 0.002 0.000 1.247 17 I CA -0.091 61.211 61.300 0.003 0.000 1.062 17 I CB 0.918 38.921 38.000 0.004 0.000 1.421 17 I HN 0.755 nan 8.210 nan 0.000 0.558 18 G N 3.822 112.622 108.800 0.001 0.000 2.620 18 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.315 18 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.315 18 G C 0.997 175.898 174.900 0.002 0.000 1.179 18 G CA 0.700 45.800 45.100 0.000 0.000 0.971 18 G HN 0.727 nan 8.290 nan 0.000 0.544 19 A N -0.277 122.544 122.820 0.001 0.000 2.169 19 A HA 0.522 4.842 4.320 -0.000 0.000 0.212 19 A C 1.058 178.647 177.584 0.009 0.000 1.153 19 A CA 1.140 53.179 52.037 0.004 0.000 0.756 19 A CB -0.060 18.939 19.000 -0.001 0.000 0.813 19 A HN 0.630 nan 8.150 nan 0.000 0.471 20 I N 1.234 121.809 120.570 0.009 0.000 2.331 20 I HA 0.315 4.484 4.170 -0.000 0.000 0.292 20 I C -0.658 175.470 176.117 0.018 0.000 0.998 20 I CA -0.607 60.702 61.300 0.015 0.000 1.267 20 I CB 0.997 39.005 38.000 0.013 0.000 1.386 20 I HN -0.140 nan 8.210 nan 0.000 0.476 21 V N 5.661 125.591 119.914 0.027 0.000 2.444 21 V HA 0.336 4.456 4.120 -0.000 0.000 0.294 21 V C -0.587 175.533 176.094 0.042 0.000 1.022 21 V CA -0.820 61.498 62.300 0.029 0.000 0.850 21 V CB 2.039 33.879 31.823 0.029 0.000 0.992 21 V HN 0.546 nan 8.190 nan 0.000 0.426 22 D N 3.896 124.319 120.400 0.038 0.000 2.317 22 D HA 0.514 5.153 4.640 -0.000 0.000 0.234 22 D C -0.371 175.962 176.300 0.055 0.000 1.112 22 D CA 0.033 54.064 54.000 0.052 0.000 0.840 22 D CB 2.069 42.894 40.800 0.042 0.000 1.078 22 D HN 0.262 nan 8.370 nan 0.000 0.486 23 V N 2.749 122.716 119.914 0.087 0.000 2.555 23 V HA 0.230 4.350 4.120 -0.000 0.000 0.302 23 V C -0.070 176.088 176.094 0.107 0.000 1.038 23 V CA -0.875 61.462 62.300 0.061 0.000 0.887 23 V CB 2.157 34.021 31.823 0.068 0.000 0.991 23 V HN 0.565 nan 8.190 nan 0.000 0.434 24 H N 3.926 122.926 119.070 -0.116 0.000 2.476 24 H HA 0.582 5.138 4.556 -0.000 0.000 0.328 24 H C -1.664 173.524 175.328 -0.234 0.000 1.073 24 H CA -0.278 55.724 56.048 -0.076 0.000 1.229 24 H CB 1.315 31.034 29.762 -0.071 0.000 1.432 24 H HN 0.493 nan 8.280 nan 0.000 0.477 25 F N 1.374 120.962 119.950 -0.603 0.000 2.697 25 F HA 0.254 4.781 4.527 -0.000 0.000 0.386 25 F C 0.483 175.942 175.800 -0.569 0.000 1.154 25 F CA -0.882 56.844 58.000 -0.457 0.000 1.108 25 F CB 0.813 39.665 39.000 -0.247 0.000 1.429 25 F HN 0.464 nan 8.300 nan 0.000 0.509 26 E N 0.502 120.682 120.200 -0.034 0.000 2.283 26 E HA 0.098 4.448 4.350 -0.000 0.000 0.267 26 E C -0.585 175.996 176.600 -0.032 0.000 1.045 26 E CA -0.597 55.772 56.400 -0.053 0.000 0.884 26 E CB 0.863 30.561 29.700 -0.002 0.000 1.106 26 E HN 0.391 nan 8.360 nan 0.000 0.408 27 Q N 0.948 120.736 119.800 -0.021 0.000 2.304 27 Q HA -0.122 4.218 4.340 -0.000 0.000 0.315 27 Q C 0.240 176.227 176.000 -0.022 0.000 1.075 27 Q CA 1.345 57.139 55.803 -0.015 0.000 0.988 27 Q CB 0.211 28.950 28.738 0.002 0.000 1.146 27 Q HN 0.800 nan 8.270 nan 0.000 0.383 28 S N 1.363 117.043 115.700 -0.032 0.000 2.868 28 S HA -0.300 4.170 4.470 -0.000 0.000 0.270 28 S C 0.702 175.270 174.600 -0.054 0.000 1.300 28 S CA 1.756 59.935 58.200 -0.034 0.000 1.362 28 S CB -1.080 62.110 63.200 -0.017 0.000 1.685 28 S HN 0.879 nan 8.310 nan 0.000 0.682 29 E N 0.566 120.727 120.200 -0.064 0.000 2.476 29 E HA 0.312 4.662 4.350 -0.000 0.000 0.191 29 E C 0.103 176.577 176.600 -0.210 0.000 1.064 29 E CA -0.208 56.142 56.400 -0.083 0.000 0.866 29 E CB -0.022 29.668 29.700 -0.018 0.000 0.952 29 E HN 0.731 nan 8.360 nan 0.000 0.492 30 L N 3.301 124.379 121.223 -0.242 0.000 2.455 30 L HA 0.126 4.466 4.340 -0.000 0.000 0.272 30 L C -1.877 174.770 176.870 -0.371 0.000 1.174 30 L CA -1.542 53.045 54.840 -0.421 0.000 0.869 30 L CB 0.011 41.809 42.059 -0.435 0.000 1.130 30 L HN -0.012 nan 8.230 nan 0.000 0.474 31 P HA 0.125 nan 4.420 nan 0.000 0.276 31 P C -0.413 176.874 177.300 -0.022 0.000 1.253 31 P CA -0.380 62.545 63.100 -0.292 0.000 0.766 31 P CB 0.973 32.436 31.700 -0.394 0.000 0.845 32 A N 5.044 127.868 122.820 0.005 0.000 2.555 32 A HA 0.053 4.373 4.320 -0.000 0.000 0.233 32 A C 0.710 178.288 177.584 -0.009 0.000 1.060 32 A CA -0.205 51.844 52.037 0.019 0.000 0.759 32 A CB -0.543 18.437 19.000 -0.033 0.000 0.995 32 A HN 0.571 nan 8.150 nan 0.000 0.506 33 I N 1.325 121.839 120.570 -0.094 0.000 2.775 33 I HA -0.073 4.097 4.170 -0.000 0.000 0.290 33 I C 0.770 176.830 176.117 -0.095 0.000 1.203 33 I CA 0.858 62.099 61.300 -0.098 0.000 1.433 33 I CB 0.141 38.037 38.000 -0.173 0.000 1.354 33 I HN 0.718 nan 8.210 nan 0.000 0.579 34 L N 2.294 123.470 121.223 -0.078 0.000 4.885 34 L HA -0.245 4.095 4.340 -0.000 0.000 0.404 34 L C -0.124 176.761 176.870 0.025 0.000 0.970 34 L CA -0.017 54.774 54.840 -0.081 0.000 1.426 34 L CB -1.951 39.934 42.059 -0.291 0.000 1.934 34 L HN 0.689 nan 8.230 nan 0.000 0.613 35 N N 1.418 120.125 118.700 0.012 0.000 2.497 35 N HA 0.525 5.265 4.740 -0.000 0.000 0.271 35 N C 0.359 175.892 175.510 0.039 0.000 1.142 35 N CA 0.792 53.854 53.050 0.021 0.000 0.965 35 N CB 1.180 39.660 38.487 -0.012 0.000 1.077 35 N HN 0.311 nan 8.380 nan 0.000 0.462 36 A N 2.937 125.783 122.820 0.045 0.000 2.401 36 A HA 0.498 4.818 4.320 -0.000 0.000 0.259 36 A C -0.317 177.296 177.584 0.048 0.000 1.103 36 A CA -0.289 51.776 52.037 0.048 0.000 0.789 36 A CB -0.015 19.009 19.000 0.039 0.000 1.035 36 A HN 0.658 nan 8.150 nan 0.000 0.491 37 L N 1.818 123.079 121.223 0.063 0.000 2.354 37 L HA 0.571 4.911 4.340 -0.000 0.000 0.269 37 L C 0.050 176.960 176.870 0.067 0.000 1.005 37 L CA -0.519 54.372 54.840 0.086 0.000 0.819 37 L CB 1.841 43.981 42.059 0.136 0.000 1.311 37 L HN 0.720 nan 8.230 nan 0.000 0.423 38 E N 2.387 122.625 120.200 0.063 0.000 2.207 38 E HA 0.649 4.999 4.350 -0.000 0.000 0.270 38 E C -1.205 175.415 176.600 0.034 0.000 0.927 38 E CA -0.708 55.716 56.400 0.041 0.000 0.799 38 E CB 3.187 32.906 29.700 0.032 0.000 1.172 38 E HN 0.418 nan 8.360 nan 0.000 0.404 39 I N 2.235 122.819 120.570 0.022 0.000 2.500 39 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 39 I C 0.074 176.196 176.117 0.009 0.000 1.063 39 I CA -0.554 60.754 61.300 0.013 0.000 1.062 39 I CB 1.575 39.581 38.000 0.010 0.000 1.223 39 I HN 0.441 nan 8.210 nan 0.000 0.435 40 K N 3.658 124.061 120.400 0.006 0.000 2.382 40 K HA 0.582 4.902 4.320 -0.000 0.000 0.275 40 K C 0.048 176.649 176.600 0.002 0.000 1.009 40 K CA -0.085 56.205 56.287 0.004 0.000 0.970 40 K CB 0.248 32.750 32.500 0.002 0.000 0.934 40 K HN 0.711 nan 8.250 nan 0.000 0.479 41 T N -0.962 113.593 114.554 0.002 0.000 2.883 41 T HA 0.628 4.978 4.350 -0.000 0.000 0.296 41 T C -1.833 172.867 174.700 0.000 0.000 1.117 41 T CA -0.946 61.154 62.100 0.000 0.000 1.006 41 T CB 1.884 70.752 68.868 0.001 0.000 1.191 41 T HN 0.362 nan 8.240 nan 0.000 0.508 42 P HA -0.227 nan 4.420 nan 0.000 0.215 42 P C 1.639 178.938 177.300 -0.000 0.000 1.153 42 P CA 1.464 64.564 63.100 -0.001 0.000 0.853 42 P CB 0.067 31.766 31.700 -0.001 0.000 0.788 43 Q N -0.347 119.453 119.800 -0.000 0.000 2.084 43 Q HA 0.049 4.388 4.340 -0.000 0.000 0.202 43 Q C 1.400 177.400 176.000 0.000 0.000 0.978 43 Q CA 1.825 57.628 55.803 -0.000 0.000 0.844 43 Q CB -0.490 28.248 28.738 -0.000 0.000 0.898 43 Q HN 0.290 nan 8.270 nan 0.000 0.426 44 G N 1.042 109.842 108.800 0.001 0.000 2.401 44 G HA2 0.105 4.065 3.960 -0.000 0.000 0.068 44 G HA3 0.105 4.065 3.960 -0.000 0.000 0.068 44 G C -1.510 173.391 174.900 0.002 0.000 0.911 44 G CA -0.207 44.894 45.100 0.001 0.000 1.242 44 G HN 0.323 nan 8.290 nan 0.000 0.504 45 K N -0.279 120.124 120.400 0.004 0.000 2.422 45 K HA 0.767 5.087 4.320 -0.000 0.000 0.251 45 K C -1.743 174.862 176.600 0.008 0.000 0.933 45 K CA -0.907 55.384 56.287 0.006 0.000 0.798 45 K CB 2.820 35.324 32.500 0.007 0.000 1.238 45 K HN 0.763 nan 8.250 nan 0.000 0.428 46 L N 3.068 124.297 121.223 0.010 0.000 2.277 46 L HA 0.335 4.675 4.340 -0.000 0.000 0.284 46 L C -1.403 175.478 176.870 0.019 0.000 1.028 46 L CA -0.463 54.384 54.840 0.012 0.000 0.835 46 L CB 1.460 43.525 42.059 0.011 0.000 1.215 46 L HN 0.539 nan 8.230 nan 0.000 0.425 47 V N 6.561 126.487 119.914 0.020 0.000 2.432 47 V HA 0.374 4.494 4.120 -0.000 0.000 0.275 47 V C 0.322 176.436 176.094 0.033 0.000 1.043 47 V CA -0.398 61.918 62.300 0.026 0.000 0.925 47 V CB 1.187 33.023 31.823 0.022 0.000 0.985 47 V HN 0.634 nan 8.190 nan 0.000 0.466 48 L N 4.295 125.544 121.223 0.044 0.000 2.325 48 L HA 0.656 4.995 4.340 -0.000 0.000 0.278 48 L C 0.011 176.916 176.870 0.058 0.000 1.023 48 L CA -0.485 54.386 54.840 0.050 0.000 0.811 48 L CB 1.703 43.799 42.059 0.060 0.000 1.249 48 L HN 0.589 nan 8.230 nan 0.000 0.431 49 E N 1.678 121.913 120.200 0.059 0.000 2.145 49 E HA 0.348 4.698 4.350 -0.000 0.000 0.270 49 E C -1.092 175.543 176.600 0.058 0.000 0.906 49 E CA -0.777 55.663 56.400 0.066 0.000 0.761 49 E CB 2.016 31.768 29.700 0.087 0.000 1.116 49 E HN 0.358 nan 8.360 nan 0.000 0.408 50 V N 3.807 123.754 119.914 0.054 0.000 2.599 50 V HA 0.061 4.181 4.120 -0.000 0.000 0.300 50 V C 0.883 176.993 176.094 0.027 0.000 1.034 50 V CA 1.166 63.499 62.300 0.055 0.000 1.115 50 V CB 0.907 32.765 31.823 0.058 0.000 0.934 50 V HN 0.901 nan 8.190 nan 0.000 0.485 51 A N 3.968 126.808 122.820 0.034 0.000 2.009 51 A HA 0.348 4.668 4.320 -0.000 0.000 0.197 51 A C 0.635 178.220 177.584 0.002 0.000 1.471 51 A CA 0.061 52.100 52.037 0.004 0.000 0.973 51 A CB 0.465 19.470 19.000 0.010 0.000 1.020 51 A HN 0.740 nan 8.150 nan 0.000 0.476 52 Q N -0.589 119.242 119.800 0.051 0.000 2.421 52 Q HA 0.406 4.746 4.340 -0.000 0.000 0.280 52 Q C -1.644 174.477 176.000 0.202 0.000 1.085 52 Q CA -0.544 55.299 55.803 0.067 0.000 0.807 52 Q CB 2.076 30.844 28.738 0.050 0.000 1.405 52 Q HN 0.616 nan 8.270 nan 0.000 0.419 53 H N 2.370 121.439 119.070 -0.002 0.000 2.685 53 H HA 0.209 4.764 4.556 -0.000 0.000 0.286 53 H C 0.632 175.969 175.328 0.015 0.000 1.102 53 H CA -0.283 55.769 56.048 0.006 0.000 1.254 53 H CB 0.913 30.671 29.762 -0.007 0.000 1.397 53 H HN 0.475 nan 8.280 nan 0.000 0.473 54 L N 2.731 124.024 121.223 0.117 0.000 2.109 54 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 54 L C 1.261 178.169 176.870 0.064 0.000 1.086 54 L CA 0.923 55.808 54.840 0.076 0.000 0.760 54 L CB -0.030 42.064 42.059 0.059 0.000 0.910 54 L HN 0.845 nan 8.230 nan 0.000 0.437 55 G N -0.883 107.951 108.800 0.058 0.000 2.423 55 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.684 55 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.684 55 G C -0.485 174.445 174.900 0.050 0.000 1.309 55 G CA -0.514 44.613 45.100 0.045 0.000 0.950 55 G HN 0.128 nan 8.290 nan 0.000 0.587 56 E N -0.158 120.074 120.200 0.053 0.000 2.513 56 E HA -0.241 4.109 4.350 -0.000 0.000 0.257 56 E C 0.645 177.336 176.600 0.152 0.000 1.098 56 E CA 1.001 57.450 56.400 0.080 0.000 0.752 56 E CB -1.807 27.929 29.700 0.061 0.000 1.324 56 E HN 1.479 nan 8.360 nan 0.000 0.403 57 N N -1.009 117.742 118.700 0.084 0.000 2.710 57 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 57 N C -0.801 174.771 175.510 0.103 0.000 1.059 57 N CA 1.878 54.951 53.050 0.038 0.000 0.720 57 N CB -1.184 37.284 38.487 -0.031 0.000 0.983 57 N HN 0.382 nan 8.380 nan 0.000 0.544 58 T N -0.508 114.110 114.554 0.107 0.000 2.833 58 T HA 0.493 4.843 4.350 -0.000 0.000 0.297 58 T C 0.740 175.487 174.700 0.078 0.000 1.015 58 T CA -0.777 61.404 62.100 0.135 0.000 0.963 58 T CB 1.929 70.876 68.868 0.132 0.000 0.955 58 T HN 0.144 nan 8.240 nan 0.000 0.449 59 V N 1.655 121.628 119.914 0.099 0.000 2.904 59 V HA 0.686 4.806 4.120 -0.000 0.000 0.305 59 V C 0.208 176.365 176.094 0.105 0.000 1.067 59 V CA -1.227 61.130 62.300 0.094 0.000 1.044 59 V CB 1.100 32.983 31.823 0.099 0.000 1.050 59 V HN 0.857 nan 8.190 nan 0.000 0.475 60 R N 1.731 122.291 120.500 0.099 0.000 2.387 60 R HA 0.660 5.000 4.340 -0.000 0.000 0.314 60 R C -0.215 176.127 176.300 0.071 0.000 0.958 60 R CA 0.162 56.306 56.100 0.075 0.000 0.846 60 R CB 1.508 31.842 30.300 0.058 0.000 1.147 60 R HN 1.163 nan 8.270 nan 0.000 0.447 61 T N 2.172 116.764 114.554 0.063 0.000 2.932 61 T HA 0.567 4.917 4.350 -0.000 0.000 0.289 61 T C 0.213 174.937 174.700 0.041 0.000 1.039 61 T CA -1.015 61.120 62.100 0.057 0.000 1.024 61 T CB 1.093 70.002 68.868 0.068 0.000 1.090 61 T HN 0.591 nan 8.240 nan 0.000 0.496 62 I N 0.063 120.656 120.570 0.038 0.000 2.441 62 I HA 0.834 5.003 4.170 -0.000 0.000 0.295 62 I C 0.200 176.335 176.117 0.030 0.000 0.994 62 I CA -1.416 59.901 61.300 0.028 0.000 1.144 62 I CB 1.302 39.315 38.000 0.022 0.000 1.314 62 I HN 0.882 nan 8.210 nan 0.000 0.445 63 A N 6.682 129.516 122.820 0.023 0.000 2.332 63 A HA 0.569 4.889 4.320 -0.000 0.000 0.258 63 A C 0.577 178.173 177.584 0.019 0.000 1.087 63 A CA -0.552 51.498 52.037 0.022 0.000 0.802 63 A CB 0.664 19.674 19.000 0.016 0.000 1.042 63 A HN 0.887 nan 8.150 nan 0.000 0.489 64 M N 0.638 120.249 119.600 0.019 0.000 2.404 64 M HA 0.251 4.730 4.480 -0.000 0.000 0.271 64 M C -0.519 175.787 176.300 0.011 0.000 1.128 64 M CA 0.354 55.663 55.300 0.015 0.000 0.982 64 M CB -0.840 31.770 32.600 0.016 0.000 1.445 64 M HN 0.803 nan 8.290 nan 0.000 0.495 65 D N -1.072 119.334 120.400 0.010 0.000 2.713 65 D HA 0.478 5.118 4.640 -0.000 0.000 0.306 65 D C -0.423 175.881 176.300 0.005 0.000 1.299 65 D CA -0.120 53.884 54.000 0.007 0.000 0.823 65 D CB 1.168 41.972 40.800 0.007 0.000 1.353 65 D HN 0.141 nan 8.370 nan 0.000 0.447 66 G N -1.114 107.688 108.800 0.003 0.000 2.630 66 G HA2 0.365 4.325 3.960 -0.000 0.000 0.236 66 G HA3 0.365 4.325 3.960 -0.000 0.000 0.236 66 G C 0.744 175.646 174.900 0.003 0.000 1.248 66 G CA 0.664 45.765 45.100 0.002 0.000 0.844 66 G HN 0.447 nan 8.290 nan 0.000 0.588 67 T N -2.260 112.296 114.554 0.003 0.000 3.084 67 T HA 0.235 4.585 4.350 -0.000 0.000 0.270 67 T C 0.502 175.202 174.700 0.001 0.000 1.008 67 T CA -0.055 62.047 62.100 0.003 0.000 0.900 67 T CB -0.227 68.644 68.868 0.005 0.000 1.084 67 T HN 0.722 nan 8.240 nan 0.000 0.538 68 E N 1.311 121.511 120.200 -0.000 0.000 2.481 68 E HA 0.371 4.721 4.350 -0.000 0.000 0.263 68 E C 1.373 177.972 176.600 -0.002 0.000 0.992 68 E CA 0.378 56.777 56.400 -0.001 0.000 0.938 68 E CB -0.381 29.318 29.700 -0.002 0.000 0.933 68 E HN 0.316 nan 8.360 nan 0.000 0.453 69 G N 2.292 111.090 108.800 -0.003 0.000 2.212 69 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.266 69 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.266 69 G C 0.214 175.111 174.900 -0.004 0.000 0.978 69 G CA 0.110 45.208 45.100 -0.003 0.000 0.632 69 G HN 0.498 nan 8.290 nan 0.000 0.537 70 L N 1.202 122.423 121.223 -0.003 0.000 2.540 70 L HA 0.351 4.690 4.340 -0.000 0.000 0.276 70 L C 0.657 177.523 176.870 -0.007 0.000 1.212 70 L CA -0.023 54.815 54.840 -0.004 0.000 0.893 70 L CB 0.832 42.890 42.059 -0.002 0.000 1.138 70 L HN 0.055 nan 8.230 nan 0.000 0.491 71 V N 4.980 124.888 119.914 -0.010 0.000 2.547 71 V HA 0.364 4.484 4.120 -0.000 0.000 0.299 71 V C 0.233 176.318 176.094 -0.015 0.000 1.040 71 V CA -0.941 61.352 62.300 -0.012 0.000 0.913 71 V CB 1.730 33.545 31.823 -0.013 0.000 0.992 71 V HN 0.663 nan 8.190 nan 0.000 0.449 72 R N 2.431 122.921 120.500 -0.017 0.000 2.449 72 R HA 0.431 4.771 4.340 -0.000 0.000 0.296 72 R C 1.279 177.564 176.300 -0.026 0.000 1.047 72 R CA 1.022 57.110 56.100 -0.021 0.000 1.018 72 R CB 0.171 30.457 30.300 -0.022 0.000 0.962 72 R HN 1.178 nan 8.270 nan 0.000 0.428 73 G N 2.008 110.789 108.800 -0.031 0.000 2.307 73 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.210 73 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.210 73 G C 0.115 174.992 174.900 -0.038 0.000 1.005 73 G CA -0.134 44.945 45.100 -0.035 0.000 0.634 73 G HN 0.629 nan 8.290 nan 0.000 0.496 74 E N 2.066 122.246 120.200 -0.033 0.000 2.608 74 E HA 0.149 4.499 4.350 -0.000 0.000 0.259 74 E C 0.377 176.949 176.600 -0.045 0.000 0.951 74 E CA 0.186 56.568 56.400 -0.032 0.000 0.945 74 E CB 0.218 29.904 29.700 -0.023 0.000 0.916 74 E HN 0.415 nan 8.360 nan 0.000 0.477 75 K N 2.369 122.743 120.400 -0.044 0.000 2.489 75 K HA 0.085 4.404 4.320 -0.000 0.000 0.278 75 K C -0.683 175.884 176.600 -0.055 0.000 1.000 75 K CA -0.113 56.139 56.287 -0.058 0.000 1.012 75 K CB 0.894 33.370 32.500 -0.040 0.000 0.903 75 K HN 0.242 nan 