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 2vro_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMTELLKNHV AGQWIAGTGA GITLTDPVTG VALVRVSSEG LDLARAFSFA DATA SEQUENCE REDGGAALRA LTYAQRAARL ADIVKLLQAK RGDYYAIATA NSGTTRNDSA DATA SEQUENCE VDIDGGIFTL SYYAKLGASL GEVHALRDGS AESLSKDRSF SAQHVLSPTR DATA SEQUENCE GVALFINAFN FPSWGLWEKA APALLSGVPV IVKPATATAW LTQRMVADVV DATA SEQUENCE DAGILPPGAL SIICGSSAGL LDQIRSFDVV SFTGSADTAA TLRAHPAFVQ DATA SEQUENCE RGARLNVEAD SLNSAILCAD ATPDTPAFDL FIKEVVREMT VKSGQKCTAI DATA SEQUENCE RRAFVPEAAL EPVLEALKAK LAKITVGNPR NDAVRMGSLV SREQYENVLA DATA SEQUENCE GIAALREEAV LAYDSSAVPL IDADANIAAC VAPHLFVVND PDNATLLHDV DATA SEQUENCE EVFGPVASVA PYRVTTDTXX LPEAHAVALA RRGQGSLVAS IYSNDDAHLG DATA SEQUENCE RLALELADSH GRVHAISPSV QHSQTGHGNV MPMSLHGGPG RAGGGEELGG DATA SEQUENCE LRALAFYHRR SAIQAASAAI GTL 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.316 175.328 -0.020 0.000 0.993 0 H CA 0.000 56.037 56.048 -0.019 0.000 1.023 0 H CB 0.000 29.754 29.762 -0.014 0.000 1.292 1 M N 2.793 122.238 119.600 -0.258 0.000 2.619 1 M HA 0.258 4.781 4.480 0.073 0.000 0.297 1 M C 0.532 176.746 176.300 -0.142 0.000 1.229 1 M CA -1.042 54.124 55.300 -0.223 0.000 0.860 1 M CB 2.423 34.821 32.600 -0.338 0.000 1.741 1 M HN 0.697 nan 8.290 nan 0.000 0.462 2 T N -1.510 112.971 114.554 -0.122 0.000 2.855 2 T HA 0.068 4.461 4.350 0.073 0.000 0.314 2 T C 0.138 174.747 174.700 -0.150 0.000 1.077 2 T CA -0.483 61.537 62.100 -0.134 0.000 1.095 2 T CB 0.537 69.311 68.868 -0.157 0.000 0.987 2 T HN 0.718 nan 8.240 nan 0.000 0.546 3 E N 0.415 120.515 120.200 -0.166 0.000 2.480 3 E HA 0.081 4.474 4.350 0.073 0.000 0.258 3 E C -0.648 175.857 176.600 -0.159 0.000 0.984 3 E CA -0.614 55.694 56.400 -0.152 0.000 0.930 3 E CB 0.250 29.858 29.700 -0.154 0.000 0.936 3 E HN 0.549 nan 8.360 nan 0.000 0.466 4 L N 6.811 127.968 121.223 -0.109 0.000 2.283 4 L HA 0.226 4.609 4.340 0.073 0.000 0.287 4 L C -0.734 176.103 176.870 -0.055 0.000 1.073 4 L CA -0.024 54.768 54.840 -0.081 0.000 0.822 4 L CB 0.511 42.538 42.059 -0.055 0.000 1.186 4 L HN 0.539 nan 8.230 nan 0.000 0.436 5 L N 5.491 126.684 121.223 -0.050 0.000 2.453 5 L HA 0.175 4.559 4.340 0.073 0.000 0.272 5 L C 0.625 177.541 176.870 0.077 0.000 1.182 5 L CA -0.028 54.817 54.840 0.008 0.000 0.858 5 L CB 0.053 42.136 42.059 0.039 0.000 1.120 5 L HN 0.598 nan 8.230 nan 0.000 0.474 6 K N 2.781 123.254 120.400 0.122 0.000 2.144 6 K HA 0.248 4.612 4.320 0.073 0.000 0.270 6 K C -0.325 176.538 176.600 0.438 0.000 1.005 6 K CA -0.765 55.679 56.287 0.262 0.000 0.932 6 K CB 0.836 33.532 32.500 0.326 0.000 1.021 6 K HN 0.521 nan 8.250 nan 0.000 0.462 7 N N 1.506 120.398 118.700 0.321 0.000 2.513 7 N HA 0.023 4.807 4.740 0.073 0.000 0.274 7 N C -0.633 174.960 175.510 0.139 0.000 1.189 7 N CA -0.083 53.103 53.050 0.226 0.000 0.975 7 N CB 0.696 39.235 38.487 0.088 0.000 1.157 7 N HN 0.475 nan 8.380 nan 0.000 0.465 8 H N 0.411 119.317 119.070 -0.274 0.000 2.718 8 H HA 0.443 5.042 4.556 0.072 0.000 0.295 8 H C -1.117 173.958 175.328 -0.423 0.000 1.051 8 H CA -0.683 54.925 56.048 -0.733 0.000 1.260 8 H CB 0.157 29.112 29.762 -1.345 0.000 1.403 8 H HN 0.268 nan 8.280 nan 0.000 0.488 9 V N 1.682 121.191 119.914 -0.674 0.000 2.841 9 V HA 0.752 4.915 4.120 0.073 0.000 0.310 9 V C 0.640 176.381 176.094 -0.589 0.000 1.090 9 V CA -0.690 61.325 62.300 -0.474 0.000 0.930 9 V CB 1.160 32.834 31.823 -0.247 0.000 1.014 9 V HN 1.036 nan 8.190 nan 0.000 0.425 10 A N 2.300 124.809 122.820 -0.518 0.000 2.783 10 A HA 0.153 4.517 4.320 0.073 0.000 0.292 10 A C 2.057 178.808 177.584 -1.387 0.000 1.495 10 A CA 1.634 53.143 52.037 -0.880 0.000 0.787 10 A CB -1.668 16.989 19.000 -0.572 0.000 1.017 10 A HN 3.211 nan 8.150 nan 0.000 0.516 11 G N -3.081 105.113 108.800 -1.010 0.000 2.162 11 G HA2 -0.178 3.825 3.960 0.073 0.000 0.260 11 G HA3 -0.178 3.825 3.960 0.073 0.000 0.260 11 G C -0.120 174.413 174.900 -0.612 0.000 0.976 11 G CA 1.051 45.740 45.100 -0.684 0.000 0.655 11 G HN 1.473 nan 8.290 nan 0.000 0.533 12 Q N -1.587 117.716 119.800 -0.829 0.000 2.451 12 Q HA 0.533 4.916 4.340 0.073 0.000 0.281 12 Q C -0.828 174.887 176.000 -0.475 0.000 1.099 12 Q CA -0.871 54.667 55.803 -0.442 0.000 0.806 12 Q CB 1.138 29.726 28.738 -0.250 0.000 1.419 12 Q HN 0.335 nan 8.270 nan 0.000 0.427 13 W N 2.274 123.611 121.300 0.061 0.000 2.358 13 W HA 0.408 5.112 4.660 0.074 0.000 0.307 13 W C -0.115 176.413 176.519 0.014 0.000 1.203 13 W CA -0.255 57.150 57.345 0.100 0.000 1.279 13 W CB 0.663 30.198 29.460 0.127 0.000 1.264 13 W HN 0.216 nan 8.180 nan 0.000 0.474 14 I N 3.922 124.617 120.570 0.208 0.000 2.478 14 I HA 0.355 4.569 4.170 0.073 0.000 0.287 14 I C 0.288 176.477 176.117 0.121 0.000 1.042 14 I CA -1.374 59.991 61.300 0.108 0.000 1.067 14 I CB 0.661 38.667 38.000 0.011 0.000 1.233 14 I HN 0.427 nan 8.210 nan 0.000 0.431 15 A N 4.645 127.524 122.820 0.098 0.000 2.425 15 A HA 0.632 4.996 4.320 0.073 0.000 0.249 15 A C 0.776 178.389 177.584 0.048 0.000 1.084 15 A CA -0.019 52.062 52.037 0.073 0.000 0.781 15 A CB 0.255 19.284 19.000 0.049 0.000 1.019 15 A HN 0.897 nan 8.150 nan 0.000 0.490 16 G N 1.026 109.853 108.800 0.044 0.000 2.594 16 G HA2 0.448 4.452 3.960 0.073 0.000 0.243 16 G HA3 0.448 4.452 3.960 0.073 0.000 0.243 16 G C 0.515 175.426 174.900 0.019 0.000 1.229 16 G CA 0.442 45.560 45.100 0.030 0.000 0.843 16 G HN 1.157 nan 8.290 nan 0.000 0.578 17 T N -1.529 113.033 114.554 0.014 0.000 2.824 17 T HA 0.707 5.100 4.350 0.073 0.000 0.277 17 T C 0.937 175.640 174.700 0.004 0.000 0.975 17 T CA 0.493 62.598 62.100 0.008 0.000 0.966 17 T CB 1.098 69.970 68.868 0.008 0.000 1.054 17 T HN 2.378 nan 8.240 nan 0.000 0.533 18 G N -0.107 108.694 108.800 0.001 0.000 2.725 18 G HA2 0.204 4.208 3.960 0.073 0.000 0.220 18 G HA3 0.204 4.208 3.960 0.073 0.000 0.220 18 G C 0.742 175.636 174.900 -0.010 0.000 1.357 18 G CA -0.097 45.001 45.100 -0.002 0.000 0.866 18 G HN 1.599 nan 8.290 nan 0.000 0.548 19 A N -0.376 122.437 122.820 -0.012 0.000 2.119 19 A HA 0.600 4.964 4.320 0.073 0.000 0.216 19 A C 2.495 180.063 177.584 -0.026 0.000 1.152 19 A CA 2.074 54.098 52.037 -0.022 0.000 0.708 19 A CB -0.877 18.113 19.000 -0.018 0.000 0.805 19 A HN 2.988 nan 8.150 nan 0.000 0.460 20 G N -1.162 107.629 108.800 -0.016 0.000 2.855 20 G HA2 -0.167 3.837 3.960 0.073 0.000 0.352 20 G HA3 -0.167 3.837 3.960 0.073 0.000 0.352 20 G C -0.383 174.507 174.900 -0.015 0.000 1.415 20 G CA -0.110 44.982 45.100 -0.014 0.000 0.871 20 G HN 0.691 nan 8.290 nan 0.000 0.543 21 I N 0.573 121.136 120.570 -0.012 0.000 2.354 21 I HA 0.380 4.594 4.170 0.073 0.000 0.292 21 I C 0.711 176.812 176.117 -0.026 0.000 0.989 21 I CA -0.623 60.671 61.300 -0.011 0.000 1.188 21 I CB 1.956 39.959 38.000 0.006 0.000 1.342 21 I HN 0.483 nan 8.210 nan 0.000 0.457 22 T N 6.974 121.509 114.554 -0.032 0.000 2.817 22 T HA 0.425 4.818 4.350 0.073 0.000 0.293 22 T C -0.141 174.534 174.700 -0.042 0.000 0.964 22 T CA -0.362 61.707 62.100 -0.051 0.000 1.085 22 T CB 0.563 69.401 68.868 -0.050 0.000 0.921 22 T HN 0.113 nan 8.240 nan 0.000 0.502 23 L N 3.993 125.180 121.223 -0.060 0.000 2.312 23 L HA 0.558 4.941 4.340 0.073 0.000 0.281 23 L C 0.989 177.839 176.870 -0.034 0.000 1.070 23 L CA -0.174 54.647 54.840 -0.031 0.000 0.805 23 L CB 1.278 43.329 42.059 -0.014 0.000 1.174 23 L HN 0.808 nan 8.230 nan 0.000 0.434 24 T N -2.320 112.231 114.554 -0.005 0.000 2.907 24 T HA 0.379 4.773 4.350 0.073 0.000 0.292 24 T C -0.608 174.108 174.700 0.026 0.000 1.043 24 T CA -0.960 61.139 62.100 -0.001 0.000 1.003 24 T CB 1.700 70.559 68.868 -0.014 0.000 1.084 24 T HN 0.462 nan 8.240 nan 0.000 0.483 25 D N 2.748 123.167 120.400 0.032 0.000 2.358 25 D HA 0.170 4.854 4.640 0.073 0.000 0.258 25 D C -1.266 175.041 176.300 0.011 0.000 1.223 25 D CA -1.906 52.119 54.000 0.042 0.000 0.886 25 D CB 1.572 42.401 40.800 0.048 0.000 1.120 25 D HN 0.305 nan 8.370 nan 0.000 0.482 26 P HA -0.049 nan 4.420 nan 0.000 0.241 26 P C 1.214 178.496 177.300 -0.029 0.000 1.191 26 P CA 0.180 63.268 63.100 -0.020 0.000 0.771 26 P CB 0.696 32.384 31.700 -0.019 0.000 0.929 27 V N 0.428 120.334 119.914 -0.012 0.000 2.521 27 V HA -0.065 4.099 4.120 0.073 0.000 0.239 27 V C 2.662 178.742 176.094 -0.023 0.000 1.053 27 V CA 2.411 64.700 62.300 -0.018 0.000 1.073 27 V CB -1.303 30.520 31.823 -0.000 0.000 0.746 27 V HN 0.240 nan 8.190 nan 0.000 0.476 28 T N -2.882 111.667 114.554 -0.008 0.000 3.037 28 T HA 0.279 4.673 4.350 0.073 0.000 0.252 28 T C 1.610 176.303 174.700 -0.013 0.000 1.073 28 T CA 1.102 63.198 62.100 -0.007 0.000 1.091 28 T CB 0.714 69.587 68.868 0.009 0.000 0.935 28 T HN 0.985 nan 8.240 nan 0.000 0.488 29 G N 0.975 109.766 108.800 -0.015 0.000 2.179 29 G HA2 -0.238 3.765 3.960 0.073 0.000 0.260 29 G HA3 -0.238 3.765 3.960 0.073 0.000 0.260 29 G C 0.117 175.010 174.900 -0.011 0.000 0.977 29 G CA 0.006 45.094 45.100 -0.020 0.000 0.641 29 G HN 0.717 nan 8.290 nan 0.000 0.533 30 V N 1.479 121.393 119.914 -0.000 0.000 2.655 30 V HA 0.477 4.640 4.120 0.073 0.000 0.300 30 V C 1.250 177.340 176.094 -0.007 0.000 1.044 30 V CA 0.214 62.516 62.300 0.002 0.000 1.095 30 V CB 1.139 32.972 31.823 0.018 0.000 0.952 30 V HN 1.178 nan 8.190 nan 0.000 0.485 31 A N 5.638 128.444 122.820 -0.022 0.000 2.454 31 A HA 0.507 4.871 4.320 0.073 0.000 0.260 31 A C 0.702 178.240 177.584 -0.076 0.000 1.106 31 A CA -0.160 51.848 52.037 -0.048 0.000 0.780 31 A CB 0.156 19.125 19.000 -0.052 0.000 1.044 31 A HN 0.882 nan 8.150 nan 0.000 0.498 32 L N 2.629 123.776 121.223 -0.125 0.000 2.356 32 L HA 0.289 4.673 4.340 0.073 0.000 0.193 32 L C 0.405 176.997 176.870 -0.464 0.000 1.087 32 L CA 0.770 55.465 54.840 -0.241 0.000 0.817 32 L CB -0.215 41.737 42.059 -0.179 0.000 1.035 32 L HN 0.720 nan 8.230 nan 0.000 0.482 33 V N -3.245 116.396 119.914 -0.455 0.000 3.253 33 V HA 0.536 4.700 4.120 0.073 0.000 0.300 33 V C -1.419 174.511 176.094 -0.274 0.000 1.398 33 V CA -1.139 60.873 62.300 -0.480 0.000 1.067 33 V CB 2.197 33.508 31.823 -0.855 0.000 1.102 33 V HN 0.128 nan 8.190 nan 0.000 0.455 34 R N 0.018 120.391 120.500 -0.212 0.000 2.807 34 R HA 0.914 5.297 4.340 0.073 0.000 0.276 34 R C -1.052 175.201 176.300 -0.079 0.000 0.979 34 R CA -0.544 55.485 56.100 -0.119 0.000 0.928 34 R CB 2.374 32.616 30.300 -0.097 0.000 1.191 34 R HN 1.152 nan 8.270 nan 0.000 0.471 35 V N -1.927 117.967 119.914 -0.033 0.000 3.001 35 V HA 0.911 5.074 4.120 0.073 0.000 0.314 35 V C -0.658 175.444 176.094 0.014 0.000 1.099 35 V CA -0.647 61.657 62.300 0.006 0.000 0.989 35 V CB 2.053 33.897 31.823 0.035 0.000 1.040 35 V HN 0.735 nan 8.190 nan 0.000 0.434 36 S N 0.676 116.394 115.700 0.030 0.000 2.560 36 S HA 0.507 5.020 4.470 0.073 0.000 0.283 36 S C 0.076 174.701 174.600 0.041 0.000 1.141 36 S CA 0.138 58.356 58.200 0.029 0.000 0.902 36 S CB 1.702 64.912 63.200 0.017 0.000 1.104 36 S HN 2.110 nan 8.310 nan 0.000 0.454 37 S N 2.055 117.779 115.700 0.040 0.000 2.578 37 S HA 0.316 4.829 4.470 0.073 0.000 0.231 37 S C -0.106 174.514 174.600 0.033 0.000 0.994 37 S CA -0.435 57.791 58.200 0.043 0.000 0.956 37 S CB -0.027 63.203 63.200 0.051 0.000 0.870 37 S HN 0.664 nan 8.310 nan 0.000 0.494 38 E N 1.868 122.084 120.200 0.027 0.000 2.415 38 E HA 0.349 4.743 4.350 0.073 0.000 0.263 38 E C 1.205 177.815 176.600 0.017 0.000 0.995 38 E CA 0.942 57.354 56.400 0.020 0.000 0.915 38 E CB 0.417 30.126 29.700 0.016 0.000 0.951 38 E HN 0.546 nan 8.360 nan 0.000 0.449 39 G N 2.775 111.584 108.800 0.014 0.000 2.162 39 G HA2 -0.301 3.703 3.960 0.073 0.000 0.260 39 G HA3 -0.301 3.703 3.960 0.073 0.000 0.260 39 G C 0.366 175.271 174.900 0.010 0.000 0.976 39 G CA 0.170 45.276 45.100 0.010 0.000 0.655 39 G HN 0.418 nan 8.290 nan 0.000 0.533 40 L N 0.722 121.954 121.223 0.015 0.000 2.461 40 L HA 0.260 4.644 4.340 0.073 0.000 0.272 40 L C 0.573 177.451 176.870 0.012 0.000 1.197 40 L CA -0.300 54.548 54.840 0.012 0.000 0.836 40 L CB 0.490 42.562 42.059 0.021 0.000 1.105 40 L HN 0.099 nan 8.230 nan 0.000 0.477 41 D N 2.957 123.360 120.400 0.004 0.000 2.453 41 D HA 0.133 4.817 4.640 0.073 0.000 0.223 41 D C 0.946 177.268 176.300 0.036 0.000 1.183 41 D CA 0.019 54.025 54.000 0.009 0.000 0.933 41 D CB 0.720 41.517 40.800 -0.005 0.000 1.038 41 D HN 0.396 nan 8.370 nan 0.000 0.513 42 L N 2.568 123.822 121.223 0.052 0.000 2.093 42 L HA -0.102 4.282 4.340 0.073 0.000 0.208 42 L C 2.451 179.407 176.870 0.145 0.000 1.085 42 L CA 0.935 55.848 54.840 0.121 0.000 0.755 42 L CB -0.322 41.773 42.059 0.059 0.000 0.904 42 L HN 0.369 nan 8.230 nan 0.000 0.435 43 A N 0.291 123.141 122.820 0.050 0.000 1.883 43 A HA -0.208 4.156 4.320 0.073 0.000 0.217 43 A C 2.428 180.071 177.584 0.100 0.000 1.186 43 A CA 1.471 53.535 52.037 0.045 0.000 0.624 43 A CB -0.464 18.541 19.000 0.008 0.000 0.822 43 A HN 0.293 nan 8.150 nan 0.000 0.444 44 R N -0.720 119.825 120.500 0.075 0.000 2.092 44 R HA -0.068 4.316 4.340 0.073 0.000 0.231 44 R C 2.500 178.857 176.300 0.096 0.000 1.119 44 R CA 1.129 57.273 56.100 0.072 0.000 0.970 44 R CB -0.519 29.793 30.300 0.019 0.000 0.864 44 R HN 0.535 nan 8.270 nan 0.000 0.440 45 A N 0.725 123.601 122.820 0.093 0.000 1.883 45 A HA -0.167 4.197 4.320 0.073 0.000 0.217 45 A C 1.888 179.501 177.584 0.049 0.000 1.186 45 A CA 1.331 53.390 52.037 0.037 0.000 0.624 45 A CB -0.557 18.465 19.000 0.037 0.000 0.822 45 A HN 0.187 nan 8.150 nan 0.000 0.444 46 F N 0.964 120.911 119.950 -0.004 0.000 2.187 46 F HA -0.109 4.460 4.527 0.069 0.000 0.295 46 F C 3.000 178.805 175.800 0.009 0.000 1.091 46 F CA 1.529 59.524 58.000 -0.008 0.000 1.308 46 F CB -0.430 38.555 39.000 -0.025 0.000 1.030 46 F HN 0.346 nan 8.300 nan 0.000 0.487 47 S N -0.078 115.743 115.700 0.202 0.000 2.368 47 S HA -0.280 4.234 4.470 0.073 0.000 0.225 47 S C 2.031 176.684 174.600 0.088 0.000 1.030 47 S CA 1.114 59.384 58.200 0.117 0.000 0.999 47 S CB -1.503 61.754 63.200 0.094 0.000 0.844 47 S HN 0.347 nan 8.310 nan 0.000 0.459 48 F N 2.936 122.869 119.950 -0.028 0.000 2.134 48 F HA 0.060 4.631 4.527 0.073 0.000 0.299 48 F C 2.595 178.347 175.800 -0.081 0.000 1.097 48 F CA 0.972 58.936 58.000 -0.060 0.000 1.264 48 F CB -0.813 38.136 39.000 -0.085 0.000 1.001 48 F HN 0.296 nan 8.300 nan 0.000 0.479 49 A N 0.400 123.261 122.820 0.068 0.000 1.858 49 A HA -0.220 4.144 4.320 0.073 0.000 0.216 49 A C 2.368 179.880 177.584 -0.120 0.000 1.190 49 A CA 1.839 53.840 52.037 -0.060 0.000 0.617 49 A CB -0.897 18.018 19.000 -0.143 0.000 0.827 49 A HN 0.436 nan 8.150 nan 0.000 0.443 50 R N -0.425 120.032 120.500 -0.073 0.000 2.081 50 R HA -0.144 4.240 4.340 0.073 0.000 0.235 50 R C 2.079 178.319 176.300 -0.100 0.000 1.131 50 R CA 1.879 57.943 56.100 -0.059 0.000 0.960 50 R CB -0.156 30.151 30.300 0.011 0.000 0.856 50 R HN 0.733 nan 8.270 nan 0.000 0.436 51 E N -0.320 119.803 120.200 -0.129 0.000 2.022 51 E HA -0.091 4.303 4.350 0.073 0.000 0.190 51 E C 1.659 178.111 176.600 -0.247 0.000 0.973 51 E CA 1.400 57.706 56.400 -0.157 0.000 0.816 51 E CB -0.028 29.597 29.700 -0.124 0.000 0.781 51 E HN 0.313 nan 8.360 nan 0.000 0.456 52 D N 0.420 120.563 120.400 -0.429 0.000 2.097 52 D HA -0.105 4.578 4.640 0.073 0.000 0.197 52 D C 1.935 177.990 176.300 -0.408 0.000 0.984 52 D CA 1.390 55.057 54.000 -0.555 0.000 0.826 52 D CB -0.504 39.579 40.800 -1.194 0.000 0.973 52 D HN 0.255 nan 8.370 nan 0.000 0.460 53 G N 0.252 108.818 108.800 -0.390 0.000 2.433 53 G HA2 -0.183 3.821 3.960 0.073 0.000 0.216 53 G HA3 -0.183 3.821 3.960 0.073 0.000 0.216 53 G C 1.734 176.538 174.900 -0.159 0.000 1.186 53 G CA 0.953 45.927 45.100 -0.209 0.000 0.779 53 G HN 0.388 nan 8.290 nan 0.000 0.543 54 G N 1.093 109.800 108.800 -0.155 0.000 2.421 54 G HA2 0.033 4.037 3.960 0.073 0.000 0.216 54 G HA3 0.033 4.037 3.960 0.073 0.000 0.216 54 G C 2.083 176.908 174.900 -0.125 0.000 1.171 54 G CA 1.646 46.670 45.100 -0.127 0.000 0.775 54 G HN 0.671 nan 8.290 nan 0.000 0.543 55 A N 1.203 123.941 122.820 -0.137 0.000 1.902 55 A HA 0.223 4.587 4.320 0.073 0.000 0.217 55 A C 2.835 180.353 177.584 -0.109 0.000 1.181 55 A CA 2.409 54.373 52.037 -0.123 0.000 0.623 55 A CB -0.857 18.066 19.000 -0.128 0.000 0.818 55 A HN 0.820 nan 8.150 nan 0.000 0.443 56 A N -0.306 122.445 122.820 -0.115 0.000 1.877 56 A HA -0.047 4.317 4.320 0.073 0.000 0.216 56 A C 2.199 179.740 177.584 -0.071 0.000 1.186 56 A CA 1.543 53.528 52.037 -0.087 0.000 0.620 56 A CB -0.627 18.321 19.000 -0.087 0.000 0.822 56 A HN 0.473 nan 8.150 nan 0.000 0.443 57 L N -1.186 119.987 121.223 -0.083 0.000 2.056 57 L HA -0.163 4.221 4.340 0.073 0.000 0.207 57 L C 2.834 179.653 176.870 -0.084 0.000 1.078 57 L CA 1.391 56.182 54.840 -0.083 0.000 0.749 57 L CB -0.471 41.529 42.059 -0.098 0.000 0.901 57 L HN 0.336 nan 8.230 nan 0.000 0.433 58 R N -0.115 120.331 120.500 -0.089 0.000 2.152 58 R HA -0.103 4.281 4.340 0.073 0.000 0.232 58 R C 2.336 178.622 176.300 -0.024 0.000 1.117 58 R CA 1.060 57.117 56.100 -0.073 0.000 0.981 58 R CB -0.372 29.872 30.300 -0.094 0.000 0.870 58 R HN 0.352 nan 8.270 nan 0.000 0.451 59 A N 1.253 124.046 122.820 -0.045 0.000 2.015 59 A HA -0.027 4.336 4.320 0.073 0.000 0.219 59 A C 1.131 178.780 177.584 0.109 0.000 1.163 59 A CA 0.704 52.722 52.037 -0.032 0.000 0.646 59 A CB -0.220 18.753 19.000 -0.045 0.000 0.806 59 A HN 0.103 nan 8.150 nan 0.000 0.448 60 L N 0.783 122.048 121.223 0.070 0.000 2.418 60 L HA 0.278 4.661 4.340 0.073 0.000 0.265 60 L C 1.058 177.920 176.870 -0.012 0.000 1.143 60 L CA -0.406 54.462 54.840 0.048 0.000 0.809 60 L CB 0.931 42.976 42.059 -0.024 0.000 1.124 60 L HN 0.361 nan 8.230 nan 0.000 0.456 61 T N -2.379 112.078 114.554 -0.161 0.000 2.849 61 T HA 0.159 4.553 4.350 0.073 0.000 0.284 61 T C 1.109 175.683 174.700 -0.209 0.000 1.004 61 T CA -0.273 61.610 62.100 -0.361 0.000 1.021 61 T CB 0.502 69.196 68.868 -0.290 0.000 1.013 61 T HN 0.372 nan 8.240 nan 0.000 0.527 62 Y N 1.079 121.312 120.300 -0.112 0.000 2.069 62 Y HA -0.125 4.466 4.550 0.069 0.000 0.278 62 Y C 3.063 178.938 175.900 -0.042 