8.250 nan 0.000 0.485 76 V N 4.329 124.190 119.914 -0.088 0.000 2.540 76 V HA 0.260 4.380 4.120 -0.000 0.000 0.302 76 V C -0.785 175.309 176.094 0.001 0.000 1.035 76 V CA -1.030 61.240 62.300 -0.050 0.000 0.873 76 V CB 1.518 33.288 31.823 -0.087 0.000 0.992 76 V HN 0.535 nan 8.190 nan 0.000 0.428 77 L N 3.813 125.069 121.223 0.056 0.000 2.272 77 L HA 0.646 4.986 4.340 -0.000 0.000 0.289 77 L C -0.251 176.705 176.870 0.142 0.000 1.032 77 L CA 0.091 54.986 54.840 0.092 0.000 0.810 77 L CB 1.336 43.427 42.059 0.053 0.000 1.205 77 L HN 0.733 nan 8.230 nan 0.000 0.422 78 D N 2.129 122.646 120.400 0.196 0.000 2.351 78 D HA 0.123 4.763 4.640 -0.000 0.000 0.251 78 D C 1.060 177.394 176.300 0.057 0.000 1.137 78 D CA 0.486 54.561 54.000 0.125 0.000 0.879 78 D CB 1.563 42.396 40.800 0.055 0.000 1.181 78 D HN 0.729 nan 8.370 nan 0.000 0.448 79 T N 0.777 115.352 114.554 0.035 0.000 3.081 79 T HA 0.257 4.607 4.350 -0.000 0.000 0.255 79 T C 1.541 176.245 174.700 0.006 0.000 1.113 79 T CA 0.715 62.828 62.100 0.021 0.000 1.082 79 T CB -0.122 68.758 68.868 0.020 0.000 0.939 79 T HN 0.704 nan 8.240 nan 0.000 0.506 80 G N 0.038 108.834 108.800 -0.007 0.000 2.253 80 G HA2 0.043 4.003 3.960 -0.000 0.000 0.251 80 G HA3 0.043 4.003 3.960 -0.000 0.000 0.251 80 G C 0.453 175.345 174.900 -0.014 0.000 0.998 80 G CA -0.217 44.872 45.100 -0.018 0.000 0.621 80 G HN 1.280 nan 8.290 nan 0.000 0.524 81 G N -0.836 107.962 108.800 -0.003 0.000 2.788 81 G HA2 0.771 4.731 3.960 -0.000 0.000 0.293 81 G HA3 0.771 4.731 3.960 -0.000 0.000 0.293 81 G C -3.210 171.703 174.900 0.022 0.000 1.392 81 G CA -0.384 44.720 45.100 0.006 0.000 0.810 81 G HN 0.206 nan 8.290 nan 0.000 0.508 82 P HA 0.296 nan 4.420 nan 0.000 0.273 82 P C 0.144 177.472 177.300 0.045 0.000 1.250 82 P CA -0.470 62.677 63.100 0.079 0.000 0.793 82 P CB 0.583 32.356 31.700 0.123 0.000 1.011 83 I N 0.303 120.900 120.570 0.046 0.000 2.828 83 I HA -0.041 4.129 4.170 -0.000 0.000 0.292 83 I C 0.695 176.797 176.117 -0.025 0.000 1.206 83 I CA 0.906 62.207 61.300 0.001 0.000 1.420 83 I CB -0.536 37.453 38.000 -0.018 0.000 1.368 83 I HN 0.322 nan 8.210 nan 0.000 0.556 84 S N 6.229 121.914 115.700 -0.026 0.000 2.532 84 S HA 0.822 5.292 4.470 -0.000 0.000 0.301 84 S C -0.461 174.108 174.600 -0.052 0.000 1.083 84 S CA -0.836 57.341 58.200 -0.039 0.000 1.025 84 S CB 2.169 65.351 63.200 -0.031 0.000 1.056 84 S HN 0.521 nan 8.310 nan 0.000 0.494 85 V N -1.875 117.997 119.914 -0.070 0.000 2.823 85 V HA 0.744 4.864 4.120 -0.000 0.000 0.312 85 V C -3.265 172.763 176.094 -0.110 0.000 1.072 85 V CA -3.015 59.237 62.300 -0.080 0.000 0.937 85 V CB 1.158 32.932 31.823 -0.082 0.000 1.013 85 V HN 0.670 nan 8.190 nan 0.000 0.430 86 P HA 0.310 nan 4.420 nan 0.000 0.265 86 P C -0.276 176.898 177.300 -0.211 0.000 1.193 86 P CA 0.249 63.262 63.100 -0.145 0.000 0.765 86 P CB 0.887 32.526 31.700 -0.102 0.000 0.823 87 V N 0.052 119.759 119.914 -0.345 0.000 3.158 87 V HA 0.997 5.117 4.120 -0.000 0.000 0.315 87 V C 0.301 176.015 176.094 -0.634 0.000 1.148 87 V CA -0.233 61.719 62.300 -0.581 0.000 1.042 87 V CB 1.031 32.284 31.823 -0.950 0.000 1.101 87 V HN 0.931 nan 8.190 nan 0.000 0.448 88 G N 1.076 109.413 108.800 -0.772 0.000 2.685 88 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.387 88 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.387 88 G C 0.062 175.068 174.900 0.177 0.000 1.324 88 G CA 0.280 45.236 45.100 -0.240 0.000 0.878 88 G HN 1.000 nan 8.290 nan 0.000 0.527 89 R N 0.368 121.057 120.500 0.315 0.000 2.189 89 R HA 0.204 4.544 4.340 -0.000 0.000 0.223 89 R C 2.861 179.189 176.300 0.046 0.000 1.092 89 R CA 1.980 58.191 56.100 0.185 0.000 0.989 89 R CB -0.379 29.987 30.300 0.110 0.000 0.876 89 R HN 0.881 nan 8.270 nan 0.000 0.457 90 E N 0.741 120.961 120.200 0.033 0.000 2.401 90 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 90 E C 1.695 178.291 176.600 -0.007 0.000 1.023 90 E CA 1.536 57.935 56.400 -0.002 0.000 0.859 90 E CB -0.742 28.947 29.700 -0.019 0.000 0.780 90 E HN 0.585 nan 8.360 nan 0.000 0.523 91 T N -2.142 112.418 114.554 0.009 0.000 3.040 91 T HA 0.261 4.611 4.350 -0.000 0.000 0.252 91 T C 1.131 175.847 174.700 0.026 0.000 1.064 91 T CA -0.268 61.840 62.100 0.013 0.000 1.110 91 T CB -0.438 68.438 68.868 0.013 0.000 0.921 91 T HN 0.313 nan 8.240 nan 0.000 0.480 92 L N 2.245 123.474 121.223 0.010 0.000 2.601 92 L HA 0.348 4.688 4.340 -0.000 0.000 0.277 92 L C 1.762 178.611 176.870 -0.035 0.000 1.219 92 L CA 1.118 55.920 54.840 -0.064 0.000 0.915 92 L CB -0.172 41.721 42.059 -0.277 0.000 1.160 92 L HN 0.656 nan 8.230 nan 0.000 0.494 93 G N 2.020 110.824 108.800 0.006 0.000 2.199 93 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 93 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 93 G C 0.428 175.384 174.900 0.094 0.000 0.982 93 G CA -0.312 44.820 45.100 0.052 0.000 0.632 93 G HN 0.511 nan 8.290 nan 0.000 0.529 94 R N -0.257 120.278 120.500 0.058 0.000 2.700 94 R HA 0.785 5.125 4.340 -0.000 0.000 0.253 94 R C 0.135 176.446 176.300 0.018 0.000 1.091 94 R CA -0.860 55.265 56.100 0.041 0.000 1.104 94 R CB 0.733 31.043 30.300 0.017 0.000 1.202 94 R HN 0.278 nan 8.270 nan 0.000 0.532 95 I N 1.947 122.502 120.570 -0.025 0.000 2.389 95 I HA 0.417 4.587 4.170 -0.000 0.000 0.288 95 I C -0.373 175.739 176.117 -0.008 0.000 0.999 95 I CA -0.537 60.744 61.300 -0.032 0.000 1.129 95 I CB 1.343 39.261 38.000 -0.136 0.000 1.288 95 I HN 0.266 nan 8.210 nan 0.000 0.444 96 I N 6.087 126.660 120.570 0.006 0.000 2.498 96 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 96 I C -0.147 175.976 176.117 0.010 0.000 1.032 96 I CA -0.627 60.670 61.300 -0.003 0.000 1.073 96 I CB 1.903 39.891 38.000 -0.021 0.000 1.251 96 I HN 0.609 nan 8.210 nan 0.000 0.426 97 N N 5.000 123.706 118.700 0.011 0.000 2.431 97 N HA 0.123 4.862 4.740 -0.000 0.000 0.289 97 N C 0.709 176.218 175.510 -0.001 0.000 1.277 97 N CA -0.604 52.459 53.050 0.020 0.000 0.972 97 N CB 0.305 38.803 38.487 0.019 0.000 1.143 97 N HN 0.343 nan 8.380 nan 0.000 0.578 98 V N -0.425 119.490 119.914 0.002 0.000 2.407 98 V HA -0.100 4.019 4.120 -0.000 0.000 0.248 98 V C 1.655 177.735 176.094 -0.024 0.000 1.055 98 V CA 1.649 63.941 62.300 -0.013 0.000 1.049 98 V CB -0.830 30.990 31.823 -0.004 0.000 0.662 98 V HN 0.658 nan 8.190 nan 0.000 0.455 99 I N -2.162 118.399 120.570 -0.015 0.000 3.749 99 I HA 0.468 4.638 4.170 -0.000 0.000 0.314 99 I C 1.423 177.525 176.117 -0.024 0.000 1.267 99 I CA 0.752 62.041 61.300 -0.018 0.000 1.169 99 I CB -0.416 37.580 38.000 -0.007 0.000 1.009 99 I HN 0.313 nan 8.210 nan 0.000 0.444 100 G N 0.946 109.730 108.800 -0.028 0.000 2.195 100 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.246 100 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.246 100 G C 0.035 174.918 174.900 -0.027 0.000 0.984 100 G CA 0.002 45.081 45.100 -0.035 0.000 0.633 100 G HN 0.615 nan 8.290 nan 0.000 0.525 101 E N 2.018 122.207 120.200 -0.018 0.000 2.404 101 E HA 0.320 4.670 4.350 -0.000 0.000 0.261 101 E C -2.281 174.312 176.600 -0.013 0.000 1.074 101 E CA -1.176 55.215 56.400 -0.014 0.000 0.917 101 E CB 0.751 30.446 29.700 -0.008 0.000 0.965 101 E HN 0.255 nan 8.360 nan 0.000 0.433 102 P HA 0.117 nan 4.420 nan 0.000 0.281 102 P C -0.268 177.024 177.300 -0.012 0.000 1.252 102 P CA 0.097 63.189 63.100 -0.012 0.000 0.778 102 P CB 0.155 31.849 31.700 -0.011 0.000 0.895 103 I N 0.270 120.830 120.570 -0.017 0.000 2.997 103 I HA 0.386 4.556 4.170 -0.000 0.000 0.329 103 I C -0.379 175.707 176.117 -0.052 0.000 1.367 103 I CA -0.430 60.856 61.300 -0.024 0.000 0.902 103 I CB 0.191 38.183 38.000 -0.013 0.000 2.104 103 I HN 0.069 nan 8.210 nan 0.000 0.581 104 D N 0.045 120.421 120.400 -0.041 0.000 2.530 104 D HA 0.016 4.656 4.640 -0.000 0.000 0.253 104 D C 0.302 176.605 176.300 0.006 0.000 1.338 104 D CA -0.301 53.672 54.000 -0.046 0.000 0.806 104 D CB -0.103 40.658 40.800 -0.065 0.000 1.160 104 D HN 0.403 nan 8.370 nan 0.000 0.514 105 E N 0.559 120.761 120.200 0.004 0.000 2.360 105 E HA -0.241 4.109 4.350 -0.000 0.000 0.238 105 E C -0.439 176.174 176.600 0.021 0.000 1.186 105 E CA 0.399 56.807 56.400 0.014 0.000 0.719 105 E CB -0.944 28.768 29.700 0.018 0.000 1.236 105 E HN 0.452 nan 8.360 nan 0.000 0.386 106 R N 0.058 120.570 120.500 0.019 0.000 2.881 106 R HA 0.328 4.668 4.340 -0.000 0.000 0.331 106 R C 0.686 176.994 176.300 0.013 0.000 1.207 106 R CA 0.106 56.220 56.100 0.022 0.000 1.265 106 R CB 1.072 31.393 30.300 0.035 0.000 1.351 106 R HN 0.291 nan 8.270 nan 0.000 0.613 107 G N 2.655 111.460 108.800 0.008 0.000 2.682 107 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 107 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 107 G C -2.199 172.701 174.900 -0.000 0.000 1.333 107 G CA -0.834 44.269 45.100 0.004 0.000 0.904 107 G HN 0.258 nan 8.290 nan 0.000 0.569 108 P HA 0.532 nan 4.420 nan 0.000 0.279 108 P C -0.177 177.117 177.300 -0.011 0.000 1.282 108 P CA -0.529 62.566 63.100 -0.008 0.000 0.788 108 P CB 0.405 32.100 31.700 -0.009 0.000 1.139 109 I N 0.096 120.655 120.570 -0.018 0.000 2.287 109 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 109 I C 1.104 177.204 176.117 -0.028 0.000 1.069 109 I CA -0.146 61.139 61.300 -0.024 0.000 1.237 109 I CB 0.085 38.064 38.000 -0.035 0.000 1.418 109 I HN 0.110 nan 8.210 nan 0.000 0.481 110 K N 5.187 125.574 120.400 -0.020 0.000 2.228 110 K HA 0.267 4.587 4.320 -0.000 0.000 0.284 110 K C -0.226 176.358 176.600 -0.028 0.000 1.088 110 K CA 0.135 56.411 56.287 -0.019 0.000 0.941 110 K CB 0.300 32.795 32.500 -0.010 0.000 1.158 110 K HN 0.659 nan 8.250 nan 0.000 0.438 111 S N 2.208 117.883 115.700 -0.042 0.000 2.599 111 S HA 0.496 4.965 4.470 -0.000 0.000 0.287 111 S C 0.861 175.423 174.600 -0.064 0.000 1.105 111 S CA -0.260 57.900 58.200 -0.066 0.000 0.899 111 S CB 1.627 64.763 63.200 -0.108 0.000 1.100 111 S HN 0.569 nan 8.310 nan 0.000 0.482 112 K N 1.987 122.343 120.400 -0.074 0.000 1.973 112 K HA 0.325 4.645 4.320 -0.000 0.000 0.210 112 K C 0.936 177.496 176.600 -0.066 0.000 1.045 112 K CA 1.705 57.962 56.287 -0.050 0.000 0.937 112 K CB -1.327 31.161 32.500 -0.020 0.000 0.721 112 K HN 0.658 nan 8.250 nan 0.000 0.438 113 L N -1.537 119.613 121.223 -0.121 0.000 2.235 113 L HA 0.630 4.970 4.340 -0.000 0.000 0.260 113 L C -0.465 176.317 176.870 -0.146 0.000 1.025 113 L CA -1.504 53.270 54.840 -0.109 0.000 0.836 113 L CB 2.254 44.263 42.059 -0.084 0.000 1.395 113 L HN 0.208 nan 8.230 nan 0.000 0.443 114 R N 0.562 120.997 120.500 -0.108 0.000 2.514 114 R HA 0.424 4.764 4.340 -0.000 0.000 0.296 114 R C -1.212 175.040 176.300 -0.080 0.000 1.012 114 R CA -0.974 55.060 56.100 -0.111 0.000 0.897 114 R CB 2.102 32.355 30.300 -0.079 0.000 1.184 114 R HN 0.319 nan 8.270 nan 0.000 0.440 115 K N 2.810 123.158 120.400 -0.087 0.000 2.107 115 K HA 0.358 4.677 4.320 -0.000 0.000 0.251 115 K C -2.212 174.364 176.600 -0.040 0.000 1.012 115 K CA -1.922 54.339 56.287 -0.042 0.000 0.920 115 K CB 0.755 33.242 32.500 -0.020 0.000 1.033 115 K HN 0.341 nan 8.250 nan 0.000 0.478 116 P HA 0.154 nan 4.420 nan 0.000 0.278 116 P C 0.813 178.092 177.300 -0.036 0.000 1.238 116 P CA -0.285 62.806 63.100 -0.014 0.000 0.794 116 P CB 0.448 32.158 31.700 0.017 0.000 0.955 117 I N -0.873 119.650 120.570 -0.079 0.000 2.617 117 I HA 0.036 4.206 4.170 -0.000 0.000 0.256 117 I C 0.575 176.576 176.117 -0.194 0.000 1.167 117 I CA 0.742 61.949 61.300 -0.154 0.000 1.469 117 I CB -0.721 37.153 38.000 -0.210 0.000 1.098 117 I HN 0.207 nan 8.210 nan 0.000 0.436 118 H N 2.970 122.035 119.070 -0.009 0.000 2.723 118 H HA 0.725 5.281 4.556 -0.000 0.000 0.294 118 H C -0.409 174.913 175.328 -0.009 0.000 1.079 118 H CA -0.073 55.971 56.048 -0.006 0.000 1.411 118 H CB 1.106 30.866 29.762 -0.003 0.000 1.439 118 H HN 0.461 nan 8.280 nan 0.000 0.474 119 A N 3.706 126.587 122.820 0.102 0.000 2.520 119 A HA 0.295 4.615 4.320 -0.000 0.000 0.298 119 A C -0.798 176.811 177.584 0.043 0.000 1.051 119 A CA -0.998 51.072 52.037 0.054 0.000 0.690 119 A CB 1.373 20.388 19.000 0.025 0.000 1.281 119 A HN 0.494 nan 8.150 nan 0.000 0.402 120 D N 2.745 123.164 120.400 0.031 0.000 2.424 120 D HA 0.420 5.060 4.640 -0.000 0.000 0.244 120 D C -2.114 174.198 176.300 0.020 0.000 1.134 120 D CA -0.100 53.914 54.000 0.024 0.000 0.881 120 D CB 0.440 41.251 40.800 0.019 0.000 1.191 120 D HN 0.257 nan 8.370 nan 0.000 0.445 121 P HA 0.201 nan 4.420 nan 0.000 0.272 121 P C -2.473 174.838 177.300 0.019 0.000 1.223 121 P CA -1.118 61.992 63.100 0.016 0.000 0.784 121 P CB -0.304 31.409 31.700 0.022 0.000 0.923 122 P HA -0.080 nan 4.420 nan 0.000 0.259 122 P C 0.275 177.590 177.300 0.026 0.000 1.155 122 P CA 0.590 63.695 63.100 0.008 0.000 0.759 122 P CB -0.077 31.618 31.700 -0.007 0.000 0.753 123 S N 2.944 118.665 115.700 0.034 0.000 2.587 123 S HA 0.025 4.495 4.470 -0.000 0.000 0.260 123 S C 1.017 175.675 174.600 0.097 0.000 1.353 123 S CA -0.422 57.822 58.200 0.073 0.000 0.995 123 S CB -0.006 63.236 63.200 0.069 0.000 0.912 123 S HN 0.405 nan 8.310 nan 0.000 0.568 124 F N 1.358 121.307 119.950 -0.002 0.000 2.250 124 F HA -0.029 4.498 4.527 -0.000 0.000 0.301 124 F C 2.272 178.069 175.800 -0.004 0.000 1.077 124 F CA 1.418 59.416 58.000 -0.003 0.000 1.348 124 F CB -0.792 38.207 39.000 -0.002 0.000 1.040 124 F HN 0.734 nan 8.300 nan 0.000 0.509 125 A N 0.123 122.994 122.820 0.085 0.000 1.897 125 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 125 A C 1.925 179.466 177.584 -0.071 0.000 1.181 125 A CA 1.501 53.543 52.037 0.009 0.000 0.620 125 A CB -0.638 18.403 19.000 0.067 0.000 0.821 125 A HN 0.527 nan 8.150 nan 0.000 0.443 126 E N 0.463 120.632 120.200 -0.052 0.000 2.502 126 E HA 0.007 4.356 4.350 -0.000 0.000 0.194 126 E C -0.089 176.457 176.600 -0.090 0.000 1.062 126 E CA -0.152 56.213 56.400 -0.058 0.000 0.867 126 E CB 0.078 29.758 29.700 -0.033 0.000 0.888 126 E HN 0.510 nan 8.360 nan 0.000 0.510 127 Q N 1.303 121.017 119.800 -0.144 0.000 2.337 127 Q HA 0.071 4.410 4.340 -0.000 0.000 0.270 127 Q C 0.228 176.127 176.000 -0.168 0.000 1.002 127 Q CA 0.059 55.762 55.803 -0.167 0.000 0.888 127 Q CB 1.382 29.965 28.738 -0.258 0.000 1.222 127 Q HN 0.090 nan 8.270 nan 0.000 0.400 128 S N 1.146 116.774 115.700 -0.121 0.000 2.584 128 S HA 0.118 4.588 4.470 -0.000 0.000 0.270 128 S C 0.857 175.386 174.600 -0.118 0.000 1.346 128 S CA 0.355 58.493 58.200 -0.102 0.000 1.018 128 S CB 0.549 63.705 63.200 -0.073 0.000 0.899 128 S HN 0.681 nan 8.310 nan 0.000 0.542 129 T N -0.368 114.129 114.554 -0.095 0.000 3.044 129 T HA 0.381 4.731 4.350 -0.000 0.000 0.260 129 T C -0.054 174.612 174.700 -0.057 0.000 1.019 129 T CA -0.403 61.644 62.100 -0.088 0.000 0.921 129 T CB 0.007 68.826 68.868 -0.082 0.000 1.053 129 T HN 0.362 nan 8.240 nan 0.000 0.533 130 S N 1.357 117.028 115.700 -0.049 0.000 2.736 130 S HA 0.719 5.189 4.470 -0.000 0.000 0.285 130 S C -0.288 174.292 174.600 -0.033 0.000 1.163 130 S CA -0.929 57.250 58.200 -0.035 0.000 1.025 130 S CB 1.461 64.644 63.200 -0.029 0.000 1.030 130 S HN 0.654 nan 8.310 nan 0.000 0.486 131 A N 3.579 126.383 122.820 -0.027 0.000 2.450 131 A HA 0.549 4.869 4.320 -0.000 0.000 0.255 131 A C 0.373 177.944 177.584 -0.021 0.000 1.096 131 A CA -0.195 51.828 52.037 -0.024 0.000 0.778 131 A CB 0.108 19.096 19.000 -0.019 0.000 1.031 131 A HN 0.786 nan 8.150 nan 0.000 0.494 132 E N 2.732 122.919 120.200 -0.022 0.000 2.343 132 E HA 0.517 4.867 4.350 -0.000 0.000 0.270 132 E C -1.078 175.514 176.600 -0.014 0.000 0.895 132 E CA -1.018 55.371 56.400 -0.018 0.000 0.767 132 E CB 0.940 30.630 29.700 -0.017 0.000 1.248 132 E HN 0.337 nan 8.360 nan 0.000 0.440 133 I N 1.795 122.361 120.570 -0.008 0.000 2.692 133 I HA 0.019 4.188 4.170 -0.000 0.000 0.284 133 I C 0.220 176.338 176.117 0.001 0.000 1.159 133 I CA -0.396 60.907 61.300 0.005 0.000 1.423 133 I CB 0.126 38.127 38.000 0.002 0.000 1.380 133 I HN 0.526 nan 8.210 nan 0.000 0.580 134 L N 6.332 127.561 121.223 0.010 0.000 2.301 134 L HA 0.347 4.686 4.340 -0.000 0.000 0.278 134 L C 0.311 177.186 176.870 0.008 0.000 1.022 134 L CA -0.338 54.476 54.840 -0.043 0.000 0.854 134 L CB 0.531 42.547 42.059 -0.070 0.000 1.226 134 L HN 0.620 nan 8.230 nan 0.000 0.429 135 E N 2.270 122.510 120.200 0.068 0.000 