0.000 1.175 62 Y CA 2.133 60.208 58.100 -0.041 0.000 1.134 62 Y CB -1.183 37.265 38.460 -0.021 0.000 0.965 62 Y HN 0.836 nan 8.280 nan 0.000 0.498 63 A N -0.147 122.730 122.820 0.096 0.000 1.908 63 A HA -0.289 4.074 4.320 0.073 0.000 0.218 63 A C 2.104 179.692 177.584 0.007 0.000 1.181 63 A CA 1.996 54.054 52.037 0.036 0.000 0.627 63 A CB -0.777 18.230 19.000 0.012 0.000 0.818 63 A HN 0.596 nan 8.150 nan 0.000 0.445 64 Q N -0.783 119.008 119.800 -0.015 0.000 2.084 64 Q HA -0.161 4.223 4.340 0.073 0.000 0.202 64 Q C 2.387 178.377 176.000 -0.017 0.000 0.978 64 Q CA 1.546 57.337 55.803 -0.019 0.000 0.844 64 Q CB -0.177 28.545 28.738 -0.026 0.000 0.898 64 Q HN 0.633 nan 8.270 nan 0.000 0.426 65 R N 0.171 120.654 120.500 -0.028 0.000 2.075 65 R HA -0.076 4.308 4.340 0.073 0.000 0.232 65 R C 2.311 178.612 176.300 0.002 0.000 1.126 65 R CA 1.072 57.158 56.100 -0.023 0.000 0.963 65 R CB -0.403 29.863 30.300 -0.056 0.000 0.858 65 R HN 0.194 nan 8.270 nan 0.000 0.435 66 A N 1.575 124.406 122.820 0.019 0.000 1.908 66 A HA -0.148 4.215 4.320 0.073 0.000 0.218 66 A C 2.414 179.998 177.584 -0.001 0.000 1.181 66 A CA 1.770 53.819 52.037 0.020 0.000 0.627 66 A CB -0.628 18.387 19.000 0.026 0.000 0.818 66 A HN 0.400 nan 8.150 nan 0.000 0.445 67 A N -0.276 122.541 122.820 -0.004 0.000 1.933 67 A HA -0.177 4.187 4.320 0.073 0.000 0.218 67 A C 2.229 179.806 177.584 -0.010 0.000 1.175 67 A CA 1.620 53.651 52.037 -0.010 0.000 0.628 67 A CB -0.451 18.544 19.000 -0.008 0.000 0.814 67 A HN 0.565 nan 8.150 nan 0.000 0.444 68 R N -0.455 120.042 120.500 -0.006 0.000 2.081 68 R HA -0.034 4.350 4.340 0.073 0.000 0.235 68 R C 2.038 178.332 176.300 -0.010 0.000 1.131 68 R CA 1.411 57.510 56.100 -0.002 0.000 0.960 68 R CB -0.518 29.785 30.300 0.005 0.000 0.856 68 R HN 0.523 nan 8.270 nan 0.000 0.436 69 L N 0.082 121.299 121.223 -0.011 0.000 2.042 69 L HA -0.197 4.187 4.340 0.073 0.000 0.210 69 L C 2.673 179.505 176.870 -0.063 0.000 1.076 69 L CA 1.395 56.217 54.840 -0.031 0.000 0.749 69 L CB -0.728 41.330 42.059 -0.002 0.000 0.893 69 L HN 0.277 nan 8.230 nan 0.000 0.432 70 A N -0.115 122.678 122.820 -0.045 0.000 1.933 70 A HA -0.228 4.136 4.320 0.073 0.000 0.218 70 A C 1.901 179.455 177.584 -0.049 0.000 1.175 70 A CA 1.986 53.993 52.037 -0.050 0.000 0.628 70 A CB -0.479 18.499 19.000 -0.037 0.000 0.814 70 A HN 0.365 nan 8.150 nan 0.000 0.444 71 D N 0.078 120.456 120.400 -0.037 0.000 2.117 71 D HA -0.105 4.579 4.640 0.073 0.000 0.197 71 D C 1.849 178.124 176.300 -0.041 0.000 0.987 71 D CA 1.096 55.080 54.000 -0.028 0.000 0.829 71 D CB -0.355 40.438 40.800 -0.011 0.000 0.961 71 D HN 0.538 nan 8.370 nan 0.000 0.460 72 I N 0.452 120.981 120.570 -0.068 0.000 2.179 72 I HA -0.243 3.971 4.170 0.073 0.000 0.242 72 I C 2.419 178.437 176.117 -0.165 0.000 1.088 72 I CA 0.582 61.811 61.300 -0.119 0.000 1.357 72 I CB -0.278 37.603 38.000 -0.198 0.000 1.051 72 I HN -0.106 nan 8.210 nan 0.000 0.409 73 V N 1.148 120.958 119.914 -0.173 0.000 2.252 73 V HA -0.353 3.811 4.120 0.073 0.000 0.249 73 V C 2.467 178.519 176.094 -0.070 0.000 1.056 73 V CA 2.101 64.313 62.300 -0.147 0.000 1.022 73 V CB -0.764 30.992 31.823 -0.111 0.000 0.641 73 V HN 0.412 nan 8.190 nan 0.000 0.445 74 K N -0.516 119.857 120.400 -0.046 0.000 2.063 74 K HA -0.216 4.147 4.320 0.073 0.000 0.208 74 K C 2.089 178.686 176.600 -0.005 0.000 1.048 74 K CA 1.666 57.942 56.287 -0.019 0.000 0.928 74 K CB -0.459 32.031 32.500 -0.015 0.000 0.713 74 K HN 0.307 nan 8.250 nan 0.000 0.442 75 L N 1.494 122.714 121.223 -0.004 0.000 1.994 75 L HA -0.167 4.217 4.340 0.073 0.000 0.208 75 L C 1.911 178.817 176.870 0.060 0.000 1.071 75 L CA 1.592 56.446 54.840 0.023 0.000 0.745 75 L CB -0.389 41.690 42.059 0.034 0.000 0.892 75 L HN 0.133 nan 8.230 nan 0.000 0.431 76 L N -0.925 120.341 121.223 0.071 0.000 2.042 76 L HA -0.239 4.145 4.340 0.073 0.000 0.210 76 L C 2.672 179.654 176.870 0.188 0.000 1.076 76 L CA 1.518 56.486 54.840 0.214 0.000 0.749 76 L CB -0.691 41.403 42.059 0.058 0.000 0.893 76 L HN 0.398 nan 8.230 nan 0.000 0.432 77 Q N 0.412 120.261 119.800 0.082 0.000 2.096 77 Q HA -0.194 4.189 4.340 0.073 0.000 0.204 77 Q C 2.160 178.181 176.000 0.034 0.000 0.982 77 Q CA 2.147 57.992 55.803 0.070 0.000 0.850 77 Q CB -0.263 28.499 28.738 0.040 0.000 0.901 77 Q HN 0.451 nan 8.270 nan 0.000 0.422 78 A N -0.055 122.768 122.820 0.006 0.000 2.067 78 A HA -0.089 4.275 4.320 0.073 0.000 0.219 78 A C 1.451 178.984 177.584 -0.085 0.000 1.158 78 A CA 1.269 53.290 52.037 -0.027 0.000 0.661 78 A CB -0.144 18.845 19.000 -0.019 0.000 0.801 78 A HN 0.324 nan 8.150 nan 0.000 0.452 79 K N -0.882 119.423 120.400 -0.158 0.000 2.399 79 K HA 0.186 4.550 4.320 0.073 0.000 0.204 79 K C 1.357 177.538 176.600 -0.698 0.000 1.023 79 K CA -0.277 55.758 56.287 -0.421 0.000 1.127 79 K CB 0.319 32.507 32.500 -0.520 0.000 0.856 79 K HN 0.333 nan 8.250 nan 0.000 0.514 80 R N 0.520 120.873 120.500 -0.245 0.000 2.117 80 R HA -0.138 4.246 4.340 0.073 0.000 0.243 80 R C 2.320 178.679 176.300 0.099 0.000 1.143 80 R CA 1.650 57.777 56.100 0.045 0.000 0.968 80 R CB -0.461 29.996 30.300 0.261 0.000 0.863 80 R HN 0.312 nan 8.270 nan 0.000 0.444 81 G N 1.194 109.981 108.800 -0.022 0.000 2.469 81 G HA2 -0.294 3.710 3.960 0.073 0.000 0.219 81 G HA3 -0.294 3.710 3.960 0.073 0.000 0.219 81 G C 0.823 175.711 174.900 -0.019 0.000 1.150 81 G CA 1.234 46.333 45.100 -0.002 0.000 0.763 81 G HN 0.247 nan 8.290 nan 0.000 0.561 82 D N -0.140 120.160 120.400 -0.166 0.000 2.117 82 D HA -0.085 4.598 4.640 0.073 0.000 0.197 82 D C 2.223 178.485 176.300 -0.064 0.000 0.987 82 D CA 0.831 54.733 54.000 -0.163 0.000 0.829 82 D CB -0.342 40.297 40.800 -0.268 0.000 0.961 82 D HN 0.368 nan 8.370 nan 0.000 0.460 83 Y N 0.031 120.314 120.300 -0.030 0.000 2.163 83 Y HA -0.154 4.441 4.550 0.075 0.000 0.288 83 Y C 2.412 178.233 175.900 -0.133 0.000 1.136 83 Y CA 0.244 58.281 58.100 -0.105 0.000 1.147 83 Y CB -1.343 37.070 38.460 -0.078 0.000 0.987 83 Y HN 0.097 nan 