2.502 135 E HA -0.092 4.258 4.350 -0.000 0.000 0.261 135 E C 0.035 176.716 176.600 0.136 0.000 0.974 135 E CA 0.605 57.077 56.400 0.120 0.000 0.936 135 E CB 0.850 30.658 29.700 0.180 0.000 0.926 135 E HN 0.765 nan 8.360 nan 0.000 0.459 136 T N 2.167 116.736 114.554 0.025 0.000 2.959 136 T HA 0.272 4.622 4.350 -0.000 0.000 0.254 136 T C 0.958 175.616 174.700 -0.070 0.000 1.003 136 T CA 0.842 62.909 62.100 -0.055 0.000 0.950 136 T CB 0.056 68.784 68.868 -0.234 0.000 1.090 136 T HN 0.821 nan 8.240 nan 0.000 0.503 137 G N 1.667 110.444 108.800 -0.039 0.000 2.579 137 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.222 137 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.222 137 G C 0.142 175.031 174.900 -0.019 0.000 1.201 137 G CA 0.083 45.158 45.100 -0.042 0.000 0.710 137 G HN 0.574 nan 8.290 nan 0.000 0.516 138 I N 2.333 122.879 120.570 -0.039 0.000 2.533 138 I HA 0.204 4.373 4.170 -0.000 0.000 0.284 138 I C 1.695 177.822 176.117 0.017 0.000 1.109 138 I CA -0.022 61.309 61.300 0.051 0.000 1.412 138 I CB 1.057 39.103 38.000 0.078 0.000 1.396 138 I HN 0.174 nan 8.210 nan 0.000 0.543 139 K N 4.226 124.641 120.400 0.025 0.000 2.002 139 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 139 K C 1.851 178.388 176.600 -0.105 0.000 1.048 139 K CA 1.641 57.899 56.287 -0.047 0.000 0.930 139 K CB -0.214 32.261 32.500 -0.042 0.000 0.714 139 K HN 0.685 nan 8.250 nan 0.000 0.438 140 V N 0.050 119.928 119.914 -0.059 0.000 2.287 140 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 140 V C 2.316 178.391 176.094 -0.031 0.000 1.053 140 V CA 1.604 63.863 62.300 -0.068 0.000 1.027 140 V CB -1.073 30.752 31.823 0.002 0.000 0.646 140 V HN 0.003 nan 8.190 nan 0.000 0.447 141 V N 0.951 120.871 119.914 0.010 0.000 2.233 141 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 141 V C 2.544 178.618 176.094 -0.034 0.000 1.050 141 V CA 2.581 64.864 62.300 -0.027 0.000 1.010 141 V CB -0.919 30.797 31.823 -0.177 0.000 0.637 141 V HN 0.496 nan 8.190 nan 0.000 0.444 142 D N -0.324 120.052 120.400 -0.041 0.000 2.144 142 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 142 D C 1.923 178.298 176.300 0.126 0.000 0.984 142 D CA 1.179 55.197 54.000 0.030 0.000 0.834 142 D CB -0.186 40.624 40.800 0.017 0.000 0.955 142 D HN 0.361 nan 8.370 nan 0.000 0.465 143 L N -0.343 120.863 121.223 -0.028 0.000 2.095 143 L HA 0.023 4.362 4.340 -0.000 0.000 0.204 143 L C 1.849 178.743 176.870 0.039 0.000 1.080 143 L CA 1.400 56.176 54.840 -0.106 0.000 0.759 143 L CB 0.041 41.854 42.059 -0.411 0.000 0.914 143 L HN -0.027 nan 8.230 nan 0.000 0.439 144 L N -1.477 119.732 121.223 -0.022 0.000 2.685 144 L HA 0.420 4.760 4.340 -0.000 0.000 0.235 144 L C 0.589 177.467 176.870 0.014 0.000 1.070 144 L CA 0.383 55.206 54.840 -0.028 0.000 0.888 144 L CB 0.148 42.159 42.059 -0.080 0.000 1.203 144 L HN 0.138 nan 8.230 nan 0.000 0.499 145 A N 1.276 124.125 122.820 0.048 0.000 3.266 145 A HA 0.500 4.820 4.320 -0.000 0.000 0.310 145 A C -2.665 175.006 177.584 0.146 0.000 1.066 145 A CA -0.993 51.102 52.037 0.096 0.000 0.839 145 A CB -0.097 18.978 19.000 0.126 0.000 1.192 145 A HN -0.171 nan 8.150 nan 0.000 0.496 146 P HA 0.104 nan 4.420 nan 0.000 0.271 146 P C -0.815 176.640 177.300 0.259 0.000 1.216 146 P CA 0.319 63.489 63.100 0.116 0.000 0.776 146 P CB 0.489 32.198 31.700 0.016 0.000 0.881 147 Y N 1.023 121.338 120.300 0.025 0.000 2.359 147 Y HA 0.289 4.839 4.550 -0.001 0.000 0.330 147 Y C 1.129 177.020 175.900 -0.016 0.000 1.143 147 Y CA -1.112 56.995 58.100 0.012 0.000 1.318 147 Y CB 0.066 38.533 38.460 0.011 0.000 1.234 147 Y HN 0.370 nan 8.280 nan 0.000 0.522 148 A N 5.423 128.288 122.820 0.076 0.000 2.279 148 A HA 0.395 4.715 4.320 -0.000 0.000 0.306 148 A C 0.430 178.004 177.584 -0.016 0.000 1.300 148 A CA -0.886 51.160 52.037 0.015 0.000 0.925 148 A CB -0.088 18.906 19.000 -0.010 0.000 1.152 148 A HN 0.835 nan 8.150 nan 0.000 0.544 149 R N 2.629 123.117 120.500 -0.019 0.000 2.504 149 R HA 0.249 4.588 4.340 -0.000 0.000 0.291 149 R C 1.105 177.371 176.300 -0.058 0.000 0.974 149 R CA 1.474 57.543 56.100 -0.052 0.000 1.077 149 R CB -0.137 30.125 30.300 -0.063 0.000 0.926 149 R HN 1.791 nan 8.270 nan 0.000 0.407 150 G N 2.446 111.204 108.800 -0.071 0.000 2.153 150 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 150 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 150 G C 0.189 175.050 174.900 -0.065 0.000 0.994 150 G CA 0.174 45.234 45.100 -0.067 0.000 0.698 150 G HN 1.002 nan 8.290 nan 0.000 0.521 151 G N -1.169 107.585 108.800 -0.077 0.000 3.016 151 G HA2 0.771 4.731 3.960 -0.000 0.000 0.270 151 G HA3 0.771 4.731 3.960 -0.000 0.000 0.270 151 G C -0.738 174.090 174.900 -0.119 0.000 1.352 151 G CA -0.783 44.271 45.100 -0.077 0.000 1.060 151 G HN 0.410 nan 8.290 nan 0.000 0.538 152 K N -0.686 119.646 120.400 -0.115 0.000 2.378 152 K HA 0.649 4.969 4.320 -0.000 0.000 0.252 152 K C -1.254 175.239 176.600 -0.178 0.000 0.931 152 K CA -0.296 55.901 56.287 -0.150 0.000 0.794 152 K CB 2.385 34.822 32.500 -0.105 0.000 1.181 152 K HN 0.261 nan 8.250 nan 0.000 0.425 153 I N 1.188 121.607 120.570 -0.252 0.000 2.465 153 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 153 I C 0.322 176.320 176.117 -0.197 0.000 1.014 153 I CA -0.494 60.644 61.300 -0.271 0.000 1.093 153 I CB 2.277 39.923 38.000 -0.590 0.000 1.267 153 I HN 0.697 nan 8.210 nan 0.000 0.431 154 G N 6.056 114.780 108.800 -0.126 0.000 2.356 154 G HA2 0.470 4.430 3.960 -0.000 0.000 0.300 154 G HA3 0.470 4.430 3.960 -0.000 0.000 0.300 154 G C -0.828 173.932 174.900 -0.232 0.000 1.107 154 G CA -0.296 44.653 45.100 -0.252 0.000 0.960 154 G HN 0.433 nan 8.290 nan 0.000 0.418 155 L N 3.555 124.582 121.223 -0.327 0.000 2.265 155 L HA 0.695 5.035 4.340 -0.000 0.000 0.288 155 L C -1.078 175.564 176.870 -0.380 0.000 1.058 155 L CA -0.865 53.873 54.840 -0.171 0.000 0.809 155 L CB 0.208 42.260 42.059 -0.011 0.000 1.179 155 L HN 0.352 nan 8.230 nan 0.000 0.429 156 F N 3.116 123.071 119.950 0.008 0.000 2.538 156 F HA 0.822 5.349 4.527 0.000 0.000 0.325 156 F C 0.787 176.592 175.800 0.008 0.000 1.066 156 F CA -0.268 57.745 58.000 0.021 0.000 0.946 156 F CB 2.070 41.086 39.000 0.027 0.000 1.199 156 F HN 0.686 nan 8.300 nan 0.000 0.473 157 G N 0.842 109.768 108.800 0.211 0.000 3.067 157 G HA2 0.337 4.296 3.960 -0.000 0.000 0.686 157 G HA3 0.337 4.296 3.960 -0.000 0.000 0.686 157 G C -0.138 174.822 174.900 0.099 0.000 1.119 157 G CA -0.679 44.497 45.100 0.126 0.000 0.790 157 G HN 1.115 nan 8.290 nan 0.000 0.605 158 G N 0.831 109.690 108.800 0.098 0.000 3.022 158 G HA2 0.856 4.816 3.960 -0.000 0.000 0.157 158 G HA3 0.856 4.816 3.960 -0.000 0.000 0.157 158 G C 1.173 176.120 174.900 0.079 0.000 1.691 158 G CA 0.898 46.054 45.100 0.094 0.000 1.079 158 G HN 2.140 nan 8.290 nan 0.000 0.549 159 A N -2.277 120.586 122.820 0.071 0.000 2.251 159 A HA 0.529 4.849 4.320 -0.000 0.000 0.278 159 A C 1.676 179.296 177.584 0.061 0.000 1.206 159 A CA 1.019 53.093 52.037 0.061 0.000 0.822 159 A CB -0.692 18.337 19.000 0.048 0.000 1.187 159 A HN 2.395 nan 8.150 nan 0.000 0.504 160 G N -2.792 106.043 108.800 0.058 0.000 2.168 160 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.257 160 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.257 160 G C 0.505 175.462 174.900 0.094 0.000 0.997 160 G CA 1.224 46.364 45.100 0.067 0.000 0.708 160 G HN 2.215 nan 8.290 nan 0.000 0.520 161 V N -4.198 115.780 119.914 0.106 0.000 3.329 161 V HA 0.685 4.805 4.120 -0.000 0.000 0.317 161 V C 1.464 177.676 176.094 0.197 0.000 1.495 161 V CA 0.690 63.068 62.300 0.130 0.000 1.105 161 V CB 0.087 31.948 31.823 0.064 0.000 0.985 161 V HN 2.097 nan 8.190 nan 0.000 0.475 162 G N 1.916 110.821 108.800 0.174 0.000 2.314 162 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.292 162 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.292 162 G C 0.743 175.763 174.900 0.199 0.000 1.059 162 G CA 1.020 46.220 45.100 0.167 0.000 0.982 162 G HN 0.692 nan 8.290 nan 0.000 0.505 163 K N -0.530 119.960 120.400 0.149 0.000 2.097 163 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 163 K C 2.779 179.477 176.600 0.164 0.000 1.050 163 K CA 1.889 58.274 56.287 0.163 0.000 0.938 163 K CB -0.263 32.300 32.500 0.107 0.000 0.718 163 K HN 0.539 nan 8.250 nan 0.000 0.442 164 T N -0.664 113.941 114.554 0.085 0.000 2.788 164 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 164 T C 1.969 176.686 174.700 0.029 0.000 1.044 164 T CA 1.226 63.333 62.100 0.011 0.000 1.139 164 T CB -0.443 68.408 68.868 -0.028 0.000 0.867 164 T HN -0.037 nan 8.240 nan 0.000 0.454 165 V N 0.741 120.716 119.914 0.102 0.000 2.323 165 V HA -0.022 4.098 4.120 -0.000 0.000 0.244 165 V C 2.079 178.312 176.094 0.232 0.000 1.041 165 V CA 1.426 63.825 62.300 0.164 0.000 1.025 165 V CB -0.823 31.124 31.823 0.206 0.000 0.656 165 V HN 0.419 nan 8.190 nan 0.000 0.451 166 F N 0.639 120.709 119.950 0.200 0.000 2.063 166 F HA -0.283 4.244 4.527 -0.000 0.000 0.298 166 F C 2.124 177.970 175.800 0.076 0.000 1.109 166 F CA 2.131 60.266 58.000 0.226 0.000 1.212 166 F CB -0.264 38.880 39.000 0.241 0.000 0.973 166 F HN 0.066 nan 8.300 nan 0.000 0.480 167 I N -0.065 120.630 120.570 0.208 0.000 2.248 167 I HA -0.365 3.804 4.170 -0.000 0.000 0.248 167 I C 2.360 178.358 176.117 -0.199 0.000 1.107 167 I CA 1.712 62.957 61.300 -0.092 0.000 1.373 167 I CB -0.492 37.284 38.000 -0.375 0.000 1.055 167 I HN 0.301 nan 8.210 nan 0.000 0.418 168 Q N -0.270 119.439 119.800 -0.152 0.000 2.187 168 Q HA -0.222 4.118 4.340 -0.000 0.000 0.199 168 Q C 2.034 177.934 176.000 -0.166 0.000 0.957 168 Q CA 1.073 56.795 55.803 -0.136 0.000 0.857 168 Q CB 0.072 28.766 28.738 -0.073 0.000 0.929 168 Q HN 0.315 nan 8.270 nan 0.000 0.453 169 E N 0.503 120.518 120.200 -0.308 0.000 2.208 169 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 169 E C 1.576 177.926 176.600 -0.417 0.000 0.988 169 E CA 0.663 56.745 56.400 -0.529 0.000 0.828 169 E CB -0.002 28.910 29.700 -1.314 0.000 0.763 169 E HN 0.280 nan 8.360 nan 0.000 0.478 170 L N -0.065 120.963 121.223 -0.325 0.000 2.027 170 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 170 L C 2.309 179.205 176.870 0.045 0.000 1.074 170 L CA 1.044 55.814 54.840 -0.116 0.000 0.745 170 L CB -0.333 41.776 42.059 0.084 0.000 0.898 170 L HN 0.229 nan 8.230 nan 0.000 0.433 171 I N 0.063 120.704 120.570 0.119 0.000 2.264 171 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 171 I C 2.208 178.355 176.117 0.050 0.000 1.111 171 I CA 1.576 62.964 61.300 0.146 0.000 1.382 171 I CB -0.352 37.721 38.000 0.121 0.000 1.060 171 I HN 0.370 nan 8.210 nan 0.000 0.418 172 N N 0.779 119.464 118.700 -0.025 0.000 2.109 172 N HA -0.150 4.589 4.740 -0.000 0.000 0.188 172 N C 1.631 177.112 175.510 -0.047 0.000 1.034 172 N CA 1.418 54.442 53.050 -0.044 0.000 0.846 172 N CB 0.003 38.435 38.487 -0.090 0.000 1.010 172 N HN 0.134 nan 8.380 nan 0.000 0.425 173 N N 0.736 119.387 118.700 -0.082 0.000 2.013 173 N HA -0.092 4.648 4.740 -0.000 0.000 0.195 173 N C 1.511 177.025 175.510 0.007 0.000 1.051 173 N CA 1.127 54.137 53.050 -0.066 0.000 0.851 173 N CB -0.515 37.909 38.487 -0.105 0.000 1.044 173 N HN 0.268 nan 8.380 nan 0.000 0.422 174 I N 0.837 121.447 120.570 0.067 0.000 2.623 174 I HA -0.187 3.983 4.170 -0.000 0.000 0.261 174 I C 1.914 178.076 176.117 0.074 0.000 1.204 174 I CA 0.770 62.167 61.300 0.161 0.000 1.444 174 I CB -1.603 36.438 38.000 0.069 0.000 1.094 174 I HN 0.067 nan 8.210 nan 0.000 0.451 175 A N 0.110 122.942 122.820 0.020 0.000 1.935 175 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 175 A C 2.343 179.900 177.584 -0.046 0.000 1.178 175 A CA 0.793 52.819 52.037 -0.018 0.000 0.640 175 A CB -0.081 18.943 19.000 0.040 0.000 0.825 175 A HN 0.135 nan 8.150 nan 0.000 0.447 176 K N -0.454 119.919 120.400 -0.045 0.000 2.166 176 K HA 0.230 4.550 4.320 -0.000 0.000 0.201 176 K C 1.968 178.494 176.600 -0.124 0.000 1.052 176 K CA 1.126 57.371 56.287 -0.071 0.000 0.969 176 K CB -0.257 32.206 32.500 -0.061 0.000 0.761 176 K HN 0.376 nan 8.250 nan 0.000 0.459 177 A N 0.391 123.102 122.820 -0.182 0.000 2.132 177 A HA -0.023 4.297 4.320 -0.000 0.000 0.213 177 A C 0.854 178.038 177.584 -0.667 0.000 1.154 177 A CA 0.675 52.467 52.037 -0.409 0.000 0.753 177 A CB -0.133 18.576 19.000 -0.484 0.000 0.826 177 A HN 0.302 nan 8.150 nan 0.000 0.469 178 H N -1.899 117.125 119.070 -0.076 0.000 3.297 178 H HA 0.228 4.783 4.556 -0.000 0.000 0.254 178 H C 1.148 176.397 175.328 -0.131 0.000 1.192 178 H CA 0.030 56.026 56.048 -0.087 0.000 1.058 178 H CB -0.137 29.579 29.762 -0.076 0.000 1.777 178 H HN 0.510 nan 8.280 nan 0.000 0.696 179 G N 1.907 110.662 108.800 -0.076 0.000 2.422 179 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.301 179 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.301 179 G C 0.534 175.235 174.900 -0.331 0.000 0.981 179 G CA 0.576 45.565 45.100 -0.185 0.000 0.994 179 G HN 0.655 nan 8.290 nan 0.000 0.514 180 G N -1.122 107.513 108.800 -0.275 0.000 2.452 180 G HA2 0.701 4.661 3.960 -0.000 0.000 0.324 180 G HA3 0.701 4.661 3.960 -0.000 0.000 0.324 180 G C -0.391 174.309 174.900 -0.332 0.000 1.214 180 G CA -1.074 43.810 45.100 -0.359 0.000 0.947 180 G HN 0.147 nan 8.290 nan 0.000 0.478 181 F N 0.503 120.315 119.950 -0.229 0.000 2.370 181 F HA 0.607 5.134 4.527 -0.000 0.000 0.319 181 F C 1.010 176.722 175.800 -0.147 0.000 1.129 181 F CA -0.660 57.182 58.000 -0.263 0.000 1.109 181 F CB 1.654 40.305 39.000 -0.582 0.000 1.262 181 F HN 0.276 nan 8.300 nan 0.000 0.534 182 S N 0.074 115.879 115.700 0.175 0.000 2.621 182 S HA 0.803 5.273 4.470 -0.000 0.000 0.302 182 S C -1.014 173.716 174.600 0.217 0.000 1.093 182 S CA -0.795 57.518 58.200 0.188 0.000 1.017 182 S CB 2.188 65.558 63.200 0.284 0.000 1.077 182 S HN 0.289 nan 8.310 nan 0.000 0.517 183 V N 2.230 122.290 119.914 0.242 0.000 2.638 183 V HA 0.521 4.641 4.120 -0.000 0.000 0.306 183 V C -1.380 174.902 176.094 0.313 0.000 1.052 183 V CA -0.649 61.791 62.300 0.234 0.000 0.885 183 V CB 1.470 33.395 31.823 0.171 0.000 0.999 183 V HN 0.845 nan 8.190 nan 0.000 0.424 184 F N 3.207 123.213 119.950 0.095 0.000 2.467 184 F HA 0.720 5.247 4.527 -0.000 0.000 0.336 184 F C 0.087 175.777 175.800 -0.184 0.000 1.123 184 F CA 0.069 58.099 58.000 0.050 0.000 0.964 184 F CB 1.892 40.882 39.000 -0.016 0.000 1.136 184 F HN 0.454 nan 8.300 nan 0.000 0.447 185 T N 4.688 118.762 114.554 -0.801 0.000 2.809 185 T HA 0.528 4.877 4.350 -0.000 0.000 0.284 185 T C -0.086 174.144 174.700 -0.784 0.000 0.992 185 T CA -0.665 61.027 62.100 -0.680 0.000 0.957 185 T CB 1.348 70.002 68.868 -0.356 0.000 0.942 185 T HN 0.852 nan 8.240 nan 0.000 0.439 186 G N 1.638 110.094 108.800 -0.574 0.000 2.325 186 G HA2 0.559 4.519 3.960 -0.000 0.000 0.298 186 G HA3 0.559 4.519 3.960 -0.000 0.000 0.298 186 G C -0.788 174.162 174.900 0.083 0.000 1.134 186 G CA -0.421 44.693 45.100 0.023 0.000 0.876 186 G HN 0.656 nan 8.290 nan 0.000 0.452 187 V N 2.389 122.333 119.914 0.050 0.000 2.409 187 V HA 0.635 4.755 4.120 -0.000 0.000 0.290 187 V C 1.064 177.197 176.094 0.065 0.000 1.017 187 V CA 0.303 62.634 62.300 0.053 0.000 0.841 187 V CB 0.729 32.572 31.823 0.033 0.000 1.003 187 V HN 1.532 nan 8.190 nan 0.000 0.426 188 G N 3.856 112.691 108.800 0.059 0.000 2.189 188 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.267 188 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.267 188 G C 0.277 175.209 174.900 0.054 0.000 0.975 188 G CA 0.541 45.665 45.100 0.040 0.000 0.644 188 G HN 0.885 nan 8.290 nan 0.000 0.537 189 E N 1.053 121.309 120.200 0.093 0.000 2.900 189 E HA 0.111 4.461 4.350 -0.000 0.000 0.259 189 E C 1.105 177.725 176.600 0.033 0.000 0.918 189 E CA 0.235 56.698 56.400 0.104 0.000 0.960 189 E CB 0.160 29.986 29.700 0.209 0.000 0.908 189 E HN 0.504 nan 8.360 nan 0.000 0.511 190 R N 3.540 124.052 120.500 0.021 0.000 2.504 190 R HA -0.045 4.295 4.340 -0.000 0.000 0.291 190 R C 1.015 177.280 176.300 -0.058 0.000 0.974 190 R CA 0.691 56.785 56.100 -0.011 0.000 1.077 190 R CB 0.279 30.578 30.300 -0.002 0.000 0.926 190 R HN 0.648 nan 8.270 nan 0.000 0.407 191 T N 2.467 116.975 114.554 -0.077 0.000 2.867 191 T HA -0.133 4.216 4.350 -0.000 0.000 0.268 191 T C 1.763 176.390 174.700 -0.122 0.000 1.057 191 T CA 0.898 62.916 62.100 -0.136 0.000 1.136 191 T CB -0.088 68.717 68.868 -0.105 0.000 0.874 191 T HN 0.528 nan 8.240 nan 0.000 0.466 192 R N 1.149 121.609 120.500 -0.068 0.000 2.103 192 R HA -0.143 4.196 4.340 -0.000 0.000 0.242 192 R C 2.156 178.429 176.300 -0.045 0.000 1.142 192 R CA 1.702 57.774 56.100 -0.045 0.000 0.960 192 R CB -0.083 30.202 30.300 -0.024 0.000 0.858 192 R HN 0.510 nan 8.270 nan 0.000 0.439 193 E N -1.402 118.773 120.200 -0.041 0.000 2.216 193 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 193 E C 1.845 178.428 176.600 -0.029 0.000 0.988 193 E CA 0.697 57.088 56.400 -0.014 0.000 0.834 193 E CB -0.013 29.700 29.700 0.022 0.000 0.772 193 E HN 0.540 nan 8.360 nan 0.000 0.479 194 G N 2.059 110.770 108.800 -0.148 0.000 2.453 194 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.215 194 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.215 194 G C 1.394 176.202 174.900 -0.154 0.000 1.201 194 G CA 0.808 45.698 45.100 -0.350 0.000 0.784 194 G HN 0.221 nan 8.290 nan 0.000 0.545 195 N N 0.793 119.410 118.700 -0.138 0.000 2.091 195 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 195 N C 1.708 177.257 175.510 0.065 0.000 1.021 195 N CA 1.803 54.858 53.050 0.009 0.000 0.862 195 N CB -0.267 38.214 38.487 -0.011 0.000 1.018 195 N HN 0.141 nan 8.380 nan 0.000 0.429 196 D N 0.929 121.340 120.400 0.020 0.000 2.127 196 D HA -0.190 4.450 4.640 -0.000 0.000 0.190 196 D C 2.035 178.355 176.300 0.033 0.000 1.000 196 D CA 0.829 54.840 54.000 0.019 0.000 0.839 196 D CB -0.577 40.224 40.800 0.003 0.000 0.955 196 D HN 0.277 nan 8.370 nan 0.000 0.446 197 L N -0.305 120.946 121.223 0.046 0.000 2.042 197 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 197 L C 2.313 179.240 176.870 0.093 0.000 1.076 197 L CA 1.521 56.384 54.840 0.037 0.000 0.749 197 L CB -0.658 41.424 42.059 0.038 0.000 0.893 197 L HN 0.076 nan 8.230 nan 0.000 0.432 198 Y N 0.494 120.814 120.300 0.033 0.000 2.165 198 Y HA -0.298 4.252 4.550 -0.000 0.000 0.286 198 Y C 2.844 178.761 175.900 0.029 0.000 1.155 198 Y CA 2.219 60.351 58.100 0.053 0.000 1.164 198 Y CB -0.371 38.132 38.460 0.071 0.000 0.978 198 Y HN 0.225 nan 8.280 nan 0.000 0.513 199 R N 0.239 120.703 120.500 -0.061 0.000 2.066 199 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 199 R C 2.369 178.631 176.300 -0.063 0.000 1.131 199 R CA 1.642 57.663 56.100 -0.131 0.000 0.955 199 R CB -0.430 29.849 30.300 -0.034 0.000 0.851 199 R HN 0.437 nan 8.270 nan 0.000 0.432 200 E N -0.049 120.152 120.200 0.002 0.000 2.333 200 E HA -0.185 4.164 4.350 -0.000 0.000 0.198 200 E C 1.714 178.344 176.600 0.049 0.000 1.007 200 E CA 0.963 57.402 56.400 0.066 0.000 0.845 200 E CB 0.104 29.818 29.700 0.023 0.000 0.766 200 E HN 0.429 nan 8.360 nan 0.000 0.507 201 M N -0.332 119.254 119.600 -0.023 0.000 2.388 201 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 201 M C 1.973 178.234 176.300 -0.064 0.000 1.088 201 M CA 0.860 56.138 55.300 -0.037 0.000 1.134 201 M CB 0.221 32.805 32.600 -0.026 0.000 1.384 201 M HN -0.078 nan 8.290 nan 0.000 0.447 202 K N 0.209 120.534 120.400 -0.126 0.000 2.116 202 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 202 K C 1.636 178.180 176.600 -0.094 0.000 1.052 202 K CA 1.037 57.239 56.287 -0.141 0.000 0.952 202 K CB -0.001 32.356 32.500 -0.239 0.000 0.729 202 K HN 0.399 nan 8.250 nan 0.000 0.446 203 E N 0.148 120.309 120.200 -0.065 0.000 2.152 203 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 203 E C 1.838 178.359 176.600 -0.131 0.000 0.983 203 E CA 1.021 57.369 56.400 -0.087 0.000 0.818 203 E CB 0.034 29.718 29.700 -0.026 0.000 0.758 203 E HN 0.102 nan 8.360 nan 0.000 0.467 204 T N -1.512 113.014 114.554 -0.047 0.000 3.023 204 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 204 T C 1.342 176.009 174.700 -0.055 0.000 1.093 204 T CA 1.160 63.236 62.100 -0.041 0.000 1.129 204 T CB -0.053 68.854 68.868 0.065 0.000 0.899 204 T HN 0.467 nan 8.240 nan 0.000 0.491 205 G N -0.029 108.738 108.800 -0.055 0.000 2.234 205 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.235 205 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.235 205 G C 1.274 176.155 174.900 -0.032 0.000 0.997 205 G CA 0.664 45.735 45.100 -0.048 0.000 0.623 205 G HN 0.956 nan 8.290 nan 0.000 0.514 206 V N -1.084 118.814 119.914 -0.026 0.000 2.688 206 V HA 0.292 4.411 4.120 -0.000 0.000 0.256 206 V C 1.341 177.431 176.094 -0.007 0.000 1.084 206 V CA 1.703 63.995 62.300 -0.013 0.000 1.103 206 V CB -0.357 31.456 31.823 -0.017 0.000 0.688 206 V HN 0.499 nan 8.190 nan 0.000 0.480 207 I N 1.870 122.432 120.570 -0.014 0.000 2.389 207 I HA 0.451 4.621 4.170 -0.000 0.000 0.288 207 I C -0.282 175.819 176.117 -0.025 0.000 0.999 207 I CA -0.132 61.166 61.300 -0.003 0.000 1.129 207 I CB 1.458 39.473 38.000 0.024 0.000 1.288 207 I HN 0.085 nan 8.210 nan 0.000 0.444 208 N N 7.410 126.099 118.700 -0.018 0.000 2.804 208 N HA 0.278 5.018 4.740 -0.000 0.000 0.251 208 N C 0.799 176.301 175.510 -0.013 0.000 1.250 208 N CA -0.281 52.755 53.050 -0.023 0.000 0.820 208 N CB 1.005 39.479 38.487 -0.023 0.000 1.156 208 N HN 0.580 nan 8.380 nan 0.000 0.512 209 L N 0.672 121.891 121.223 -0.007 0.000 2.171 209 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 209 L C 1.818 178.689 176.870 0.002 0.000 1.084 209 L CA 1.420 56.265 54.840 0.008 0.000 0.771 209 L CB -0.081 41.986 42.059 0.013 0.000 0.890 209 L HN 0.390 nan 8.230 nan 0.000 0.437 210 E N -0.055 120.141 120.200 -0.006 0.000 2.021 210 E HA 0.010 4.360 4.350 -0.000 0.000 0.189 210 E C 1.482 178.079 176.600 -0.005 0.000 0.980 210 E CA 1.077 57.474 56.400 -0.006 0.000 0.803 210 E CB -0.404 29.290 29.700 -0.010 0.000 0.766 210 E HN 0.397 nan 8.360 nan 0.000 0.449 211 G N -0.812 107.983 108.800 -0.008 0.000 2.829 211 G HA2 0.421 4.381 3.960 -0.000 0.000 0.173 211 G HA3 0.421 4.381 3.960 -0.000 0.000 0.173 211 G C -0.509 174.386 174.900 -0.008 0.000 1.476 211 G CA 0.158 45.255 45.100 -0.006 0.000 1.072 211 G HN 0.310 nan 8.290 nan 0.000 0.577 212 E N -0.220 119.977 120.200 -0.005 0.000 2.167 212 E HA 0.565 4.914 4.350 -0.000 0.000 0.284 212 E C -0.115 176.468 176.600 -0.028 0.000 1.016 212 E CA -0.615 55.775 56.400 -0.016 0.000 0.817 212 E CB 0.716 30.425 29.700 0.016 0.000 1.080 212 E HN 0.474 nan 8.360 nan 0.000 0.397 213 S N 1.823 117.483 115.700 -0.067 0.000 2.585 213 S HA 0.311 4.781 4.470 -0.000 0.000 0.277 213 S C 0.661 175.193 174.600 -0.112 0.000 1.241 213 S CA -0.711 57.451 58.200 -0.063 0.000 1.041 213 S CB 1.391 64.564 63.200 -0.046 0.000 0.987 213 S HN 0.589 nan 8.310 nan 0.000 0.512 214 K N 0.501 120.884 120.400 -0.029 0.000 2.379 214 K HA 0.253 4.573 4.320 -0.000 0.000 0.194 214 K C 0.043 176.659 176.600 0.027 0.000 1.031 214 K CA 0.261 56.574 56.287 0.043 0.000 1.037 214 K CB 0.413 32.975 32.500 0.104 0.000 0.824 214 K HN 0.319 nan 8.250 nan 0.000 0.516 215 V N 0.381 120.297 119.914 0.003 0.000 2.876 215 V HA 0.657 4.777 4.120 -0.000 0.000 0.312 215 V C -1.815 174.311 176.094 0.054 0.000 1.085 215 V CA -0.923 61.413 62.300 0.061 0.000 0.945 215 V CB 1.968 33.849 31.823 0.096 0.000 1.017 215 V HN 0.083 nan 8.190 nan 0.000 0.428 216 A N 6.407 129.286 122.820 0.097 0.000 2.304 216 A HA 0.823 5.142 4.320 -0.000 0.000 0.314 216 A C -1.086 176.549 177.584 0.085 0.000 1.187 216 A CA -0.524 51.567 52.037 0.089 0.000 0.810 216 A CB 0.802 19.871 19.000 0.115 0.000 1.183 216 A HN 0.806 nan 8.150 nan 0.000 0.487 217 L N 2.885 124.141 121.223 0.055 0.000 2.275 217 L HA 0.576 4.916 4.340 -0.000 0.000 0.288 217 L C -0.636 176.166 176.870 -0.114 0.000 1.046 217 L CA -0.633 54.198 54.840 -0.015 0.000 0.805 217 L CB 1.535 43.634 42.059 0.067 0.000 1.193 217 L HN 0.409 nan 8.230 nan 0.000 0.426 218 V N 3.907 123.651 119.914 -0.283 0.000 2.531 218 V HA 0.487 4.607 4.120 -0.000 0.000 0.301 218 V C -0.954 174.889 176.094 -0.418 0.000 1.034 218 V CA -0.433 61.727 62.300 -0.234 0.000 0.865 218 V CB 2.000 33.735 31.823 -0.147 0.000 0.995 218 V HN 0.374 nan 8.190 nan 0.000 0.424 219 F N 2.339 122.285 119.950 -0.006 0.000 2.536 219 F HA 0.696 5.222 4.527 -0.000 0.000 0.322 219 F C 0.649 176.440 175.800 -0.016 0.000 1.144 219 F CA -0.738 57.258 58.000 -0.007 0.000 0.924 219 F CB 2.354 41.361 39.000 0.011 0.000 1.181 219 F HN 0.512 nan 8.300 nan 0.000 0.438 220 G N 3.495 112.405 108.800 0.184 0.000 3.565 220 G HA2 0.474 4.434 3.960 -0.000 0.000 0.346 220 G HA3 0.474 4.434 3.960 -0.000 0.000 0.346 220 G C -0.570 174.394 174.900 0.106 0.000 1.363 220 G CA -0.486 44.676 45.100 0.104 0.000 1.134 220 G HN 0.509 nan 8.290 nan 0.000 0.471 221 Q N 0.747 120.606 119.800 0.098 0.000 2.584 221 Q HA 0.197 4.537 4.340 -0.000 0.000 0.235 221 Q C 1.795 177.814 176.000 0.031 0.000 1.079 221 Q CA -0.278 55.560 55.803 0.058 0.000 0.977 221 Q CB 1.019 29.755 28.738 -0.002 0.000 1.293 221 Q HN 0.484 nan 8.270 nan 0.000 0.553 222 M N 1.546 121.156 119.600 0.017 0.000 2.530 222 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 222 M C 0.488 176.787 176.300 -0.001 0.000 1.067 222 M CA 1.296 56.599 55.300 0.006 0.000 1.071 222 M CB -0.038 32.563 32.600 0.001 0.000 1.405 222 M HN 0.714 nan 8.290 nan 0.000 0.478 223 N N -0.829 117.869 118.700 -0.002 0.000 2.325 223 N HA 0.017 4.757 4.740 -0.000 0.000 0.182 223 N C -0.039 175.470 175.510 -0.002 0.000 1.088 223 N CA 0.129 53.176 53.050 -0.005 0.000 0.879 223 N CB -0.071 38.410 38.487 -0.011 0.000 0.983 223 N HN 0.326 nan 8.380 nan 0.000 0.471 224 E N 0.868 121.070 120.200 0.004 0.000 2.349 224 E HA 0.352 4.702 4.350 -0.000 0.000 0.262 224 E C -2.315 174.285 176.600 -0.000 0.000 1.088 224 E CA -2.064 54.339 56.400 0.005 0.000 0.899 224 E CB 0.853 30.561 29.700 0.014 0.000 1.044 224 E HN 0.146 nan 8.360 nan 0.000 0.420 225 P HA 0.009 nan 4.420 nan 0.000 0.272 225 P C -2.179 175.115 177.300 -0.010 0.000 1.240 225 P CA -0.904 62.192 63.100 -0.005 0.000 0.791 225 P CB 0.108 31.807 31.700 -0.002 0.000 0.978 226 P HA -0.245 nan 4.420 nan 0.000 0.217 226 P C 1.533 178.819 177.300 -0.025 0.000 1.158 226 P CA 2.357 65.439 63.100 -0.030 0.000 0.887 226 P CB -0.549 31.132 31.700 -0.033 0.000 0.792 227 G N -0.326 108.468 108.800 -0.010 0.000 2.421 227 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 227 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 227 G C 1.680 176.586 174.900 0.009 0.000 1.171 227 G CA 1.121 46.222 45.100 0.002 0.000 0.775 227 G HN 0.363 nan 8.290 nan 0.000 0.543 228 A N 0.601 123.426 122.820 0.008 0.000 1.877 228 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 228 A C 2.420 180.014 177.584 0.016 0.000 1.186 228 A CA 1.757 53.801 52.037 0.012 0.000 0.620 228 A CB -0.416 18.591 19.000 0.012 0.000 0.822 228 A HN 0.328 nan 8.150 nan 0.000 0.443 229 R N -0.639 119.867 120.500 0.010 0.000 2.120 229 R HA -0.044 4.295 4.340 -0.000 0.000 0.234 229 R C 2.334 178.651 176.300 0.028 0.000 1.123 229 R CA 1.112 57.221 56.100 0.015 0.000 0.975 229 R CB -0.363 29.932 30.300 -0.008 0.000 0.866 229 R HN 0.527 nan 8.270 nan 0.000 0.446 230 A N 0.570 123.392 122.820 0.003 0.000 1.969 230 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 230 A C 1.800 179.451 177.584 0.112 0.000 1.169 230 A CA 1.101 53.133 52.037 -0.009 0.000 0.635 230 A CB -0.076 18.895 19.000 -0.049 0.000 0.810 230 A HN 0.114 nan 8.150 nan 0.000 0.445 231 R N -0.544 120.002 120.500 0.077 0.000 2.254 231 R HA 0.058 4.398 4.340 -0.000 0.000 0.193 231 R C 1.968 178.277 176.300 0.015 0.000 0.929 231 R CA 1.144 57.275 56.100 0.052 0.000 1.038 231 R CB -0.765 29.531 30.300 -0.007 0.000 1.009 231 R HN 0.496 nan 8.270 nan 0.000 0.512 232 V N 0.653 120.579 119.914 0.021 0.000 2.278 232 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 232 V C 2.570 178.626 176.094 -0.064 0.000 1.062 232 V CA 2.050 64.338 62.300 -0.020 0.000 1.038 232 V CB -1.438 30.380 31.823 -0.008 0.000 0.646 232 V HN 0.202 nan 8.190 nan 0.000 0.447 233 A N 0.895 123.677 122.820 -0.062 0.000 1.948 233 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 233 A C 2.252 179.728 177.584 -0.181 0.000 1.177 233 A CA 2.462 54.397 52.037 -0.171 0.000 0.636 233 A CB -0.691 18.120 19.000 -0.315 0.000 0.815 233 A HN 0.618 nan 8.150 nan 0.000 0.449 234 L N -1.299 119.840 121.223 -0.140 0.000 2.027 234 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 234 L C 2.765 179.558 176.870 -0.130 0.000 1.074 234 L CA 1.683 56.436 54.840 -0.145 0.000 0.745 234 L CB -1.386 40.571 42.059 -0.170 0.000 0.898 234 L HN 0.295 nan 8.230 nan 0.000 0.433 235 T N 0.238 114.722 114.554 -0.117 0.000 2.624 235 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 235 T C 1.842 176.488 174.700 -0.091 0.000 1.041 235 T CA 1.779 63.820 62.100 -0.098 0.000 1.159 235 T CB -0.725 68.095 68.868 -0.080 0.000 0.863 235 T HN 0.603 nan 8.240 nan 0.000 0.434 236 G N 0.989 109.729 108.800 -0.100 0.000 2.402 236 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 236 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 236 G C 1.541 176.398 174.900 -0.073 0.000 1.162 236 G CA 0.773 45.818 45.100 -0.092 0.000 0.777 236 G HN 0.457 nan 8.290 nan 0.000 0.539 237 L N 1.077 122.240 121.223 -0.100 0.000 2.079 237 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 237 L C 2.759 179.596 176.870 -0.055 0.000 1.081 237 L CA 2.630 57.416 54.840 -0.090 0.000 0.752 237 L CB -0.927 41.056 42.059 -0.127 0.000 0.896 237 L HN 0.156 nan 8.230 nan 0.000 0.433 238 T N 0.103 114.618 114.554 -0.064 0.000 2.746 238 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 238 T C 1.964 176.638 174.700 -0.042 0.000 1.039 238 T CA 1.965 64.034 62.100 -0.052 0.000 1.142 238 T CB -0.342 68.484 68.868 -0.070 0.000 0.866 238 T HN 0.350 nan 8.240 nan 0.000 0.444 239 I N 1.421 121.961 120.570 -0.050 0.000 2.127 239 I HA -0.201 3.969 4.170 -0.000 0.000 0.241 239 I C 2.951 179.068 176.117 0.002 0.000 1.075 239 I CA 1.307 62.567 61.300 -0.067 0.000 1.334 239 I CB -0.521 37.472 38.000 -0.012 0.000 1.040 239 I HN 0.196 nan 8.210 nan 0.000 0.405 240 A N 0.161 123.051 122.820 0.117 0.000 1.972 240 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 240 A C 2.190 179.870 177.584 0.161 0.000 1.169 240 A CA 1.444 53.625 52.037 0.241 0.000 0.635 240 A CB -0.534 18.552 19.000 0.144 0.000 0.810 240 A HN 0.450 nan 8.150 nan 0.000 0.446 241 E N -1.512 118.724 120.200 0.060 0.000 2.077 241 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 241 E C 1.824 178.440 176.600 0.028 0.000 0.989 241 E CA 1.493 57.911 56.400 0.031 0.000 0.800 241 E CB -0.334 29.369 29.700 0.005 0.000 0.746 241 E HN 0.801 nan 8.360 nan 0.000 0.452 242 Y N 0.508 120.722 120.300 -0.144 0.000 2.165 242 Y HA -0.265 4.284 4.550 -0.000 0.000 0.286 242 Y C 1.785 177.589 175.900 -0.160 0.000 1.155 242 Y CA 1.542 59.511 58.100 -0.218 0.000 1.164 242 Y CB -0.269 37.953 38.460 -0.397 0.000 0.978 242 Y HN -0.036 nan 8.280 nan 0.000 0.513 243 F N 0.069 120.075 119.950 0.092 0.000 2.451 243 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 243 F C 2.596 178.358 175.800 -0.064 0.000 1.101 243 F CA 1.493 59.511 58.000 0.030 0.000 1.436 243 F CB -0.577 38.514 39.000 0.152 0.000 1.074 243 F HN 0.053 nan 8.300 nan 0.000 0.553 244 R N 0.305 120.850 120.500 0.076 0.000 2.090 244 R HA -0.061 4.279 4.340 -0.000 0.000 0.219 244 R C 1.475 177.738 176.300 -0.062 0.000 1.100 244 R CA 1.411 57.514 56.100 0.005 0.000 0.991 244 R CB -0.141 30.160 30.300 0.002 0.000 0.893 244 R HN 0.066 nan 8.270 nan 0.000 0.443 245 D N -0.001 120.332 120.400 -0.111 0.000 2.194 245 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 245 D C 1.455 177.636 176.300 -0.199 0.000 0.964 245 D CA 1.064 54.985 54.000 -0.132 0.000 0.846 245 D CB 0.173 40.906 40.800 -0.112 0.000 0.962 245 D HN 0.257 nan 8.370 nan 0.000 0.490 246 E N 0.237 120.219 120.200 -0.363 0.000 2.256 246 E HA 0.059 4.409 4.350 -0.000 0.000 0.198 246 E C 1.412 177.868 176.600 -0.240 0.000 0.908 246 E CA 0.416 56.564 56.400 -0.420 0.000 0.915 246 E CB 0.339 29.476 29.700 -0.938 0.000 0.890 246 E HN 0.034 nan 8.360 nan 0.000 0.484 247 E N -0.260 119.838 120.200 -0.170 0.000 2.474 247 E HA 0.121 4.471 4.350 -0.000 0.000 0.194 247 E C 0.304 176.897 176.600 -0.011 0.000 1.041 247 E CA 0.441 56.844 56.400 0.004 0.000 0.874 247 E CB 0.421 30.244 29.700 0.206 0.000 0.914 247 E HN 0.366 nan 8.360 nan 0.000 0.498 248 G N 2.811 111.589 108.800 -0.038 0.000 2.323 248 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.292 248 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.292 248 G C 0.069 174.949 174.900 -0.033 0.000 1.040 248 G CA 0.588 45.666 45.100 -0.037 0.000 0.942 248 G HN 0.245 nan 8.290 nan 0.000 0.506 249 Q N -0.611 119.178 119.800 -0.019 0.000 2.185 249 Q HA 0.422 4.762 4.340 -0.000 0.000 0.225 249 Q C -0.552 175.420 176.000 -0.046 0.000 0.983 249 Q CA -0.764 55.008 55.803 -0.051 0.000 0.950 249 Q CB 0.935 29.623 28.738 -0.083 0.000 1.176 249 Q HN 0.274 nan 8.270 nan 0.000 0.510 250 D N 1.219 121.575 120.400 -0.073 0.000 2.412 250 D HA 0.274 4.913 4.640 -0.000 0.000 0.224 250 D C -1.025 175.225 176.300 -0.083 0.000 1.093 250 D CA -0.027 53.920 54.000 -0.088 0.000 0.850 250 D CB 1.345 42.059 40.800 -0.143 0.000 1.046 250 D HN 0.075 nan 8.370 nan 0.000 0.507 251 V N 3.038 122.923 119.914 -0.048 0.000 2.630 251 V HA 0.373 4.493 4.120 -0.000 0.000 0.305 251 V C 0.345 176.407 176.094 -0.053 0.000 1.046 251 V CA -0.827 61.463 62.300 -0.016 0.000 0.934 251 V CB 2.348 34.221 31.823 0.083 0.000 1.003 251 V HN 0.369 nan 8.190 nan 0.000 0.451 252 L N 4.522 125.712 121.223 -0.054 0.000 2.272 252 L HA 0.529 4.868 4.340 -0.000 0.000 0.289 252 L C -0.865 175.901 176.870 -0.173 0.000 1.032 252 L CA -0.533 54.206 54.840 -0.169 0.000 0.810 252 L CB 1.506 43.461 42.059 -0.173 0.000 1.205 252 L HN 0.486 nan 8.230 nan 0.000 0.422 253 L N 4.746 125.807 121.223 -0.269 0.000 2.316 253 L HA 0.515 4.855 4.340 -0.000 0.000 0.280 253 L C -1.078 175.602 176.870 -0.316 0.000 1.006 253 L CA 0.148 54.875 54.840 -0.187 0.000 0.836 253 L CB 0.924 42.907 42.059 -0.127 0.000 1.221 253 L HN 0.199 nan 8.230 nan 0.000 0.418 254 F N 5.756 125.705 119.950 -0.002 0.000 2.408 254 F HA 0.537 5.063 4.527 -0.000 0.000 0.344 254 F C 0.145 175.782 175.800 -0.271 0.000 1.112 254 F CA -0.313 57.663 58.000 -0.040 0.000 1.096 254 F CB 1.132 40.267 39.000 0.224 0.000 1.129 254 F HN 0.246 nan 8.300 nan 0.000 0.486 255 I N 2.789 123.312 120.570 -0.078 0.000 2.418 255 I HA 0.262 4.431 4.170 -0.000 0.000 0.287 255 I C -1.237 174.795 176.117 -0.143 0.000 1.008 255 I CA -0.409 60.773 61.300 -0.198 0.000 1.104 255 I CB 1.736 39.623 38.000 -0.188 0.000 1.264 255 I HN 0.471 nan 8.210 nan 0.000 0.438 256 D N 6.216 126.483 120.400 -0.221 0.000 2.476 256 D HA 0.231 4.871 4.640 -0.000 0.000 0.251 256 D C -1.259 175.039 176.300 -0.003 0.000 1.291 256 D CA -0.379 53.586 54.000 -0.058 0.000 0.939 256 D CB 1.010 41.832 40.800 0.038 0.000 1.221 256 D HN 0.326 nan 8.370 nan 0.000 0.567 257 N N 4.107 122.838 118.700 0.051 0.000 2.321 257 N HA 0.196 4.936 4.740 -0.000 0.000 0.299 257 N C 0.746 176.315 175.510 0.099 0.000 1.048 257 N CA -0.559 52.541 53.050 0.084 0.000 0.836 257 N CB 1.694 40.272 38.487 0.152 0.000 1.269 257 N HN 0.460 nan 8.380 nan 0.000 0.486 258 I N 3.929 124.544 120.570 0.075 0.000 2.335 258 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 258 I C 1.764 178.012 176.117 0.218 0.000 1.129 258 I CA 1.178 62.535 61.300 0.095 0.000 1.402 258 I CB -0.343 37.657 38.000 0.000 0.000 1.069 258 I HN 0.638 nan 8.210 nan 0.000 0.424 259 F N 1.525 121.555 119.950 0.133 0.000 2.161 259 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 259 F C 2.380 178.278 175.800 0.162 0.000 1.089 259 F CA 1.622 59.733 58.000 0.186 0.000 1.282 259 F CB -0.437 38.731 39.000 0.279 0.000 1.010 259 F HN -0.036 nan 8.300 nan 0.000 0.485 260 R N -0.325 120.127 120.500 -0.081 0.000 2.148 260 R HA -0.181 4.159 4.340 -0.000 0.000 0.227 260 R C 2.220 178.444 176.300 -0.127 0.000 1.103 260 R CA 1.370 57.354 56.100 -0.193 0.000 0.983 260 R CB -1.392 28.906 30.300 -0.004 0.000 0.874 260 R HN 0.480 nan 8.270 nan 0.000 0.451 261 F N 1.708 121.570 119.950 -0.146 0.000 2.234 261 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 261 F C 1.873 177.599 175.800 -0.124 0.000 1.087 261 F CA 1.424 59.357 58.000 -0.112 0.000 1.340 261 F CB -0.158 38.793 39.000 -0.082 0.000 1.031 261 F HN -0.144 nan 8.300 nan 0.000 0.500 262 T N 0.524 114.920 114.554 -0.263 0.000 2.851 262 T HA -0.201 4.149 4.350 -0.000 0.000 0.262 262 T C 1.795 176.311 174.700 -0.306 0.000 1.043 262 T CA 1.463 63.384 62.100 -0.299 0.000 1.140 262 T CB -0.388 68.449 68.868 -0.052 0.000 0.872 262 T HN 0.585 nan 8.240 nan 0.000 0.446 263 Q N 1.036 120.559 119.800 -0.462 0.000 2.369 263 Q HA 0.243 4.583 4.340 -0.000 0.000 0.206 263 Q C 2.182 178.034 176.000 -0.246 0.000 0.963 263 Q CA 1.032 56.615 55.803 -0.366 0.000 0.894 263 Q CB -0.264 28.169 28.738 -0.508 0.000 0.965 263 Q HN 0.450 nan 8.270 nan 0.000 0.475 264 A N 1.409 124.076 122.820 -0.255 0.000 1.898 264 A HA 0.124 4.444 4.320 -0.000 0.000 0.214 264 A C 2.368 179.835 177.584 -0.196 0.000 1.183 264 A CA 1.013 52.939 52.037 -0.185 0.000 0.622 264 A CB -1.218 17.692 19.000 -0.151 0.000 0.824 264 A HN 0.528 nan 8.150 nan 0.000 0.444 265 G N -0.622 107.998 108.800 -0.300 0.000 2.469 265 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 265 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 265 G C 1.916 176.726 174.900 -0.151 0.000 1.150 265 G CA 1.528 46.467 45.100 -0.269 0.000 0.763 265 G HN 0.505 nan 8.290 nan 0.000 0.561 266 S N -0.073 115.548 115.700 -0.132 0.000 2.382 266 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 266 S C 2.257 176.806 174.600 -0.084 0.000 1.027 266 S CA 1.729 59.879 58.200 -0.082 0.000 0.991 266 S CB -0.209 62.934 63.200 -0.095 0.000 0.823 266 S HN 0.599 nan 8.310 nan 0.000 0.469 267 E N -0.049 120.093 120.200 -0.097 0.000 2.047 267 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 267 E C 2.127 178.693 176.600 -0.056 0.000 0.987 267 E CA 1.419 57.775 56.400 -0.074 0.000 0.799 267 E CB -0.112 29.544 29.700 -0.074 0.000 0.752 267 E HN 0.343 nan 8.360 nan 0.000 0.449 268 V N 0.665 120.542 119.914 -0.061 0.000 2.295 268 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 268 V C 2.375 178.448 176.094 -0.035 0.000 1.049 268 V CA 1.888 64.163 62.300 -0.042 0.000 1.024 268 V CB -0.657 31.140 31.823 -0.043 0.000 0.648 268 V HN 0.245 nan 8.190 nan 0.000 0.447 269 S N -0.230 115.445 115.700 -0.042 0.000 2.365 269 S HA -0.271 4.198 4.470 -0.000 0.000 0.225 269 S C 2.159 176.746 174.600 -0.022 0.000 1.039 269 S CA 1.890 60.073 58.200 -0.028 0.000 1.033 269 S CB -0.457 62.727 63.200 -0.026 0.000 0.887 269 S HN 0.649 nan 8.310 nan 0.000 0.447 270 A N 1.374 124.177 122.820 -0.028 0.000 1.883 270 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 270 A C 2.203 179.776 177.584 -0.018 0.000 1.186 270 A CA 1.667 53.689 52.037 -0.024 0.000 0.624 270 A CB -0.888 18.092 19.000 -0.033 0.000 0.822 270 A HN 0.584 nan 8.150 nan 0.000 0.444 271 L N -0.745 120.467 121.223 -0.019 0.000 2.131 271 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 271 L C 2.457 179.323 176.870 -0.007 0.000 1.092 271 L CA 0.819 55.652 54.840 -0.013 0.000 0.759 271 L CB -0.571 41.480 42.059 -0.013 0.000 0.903 271 L HN 0.354 nan 8.230 nan 0.000 0.435 272 L N -0.189 121.030 121.223 -0.007 0.000 2.191 272 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 272 L C 1.539 178.409 176.870 -0.000 0.000 1.103 272 L CA 1.062 55.901 54.840 -0.001 0.000 0.769 272 L CB -0.535 41.523 42.059 -0.002 0.000 0.908 272 L HN 0.579 nan 8.230 nan 0.000 0.438 273 G N -0.114 108.684 108.800 -0.003 0.000 2.148 273 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.203 273 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.203 273 G C 0.092 174.991 174.900 -0.001 0.000 0.993 273 G CA -0.512 44.587 45.100 -0.002 0.000 0.661 273 G HN 0.301 nan 8.290 nan 0.000 0.518 274 R N -0.131 120.368 120.500 -0.002 0.000 2.442 274 R HA 0.460 4.800 4.340 -0.000 0.000 0.291 274 R C 0.739 177.040 176.300 0.002 0.000 1.069 274 R CA -0.525 55.575 56.100 0.000 0.000 1.022 274 R CB 0.769 31.068 30.300 -0.001 0.000 0.976 274 R HN 0.270 nan 8.270 nan 0.000 0.443 275 I N 5.242 125.815 120.570 0.005 0.000 2.906 275 I HA -0.104 4.066 4.170 -0.000 0.000 0.301 275 I C -1.770 174.354 176.117 0.011 0.000 1.221 275 I CA -0.568 60.736 61.300 0.007 0.000 1.435 275 I CB 0.013 38.018 38.000 0.009 0.000 1.345 275 I HN 0.375 nan 8.210 nan 0.000 0.558 276 P HA 0.133 nan 4.420 nan 0.000 0.272 276 P C -0.433 176.887 177.300 0.033 0.000 1.223 276 P CA -0.295 62.816 63.100 0.017 0.000 0.784 276 P CB 1.037 32.739 31.700 0.004 0.000 0.923 277 S N 1.171 116.905 115.700 0.057 0.000 2.647 277 S HA 0.666 5.135 4.470 -0.000 0.000 0.284 277 S C -0.285 174.372 174.600 0.095 0.000 1.134 277 S CA -0.500 57.743 58.200 0.072 0.000 1.027 277 S CB 0.004 63.253 63.200 0.082 0.000 1.180 277 S HN 0.509 nan 8.310 nan 0.000 0.521 278 A N 0.491 123.375 122.820 0.105 0.000 2.584 278 A HA 0.319 4.639 4.320 -0.000 0.000 0.239 278 A C 1.099 178.809 177.584 0.210 0.000 1.043 278 A CA 0.567 52.677 52.037 0.123 0.000 0.756 278 A CB -1.064 17.997 19.000 0.101 0.000 0.963 278 A HN 1.662 nan 8.150 nan 0.000 0.511 279 V N 1.470 121.478 119.914 0.156 0.000 2.956 279 V HA -0.340 3.780 4.120 -0.000 0.000 0.165 279 V C 1.957 178.056 176.094 0.008 0.000 0.450 279 V CA 1.848 64.237 62.300 0.148 0.000 1.165 279 V CB -2.417 29.592 31.823 0.309 0.000 1.346 279 V HN 2.953 nan 8.190 nan 0.000 1.106 280 G N -2.680 106.130 108.800 0.017 0.000 2.225 280 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 280 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 280 G C -0.040 174.805 174.900 -0.092 0.000 0.988 280 G CA 0.274 45.333 45.100 -0.069 0.000 0.625 280 G HN 0.887 nan 8.290 nan 0.000 0.527 281 Y N 2.347 122.663 120.300 0.026 0.000 2.511 281 Y HA 0.314 4.864 4.550 -0.000 0.000 0.347 281 Y C 1.528 177.426 175.900 -0.003 0.000 1.257 281 Y CA 0.344 58.452 58.100 0.013 0.000 1.469 281 Y CB 0.413 38.891 38.460 0.030 0.000 1.353 281 Y HN 0.434 nan 8.280 nan 0.000 0.617 282 Q N 3.074 122.963 119.800 0.149 0.000 2.361 282 Q HA 0.042 4.382 4.340 -0.000 0.000 0.276 282 Q C -2.298 173.744 176.000 0.070 0.000 1.022 282 Q CA -1.569 54.273 55.803 0.066 0.000 0.898 282 Q CB 0.567 29.316 28.738 0.019 0.000 1.246 282 Q HN 0.393 nan 8.270 nan 0.000 0.410 283 P HA -0.140 nan 4.420 nan 0.000 0.221 283 P C 0.852 178.171 177.300 0.031 0.000 1.141 283 P CA 1.897 65.019 63.100 0.037 0.000 0.794 283 P CB -0.038 31.676 31.700 0.023 0.000 0.764 284 T N -5.112 109.456 114.554 0.024 0.000 3.215 284 T HA 0.179 4.529 4.350 -0.000 0.000 0.271 284 T C 1.273 175.984 174.700 0.017 0.000 1.012 284 T CA -0.416 61.694 62.100 0.017 0.000 0.899 284 T CB -0.701 68.170 68.868 0.006 0.000 1.089 284 T HN -0.186 nan 8.240 nan 0.000 0.552 285 L N 2.215 123.452 121.223 0.024 0.000 2.010 285 L HA -0.096 4.243 4.340 -0.000 0.000 0.219 285 L C 2.594 179.482 176.870 0.029 0.000 1.077 285 L CA 2.478 57.326 54.840 0.014 0.000 0.773 285 L CB -1.245 40.810 42.059 -0.006 0.000 0.892 285 L HN 0.430 nan 8.230 nan 0.000 0.436 286 A N -1.709 121.136 122.820 0.043 0.000 1.897 286 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 286 A C 2.295 179.931 177.584 0.087 0.000 1.181 286 A CA 2.163 54.247 52.037 0.078 0.000 0.620 286 A CB -1.234 17.811 19.000 0.075 0.000 0.821 286 A HN 0.648 nan 8.150 nan 0.000 0.443 287 T N -2.370 112.222 114.554 0.062 0.000 2.904 287 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 287 T C 1.262 176.000 174.700 0.064 0.000 1.059 287 T CA 1.486 63.621 62.100 0.059 0.000 1.137 287 T CB -0.434 68.457 68.868 0.040 0.000 0.879 287 T HN 0.301 nan 8.240 nan 0.000 0.467 288 D N 0.894 121.331 120.400 0.061 0.000 2.117 288 D HA -0.020 4.619 4.640 -0.000 0.000 0.197 288 D C 1.899 178.322 176.300 0.206 0.000 0.987 288 D CA 1.011 55.067 54.000 0.094 0.000 0.829 288 D CB -0.418 40.375 40.800 -0.010 0.000 0.961 288 D HN 0.300 nan 8.370 nan 0.000 0.460 289 M N 0.445 120.135 119.600 0.149 0.000 2.086 289 M HA 0.012 4.492 4.480 -0.000 0.000 0.261 289 M C 2.000 178.231 176.300 -0.114 0.000 1.067 289 M CA 1.820 57.171 55.300 0.084 0.000 1.116 289 M CB -0.824 31.779 32.600 0.005 0.000 1.348 289 M HN 0.027 nan 8.290 nan 0.000 0.407 290 G N 0.184 108.954 108.800 -0.048 0.000 2.459 290 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 290 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 290 G C 1.454 176.343 174.900 -0.017 0.000 1.183 290 G CA 1.189 46.276 45.100 -0.021 0.000 0.776 290 G HN 0.517 nan 8.290 nan 0.000 0.552 291 L N -0.314 120.926 121.223 0.028 0.000 2.447 291 L HA -0.007 4.333 4.340 -0.000 0.000 0.225 291 L C 2.513 179.387 176.870 0.005 0.000 1.148 291 L CA 0.315 55.179 54.840 0.040 0.000 0.808 291 L CB -0.265 41.844 42.059 0.084 0.000 0.928 291 L HN 0.270 nan 8.230 nan 0.000 0.448 292 L N -1.690 119.498 121.223 -0.057 0.000 2.488 292 L HA 0.008 4.348 4.340 -0.000 0.000 0.186 292 L C 2.537 179.292 176.870 -0.191 0.000 1.124 292 L CA 0.632 55.369 54.840 -0.172 0.000 0.838 292 L CB -0.185 41.649 42.059 -0.376 0.000 1.107 292 L HN -0.000 nan 8.230 nan 0.000 0.494 293 Q N 0.279 119.928 119.800 -0.252 0.000 2.124 293 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 293 Q C 1.925 177.875 176.000 -0.083 0.000 0.977 293 Q CA 1.257 56.920 55.803 -0.233 0.000 0.850 293 Q CB -0.242 28.212 28.738 -0.473 0.000 0.901 293 Q HN 0.553 nan 8.270 nan 0.000 0.429 294 E N 0.690 120.866 120.200 -0.039 0.000 2.204 294 E HA -0.143 4.206 4.350 -0.000 0.000 0.195 294 E C 1.855 178.451 176.600 -0.005 0.000 0.990 294 E CA 0.643 57.057 56.400 0.024 0.000 0.821 294 E CB -0.079 29.649 29.700 0.047 0.000 0.750 294 E HN 0.335 nan 8.360 nan 0.000 0.477 295 R N 0.080 120.559 120.500 -0.035 0.000 2.235 295 R HA 0.090 4.430 4.340 -0.000 0.000 0.213 295 R C 0.753 177.024 176.300 -0.047 0.000 1.059 295 R CA 0.243 56.321 56.100 -0.037 0.000 0.997 295 R CB 0.071 30.343 30.300 -0.047 0.000 0.884 295 R HN 0.065 nan 8.270 nan 0.000 0.462 296 I N 1.175 121.709 120.570 -0.059 0.000 2.269 296 I HA 0.094 4.264 4.170 -0.000 0.000 0.293 296 I C 0.059 176.148 176.117 -0.046 0.000 1.106 296 I CA 0.120 61.380 61.300 -0.066 0.000 1.248 296 I CB 1.319 39.262 38.000 -0.095 0.000 1.444 296 I HN -0.082 nan 8.210 nan 0.000 0.497 297 T N 2.953 117.481 114.554 -0.043 0.000 2.718 297 T HA 0.333 4.683 4.350 -0.000 0.000 0.306 297 T C -0.801 173.873 174.700 -0.044 0.000 1.485 297 T CA -0.425 61.651 62.100 -0.038 0.000 0.997 297 T CB 1.664 70.516 68.868 -0.027 0.000 1.504 297 T HN 0.315 nan 8.240 nan 0.000 0.497 298 T N 2.663 117.189 114.554 -0.047 0.000 2.767 298 T HA 0.608 4.958 4.350 -0.000 0.000 0.288 298 T C 0.309 174.978 174.700 -0.051 0.000 0.963 298 T CA -0.475 61.596 62.100 -0.050 0.000 1.019 298 T CB 0.844 69.681 68.868 -0.052 0.000 0.923 298 T HN 0.824 nan 8.240 nan 0.000 0.468 299 T N 0.075 114.601 114.554 -0.048 0.000 2.938 299 T HA 0.443 4.792 4.350 -0.000 0.000 0.285 299 T C 1.251 175.923 174.700 -0.047 0.000 1.028 299 T CA -1.127 60.944 62.100 -0.048 0.000 1.005 299 T CB 1.349 70.193 68.868 -0.041 0.000 1.157 299 T HN 0.399 nan 8.240 nan 0.000 0.550 300 K N 0.007 120.379 120.400 -0.046 0.000 2.218 300 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 300 K C 1.932 178.509 176.600 -0.038 0.000 1.046 300 K CA 0.958 57.220 56.287 -0.041 0.000 0.933 300 K CB -0.072 32.405 32.500 -0.038 0.000 0.728 300 K HN 0.344 nan 8.250 nan 0.000 0.454 301 K N 0.279 120.656 120.400 -0.039 0.000 2.243 301 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 301 K C 0.981 177.558 176.600 -0.040 0.000 1.051 301 K CA 0.692 56.955 56.287 -0.040 0.000 0.970 301 K CB 0.726 33.199 32.500 -0.045 0.000 0.755 301 K HN 0.324 nan 8.250 nan 0.000 0.465 302 G N -0.656 108.120 108.800 -0.040 0.000 2.360 302 G HA2 0.165 4.125 3.960 -0.000 0.000 0.276 302 G HA3 0.165 4.125 3.960 -0.000 0.000 0.276 302 G C -1.519 173.356 174.900 -0.043 0.000 1.256 302 G CA -0.018 45.058 45.100 -0.040 0.000 0.890 302 G HN 0.139 nan 8.290 nan 0.000 0.486 303 S N -1.765 113.908 115.700 -0.045 0.000 2.588 303 S HA 0.780 5.250 4.470 -0.000 0.000 0.275 303 S C -1.474 173.099 174.600 -0.045 0.000 1.130 303 S CA -0.612 57.557 58.200 -0.051 0.000 0.855 303 S CB 2.041 65.201 63.200 -0.065 0.000 1.116 303 S HN 1.404 nan 8.310 nan 0.000 0.472 304 V N 2.216 122.099 119.914 -0.051 0.000 2.409 304 