8.280 nan 0.000 0.509 84 Y N -0.339 120.020 120.300 0.098 0.000 2.207 84 Y HA -0.216 4.378 4.550 0.074 0.000 0.287 84 Y C 2.612 178.513 175.900 0.001 0.000 1.156 84 Y CA 1.340 59.468 58.100 0.046 0.000 1.182 84 Y CB -0.733 37.747 38.460 0.034 0.000 0.979 84 Y HN 0.094 nan 8.280 nan 0.000 0.521 85 A N -0.025 122.861 122.820 0.109 0.000 1.898 85 A HA -0.143 4.221 4.320 0.073 0.000 0.216 85 A C 2.209 179.764 177.584 -0.049 0.000 1.181 85 A CA 1.606 53.664 52.037 0.035 0.000 0.620 85 A CB -0.957 18.050 19.000 0.013 0.000 0.819 85 A HN 0.479 nan 8.150 nan 0.000 0.442 86 I N -0.244 120.211 120.570 -0.192 0.000 2.179 86 I HA -0.276 3.938 4.170 0.073 0.000 0.242 86 I C 2.990 179.015 176.117 -0.153 0.000 1.088 86 I CA 1.037 62.089 61.300 -0.415 0.000 1.357 86 I CB -0.369 37.166 38.000 -0.774 0.000 1.051 86 I HN 0.357 nan 8.210 nan 0.000 0.409 87 A N 0.487 123.251 122.820 -0.093 0.000 1.883 87 A HA -0.220 4.144 4.320 0.073 0.000 0.217 87 A C 2.389 179.983 177.584 0.017 0.000 1.186 87 A CA 2.553 54.566 52.037 -0.040 0.000 0.624 87 A CB -1.160 17.787 19.000 -0.088 0.000 0.822 87 A HN 0.393 nan 8.150 nan 0.000 0.444 88 T N 0.324 114.903 114.554 0.042 0.000 2.652 88 T HA -0.070 4.324 4.350 0.073 0.000 0.267 88 T C 2.231 176.970 174.700 0.066 0.000 1.039 88 T CA 1.912 64.050 62.100 0.063 0.000 1.153 88 T CB -0.513 68.402 68.868 0.077 0.000 0.863 88 T HN 0.614 nan 8.240 nan 0.000 0.428 89 A N 1.730 124.600 122.820 0.084 0.000 1.873 89 A HA -0.088 4.276 4.320 0.073 0.000 0.215 89 A C 2.267 179.938 177.584 0.145 0.000 1.186 89 A CA 1.717 53.832 52.037 0.130 0.000 0.616 89 A CB -0.662 18.464 19.000 0.210 0.000 0.823 89 A HN 0.426 nan 8.150 nan 0.000 0.442 90 N N -0.629 118.172 118.700 0.168 0.000 2.290 90 N HA -0.003 4.781 4.740 0.073 0.000 0.179 90 N C 1.546 177.116 175.510 0.100 0.000 1.016 90 N CA 1.633 54.794 53.050 0.186 0.000 0.871 90 N CB 0.023 38.677 38.487 0.278 0.000 0.987 90 N HN 0.295 nan 8.380 nan 0.000 0.431 91 S N -1.469 114.272 115.700 0.069 0.000 2.502 91 S HA 0.282 4.795 4.470 0.073 0.000 0.215 91 S C 0.944 175.558 174.600 0.024 0.000 1.009 91 S CA 0.343 58.566 58.200 0.040 0.000 0.908 91 S CB 0.475 63.692 63.200 0.028 0.000 0.801 91 S HN 0.566 nan 8.310 nan 0.000 0.505 92 G N 3.080 111.899 108.800 0.032 0.000 2.198 92 G HA2 -0.270 3.734 3.960 0.073 0.000 0.260 92 G HA3 -0.270 3.734 3.960 0.073 0.000 0.260 92 G C 0.164 175.076 174.900 0.021 0.000 1.025 92 G CA 0.596 45.711 45.100 0.026 0.000 0.769 92 G HN 0.657 nan 8.290 nan 0.000 0.507 93 T N -0.785 113.782 114.554 0.022 0.000 2.882 93 T HA 0.649 5.042 4.350 0.073 0.000 0.287 93 T C 0.909 175.633 174.700 0.039 0.000 0.992 93 T CA 0.269 62.380 62.100 0.018 0.000 1.076 93 T CB 1.704 70.574 68.868 0.003 0.000 0.961 93 T HN 1.224 nan 8.240 nan 0.000 0.490 94 T N 0.141 114.716 114.554 0.035 0.000 2.791 94 T HA 0.109 4.502 4.350 0.073 0.000 0.323 94 T C 1.372 176.125 174.700 0.088 0.000 1.082 94 T CA -0.464 61.665 62.100 0.049 0.000 1.084 94 T CB 0.550 69.437 68.868 0.032 0.000 0.992 94 T HN 0.763 nan 8.240 nan 0.000 0.547 95 R N 1.462 122.024 120.500 0.103 0.000 2.096 95 R HA -0.152 4.232 4.340 0.073 0.000 0.240 95 R C 2.138 178.554 176.300 0.192 0.000 1.139 95 R CA 2.143 58.346 56.100 0.171 0.000 0.952 95 R CB -0.786 29.554 30.300 0.067 0.000 0.854 95 R HN 0.735 nan 8.270 nan 0.000 0.436 96 N N 0.529 119.290 118.700 0.101 0.000 2.166 96 N HA -0.131 4.653 4.740 0.073 0.000 0.186 96 N C 0.981 176.538 175.510 0.079 0.000 1.019 96 N CA 1.600 54.698 53.050 0.080 0.000 0.856 96 N CB -0.314 38.194 38.487 0.035 0.000 0.993 96 N HN 0.333 nan 8.380 nan 0.000 0.426 97 D N -0.112 120.326 120.400 0.063 0.000 2.137 97 D HA 0.036 4.719 4.640 0.073 0.000 0.202 97 D C 1.868 178.201 176.300 0.056 0.000 0.970 97 D CA 0.624 54.648 54.000 0.040 0.000 0.837 97 D CB -0.319 40.485 40.800 0.007 0.000 0.981 97 D HN 0.045 nan 8.370 nan 0.000 0.475 98 S N 0.653 116.396 115.700 0.071 0.000 2.383 98 S HA -0.191 4.323 4.470 0.073 0.000 0.229 98 S C 2.106 176.697 174.600 -0.014 0.000 1.030 98 S CA 1.147 59.354 58.200 0.011 0.000 1.002 98 S CB -0.274 62.930 63.200 0.007 0.000 0.829 98 S HN 0.371 nan 8.310 nan 0.000 0.467 99 A N 1.140 124.046 122.820 0.143 0.000 1.940 99 A HA -0.093 4.271 4.320 0.073 0.000 0.219 99 A C 2.307 179.950 177.584 0.099 0.000 1.176 99 A CA 1.646 53.796 52.037 0.187 0.000 0.631 99 A CB -0.929 18.222 19.000 0.250 0.000 0.814 99 A HN 0.367 nan 8.150 nan 0.000 0.446 100 V N 0.324 120.288 119.914 0.083 0.000 2.332 100 V HA -0.265 3.898 4.120 0.073 0.000 0.248 100 V C 2.348 178.505 176.094 0.105 0.000 1.055 100 V CA 2.498 64.829 62.300 0.052 0.000 1.038 100 V CB -0.774 31.108 31.823 0.098 0.000 0.651 100 V HN 0.675 nan 8.190 nan 0.000 0.450 101 D N -0.164 120.383 120.400 0.244 0.000 2.091 101 D HA -0.070 4.613 4.640 0.073 0.000 0.199 101 D C 1.975 178.405 176.300 0.217 0.000 0.980 101 D CA 1.373 55.587 54.000 0.357 0.000 0.831 101 D CB -0.079 40.925 40.800 0.342 0.000 0.987 101 D HN 0.389 nan 8.370 nan 0.000 0.460 102 I N 0.434 121.044 120.570 0.066 0.000 2.162 102 I HA -0.160 4.053 4.170 0.073 0.000 0.238 102 I C 1.692 177.883 176.117 0.123 0.000 1.076 102 I CA 1.075 62.389 61.300 0.023 0.000 1.353 102 I CB -0.164 37.697 38.000 -0.231 0.000 1.063 102 I HN -0.050 nan 8.210 nan 0.000 0.408 103 D N 0.782 121.264 120.400 0.137 0.000 2.194 103 D HA -0.062 4.622 4.640 0.073 0.000 0.204 103 D C 2.175 178.583 176.300 0.179 0.000 0.964 103 D CA 1.231 55.337 54.000 0.176 0.000 0.846 103 D CB -0.449 40.465 40.800 0.189 0.000 0.962 103 D HN 0.368 nan 8.370 nan 0.000 0.490 104 G N 0.754 109.631 108.800 0.127 0.000 2.440 104 G HA2 -0.206 3.798 3.960 0.073 0.000 0.218 104 G HA3 -0.206 3.798 3.960 0.073 0.000 0.218 104 G C 1.701 176.829 174.900 0.381 0.000 1.154 104 G CA 1.104 46.281 45.100 0.127 0.000 0.767 104 G HN 0.386 nan 8.290 nan 0.000 0.552 105 G N 1.082 110.121 108.800 0.397 0.000 2.459 105 G HA2 -0.188 3.815 3.960 0.073 0.000 0.217 105 G HA3 -0.188 3.815 3.960 0.073 