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 304 V C -0.490 175.551 176.094 -0.088 0.000 1.017 304 V CA -0.380 61.886 62.300 -0.056 0.000 0.841 304 V CB 1.524 33.322 31.823 -0.042 0.000 1.003 304 V HN 1.041 nan 8.190 nan 0.000 0.426 305 T N 3.275 117.761 114.554 -0.114 0.000 2.771 305 T HA 0.376 4.726 4.350 -0.000 0.000 0.281 305 T C -0.060 174.512 174.700 -0.213 0.000 0.982 305 T CA -0.227 61.784 62.100 -0.147 0.000 0.978 305 T CB 1.465 70.256 68.868 -0.128 0.000 0.930 305 T HN 0.552 nan 8.240 nan 0.000 0.447 306 S N 2.616 118.182 115.700 -0.224 0.000 2.433 306 S HA 0.520 4.990 4.470 -0.000 0.000 0.310 306 S C -0.285 174.141 174.600 -0.291 0.000 1.097 306 S CA -0.664 57.380 58.200 -0.259 0.000 1.103 306 S CB 0.349 63.429 63.200 -0.201 0.000 0.992 306 S HN 0.488 nan 8.310 nan 0.000 0.469 307 V N 6.685 126.395 119.914 -0.340 0.000 2.318 307 V HA 0.397 4.516 4.120 -0.000 0.000 0.271 307 V C -0.155 175.924 176.094 -0.026 0.000 1.030 307 V CA -0.526 61.667 62.300 -0.179 0.000 0.844 307 V CB 0.914 32.723 31.823 -0.023 0.000 1.015 307 V HN 0.811 nan 8.190 nan 0.000 0.460 308 Q N 3.298 123.043 119.800 -0.092 0.000 2.348 308 Q HA 0.654 4.994 4.340 -0.000 0.000 0.265 308 Q C 0.020 175.938 176.000 -0.137 0.000 0.998 308 Q CA -0.553 55.188 55.803 -0.103 0.000 0.831 308 Q CB 2.233 30.876 28.738 -0.159 0.000 1.251 308 Q HN 0.862 nan 8.270 nan 0.000 0.456 309 A N 2.893 125.675 122.820 -0.063 0.000 2.484 309 A HA 0.327 4.647 4.320 -0.000 0.000 0.268 309 A C -0.153 177.345 177.584 -0.145 0.000 1.114 309 A CA -0.236 51.745 52.037 -0.093 0.000 0.780 309 A CB 0.145 19.162 19.000 0.028 0.000 1.061 309 A HN 0.513 nan 8.150 nan 0.000 0.505 310 V N 4.617 124.315 119.914 -0.360 0.000 2.334 310 V HA 0.187 4.307 4.120 -0.000 0.000 0.281 310 V C -0.375 175.675 176.094 -0.073 0.000 1.016 310 V CA -0.537 61.596 62.300 -0.279 0.000 0.832 310 V CB 0.521 32.006 31.823 -0.562 0.000 0.999 310 V HN 0.788 nan 8.190 nan 0.000 0.439 311 Y N 5.152 125.453 120.300 0.001 0.000 2.309 311 Y HA 0.534 5.084 4.550 0.000 0.000 0.327 311 Y C -0.083 175.789 175.900 -0.048 0.000 1.172 311 Y CA -0.255 57.829 58.100 -0.026 0.000 1.280 311 Y CB 1.424 39.828 38.460 -0.094 0.000 1.234 311 Y HN 0.383 nan 8.280 nan 0.000 0.512 312 V N 8.523 127.996 119.914 -0.734 0.000 2.325 312 V HA 0.291 4.411 4.120 -0.000 0.000 0.280 312 V C -2.321 173.301 176.094 -0.788 0.000 1.016 312 V CA -2.120 59.897 62.300 -0.472 0.000 0.818 312 V CB 1.007 32.789 31.823 -0.068 0.000 1.019 312 V HN 0.732 nan 8.190 nan 0.000 0.434 313 P HA 0.136 nan 4.420 nan 0.000 0.258 313 P C 0.678 177.883 177.300 -0.159 0.000 1.187 313 P CA 0.905 63.819 63.100 -0.310 0.000 0.767 313 P CB 0.548 32.237 31.700 -0.018 0.000 0.770 314 A N 4.356 127.103 122.820 -0.121 0.000 2.847 314 A HA -0.249 4.071 4.320 -0.000 0.000 0.263 314 A C 0.988 178.527 177.584 -0.074 0.000 1.391 314 A CA 0.987 52.992 52.037 -0.052 0.000 0.866 314 A CB -2.526 16.472 19.000 -0.003 0.000 1.057 314 A HN 0.589 nan 8.150 nan 0.000 0.673 315 D N -1.363 118.957 120.400 -0.132 0.000 2.911 315 D HA -0.190 4.450 4.640 -0.000 0.000 0.227 315 D C -0.249 176.003 176.300 -0.080 0.000 1.164 315 D CA 2.013 55.950 54.000 -0.105 0.000 0.782 315 D CB -0.851 39.906 40.800 -0.072 0.000 1.094 315 D HN 0.938 nan 8.370 nan 0.000 0.425 316 D N 0.322 120.680 120.400 -0.070 0.000 2.472 316 D HA 0.248 4.888 4.640 -0.000 0.000 0.234 316 D C 1.345 177.618 176.300 -0.045 0.000 1.088 316 D CA -0.526 53.446 54.000 -0.047 0.000 0.882 316 D CB 0.302 41.091 40.800 -0.018 0.000 1.037 316 D HN 0.060 nan 8.370 nan 0.000 0.520 317 L N 2.488 123.664 121.223 -0.079 0.000 2.549 317 L HA -0.061 4.279 4.340 -0.000 0.000 0.230 317 L C 2.069 178.877 176.870 -0.103 0.000 1.162 317 L CA 1.333 56.102 54.840 -0.118 0.000 0.834 317 L CB -0.198 41.718 42.059 -0.239 0.000 0.947 317 L HN 0.484 nan 8.230 nan 0.000 0.452 318 T N -5.713 108.805 114.554 -0.059 0.000 3.040 318 T HA 0.002 4.352 4.350 -0.000 0.000 0.250 318 T C 0.765 175.463 174.700 -0.003 0.000 1.058 318 T CA -0.512 61.563 62.100 -0.041 0.000 0.988 318 T CB -0.120 68.725 68.868 -0.038 0.000 0.993 318 T HN 0.107 nan 8.240 nan 0.000 0.519 319 D N 3.012 123.424 120.400 0.020 0.000 2.533 319 D HA 0.022 4.662 4.640 -0.000 0.000 0.236 319 D C -1.429 174.867 176.300 -0.007 0.000 1.137 319 D CA -1.262 52.771 54.000 0.054 0.000 0.867 319 D CB 1.518 42.380 40.800 0.102 0.000 1.170 319 D HN 0.028 nan 8.370 nan 0.000 0.474 320 P HA -0.195 nan 4.420 nan 0.000 0.217 320 P C 0.894 177.991 177.300 -0.339 0.000 1.151 320 P CA 2.056 64.994 63.100 -0.270 0.000 0.849 320 P CB 0.091 31.513 31.700 -0.463 0.000 0.787 321 A N 0.368 122.920 122.820 -0.446 0.000 1.834 321 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 321 A C 0.009 177.663 177.584 0.116 0.000 1.203 321 A CA 2.579 54.555 52.037 -0.101 0.000 0.621 321 A CB -2.287 16.918 19.000 0.341 0.000 0.841 321 A HN 0.219 nan 8.150 nan 0.000 0.446 322 P HA -0.077 nan 4.420 nan 0.000 0.217 322 P C 1.651 179.225 177.300 0.455 0.000 1.151 322 P CA 1.922 65.236 63.100 0.355 0.000 0.828 322 P CB -0.243 31.726 31.700 0.448 0.000 0.788 323 A N 0.300 123.263 122.820 0.240 0.000 1.869 323 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 323 A C 2.446 180.138 177.584 0.180 0.000 1.203 323 A CA 3.047 55.180 52.037 0.161 0.000 0.638 323 A CB -2.113 16.912 19.000 0.042 0.000 0.831 323 A HN 0.184 nan 8.150 nan 0.000 0.450 324 T N -0.187 114.435 114.554 0.113 0.000 2.665 324 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 324 T C 2.025 176.855 174.700 0.216 0.000 1.035 324 T CA 2.215 64.392 62.100 0.128 0.000 1.151 324 T CB -0.671 68.234 68.868 0.061 0.000 0.862 324 T HN 0.655 nan 8.240 nan 0.000 0.438 325 T N 1.405 116.077 114.554 0.198 0.000 2.674 325 T HA -0.041 4.309 4.350 -0.000 0.000 0.265 325 T C 1.627 176.413 174.700 0.142 0.000 1.039 325 T CA 1.132 63.319 62.100 0.144 0.000 1.150 325 T CB -0.675 68.215 68.868 0.036 0.000 0.864 325 T HN 0.317 nan 8.240 nan 0.000 0.427 326 F N 1.762 121.786 119.950 0.124 0.000 2.192 326 F HA -0.095 4.432 4.527 0.000 0.000 0.301 326 F C 2.615 178.451 175.800 0.059 0.000 1.079 326 F CA 0.791 58.850 58.000 0.099 0.000 1.303 326 F CB -0.528 38.518 39.000 0.077 0.000 1.024 326 F HN 0.145 nan 8.300 nan 0.000 0.494 327 A N -1.277 121.670 122.820 0.212 0.000 2.070 327 A HA -0.194 4.125 4.320 -0.000 0.000 0.220 327 A C 1.617 179.126 177.584 -0.124 0.000 1.159 327 A CA 1.485 53.534 52.037 0.020 0.000 0.656 327 A CB -0.842 18.128 19.000 -0.052 0.000 0.800 327 A HN 0.490 nan 8.150 nan 0.000 0.453 328 H N -1.245 117.852 119.070 0.045 0.000 2.529 328 H HA 0.325 4.881 4.556 -0.000 0.000 0.277 328 H C -0.348 174.967 175.328 -0.021 0.000 1.004 328 H CA -0.060 55.990 56.048 0.004 0.000 1.167 328 H CB 0.087 29.840 29.762 -0.015 0.000 1.445 328 H HN 0.311 nan 8.280 nan 0.000 0.554 329 L N 1.123 122.389 121.223 0.072 0.000 2.295 329 L HA 0.160 4.500 4.340 -0.000 0.000 0.285 329 L C 0.721 177.614 176.870 0.039 0.000 1.035 329 L CA -0.294 54.562 54.840 0.027 0.000 0.806 329 L CB 1.691 43.750 42.059 -0.000 0.000 1.214 329 L HN 0.040 nan 8.230 nan 0.000 0.426 330 D N 1.755 122.158 120.400 0.004 0.000 2.388 330 D HA 0.251 4.891 4.640 -0.000 0.000 0.208 330 D C 0.362 176.677 176.300 0.025 0.000 1.035 330 D CA 0.495 54.501 54.000 0.009 0.000 0.875 330 D CB 1.430 42.220 40.800 -0.017 0.000 0.984 330 D HN 0.581 nan 8.370 nan 0.000 0.508 331 A N 0.226 123.055 122.820 0.015 0.000 2.599 331 A HA 0.590 4.910 4.320 -0.000 0.000 0.290 331 A C -0.810 176.825 177.584 0.086 0.000 1.101 331 A CA -0.579 51.493 52.037 0.059 0.000 0.674 331 A CB 1.505 20.550 19.000 0.075 0.000 1.277 331 A HN -0.014 nan 8.150 nan 0.000 0.419 332 T N -1.476 113.173 114.554 0.158 0.000 2.893 332 T HA 0.771 5.121 4.350 -0.000 0.000 0.291 332 T C -0.671 174.172 174.700 0.239 0.000 1.028 332 T CA -0.542 61.700 62.100 0.237 0.000 0.995 332 T CB 1.720 70.776 68.868 0.312 0.000 1.051 332 T HN 0.686 nan 8.240 nan 0.000 0.470 333 T N 2.142 116.848 114.554 0.255 0.000 2.815 333 T HA 0.515 4.865 4.350 -0.000 0.000 0.289 333 T C -0.449 174.339 174.700 0.146 0.000 1.000 333 T CA -0.592 61.622 62.100 0.190 0.000 0.958 333 T CB 1.071 70.059 68.868 0.200 0.000 0.944 333 T HN 0.648 nan 8.240 nan 0.000 0.442 334 V N 5.656 125.628 119.914 0.096 0.000 2.294 334 V HA 0.359 4.479 4.120 -0.000 0.000 0.272 334 V C 0.191 176.285 176.094 0.000 0.000 1.027 334 V CA -0.805 61.548 62.300 0.088 0.000 0.823 334 V CB 0.323 32.172 31.823 0.045 0.000 1.030 334 V HN 0.752 nan 8.190 nan 0.000 0.457 335 L N 3.392 124.597 121.223 -0.029 0.000 2.371 335 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 335 L C 0.453 177.316 176.870 -0.012 0.000 1.124 335 L CA 0.341 55.145 54.840 -0.060 0.000 0.816 335 L CB 1.446 43.449 42.059 -0.093 0.000 1.129 335 L HN 0.654 nan 8.230 nan 0.000 0.448 336 S N 1.657 117.339 115.700 -0.029 0.000 2.614 336 S HA 0.278 4.748 4.470 -0.000 0.000 0.275 336 S C 0.686 175.266 174.600 -0.033 0.000 1.161 336 S CA -0.944 57.244 58.200 -0.021 0.000 0.969 336 S CB 1.276 64.459 63.200 -0.028 0.000 1.059 336 S HN 0.737 nan 8.310 nan 0.000 0.482 337 R N 3.094 123.588 120.500 -0.010 0.000 2.285 337 R HA 0.024 4.364 4.340 -0.000 0.000 0.213 337 R C 1.539 177.827 176.300 -0.020 0.000 1.068 337 R CA 1.387 57.482 56.100 -0.007 0.000 1.004 337 R CB -1.054 29.256 30.300 0.016 0.000 0.873 337 R HN 0.615 nan 8.270 nan 0.000 0.467 338 G N 1.948 110.732 108.800 -0.026 0.000 2.394 338 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.215 338 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.215 338 G C 1.470 176.343 174.900 -0.044 0.000 1.165 338 G CA 0.190 45.271 45.100 -0.030 0.000 0.784 338 G HN 0.125 nan 8.290 nan 0.000 0.535 339 I N 1.309 121.840 120.570 -0.064 0.000 2.233 339 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 339 I C 2.957 178.975 176.117 -0.164 0.000 1.093 339 I CA 1.392 62.636 61.300 -0.094 0.000 1.380 339 I CB -1.086 36.853 38.000 -0.102 0.000 1.067 339 I HN 0.259 nan 8.210 nan 0.000 0.413 340 S N 0.846 116.427 115.700 -0.198 0.000 2.359 340 S HA -0.269 4.201 4.470 -0.000 0.000 0.223 340 S C 1.818 176.352 174.600 -0.111 0.000 1.039 340 S CA 1.821 59.855 58.200 -0.277 0.000 1.042 340 S CB -0.336 62.800 63.200 -0.106 0.000 0.915 340 S HN 0.457 nan 8.310 nan 0.000 0.439 341 E N -0.089 120.093 120.200 -0.031 0.000 2.510 341 E HA -0.019 4.330 4.350 -0.000 0.000 0.202 341 E C 1.078 177.693 176.600 0.025 0.000 1.072 341 E CA 0.462 56.873 56.400 0.017 0.000 0.883 341 E CB -0.113 29.596 29.700 0.015 0.000 0.818 341 E HN 0.552 nan 8.360 nan 0.000 0.548 342 L N -1.131 120.095 121.223 0.005 0.000 2.667 342 L HA 0.257 4.597 4.340 -0.000 0.000 0.232 342 L C 1.100 178.030 176.870 0.100 0.000 1.138 342 L CA 0.009 54.876 54.840 0.044 0.000 0.921 342 L CB 0.510 42.592 42.059 0.040 0.000 1.180 342 L HN 0.094 nan 8.230 nan 0.000 0.487 343 G N 1.515 110.377 108.800 0.104 0.000 2.295 343 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.287 343 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.287 343 G C -0.037 175.016 174.900 0.255 0.000 1.055 343 G CA -0.138 45.133 45.100 0.285 0.000 0.922 343 G HN 0.187 nan 8.290 nan 0.000 0.503 344 I N 0.442 120.912 120.570 -0.167 0.000 2.390 344 I HA 0.442 4.612 4.170 -0.000 0.000 0.283 344 I C -0.411 175.411 176.117 -0.491 0.000 1.016 344 I CA -1.299 59.895 61.300 -0.176 0.000 1.151 344 I CB 0.687 38.639 38.000 -0.080 0.000 1.293 344 I HN 0.107 nan 8.210 nan 0.000 0.458 345 Y N 7.012 127.239 120.300 -0.122 0.000 2.376 345 Y HA 0.458 5.008 4.550 0.000 0.000 0.340 345 Y C -2.126 173.580 175.900 -0.324 0.000 0.965 345 Y CA -2.396 55.600 58.100 -0.173 0.000 1.078 345 Y CB 2.034 40.391 38.460 -0.171 0.000 1.193 345 Y HN 0.384 nan 8.280 nan 0.000 0.452 346 P HA 0.120 nan 4.420 nan 0.000 0.274 346 P C -0.391 176.901 177.300 -0.013 0.000 1.231 346 P CA -0.318 62.818 63.100 0.060 0.000 0.790 346 P CB 1.229 33.158 31.700 0.382 0.000 0.951 347 A N 2.905 125.693 122.820 -0.053 0.000 2.916 347 A HA 0.215 4.535 4.320 -0.000 0.000 0.254 347 A C 0.531 178.067 177.584 -0.080 0.000 1.544 347 A CA -0.293 51.650 52.037 -0.158 0.000 1.224 347 A CB -1.270 17.605 19.000 -0.208 0.000 1.012 347 A HN 0.361 nan 8.150 nan 0.000 0.636 348 V N 1.193 121.086 119.914 -0.035 0.000 2.637 348 V HA 0.018 4.138 4.120 -0.000 0.000 0.296 348 V C 0.476 176.555 176.094 -0.025 0.000 1.046 348 V CA -0.287 61.998 62.300 -0.024 0.000 1.066 348 V CB 1.063 32.910 31.823 0.040 0.000 0.968 348 V HN 0.592 nan 8.190 nan 0.000 0.483 349 D N 7.642 128.030 120.400 -0.021 0.000 2.365 349 D HA 0.184 4.823 4.640 -0.000 0.000 0.237 349 D C -1.275 175.017 176.300 -0.012 0.000 1.190 349 D CA -1.900 52.089 54.000 -0.020 0.000 0.867 349 D CB 1.962 42.747 40.800 -0.024 0.000 1.050 349 D HN 0.270 nan 8.370 nan 0.000 0.491 350 P HA -0.123 nan 4.420 nan 0.000 0.218 350 P C 1.610 178.896 177.300 -0.024 0.000 1.149 350 P CA 0.798 63.884 63.100 -0.023 0.000 0.817 350 P CB 0.572 32.257 31.700 -0.024 0.000 0.785 351 L N -0.606 120.605 121.223 -0.021 0.000 2.071 351 L HA -0.046 4.293 4.340 -0.000 0.000 0.201 351 L C 2.343 179.198 176.870 -0.025 0.000 1.076 351 L CA 1.491 56.317 54.840 -0.024 0.000 0.755 351 L CB -1.385 40.659 42.059 -0.025 0.000 0.915 351 L HN -0.146 nan 8.230 nan 0.000 0.445 352 D N 0.251 120.634 120.400 -0.028 0.000 2.092 352 D HA -0.105 4.535 4.640 -0.000 0.000 0.193 352 D C 0.860 177.150 176.300 -0.018 0.000 0.994 352 D CA 0.946 54.925 54.000 -0.036 0.000 0.828 352 D CB -0.069 40.702 40.800 -0.047 0.000 0.963 352 D HN 0.133 nan 8.370 nan 0.000 0.450 353 S N 0.354 116.059 115.700 0.008 0.000 2.558 353 S HA 0.213 4.683 4.470 -0.000 0.000 0.288 353 S C 0.142 174.771 174.600 0.047 0.000 1.318 353 S CA 0.156 58.386 58.200 0.050 0.000 1.056 353 S CB 0.924 64.168 63.200 0.073 0.000 0.853 353 S HN 0.089 nan 8.310 nan 0.000 0.505 354 K N 0.873 121.317 120.400 0.073 0.000 2.502 354 K HA 0.536 4.856 4.320 -0.000 0.000 0.257 354 K C -1.103 175.546 176.600 0.083 0.000 0.938 354 K CA -0.406 55.917 56.287 0.059 0.000 0.819 354 K CB 2.169 34.692 32.500 0.038 0.000 1.333 354 K HN 0.485 nan 8.250 nan 0.000 0.434 355 S N 1.152 116.891 115.700 0.065 0.000 2.605 355 S HA 0.227 4.696 4.470 -0.000 0.000 0.308 355 S C 0.344 174.974 174.600 0.049 0.000 1.113 355 S CA -0.719 57.522 58.200 0.068 0.000 1.049 355 S CB 1.112 64.356 63.200 0.073 0.000 1.001 355 S HN 0.715 nan 8.310 nan 0.000 0.480 356 R N 3.928 124.457 120.500 0.048 0.000 2.377 356 R HA 0.106 4.446 4.340 -0.000 0.000 0.207 356 R C 0.473 176.792 176.300 0.032 0.000 1.075 356 R CA 1.056 57.180 56.100 0.039 0.000 1.035 356 R CB -0.164 30.157 30.300 0.035 0.000 0.857 356 R HN 0.712 nan 8.270 nan 0.000 0.475 357 L N 0.394 121.634 121.223 0.029 0.000 2.766 357 L HA 0.138 4.478 4.340 -0.000 0.000 0.242 357 L C 0.149 177.020 176.870 0.002 0.000 1.136 357 L CA -0.347 54.501 54.840 0.014 0.000 0.933 357 L CB 0.424 42.486 42.059 0.004 0.000 1.241 357 L HN 0.091 nan 8.230 nan 0.000 0.522 358 L N 1.866 123.098 121.223 0.015 0.000 2.376 358 L HA 0.201 4.541 4.340 -0.000 0.000 0.250 358 L C -0.607 176.356 176.870 0.155 0.000 1.335 358 L CA 0.639 55.486 54.840 0.012 0.000 1.214 358 L CB -0.752 41.295 42.059 -0.019 0.000 1.395 358 L HN 0.037 nan 8.230 nan 0.000 0.424 359 D N 1.025 121.530 120.400 0.174 0.000 2.964 359 D HA 0.449 5.089 4.640 -0.000 0.000 0.234 359 D C 0.857 177.205 176.300 0.081 0.000 1.223 359 D CA 0.128 54.250 54.000 0.203 0.000 0.889 359 D CB 1.985 42.834 40.800 0.082 0.000 1.609 359 D HN 0.200 nan 8.370 nan 0.000 0.523 360 A N 3.336 126.094 122.820 -0.103 0.000 1.927 360 A HA -0.121 4.198 4.320 -0.000 0.000 0.220 360 A C 2.073 179.617 177.584 -0.067 0.000 1.185 360 A CA 2.508 54.452 52.037 -0.156 0.000 0.639 360 A CB -0.988 17.797 19.000 -0.358 0.000 0.820 360 A HN 0.746 nan 8.150 nan 0.000 0.451 361 A N -1.247 121.533 122.820 -0.066 0.000 2.070 361 A HA 0.143 4.463 4.320 -0.000 0.000 0.220 361 A C 2.017 179.588 177.584 -0.022 0.000 1.159 361 A CA 1.876 53.889 52.037 -0.039 0.000 0.656 361 A CB -0.441 18.537 19.000 -0.037 0.000 0.800 361 A HN 0.489 nan 8.150 nan 0.000 0.453 362 V N -0.919 118.985 119.914 -0.017 0.000 2.721 362 V HA -0.062 4.058 4.120 -0.000 0.000 0.236 362 V C 2.421 