0.000 0.217 105 G C 1.789 176.835 174.900 0.243 0.000 1.183 105 G CA 0.922 46.277 45.100 0.425 0.000 0.776 105 G HN 0.438 nan 8.290 nan 0.000 0.552 106 I N -0.352 120.307 120.570 0.149 0.000 2.142 106 I HA -0.125 4.088 4.170 0.073 0.000 0.240 106 I C 2.430 178.620 176.117 0.122 0.000 1.078 106 I CA 1.151 62.472 61.300 0.036 0.000 1.343 106 I CB -0.356 37.679 38.000 0.058 0.000 1.046 106 I HN 0.188 nan 8.210 nan 0.000 0.405 107 F N 1.696 121.689 119.950 0.071 0.000 2.087 107 F HA -0.353 4.217 4.527 0.071 0.000 0.299 107 F C 2.587 178.470 175.800 0.138 0.000 1.100 107 F CA 2.455 60.506 58.000 0.085 0.000 1.226 107 F CB -0.519 38.523 39.000 0.070 0.000 0.983 107 F HN -0.024 nan 8.300 nan 0.000 0.479 108 T N 1.175 115.992 114.554 0.440 0.000 2.708 108 T HA -0.209 4.185 4.350 0.073 0.000 0.266 108 T C 1.788 176.688 174.700 0.334 0.000 1.037 108 T CA 1.460 63.813 62.100 0.420 0.000 1.146 108 T CB -0.626 68.508 68.868 0.443 0.000 0.865 108 T HN 0.247 nan 8.240 nan 0.000 0.435 109 L N 1.133 122.469 121.223 0.189 0.000 2.012 109 L HA -0.036 4.348 4.340 0.073 0.000 0.210 109 L C 2.604 179.500 176.870 0.043 0.000 1.073 109 L CA 1.888 56.779 54.840 0.084 0.000 0.748 109 L CB -1.076 40.870 42.059 -0.188 0.000 0.891 109 L HN 0.182 nan 8.230 nan 0.000 0.431 110 S N -1.952 113.730 115.700 -0.029 0.000 2.382 110 S HA -0.266 4.248 4.470 0.073 0.000 0.228 110 S C 2.076 176.613 174.600 -0.106 0.000 1.027 110 S CA 1.242 59.390 58.200 -0.087 0.000 0.991 110 S CB -0.660 62.464 63.200 -0.126 0.000 0.823 110 S HN 0.648 nan 8.310 nan 0.000 0.469 111 Y N 0.928 121.063 120.300 -0.274 0.000 2.128 111 Y HA -0.206 4.386 4.550 0.069 0.000 0.284 111 Y C 1.803 177.540 175.900 -0.271 0.000 1.154 111 Y CA 1.972 59.873 58.100 -0.332 0.000 1.149 111 Y CB -0.893 37.336 38.460 -0.385 0.000 0.976 111 Y HN 0.378 nan 8.280 nan 0.000 0.505 112 Y N -0.266 119.912 120.300 -0.204 0.000 2.293 112 Y HA -0.081 4.512 4.550 0.071 0.000 0.291 112 Y C 2.636 178.430 175.900 -0.176 0.000 1.137 112 Y CA 1.114 59.071 58.100 -0.238 0.000 1.202 112 Y CB -0.846 37.583 38.460 -0.053 0.000 0.990 112 Y HN 0.263 nan 8.280 nan 0.000 0.537 113 A N 0.307 123.120 122.820 -0.011 0.000 1.902 113 A HA -0.222 4.141 4.320 0.073 0.000 0.217 113 A C 2.158 179.689 177.584 -0.087 0.000 1.181 113 A CA 1.907 53.923 52.037 -0.035 0.000 0.623 113 A CB -0.452 18.521 19.000 -0.044 0.000 0.818 113 A HN 0.397 nan 8.150 nan 0.000 0.443 114 K N -0.964 119.344 120.400 -0.153 0.000 2.025 114 K HA -0.058 4.306 4.320 0.073 0.000 0.207 114 K C 1.882 178.364 176.600 -0.196 0.000 1.049 114 K CA 1.233 57.423 56.287 -0.162 0.000 0.933 114 K CB -0.385 32.013 32.500 -0.170 0.000 0.714 114 K HN 0.305 nan 8.250 nan 0.000 0.438 115 L N 0.969 121.988 121.223 -0.340 0.000 2.043 115 L HA -0.140 4.243 4.340 0.073 0.000 0.212 115 L C 2.221 179.000 176.870 -0.152 0.000 1.075 115 L CA 2.011 56.652 54.840 -0.330 0.000 0.752 115 L CB -1.030 40.667 42.059 -0.603 0.000 0.891 115 L HN 0.297 nan 8.230 nan 0.000 0.432 116 G N -1.760 106.992 108.800 -0.080 0.000 2.408 116 G HA2 -0.214 3.790 3.960 0.073 0.000 0.217 116 G HA3 -0.214 3.790 3.960 0.073 0.000 0.217 116 G C 1.645 176.549 174.900 0.007 0.000 1.150 116 G CA 0.722 45.832 45.100 0.017 0.000 0.776 116 G HN 0.589 nan 8.290 nan 0.000 0.542 117 A N 1.458 124.263 122.820 -0.026 0.000 1.948 117 A HA -0.104 4.259 4.320 0.073 0.000 0.220 117 A C 2.709 180.275 177.584 -0.029 0.000 1.177 117 A CA 2.666 54.689 52.037 -0.023 0.000 0.636 117 A CB -0.816 18.162 19.000 -0.037 0.000 0.815 117 A HN 0.848 nan 8.150 nan 0.000 0.449 118 S N -0.349 115.320 115.700 -0.051 0.000 2.474 118 S HA 0.007 4.520 4.470 0.073 0.000 0.235 118 S C 1.603 176.167 174.600 -0.060 0.000 0.997 118 S CA 1.204 59.370 58.200 -0.056 0.000 0.949 118 S CB -0.584 62.573 63.200 -0.072 0.000 0.766 118 S HN 0.479 nan 8.310 nan 0.000 0.517 119 L N 1.011 122.199 121.223 -0.058 0.000 2.418 119 L HA 0.276 4.660 4.340 0.073 0.000 0.218 119 L C 1.669 178.506 176.870 -0.055 0.000 1.125 119 L CA 0.293 55.074 54.840 -0.099 0.000 0.835 119 L CB -1.383 40.578 42.059 -0.162 0.000 0.953 119 L HN 0.659 nan 8.230 nan 0.000 0.454 120 G N 0.740 109.534 108.800 -0.011 0.000 2.741 120 G HA2 -0.228 3.776 3.960 0.073 0.000 0.222 120 G HA3 -0.228 3.776 3.960 0.073 0.000 0.222 120 G C -0.145 174.762 174.900 0.012 0.000 1.364 120 G CA -0.627 44.470 45.100 -0.005 0.000 0.866 120 G HN 0.212 nan 8.290 nan 0.000 0.555 121 E N 0.571 120.763 120.200 -0.013 0.000 2.325 121 E HA 0.360 4.754 4.350 0.073 0.000 0.295 121 E C 0.863 177.415 176.600 -0.080 0.000 1.461 121 E CA 0.500 56.872 56.400 -0.047 0.000 1.698 121 E CB 0.101 29.783 29.700 -0.031 0.000 1.496 121 E HN 1.186 nan 8.360 nan 0.000 0.474 122 V N -2.436 117.442 119.914 -0.062 0.000 3.126 122 V HA 0.457 4.621 4.120 0.073 0.000 0.314 122 V C 0.150 176.194 176.094 -0.083 0.000 1.138 122 V CA -0.823 61.460 62.300 -0.028 0.000 1.034 122 V CB 1.932 33.793 31.823 0.062 0.000 1.075 122 V HN 0.217 nan 8.190 nan 0.000 0.442 123 H N 0.544 119.739 119.070 0.209 0.000 2.893 123 H HA 0.839 5.438 4.556 0.072 0.000 0.270 123 H C 0.381 175.895 175.328 0.309 0.000 1.095 123 H CA 0.746 56.893 56.048 0.165 0.000 1.186 123 H CB 1.127 30.916 29.762 0.044 0.000 1.562 123 H HN 1.094 nan 8.280 nan 0.000 0.536 124 A N 0.807 123.889 122.820 0.437 0.000 2.594 124 A HA 0.594 4.958 4.320 0.073 0.000 0.295 124 A C -1.510 176.159 177.584 0.142 0.000 1.071 124 A CA -0.711 51.530 52.037 0.340 0.000 0.685 124 A CB 1.223 20.346 19.000 0.206 0.000 1.285 124 A HN 0.136 nan 8.150 nan 0.000 0.405 125 L N 1.317 122.552 121.223 0.021 0.000 2.331 125 L HA 0.558 4.942 4.340 0.073 0.000 0.275 125 L C 0.495 177.326 176.870 -0.065 0.000 1.022 125 L CA -0.748 54.007 54.840 -0.141 0.000 0.812 125 L CB 1.588 43.458 42.059 -0.315 0.000 1.257 125 L HN 0.768 nan 8.230 nan 0.000 0.435 126 R N 1.326 121.786 120.500 -0.067 0.000 2.438 126 R HA 0.122 4.506 4.340 0.073 0.000 0.287 126 R C -0.589 175.689 176.300 -0.036 0.000 1.077 