178.499 176.094 -0.026 0.000 1.116 362 V CA 1.145 63.434 62.300 -0.019 0.000 1.148 362 V CB -0.607 31.205 31.823 -0.019 0.000 0.886 362 V HN 0.423 nan 8.190 nan 0.000 0.490 363 V N -0.621 119.267 119.914 -0.043 0.000 2.871 363 V HA 0.537 4.657 4.120 -0.000 0.000 0.256 363 V C 1.048 177.158 176.094 0.026 0.000 1.082 363 V CA 0.631 62.878 62.300 -0.088 0.000 1.105 363 V CB -1.165 30.458 31.823 -0.333 0.000 0.713 363 V HN 1.129 nan 8.190 nan 0.000 0.473 364 G N 0.041 108.865 108.800 0.041 0.000 2.719 364 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 364 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 364 G C -0.194 174.767 174.900 0.102 0.000 1.201 364 G CA 0.219 45.355 45.100 0.061 0.000 0.768 364 G HN 0.467 nan 8.290 nan 0.000 0.629 365 Q N 0.048 119.882 119.800 0.057 0.000 2.181 365 Q HA -0.084 4.256 4.340 -0.000 0.000 0.205 365 Q C 2.353 178.437 176.000 0.141 0.000 0.980 365 Q CA 2.595 58.437 55.803 0.066 0.000 0.862 365 Q CB -0.091 28.656 28.738 0.014 0.000 0.905 365 Q HN 0.728 nan 8.270 nan 0.000 0.429 366 E N -0.330 119.944 120.200 0.123 0.000 2.012 366 E HA -0.288 4.061 4.350 -0.000 0.000 0.211 366 E C 1.860 178.564 176.600 0.173 0.000 1.029 366 E CA 1.646 58.121 56.400 0.127 0.000 0.867 366 E CB -0.700 29.063 29.700 0.106 0.000 0.790 366 E HN 0.546 nan 8.360 nan 0.000 0.482 367 H N 0.075 119.198 119.070 0.088 0.000 2.265 367 H HA -0.225 4.330 4.556 -0.000 0.000 0.293 367 H C 2.144 177.529 175.328 0.095 0.000 1.089 367 H CA 2.297 58.391 56.048 0.077 0.000 1.244 367 H CB -0.847 28.955 29.762 0.067 0.000 1.355 367 H HN 0.317 nan 8.280 nan 0.000 0.485 368 Y N 1.450 121.904 120.300 0.257 0.000 2.151 368 Y HA -0.270 4.280 4.550 -0.001 0.000 0.284 368 Y C 2.207 178.169 175.900 0.103 0.000 1.166 368 Y CA 2.230 60.423 58.100 0.154 0.000 1.163 368 Y CB -0.218 38.284 38.460 0.070 0.000 0.974 368 Y HN 0.243 nan 8.280 nan 0.000 0.511 369 D N -0.721 119.866 120.400 0.312 0.000 2.117 369 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 369 D C 2.326 178.668 176.300 0.070 0.000 0.982 369 D CA 1.568 55.686 54.000 0.198 0.000 0.828 369 D CB -0.385 40.523 40.800 0.180 0.000 0.967 369 D HN 0.303 nan 8.370 nan 0.000 0.464 370 V N 1.088 121.032 119.914 0.051 0.000 2.358 370 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 370 V C 2.445 178.507 176.094 -0.052 0.000 1.047 370 V CA 1.583 63.887 62.300 0.008 0.000 1.035 370 V CB -0.771 31.048 31.823 -0.006 0.000 0.658 370 V HN 0.174 nan 8.190 nan 0.000 0.452 371 A N 0.041 122.817 122.820 -0.073 0.000 1.865 371 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 371 A C 2.506 179.998 177.584 -0.153 0.000 1.191 371 A CA 2.565 54.536 52.037 -0.111 0.000 0.623 371 A CB -0.898 18.090 19.000 -0.019 0.000 0.826 371 A HN 0.511 nan 8.150 nan 0.000 0.444 372 S N -0.264 115.306 115.700 -0.216 0.000 2.356 372 S HA -0.098 4.371 4.470 -0.000 0.000 0.223 372 S C 2.436 176.987 174.600 -0.082 0.000 1.032 372 S CA 2.098 60.181 58.200 -0.194 0.000 1.005 372 S CB -0.497 62.568 63.200 -0.224 0.000 0.867 372 S HN 0.857 nan 8.310 nan 0.000 0.449 373 K N 1.175 121.550 120.400 -0.042 0.000 2.057 373 K HA 0.058 4.378 4.320 -0.000 0.000 0.206 373 K C 2.209 178.809 176.600 -0.001 0.000 1.050 373 K CA 1.474 57.759 56.287 -0.003 0.000 0.935 373 K CB -1.468 31.046 32.500 0.023 0.000 0.715 373 K HN 0.268 nan 8.250 nan 0.000 0.439 374 V N 1.676 121.581 119.914 -0.016 0.000 2.287 374 V HA -0.367 3.753 4.120 -0.000 0.000 0.248 374 V C 2.774 178.856 176.094 -0.021 0.000 1.053 374 V CA 2.387 64.677 62.300 -0.017 0.000 1.027 374 V CB -0.551 31.214 31.823 -0.097 0.000 0.646 374 V HN 0.679 nan 8.190 nan 0.000 0.447 375 Q N -0.608 119.164 119.800 -0.047 0.000 2.119 375 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 375 Q C 2.481 178.473 176.000 -0.013 0.000 0.972 375 Q CA 1.906 57.687 55.803 -0.038 0.000 0.847 375 Q CB -0.247 28.453 28.738 -0.064 0.000 0.903 375 Q HN 0.865 nan 8.270 nan 0.000 0.433 376 E N 0.386 120.580 120.200 -0.010 0.000 2.072 376 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 376 E C 1.906 178.521 176.600 0.025 0.000 0.982 376 E CA 1.565 57.969 56.400 0.006 0.000 0.803 376 E CB -1.033 28.671 29.700 0.007 0.000 0.755 376 E HN 0.370 nan 8.360 nan 0.000 0.453 377 T N 0.709 115.281 114.554 0.029 0.000 2.701 377 T HA -0.014 4.336 4.350 -0.000 0.000 0.263 377 T C 2.139 176.887 174.700 0.080 0.000 1.040 377 T CA 1.149 63.274 62.100 0.042 0.000 1.147 377 T CB -0.317 68.569 68.868 0.030 0.000 0.865 377 T HN 0.259 nan 8.240 nan 0.000 0.426 378 L N 0.822 122.094 121.223 0.082 0.000 2.191 378 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 378 L C 2.787 179.734 176.870 0.128 0.000 1.103 378 L CA 1.083 56.007 54.840 0.140 0.000 0.769 378 L CB -0.247 41.868 42.059 0.093 0.000 0.908 378 L HN 0.204 nan 8.230 nan 0.000 0.438 379 Q N -0.347 119.494 119.800 0.069 0.000 2.020 379 Q HA -0.162 4.178 4.340 -0.000 0.000 0.198 379 Q C 2.220 178.249 176.000 0.048 0.000 0.974 379 Q CA 2.537 58.362 55.803 0.038 0.000 0.829 379 Q CB -0.518 28.229 28.738 0.016 0.000 0.894 379 Q HN 0.551 nan 8.270 nan 0.000 0.433 380 T N -1.377 113.216 114.554 0.066 0.000 2.881 380 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 380 T C 1.675 176.450 174.700 0.124 0.000 1.068 380 T CA 1.263 63.405 62.100 0.071 0.000 1.131 380 T CB -0.693 68.212 68.868 0.061 0.000 0.871 380 T HN 0.329 nan 8.240 nan 0.000 0.479 381 Y N 3.343 123.644 120.300 0.001 0.000 2.114 381 Y HA -0.052 4.498 4.550 -0.000 0.000 0.284 381 Y C 2.843 178.744 175.900 0.002 0.000 1.143 381 Y CA 1.737 59.840 58.100 0.003 0.000 1.135 381 Y CB -1.214 37.250 38.460 0.006 0.000 0.980 381 Y HN 0.319 nan 8.280 nan 0.000 0.499 382 K N 0.343 120.666 120.400 -0.128 0.000 2.032 382 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 382 K C 2.372 178.894 176.600 -0.130 0.000 1.048 382 K CA 2.256 58.416 56.287 -0.211 0.000 0.927 382 K CB -1.761 30.670 32.500 -0.115 0.000 0.712 382 K HN 0.661 nan 8.250 nan 0.000 0.441 383 S N 0.601 116.268 115.700 -0.055 0.000 2.402 383 S HA -0.011 4.459 4.470 -0.000 0.000 0.229 383 S C 2.055 176.639 174.600 -0.026 0.000 1.021 383 S CA 1.289 59.469 58.200 -0.034 0.000 0.974 383 S CB -0.255 62.938 63.200 -0.011 0.000 0.800 383 S HN 0.431 nan 8.310 nan 0.000 0.484 384 L N 0.999 122.216 121.223 -0.009 0.000 2.554 384 L HA 0.083 4.423 4.340 -0.000 0.000 0.226 384 L C 2.550 179.417 176.870 -0.005 0.000 1.137 384 L CA 0.151 54.998 54.840 0.013 0.000 0.863 384 L CB -0.397 41.699 42.059 0.061 0.000 0.985 384 L HN 0.240 nan 8.230 nan 0.000 0.451 385 Q N 0.484 120.245 119.800 -0.065 0.000 2.152 385 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 385 Q C 1.499 177.475 176.000 -0.039 0.000 0.985 385 Q CA 1.761 57.514 55.803 -0.084 0.000 0.863 385 Q CB -0.419 28.220 28.738 -0.164 0.000 0.904 385 Q HN 0.560 nan 8.270 nan 0.000 0.422 386 D N 0.879 121.259 120.400 -0.033 0.000 2.106 386 D HA -0.181 4.459 4.640 -0.000 0.000 0.191 386 D C 2.024 178.320 176.300 -0.007 0.000 0.997 386 D CA 1.587 55.575 54.000 -0.020 0.000 0.834 386 D CB -0.518 40.272 40.800 -0.017 0.000 0.956 386 D HN 0.552 nan 8.370 nan 0.000 0.448 387 I N -1.837 118.734 120.570 0.001 0.000 2.617 387 I HA -0.070 4.100 4.170 -0.000 0.000 0.256 387 I C 1.717 177.844 176.117 0.017 0.000 1.167 387 I CA 0.710 62.016 61.300 0.009 0.000 1.469 387 I CB -0.159 37.849 38.000 0.013 0.000 1.098 387 I HN -0.121 nan 8.210 nan 0.000 0.436 388 I N 2.317 122.901 120.570 0.023 0.000 2.493 388 I HA -0.149 4.021 4.170 -0.000 0.000 0.254 388 I C 2.767 178.900 176.117 0.025 0.000 1.160 388 I CA 1.457 62.779 61.300 0.037 0.000 1.445 388 I CB -1.160 36.878 38.000 0.064 0.000 1.086 388 I HN 0.384 nan 8.210 nan 0.000 0.433 389 A N 0.415 123.242 122.820 0.012 0.000 2.081 389 A HA 0.154 4.473 4.320 -0.000 0.000 0.214 389 A C 2.021 179.609 177.584 0.007 0.000 1.158 389 A CA 0.710 52.752 52.037 0.007 0.000 0.724 389 A CB -0.081 18.916 19.000 -0.003 0.000 0.826 389 A HN 0.455 nan 8.150 nan 0.000 0.463 390 I N -2.797 117.777 120.570 0.007 0.000 4.774 390 I HA 0.236 4.406 4.170 -0.000 0.000 0.330 390 I C 1.249 177.371 176.117 0.008 0.000 1.287 390 I CA 0.182 61.485 61.300 0.006 0.000 1.311 390 I CB 0.520 38.522 38.000 0.003 0.000 1.315 390 I HN 0.091 nan 8.210 nan 0.000 0.459 391 L N 1.686 122.915 121.223 0.010 0.000 2.728 391 L HA 0.453 4.793 4.340 -0.000 0.000 0.238 391 L C 0.720 177.599 176.870 0.015 0.000 1.143 391 L CA 0.122 54.969 54.840 0.011 0.000 0.937 391 L CB 0.034 42.100 42.059 0.011 0.000 1.225 391 L HN 0.414 nan 8.230 nan 0.000 0.507 392 G N 0.091 108.901 108.800 0.017 0.000 2.856 392 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.674 392 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.674 392 G C 0.460 175.376 174.900 0.026 0.000 1.519 392 G CA 0.128 45.240 45.100 0.020 0.000 0.940 392 G HN 0.158 nan 8.290 nan 0.000 0.564 393 M N 0.451 120.069 119.600 0.030 0.000 2.296 393 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 393 M C 1.987 178.302 176.300 0.026 0.000 1.064 393 M CA 2.701 58.021 55.300 0.034 0.000 1.109 393 M CB -1.087 31.534 32.600 0.035 0.000 1.396 393 M HN 0.705 nan 8.290 nan 0.000 0.430 394 D N 0.883 121.295 120.400 0.020 0.000 2.133 394 D HA -0.188 4.452 4.640 -0.000 0.000 0.192 394 D C 0.521 176.831 176.300 0.016 0.000 1.001 394 D CA 1.201 55.210 54.000 0.016 0.000 0.844 394 D CB -0.444 40.364 40.800 0.013 0.000 0.944 394 D HN 0.425 nan 8.370 nan 0.000 0.447 395 E N 0.735 120.945 120.200 0.017 0.000 2.368 395 E HA 0.251 4.601 4.350 -0.000 0.000 0.283 395 E C -0.078 176.533 176.600 0.019 0.000 1.476 395 E CA -0.085 56.324 56.400 0.016 0.000 1.786 395 E CB -0.091 29.617 29.700 0.014 0.000 1.518 395 E HN 0.360 nan 8.360 nan 0.000 0.456 396 L N 0.585 121.820 121.223 0.021 0.000 2.331 396 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 396 L C 0.860 177.740 176.870 0.017 0.000 1.022 396 L CA -1.013 53.841 54.840 0.023 0.000 0.812 396 L CB 1.484 43.560 42.059 0.029 0.000 1.257 396 L HN 0.042 nan 8.230 nan 0.000 0.435 397 S N 0.189 115.899 115.700 0.017 0.000 2.573 397 S HA 0.035 4.505 4.470 -0.000 0.000 0.277 397 S C 0.960 175.567 174.600 0.012 0.000 1.346 397 S CA -0.542 57.666 58.200 0.014 0.000 1.034 397 S CB 0.910 64.118 63.200 0.013 0.000 0.879 397 S HN 0.656 nan 8.310 nan 0.000 0.528 398 E N 0.933 121.139 120.200 0.010 0.000 2.136 398 E HA -0.265 4.085 4.350 -0.000 0.000 0.202 398 E C 1.848 178.453 176.600 0.008 0.000 1.019 398 E CA 1.811 58.216 56.400 0.008 0.000 0.819 398 E CB -0.240 29.465 29.700 0.007 0.000 0.739 398 E HN 0.851 nan 8.360 nan 0.000 0.458 399 Q N 0.088 119.894 119.800 0.009 0.000 2.269 399 Q HA -0.110 4.229 4.340 -0.000 0.000 0.201 399 Q C 1.155 177.160 176.000 0.009 0.000 0.946 399 Q CA 0.776 56.584 55.803 0.008 0.000 0.877 399 Q CB 0.210 28.954 28.738 0.010 0.000 0.963 399 Q HN 0.162 nan 8.270 nan 0.000 0.472 400 D N 0.957 121.365 120.400 0.013 0.000 2.178 400 D HA -0.174 4.466 4.640 -0.000 0.000 0.202 400 D C 1.622 177.930 176.300 0.013 0.000 0.974 400 D CA 1.344 55.355 54.000 0.019 0.000 0.841 400 D CB 0.024 40.840 40.800 0.028 0.000 0.953 400 D HN 0.390 nan 8.370 nan 0.000 0.478 401 K N 0.119 120.524 120.400 0.009 0.000 2.362 401 K HA -0.048 4.272 4.320 -0.000 0.000 0.200 401 K C 1.804 178.396 176.600 -0.013 0.000 1.046 401 K CA 0.546 56.834 56.287 0.002 0.000 0.952 401 K CB -0.078 32.427 32.500 0.007 0.000 0.753 401 K HN 0.122 nan 8.250 nan 0.000 0.466 402 L N 2.376 123.592 121.223 -0.011 0.000 2.162 402 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 402 L C 2.178 179.028 176.870 -0.035 0.000 1.086 402 L CA 1.778 56.606 54.840 -0.018 0.000 0.778 402 L CB -0.488 41.567 42.059 -0.008 0.000 0.928 402 L HN 0.360 nan 8.230 nan 0.000 0.446 403 T N -3.577 110.960 114.554 -0.028 0.000 2.777 403 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 403 T C 1.902 176.540 174.700 -0.103 0.000 1.040 403 T CA 1.371 63.447 62.100 -0.040 0.000 1.141 403 T CB -1.085 67.779 68.868 -0.006 0.000 0.868 403 T HN 0.121 nan 8.240 nan 0.000 0.444 404 V N 2.075 121.922 119.914 -0.111 0.000 2.332 404 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 404 V C 2.825 178.723 176.094 -0.327 0.000 1.055 404 V CA 2.136 64.275 62.300 -0.267 0.000 1.038 404 V CB -0.722 31.047 31.823 -0.090 0.000 0.651 404 V HN 0.601 nan 8.190 nan 0.000 0.450 405 E N 0.102 120.203 120.200 -0.166 0.000 2.110 405 E HA -0.239 4.110 4.350 -0.000 0.000 0.193 405 E C 2.441 178.954 176.600 -0.146 0.000 0.988 405 E CA 1.328 57.653 56.400 -0.126 0.000 0.804 405 E CB 0.003 29.668 29.700 -0.058 0.000 0.745 405 E HN 0.549 nan 8.360 nan 0.000 0.458 406 R N -0.176 120.240 120.500 -0.141 0.000 2.093 406 R HA 0.012 4.352 4.340 -0.000 0.000 0.224 406 R C 2.426 178.614 176.300 -0.186 0.000 1.101 406 R CA 0.881 56.892 56.100 -0.148 0.000 0.979 406 R CB -0.178 30.070 30.300 -0.088 0.000 0.877 406 R HN 0.122 nan 8.270 nan 0.000 0.441 407 A N 1.317 124.004 122.820 -0.222 0.000 1.902 407 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 407 A C 2.058 179.475 177.584 -0.278 0.000 1.181 407 A CA 1.159 53.051 52.037 -0.241 0.000 0.623 407 A CB -0.365 18.423 19.000 -0.353 0.000 0.818 407 A HN 0.187 nan 8.150 nan 0.000 0.443 408 R N -0.441 119.813 120.500 -0.408 0.000 2.105 408 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 408 R C 2.633 178.873 176.300 -0.100 0.000 1.135 408 R CA 2.044 58.012 56.100 -0.220 0.000 0.967 408 R CB -0.415 29.773 30.300 -0.186 0.000 0.861 408 R HN 0.590 nan 8.270 nan 0.000 0.442 409 K N 1.265 121.545 120.400 -0.200 0.000 1.973 409 K HA -0.112 4.208 4.320 -0.000 0.000 0.212 409 K C 1.896 178.301 176.600 -0.325 0.000 1.047 409 K CA 1.707 57.743 56.287 -0.418 0.000 0.937 409 K CB -1.135 30.860 32.500 -0.843 0.000 0.721 409 K HN 0.133 nan 8.250 nan 0.000 0.440 410 I N 1.155 121.607 120.570 -0.198 0.000 2.143 410 I HA -0.438 3.731 4.170 -0.000 0.000 0.245 410 I C 3.152 179.405 176.117 0.227 0.000 1.068 410 I CA 2.344 63.724 61.300 0.133 0.000 1.326 410 I CB -0.239 37.874 38.000 0.188 0.000 1.028 410 I HN 0.638 nan 8.210 nan 0.000 0.412 411 Q N 0.897 120.774 119.800 0.127 0.000 2.061 411 Q HA -0.271 4.068 4.340 -0.000 0.000 0.204 411 Q C 2.337 178.448 176.000 0.184 0.000 0.984 411 Q CA 1.925 57.821 55.803 0.155 0.000 0.846 411 Q CB 0.005 28.843 28.738 0.167 0.000 0.902 411 Q HN 0.363 nan 8.270 nan 0.000 0.421 412 R N -0.588 120.035 120.500 0.205 0.000 2.062 412 R HA -0.099 4.240 4.340 -0.000 0.000 0.231 412 R C 2.134 178.608 176.300 0.289 0.000 1.136 412 R CA 1.418 57.692 56.100 0.289 0.000 0.948 412 R CB -0.559 29.955 30.300 0.357 0.000 0.845 412 R HN 0.270 nan 8.270 nan 0.000 0.430 413 F N 1.355 121.361 119.950 0.092 0.000 2.184 413 F HA -0.175 4.351 4.527 -0.001 0.000 0.301 413 F C 1.561 177.474 175.800 0.189 0.000 1.076 413 F CA 1.352 59.389 58.000 0.062 0.000 1.295 413 F CB -0.358 38.493 39.000 -0.249 0.000 1.026 413 F HN -0.006 nan 8.300 nan 0.000 0.494 414 L N -0.301 121.110 121.223 0.314 0.000 2.376 414 L HA -0.080 4.260 4.340 -0.000 0.000 0.219 414 L C 1.486 178.382 176.870 0.044 0.000 1.133 414 L CA 0.546 55.484 54.840 0.164 0.000 0.816 414 L CB -0.749 41.368 42.059 0.098 0.000 0.933 414 L HN 0.134 nan 8.230 nan 0.000 0.449 415 S N -0.397 115.309 115.700 0.009 0.000 2.593 415 S HA 0.257 4.727 4.470 -0.000 0.000 0.269 415 S C -0.315 174.218 174.600 -0.112 0.000 1.334 415 S CA -0.441 57.690 58.200 -0.115 0.000 1.015 415 S CB 1.685 64.710 63.200 -0.292 0.000 0.912 415 S HN 0.281 nan 8.310 nan 0.000 0.541 416 Q N 0.935 120.626 119.800 -0.181 0.000 2.309 416 Q HA 0.487 4.827 4.340 -0.000 0.000 0.273 416 Q C -2.995 172.864 176.000 -0.235 0.000 1.040 416 Q CA -2.236 53.482 55.803 -0.141 0.000 0.834 416 Q CB 2.420 31.133 28.738 -0.041 0.000 1.345 416 Q HN 0.564 nan 8.270 nan 0.000 0.414 417 P HA 0.246 nan 4.420 nan 0.000 0.279 417 P C -1.137 176.246 177.300 0.139 0.000 1.239 417 P CA -0.169 62.902 63.100 -0.048 0.000 0.789 417 P CB 0.496 32.199 31.700 0.005 0.000 0.933 418 F N 1.029 120.989 119.950 0.017 0.000 2.422 418 F HA 0.416 4.942 4.527 -0.000 0.000 0.333 418 F C 1.645 177.448 175.800 0.006 0.000 1.095 418 F CA -1.427 56.579 58.000 0.009 0.000 1.038 418 F CB 0.866 39.878 39.000 0.020 0.000 1.156 418 F HN 0.390 nan 8.300 nan 0.000 0.483 419 A N 2.552 125.469 122.820 0.161 0.000 1.930 419 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 419 A C 2.113 179.725 177.584 0.045 0.000 1.175 419 A CA 2.098 54.172 52.037 0.061 0.000 0.627 419 A CB -1.019 17.983 19.000 0.002 0.000 0.815 419 A HN 0.644 nan 8.150 nan 0.000 0.443 420 V N -2.089 117.850 119.914 0.042 0.000 2.343 420 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 420 V C 2.546 178.710 176.094 0.117 0.000 1.051 420 V CA 1.802 64.132 62.300 0.049 0.000 1.036 420 V CB -1.673 30.169 31.823 0.033 0.000 0.654 420 V HN 0.497 nan 8.190 nan 0.000 0.451 421 A N -0.213 122.734 122.820 0.212 0.000 2.172 421 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 421 A C 2.131 179.825 177.584 0.182 0.000 1.154 421 A CA 1.475 53.690 52.037 0.297 0.000 0.701 421 A CB -0.726 18.433 19.000 0.264 0.000 0.789 421 A HN 0.711 nan 8.150 nan 0.000 0.465 422 E N -0.092 120.148 120.200 0.066 0.000 2.086 422 E HA -0.220 4.130 4.350 -0.000 0.000 0.200 422 E C 1.863 178.408 176.600 -0.091 0.000 1.012 422 E CA 2.088 58.487 56.400 -0.002 0.000 0.812 422 E CB -0.305 29.385 29.700 -0.018 0.000 0.743 422 E HN 0.657 nan 8.360 nan 0.000 0.453 423 V N -1.528 118.231 119.914 -0.259 0.000 3.330 423 V HA -0.136 3.984 4.120 -0.000 0.000 0.273 423 V C 1.248 176.976 176.094 -0.611 0.000 1.179 423 V CA 1.371 63.388 62.300 -0.471 0.000 1.174 423 V CB -0.742 30.708 31.823 -0.622 0.000 0.794 423 V HN 0.241 nan 8.190 nan 0.000 0.527 424 F N 0.817 120.759 119.950 -0.014 0.000 2.667 424 F HA 0.184 4.711 4.527 -0.000 0.000 0.288 424 F C 2.473 178.259 175.800 -0.023 0.000 1.086 424 F CA 0.727 58.715 58.000 -0.020 0.000 1.297 424 F CB -0.294 38.690 39.000 -0.026 0.000 1.059 424 F HN 0.221 nan 8.300 nan 0.000 0.624 425 T N -3.153 111.486 114.554 0.142 0.000 2.953 425 T HA 0.476 4.826 4.350 -0.000 0.000 0.247 425 T C 2.018 176.742 174.700 0.040 0.000 1.029 425 T CA 1.008 63.153 62.100 0.074 0.000 1.144 425 T CB 0.073 68.975 68.868 0.057 0.000 0.870 425 T HN 0.415 nan 8.240 nan 0.000 0.446 426 G N 1.713 110.526 108.800 0.021 0.000 2.420 426 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.221 426 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.221 426 G C 0.013 174.922 174.900 0.013 0.000 1.117 426 G CA -0.204 44.901 45.100 0.008 0.000 0.657 426 G HN 0.657 nan 8.290 nan 0.000 0.512 427 I N 5.052 125.637 120.570 0.025 0.000 2.741 427 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 427 I C -1.400 174.734 176.117 0.027 0.000 1.192 427 I CA -1.245 60.071 61.300 0.027 0.000 1.426 427 I CB 0.238 38.255 38.000 0.029 0.000 1.367 427 I HN 0.071 nan 8.210 nan 0.000 0.563 428 P HA 0.078 nan 4.420 nan 0.000 0.267 428 P C 0.225 177.549 177.300 0.039 0.000 1.209 428 P CA -0.105 63.010 63.100 0.024 0.000 0.763 428 P CB 0.473 32.183 31.700 0.016 0.000 0.816 429 G N 3.829 112.662 108.800 0.054 0.000 2.606 429 G HA2 0.348 4.308 3.960 -0.000 0.000 0.252 429 G HA3 0.348 4.308 3.960 -0.000 0.000 0.252 429 G C -0.444 174.498 174.900 0.070 0.000 1.206 429 G CA -0.511 44.643 45.100 0.090 0.000 0.861 429 G HN 0.399 nan 8.290 nan 0.000 0.561 430 K N 0.962 121.419 120.400 0.095 0.000 2.541 430 K HA 0.235 4.555 4.320 -0.000 0.000 0.250 430 K C -1.299 175.339 176.600 0.063 0.000 0.950 430 K CA -0.706 55.619 56.287 0.064 0.000 0.805 430 K CB 2.749 35.285 32.500 0.059 0.000 1.166 430 K HN 0.375 nan 8.250 nan 0.000 0.430 431 L N 3.710 124.945 121.223 0.020 0.000 2.334 431 L HA 0.168 4.508 4.340 -0.000 0.000 0.286 431 L C -0.649 176.222 176.870 0.002 0.000 1.108 431 L CA -0.710 54.127 54.840 -0.005 0.000 0.875 431 L CB 0.500 42.536 42.059 -0.039 0.000 1.246 431 L HN 0.286 nan 8.230 nan 0.000 0.439 432 V N 5.821 125.745 119.914 0.017 0.000 2.405 432 V HA 0.255 4.375 4.120 -0.000 0.000 0.264 432 V C 0.807 176.903 176.094 0.004 0.000 1.048 432 V CA -0.565 61.744 62.300 0.015 0.000 0.966 432 V CB 0.581 32.418 31.823 0.023 0.000 1.015 432 V HN 0.667 nan 8.190 nan 0.000 0.477 433 R N 2.604 123.105 120.500 0.001 0.000 2.590 433 R HA 0.092 4.432 4.340 -0.000 0.000 0.274 433 R C 1.244 177.551 176.300 0.013 0.000 1.061 433 R CA -0.305 55.795 56.100 -0.000 0.000 1.081 433 R CB 0.740 31.036 30.300 -0.006 0.000 0.984 433 R HN 0.679 nan 8.270 nan 0.000 0.448 434 L N 4.225 125.462 121.223 0.023 0.000 2.013 434 L HA -0.253 4.086 4.340 -0.000 0.000 0.212 434 L C 1.904 178.791 176.870 0.029 0.000 1.073 434 L CA 1.951 56.812 54.840 0.035 0.000 0.753 434 L CB -0.201 41.903 42.059 0.075 0.000 0.890 434 L HN 0.489 nan 8.230 nan 0.000 0.432 435 K N 0.049 120.472 120.400 0.037 0.000 2.113 435 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 435 K C 1.772 178.391 176.600 0.032 0.000 1.047 435 K CA 1.857 58.166 56.287 0.036 0.000 0.928 435 K CB -0.701 31.820 32.500 0.036 0.000 0.716 435 K HN 0.580 nan 8.250 nan 0.000 0.446 436 D N -0.058 120.361 120.400 0.031 0.000 2.149 436 D HA -0.070 4.569 4.640 -0.000 0.000 0.201 436 D C 1.841 178.171 176.300 0.051 0.000 0.972 436 D CA 1.106 55.130 54.000 0.040 0.000 0.835 436 D CB -0.390 40.431 40.800 0.034 0.000 0.966 436 D HN 0.190 nan 8.370 nan 0.000 0.476 437 T N 1.401 115.975 114.554 0.035 0.000 2.674 437 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 437 T C 2.414 177.169 174.700 0.092 0.000 1.039 437 T CA 1.114 63.245 62.100 0.052 0.000 1.150 437 T CB -0.551 68.306 68.868 -0.019 0.000 0.864 437 T HN -0.021 nan 8.240 nan 0.000 0.427 438 V N 2.166 122.069 119.914 -0.019 0.000 2.233 438 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 438 V C 3.011 179.144 176.094 0.065 0.000 1.050 438 V CA 1.839 64.105 62.300 -0.056 0.000 1.010 438 V CB -1.475 30.277 31.823 -0.120 0.000 0.637 438 V HN 0.566 nan 8.190 nan 0.000 0.444 439 A N -0.130 122.731 122.820 0.067 0.000 1.883 439 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 439 A C 2.481 180.137 177.584 0.120 0.000 1.186 439 A CA 2.361 54.451 52.037 0.089 0.000 0.624 439 A CB -0.899 18.145 19.000 0.073 0.000 0.822 439 A HN 0.512 nan 8.150 nan 0.000 0.444 440 S N -1.043 114.732 115.700 0.125 0.000 2.383 440 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 440 S C 1.563 176.262 174.600 0.166 0.000 1.030 440 S CA 1.695 59.980 58.200 0.141 0.000 1.002 440 S CB -0.477 62.829 63.200 0.177 0.000 0.829 440 S HN 0.559 nan 8.310 nan 0.000 0.467 441 F N 1.275 121.299 119.950 0.123 0.000 2.387 441 F HA 0.176 4.702 4.527 -0.000 0.000 0.294 441 F C 2.205 178.051 175.800 0.075 0.000 1.093 441 F CA 0.594 58.660 58.000 0.109 0.000 1.420 441 F CB -0.122 38.853 39.000 -0.042 0.000 1.086 441 F HN 0.043 nan 8.300 nan 0.000 0.531 442 K N 0.836 121.366 120.400 0.217 0.000 2.063 442 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 442 K C 2.233 178.919 176.600 0.143 0.000 1.048 442 K CA 1.390 57.764 56.287 0.144 0.000 0.928 442 K CB -0.291 32.273 32.500 0.108 0.000 0.713 442 K HN 0.181 nan 8.250 nan 0.000 0.442 443 A N 0.580 123.498 122.820 0.162 0.000 1.908 443 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 443 A C 2.231 179.957 177.584 0.237 0.000 1.181 443 A CA 1.773 53.942 52.037 0.221 0.000 0.627 443 A CB -0.600 18.585 19.000 0.309 0.000 0.818 443 A HN 0.195 nan 8.150 nan 0.000 0.445 444 V N -0.219 119.787 119.914 0.155 0.000 2.379 444 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 444 V C 2.407 178.547 176.094 0.078 0.000 1.044 444 V CA 1.599 63.950 62.300 0.086 0.000 1.036 444 V CB -0.644 31.126 31.823 -0.088 0.000 0.664 444 V HN 0.557 nan 8.190 nan 0.000 0.453 445 L N -0.305 120.981 121.223 0.104 0.000 2.456 445 L HA -0.131 4.209 4.340 -0.000 0.000 0.224 445 L C 2.247 179.158 176.870 0.068 0.000 1.148 445 L CA 1.204 56.095 54.840 0.085 0.000 0.825 445 L CB -0.260 41.860 42.059 0.101 0.000 0.937 445 L HN 0.427 nan 8.230 nan 0.000 0.450 446 E N -0.763 119.484 120.200 0.079 0.000 2.415 446 E HA 0.087 4.437 4.350 -0.000 0.000 0.197 446 E C 1.205 177.834 176.600 0.048 0.000 1.007 446 E CA 0.500 56.937 56.400 0.060 0.000 0.890 446 E CB 0.453 30.192 29.700 0.065 0.000 0.891 446 E HN 0.401 nan 8.360 nan 0.000 0.496 447 G N 1.802 110.640 108.800 0.062 0.000 2.142 447 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.225 447 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.225 447 G C 0.687 175.604 174.900 0.028 0.000 1.015 447 G CA 0.414 45.542 45.100 0.047 0.000 0.716 447 G HN 0.172 nan 8.290 nan 0.000 0.508 448 K N -1.136 119.285 120.400 0.035 0.000 2.288 448 K HA 0.093 4.412 4.320 -0.000 0.000 0.201 448 K C 0.586 176.979 176.600 -0.344 0.000 1.048 448 K CA 0.962 57.154 56.287 -0.158 0.000 0.956 448 K CB 0.076 32.449 32.500 -0.213 0.000 0.746 448 K HN 0.606 nan 8.250 nan 0.000 0.461 449 Y N 0.057 120.374 120.300 0.028 0.000 2.669 449 Y HA 0.130 4.680 4.550 -0.001 0.000 0.302 449 Y C 0.521 176.479 175.900 0.097 0.000 1.000 449 Y CA -0.689 57.445 58.100 0.057 0.000 1.222 449 Y CB 0.477 38.993 38.460 0.093 0.000 1.209 449 Y HN -0.052 nan 8.280 nan 0.000 0.571 450 D N 0.716 121.193 120.400 0.129 0.000 2.144 450 D HA -0.162 4.477 4.640 -0.000 0.000 0.200 450 D C 1.595 177.950 176.300 0.092 0.000 0.978 450 D CA 1.668 55.723 54.000 0.092 0.000 0.833 450 D CB -0.022 40.800 40.800 0.036 0.000 0.961 450 D HN 0.597 nan 8.370 nan 0.000 0.470 451 N N 0.714 119.452 118.700 0.062 0.000 2.142 451 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 451 N C 0.771 176.312 175.510 0.051 0.000 1.023 451 N CA 0.383 53.456 53.050 0.039 0.000 0.852 451 N CB -0.421 38.068 38.487 0.004 0.000 0.998 451 N HN 0.039 nan 8.380 nan 0.000 0.424 452 I N 3.032 123.644 120.570 0.071 0.000 2.906 452 I HA -0.018 4.152 4.170 -0.000 0.000 0.301 452 I C -1.602 174.522 176.117 0.011 0.000 1.221 452 I CA -1.752 59.544 61.300 -0.006 0.000 1.435 452 I CB -0.789 37.151 38.000 -0.100 0.000 1.345 452 I HN 0.217 nan 8.210 nan 0.000 0.558 453 P HA -0.014 nan 4.420 nan 0.000 0.270 453 P C 0.551 177.894 177.300 0.071 0.000 1.216 453 P CA 0.018 63.127 63.100 0.015 0.000 0.788 453 P CB 0.848 32.542 31.700 -0.011 0.000 0.883 454 E N -0.123 120.168 120.200 0.151 0.000 2.086 454 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 454 E C 1.785 178.525 176.600 0.232 0.000 0.975 454 E CA 0.729 57.282 56.400 0.255 0.000 0.813 454 E CB -0.370 29.433 29.700 0.171 0.000 0.768 454 E HN 0.597 nan 8.360 nan 0.000 0.457 455 H N 0.514 119.618 119.070 0.057 0.000 2.518 455 H HA -0.044 4.511 4.556 -0.000 0.000 0.292 455 H C 1.684 177.044 175.328 0.053 0.000 1.068 455 H CA 1.097 57.165 56.048 0.034 0.000 1.275 455 H CB 0.117 29.865 29.762 -0.023 0.000 1.375 455 H HN 0.186 nan 8.280 nan 0.000 0.563 456 A N -0.025 122.787 122.820 -0.014 0.000 1.841 456 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 456 A C 1.998 179.452 177.584 -0.217 0.000 1.195 456 A CA 1.367 53.285 52.037 -0.199 0.000 0.611 456 A CB -1.116 17.622 19.000 -0.438 0.000 0.835 456 A HN 0.458 nan 8.150 nan 0.000 0.443 457 F N -1.617 118.273 119.950 -0.100 0.000 2.287 457 F HA -0.124 4.404 4.527 0.000 0.000 0.301 457 F C 1.129 176.960 175.800 0.051 0.000 1.069 457 F CA 0.749 58.660 58.000 -0.148 0.000 1.372 457 F CB -0.651 38.217 39.000 -0.220 0.000 1.056 457 F HN 0.309 nan 8.300 nan 0.000 0.523 458 Y N 1.575 121.918 120.300 0.071 0.000 2.465 458 Y HA 0.130 4.680 4.550 -0.000 0.000 0.331 458 Y C 0.760 176.644 175.900 -0.026 0.000 1.102 458 Y CA -1.080 57.020 58.100 0.000 0.000 1.358 458 Y CB 0.201 38.562 38.460 -0.165 0.000 1.213 458 Y HN 0.017 nan 8.280 nan 0.000 0.525 459 M N 5.242 124.594 119.600 -0.414 0.000 2.302 459 M HA -0.179 4.301 4.480 -0.000 0.000 0.200 459 M C -1.141 175.123 176.300 -0.060 0.000 0.366 459 M CA 1.008 56.146 55.300 -0.270 0.000 0.440 459 M CB -2.768 29.672 32.600 -0.266 0.000 1.475 459 M HN 0.406 nan 8.290 nan 0.000 0.905 460 V N -3.811 116.108 119.914 0.009 0.000 3.126 460 V HA 1.068 5.188 4.120 -0.000 0.000 0.314 460 V C 0.870 177.024 176.094 0.099 0.000 1.138 460 V CA -0.219 62.111 62.300 0.050 0.000 1.034 460 V CB 1.482 33.330 31.823 0.042 0.000 1.075 460 V HN 0.351 nan 8.190 nan 0.000 0.442 461 G N 0.377 109.231 108.800 0.091 0.000 3.197 461 G HA2 0.506 4.465 3.960 -0.000 0.000 0.167 461 G HA3 0.506 4.465 3.960 -0.000 0.000 0.167 461 G C 0.595 175.581 174.900 0.144 0.000 1.914 461 G CA 0.029 45.185 45.100 0.092 0.000 0.956 461 G HN 1.359 nan 8.290 nan 0.000 0.480 462 G N -0.956 107.911 108.800 0.110 0.000 2.570 462 G HA2 0.312 4.272 3.960 -0.000 0.000 0.276 462 G HA3 0.312 4.272 3.960 -0.000 0.000 0.276 462 G C 0.948 175.957 174.900 0.182 0.000 1.346 462 G CA 0.063 45.245 45.100 0.137 0.000 1.034 462 G HN 0.391 nan 8.290 nan 0.000 0.512 463 I N -0.634 120.017 120.570 0.135 0.000 2.286 463 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 463 I C 2.538 178.584 176.117 -0.118 0.000 1.115 463 I CA 1.667 62.942 61.300 -0.040 0.000 1.392 463 I CB -0.229 37.692 38.000 -0.132 0.000 1.065 463 I HN 0.703 nan 8.210 nan 0.000 0.418 464 E N 0.052 120.230 120.200 -0.036 0.000 2.110 464 E HA -0.230 4.119 4.350 -0.000 0.000 0.193 464 E C 1.547 178.121 176.600 -0.043 0.000 0.988 464 E CA 1.321 57.704 56.400 -0.029 0.000 0.804 464 E CB -0.147 29.553 29.700 0.001 0.000 0.745 464 E HN 0.559 nan 8.360 nan 0.000 0.458 465 D N -0.040 120.343 120.400 -0.029 0.000 2.269 465 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 465 D C 1.939 178.189 176.300 -0.084 0.000 0.963 465 D CA 0.497 54.479 54.000 -0.031 0.000 0.864 465 D CB 0.225 41.030 40.800 0.007 0.000 0.936 465 D HN 0.069 nan 8.370 nan 0.000 0.505 466 V N 0.542 120.359 119.914 -0.161 0.000 2.323 466 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 466 V C 2.726 178.662 176.094 -0.264 0.000 1.041 466 V CA 0.832 62.938 62.300 -0.323 0.000 1.025 466 V CB -0.658 30.801 31.823 -0.606 0.000 0.656 466 V HN 0.026 nan 8.190 nan 0.000 0.451 467 V N 0.726 120.528 119.914 -0.186 0.000 2.252 467 V HA -0.322 3.797 4.120 -0.000 0.000 0.249 467 V C 2.818 178.871 176.094 -0.069 0.000 1.056 467 V CA 2.362 64.610 62.300 -0.087 0.000 1.022 467 V CB -1.295 30.519 31.823 -0.014 0.000 0.641 467 V HN 0.559 nan 8.190 nan 0.000 0.445 468 A N -0.625 122.160 122.820 -0.059 0.000 1.883 468 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 468 A C 2.382 179.939 177.584 -0.046 0.000 1.186 468 A CA 2.355 54.368 52.037 -0.040 0.000 0.624 468 A CB -0.545 18.439 19.000 -0.027 0.000 0.822 468 A HN 0.506 nan 8.150 nan 0.000 0.444 469 K N -0.577 119.784 120.400 -0.065 0.000 2.057 469 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 469 K C 2.191 178.753 176.600 -0.062 0.000 1.050 469 K CA 1.100 57.355 56.287 -0.055 0.000 0.935 469 K CB -0.303 32.159 32.500 -0.063 0.000 0.715 469 K HN 0.384 nan 8.250 nan 0.000 0.439 470 A N 1.150 123.904 122.820 -0.110 0.000 1.972 470 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 470 A C 1.669 179.218 177.584 -0.059 0.000 1.169 470 A CA 1.607 53.581 52.037 -0.105 0.000 0.635 470 A CB -0.312 18.594 19.000 -0.156 0.000 0.810 470 A HN 0.440 nan 8.150 nan 0.000 0.446 471 E N -0.691 119.480 120.200 -0.048 0.000 2.371 471 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 471 E C 1.690 178.277 176.600 -0.022 0.000 1.012 471 E CA 0.539 56.920 56.400 -0.031 0.000 0.860 471 E CB 0.050 29.735 29.700 -0.025 0.000 0.811 471 E HN 0.560 nan 8.360 nan 0.000 0.502 472 K N 0.238 120.626 120.400 -0.020 0.000 2.366 472 K HA 0.038 4.358 4.320 -0.000 0.000 0.198 472 K C 1.737 178.332 176.600 -0.009 0.000 1.044 472 K CA 0.305 56.586 56.287 -0.010 0.000 0.973 472 K CB 0.225 32.723 32.500 -0.004 0.000 0.767 472 K HN 0.105 nan 8.250 nan 0.000 0.475 473 L N 0.181 121.396 121.223 -0.013 0.000 2.395 473 L HA -0.065 4.275 4.340 -0.000 0.000 0.218 473 L C 2.187 179.046 176.870 -0.018 0.000 1.130 473 L CA 0.366 55.198 54.840 -0.013 0.000 0.826 473 L CB -0.128 41.924 42.059 -0.012 0.000 0.941 473 L HN 0.180 nan 8.230 nan 0.000 0.451 474 A N -0.098 122.711 122.820 -0.018 0.000 1.898 474 A HA 0.198 4.518 4.320 -0.000 0.000 0.214 474 A C 1.531 179.106 177.584 -0.015 0.000 1.183 474 A CA 0.816 52.842 52.037 -0.017 0.000 0.622 474 A CB -0.371 18.619 19.000 -0.017 0.000 0.824 474 A HN 0.319 nan 8.150 nan 0.000 0.444 475 A N 0.000 122.812 122.820 -0.013 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 475 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486