126 R CA -0.283 55.798 56.100 -0.031 0.000 1.034 126 R CB 0.755 31.038 30.300 -0.027 0.000 0.993 126 R HN 0.512 nan 8.270 nan 0.000 0.459 127 D N 2.594 122.996 120.400 0.004 0.000 2.414 127 D HA 0.260 4.944 4.640 0.073 0.000 0.232 127 D C 0.421 176.726 176.300 0.009 0.000 1.070 127 D CA 0.290 54.289 54.000 -0.003 0.000 0.839 127 D CB 1.150 41.959 40.800 0.014 0.000 1.079 127 D HN 0.722 nan 8.370 nan 0.000 0.521 128 G N 3.265 112.055 108.800 -0.016 0.000 2.645 128 G HA2 -0.204 3.800 3.960 0.073 0.000 0.246 128 G HA3 -0.204 3.800 3.960 0.073 0.000 0.246 128 G C -0.104 174.800 174.900 0.007 0.000 1.322 128 G CA 0.069 45.163 45.100 -0.012 0.000 0.898 128 G HN 0.893 nan 8.290 nan 0.000 0.573 129 S N -0.591 115.117 115.700 0.013 0.000 2.718 129 S HA 0.875 5.388 4.470 0.073 0.000 0.300 129 S C 0.464 175.079 174.600 0.024 0.000 1.117 129 S CA 0.406 58.613 58.200 0.011 0.000 1.002 129 S CB 1.729 64.930 63.200 0.002 0.000 1.092 129 S HN 2.417 nan 8.310 nan 0.000 0.542 130 A N 0.266 123.089 122.820 0.005 0.000 2.462 130 A HA 0.470 4.834 4.320 0.073 0.000 0.243 130 A C 0.180 177.762 177.584 -0.003 0.000 1.076 130 A CA -0.166 51.866 52.037 -0.008 0.000 0.773 130 A CB -0.213 18.770 19.000 -0.027 0.000 1.010 130 A HN 0.839 nan 8.150 nan 0.000 0.493 131 E N 1.217 121.412 120.200 -0.009 0.000 2.248 131 E HA 0.400 4.794 4.350 0.073 0.000 0.267 131 E C -0.706 175.882 176.600 -0.020 0.000 0.877 131 E CA -0.425 55.975 56.400 0.000 0.000 0.759 131 E CB 1.681 31.399 29.700 0.029 0.000 1.182 131 E HN 0.658 nan 8.360 nan 0.000 0.418 132 S N 3.436 119.134 115.700 -0.003 0.000 2.549 132 S HA 0.175 4.689 4.470 0.073 0.000 0.279 132 S C 0.572 175.190 174.600 0.030 0.000 1.321 132 S CA -0.158 58.046 58.200 0.006 0.000 1.054 132 S CB 0.287 63.499 63.200 0.020 0.000 0.899 132 S HN 0.550 nan 8.310 nan 0.000 0.497 133 L N 3.868 125.127 121.223 0.061 0.000 2.857 133 L HA 0.299 4.682 4.340 0.073 0.000 0.249 133 L C 0.092 177.068 176.870 0.175 0.000 1.172 133 L CA -0.273 54.650 54.840 0.138 0.000 0.980 133 L CB 0.149 42.342 42.059 0.224 0.000 1.299 133 L HN 0.691 nan 8.230 nan 0.000 0.535 134 S N -2.750 113.029 115.700 0.131 0.000 2.541 134 S HA 0.345 4.859 4.470 0.073 0.000 0.271 134 S C 0.224 174.863 174.600 0.065 0.000 1.133 134 S CA -0.857 57.406 58.200 0.104 0.000 0.876 134 S CB 2.540 65.819 63.200 0.132 0.000 1.105 134 S HN -0.095 nan 8.310 nan 0.000 0.470 135 K N 1.482 121.910 120.400 0.046 0.000 2.074 135 K HA -0.150 4.214 4.320 0.073 0.000 0.209 135 K C 1.262 177.881 176.600 0.032 0.000 1.048 135 K CA 2.494 58.801 56.287 0.033 0.000 0.926 135 K CB -0.520 31.994 32.500 0.024 0.000 0.713 135 K HN 0.822 nan 8.250 nan 0.000 0.444 136 D N -0.697 119.724 120.400 0.036 0.000 2.349 136 D HA -0.060 4.623 4.640 0.073 0.000 0.224 136 D C -0.241 176.083 176.300 0.039 0.000 1.029 136 D CA 0.139 54.159 54.000 0.033 0.000 0.879 136 D CB -0.100 40.717 40.800 0.029 0.000 0.906 136 D HN 0.270 nan 8.370 nan 0.000 0.528 137 R N -0.813 119.717 120.500 0.050 0.000 3.878 137 R HA -0.187 4.197 4.340 0.073 0.000 0.330 137 R C 1.146 177.480 176.300 0.056 0.000 1.186 137 R CA 0.927 57.055 56.100 0.047 0.000 0.885 137 R CB -2.839 27.477 30.300 0.027 0.000 1.377 137 R HN 0.436 nan 8.270 nan 0.000 0.523 138 S N -0.653 115.099 115.700 0.086 0.000 2.470 138 S HA 0.031 4.544 4.470 0.073 0.000 0.225 138 S C 0.407 175.109 174.600 0.169 0.000 1.006 138 S CA 0.271 58.531 58.200 0.100 0.000 0.934 138 S CB 0.180 63.435 63.200 0.091 0.000 0.778 138 S HN 0.312 nan 8.310 nan 0.000 0.517 139 F N 1.985 121.934 119.950 -0.001 0.000 2.477 139 F HA 0.709 5.280 4.527 0.073 0.000 0.335 139 F C -0.365 175.434 175.800 -0.003 0.000 1.130 139 F CA -0.659 57.339 58.000 -0.003 0.000 0.948 139 F CB 1.926 40.923 39.000 -0.003 0.000 1.154 139 F HN -0.011 nan 8.300 nan 0.000 0.439 140 S N 2.741 118.157 115.700 -0.474 0.000 2.697 140 S HA 0.955 5.468 4.470 0.073 0.000 0.289 140 S C -1.346 172.987 174.600 -0.445 0.000 1.149 140 S CA -0.733 57.273 58.200 -0.324 0.000 0.850 140 S CB 1.797 64.899 63.200 -0.163 0.000 1.151 140 S HN 0.829 nan 8.310 nan 0.000 0.491 141 A N 1.098 123.765 122.820 -0.256 0.000 2.422 141 A HA 0.809 5.172 4.320 0.073 0.000 0.302 141 A C -1.330 176.160 177.584 -0.156 0.000 1.041 141 A CA -0.550 51.339 52.037 -0.247 0.000 0.708 141 A CB 1.769 20.642 19.000 -0.212 0.000 1.257 141 A HN 0.545 nan 8.150 nan 0.000 0.414 142 Q N 1.249 120.941 119.800 -0.179 0.000 2.304 142 Q HA 0.546 4.930 4.340 0.073 0.000 0.270 142 Q C -1.511 174.402 176.000 -0.146 0.000 1.035 142 Q CA -0.289 55.460 55.803 -0.090 0.000 0.781 142 Q CB 0.826 29.526 28.738 -0.062 0.000 1.261 142 Q HN 0.822 nan 8.270 nan 0.000 0.444 143 H N 0.944 119.997 119.070 -0.028 0.000 2.582 143 H HA 0.581 5.181 4.556 0.074 0.000 0.345 143 H C -0.118 175.202 175.328 -0.013 0.000 1.104 143 H CA 0.096 56.135 56.048 -0.015 0.000 1.390 143 H CB 1.205 30.962 29.762 -0.009 0.000 1.461 143 H HN 0.509 nan 8.280 nan 0.000 0.551 144 V N 1.068 121.044 119.914 0.103 0.000 3.040 144 V HA 0.574 4.738 4.120 0.073 0.000 0.312 144 V C -0.884 175.257 176.094 0.080 0.000 1.115 144 V CA -1.173 61.166 62.300 0.066 0.000 0.998 144 V CB 2.081 33.932 31.823 0.046 0.000 1.042 144 V HN 0.559 nan 8.190 nan 0.000 0.433 145 L N 2.351 123.610 121.223 0.060 0.000 2.313 145 L HA 0.738 5.122 4.340 0.073 0.000 0.283 145 L C -0.063 176.970 176.870 0.270 0.000 1.013 145 L CA -0.197 54.701 54.840 0.096 0.000 0.816 145 L CB 1.938 43.911 42.059 -0.144 0.000 1.236 145 L HN 0.818 nan 8.230 nan 0.000 0.419 146 S N 3.042 118.944 115.700 0.336 0.000 2.513 146 S HA 0.555 5.069 4.470 0.073 0.000 0.299 146 S C -2.593 172.142 174.600 0.223 0.000 1.087 146 S CA -1.389 56.989 58.200 0.298 0.000 1.012 146 S CB 2.068 65.349 63.200 0.134 0.000 1.044 146 S HN 0.311 nan 8.310 nan 0.000 0.485 147 P HA 0.094 nan 4.420 nan 0.000 0.268 147 P C -0.148 177.085 177.300 -0.111 0.000 1.205 147 P CA -0.042 62.922 63.100 -0.226 0.000 0.771 147 P CB 0.241 31.829 31.700 -0.187 0.000 0.858 148 T N 3.226 117.718 114.554 -0.103 0.000 2.901 148 T HA 0.095 4.489 4.350 0.073 0.000 0.301 148 T C 0.602 175.264 174.700 -0.064 0.000 1.012 148 T CA -0.368 61.706 62.100 -0.044 0.000 1.135 148 T CB -0.166 68.708 68.868 0.009 0.000 0.936 148 T HN 0.220 nan 8.240 nan 0.000 0.539 149 R N 3.631 124.066 120.500 -0.108 0.000 4.496 149 R HA 0.369 4.753 4.340 0.073 0.000 0.211 149 R C 0.666 176.958 176.300 -0.012 0.000 1.738 149 R CA -0.382 55.644 56.100 -0.123 0.000 1.528 149 R CB -0.083 30.070 30.300 -0.246 0.000 1.414 149 R HN 0.739 nan 8.270 nan 0.000 0.812 150 G N -0.355 108.458 108.800 0.020 0.000 2.870 150 G HA2 0.480 4.484 3.960 0.073 0.000 0.299 150 G HA3 0.480 4.484 3.960 0.073 0.000 0.299 150 G C -0.889 174.015 174.900 0.008 0.000 1.324 150 G CA -0.428 44.710 45.100 0.063 0.000 0.808 150 G HN 0.125 nan 8.290 nan 0.000 0.535 151 V N -2.804 117.118 119.914 0.014 0.000 2.881 151 V HA 0.912 5.076 4.120 0.073 0.000 0.316 151 V C 0.095 176.162 176.094 -0.045 0.000 1.070 151 V CA -0.659 61.610 62.300 -0.050 0.000 0.976 151 V CB 1.441 33.204 31.823 -0.100 0.000 1.038 151 V HN 1.664 nan 8.190 nan 0.000 0.446 152 A N 3.809 126.546 122.820 -0.139 0.000 2.258 152 A HA 0.766 5.130 4.320 0.073 0.000 0.316 152 A C -0.794 176.488 177.584 -0.503 0.000 1.279 152 A CA -0.459 51.463 52.037 -0.192 0.000 0.876 152 A CB 0.690 19.622 19.000 -0.114 0.000 1.170 152 A HN 1.343 nan 8.150 nan 0.000 0.520 153 L N 3.747 124.828 121.223 -0.238 0.000 2.272 153 L HA 0.733 5.117 4.340 0.073 0.000 0.289 153 L C -1.639 175.232 176.870 0.002 0.000 1.032 153 L CA -0.314 54.419 54.840 -0.178 0.000 0.810 153 L CB 0.318 42.431 42.059 0.090 0.000 1.205 153 L HN 0.481 nan 8.230 nan 0.000 0.422 154 F N 6.341 126.343 119.950 0.087 0.000 2.388 154 F HA 0.468 5.034 4.527 0.065 0.000 0.358 154 F C 0.133 175.978 175.800 0.075 0.000 1.122 154 F CA -1.110 56.933 58.000 0.072 0.000 1.056 154 F CB 0.763 39.762 39.000 -0.002 0.000 1.155 154 F HN 0.259 nan 8.300 nan 0.000 0.461 155 I N 4.606 125.365 120.570 0.316 0.000 2.307 155 I HA 0.246 4.460 4.170 0.073 0.000 0.287 155 I C -0.344 175.851 176.117 0.130 0.000 1.054 155 I CA -0.355 61.101 61.300 0.261 0.000 1.218 155 I CB 0.217 38.452 38.000 0.392 0.000 1.398 155 I HN 0.420 nan 8.210 nan 0.000 0.475 156 N N 4.190 122.935 118.700 0.075 0.000 2.466 156 N HA 0.600 5.384 4.740 0.073 0.000 0.294 156 N C -0.156 175.322 175.510 -0.054 0.000 1.129 156 N CA -0.439 52.596 53.050 -0.025 0.000 0.931 156 N CB 1.879 40.367 38.487 0.003 0.000 1.193 156 N HN 0.591 nan 8.380 nan 0.000 0.500 157 A N 0.646 123.388 122.820 -0.130 0.000 2.332 157 A HA 0.261 4.625 4.320 0.073 0.000 0.258 157 A C 0.882 178.424 177.584 -0.070 0.000 1.087 157 A CA -0.337 51.580 52.037 -0.199 0.000 0.802 157 A CB -0.294 18.502 19.000 -0.340 0.000 1.042 157 A HN 0.726 nan 8.150 nan 0.000 0.489 158 F N 1.471 121.438 119.950 0.028 0.000 2.365 158 F HA -0.131 4.442 4.527 0.077 0.000 0.300 158 F C 1.672 177.497 175.800 0.043 0.000 1.090 158 F CA 1.067 59.097 58.000 0.049 0.000 1.408 158 F CB -0.993 38.037 39.000 0.051 0.000 1.060 158 F HN 0.564 nan 8.300 nan 0.000 0.534 159 N N 0.577 119.266 118.700 -0.018 0.000 2.270 159 N HA -0.166 4.618 4.740 0.073 0.000 0.181 159 N C -0.113 175.223 175.510 -0.290 0.000 1.016 159 N CA 0.990 54.007 53.050 -0.054 0.000 0.870 159 N CB -0.852 37.526 38.487 -0.181 0.000 0.979 159 N HN 0.352 nan 8.380 nan 0.000 0.431 160 F N 0.551 120.589 119.950 0.147 0.000 2.622 160 F HA 0.439 5.010 4.527 0.073 0.000 0.338 160 F C -1.727 174.155 175.800 0.137 0.000 1.334 160 F CA -2.425 55.682 58.000 0.178 0.000 1.179 160 F CB 1.805 41.004 39.000 0.332 0.000 1.471 160 F HN -0.140 nan 8.300 nan 0.000 0.576 161 P HA -0.181 nan 4.420 nan 0.000 0.216 161 P C 1.818 179.165 177.300 0.078 0.000 1.150 161 P CA 1.409 64.586 63.100 0.129 0.000 0.837 161 P CB 0.480 32.241 31.700 0.101 0.000 0.786 162 S N -1.843 113.945 115.700 0.146 0.000 2.355 162 S HA -0.073 4.441 4.470 0.073 0.000 0.216 162 S C 1.858 176.586 174.600 0.212 0.000 1.037 162 S CA 0.390 58.675 58.200 0.141 0.000 0.955 162 S CB -1.228 62.075 63.200 0.172 0.000 0.877 162 S HN 0.135 nan 8.310 nan 0.000 0.488 163 W N 2.311 123.685 121.300 0.124 0.000 2.363 163 W HA 0.087 4.791 4.660 0.073 0.000 0.296 163 W C 2.144 178.632 176.519 -0.051 0.000 1.212 163 W CA 1.480 58.840 57.345 0.024 0.000 1.260 163 W CB -0.875 28.458 29.460 -0.213 0.000 1.131 163 W HN 0.395 nan 8.180 nan 0.000 0.530 164 G N 0.974 109.793 108.800 0.033 0.000 2.422 164 G HA2 -0.306 3.698 3.960 0.073 0.000 0.218 164 G HA3 -0.306 3.698 3.960 0.073 0.000 0.218 164 G C 1.332 175.978 174.900 -0.424 0.000 1.146 164 G CA 1.166 46.110 45.100 -0.259 0.000 0.769 164 G HN 0.347 nan 8.290 nan 0.000 0.547 165 L N -0.543 120.463 121.223 -0.362 0.000 1.976 165 L HA 0.065 4.448 4.340 0.073 0.000 0.209 165 L C 2.513 179.007 176.870 -0.627 0.000 1.071 165 L CA 1.719 56.231 54.840 -0.546 0.000 0.746 165 L CB -0.808 40.795 42.059 -0.760 0.000 0.890 165 L HN 0.419 nan 8.230 nan 0.000 0.432 166 W N -0.377 120.779 121.300 -0.240 0.000 2.476 166 W HA -0.024 4.679 4.660 0.072 0.000 0.281 166 W C 2.510 178.820 176.519 -0.348 0.000 1.230 166 W CA 0.455 57.672 57.345 -0.214 0.000 1.287 166 W CB -0.223 29.177 29.460 -0.100 0.000 1.108 166 W HN 0.203 nan 8.180 nan 0.000 0.567 167 E N 1.479 121.404 120.200 -0.459 0.000 2.149 167 E HA -0.308 4.086 4.350 0.073 0.000 0.215 167 E C 1.563 177.853 176.600 -0.517 0.000 1.055 167 E CA 2.262 58.216 56.400 -0.743 0.000 0.870 167 E CB -0.101 28.776 29.700 -1.371 0.000 0.764 167 E HN 0.378 nan 8.360 nan 0.000 0.463 168 K N -1.149 118.881 120.400 -0.616 0.000 2.214 168 K HA 0.167 4.531 4.320 0.073 0.000 0.201 168 K C 2.137 178.486 176.600 -0.418 0.000 1.049 168 K CA 0.570 56.424 56.287 -0.721 0.000 0.978 168 K CB 0.047 31.593 32.500 -1.590 0.000 0.842 168 K HN 0.051 nan 8.250 nan 0.000 0.474 169 A N 1.860 124.538 122.820 -0.237 0.000 1.969 169 A HA -0.042 4.322 4.320 0.073 0.000 0.218 169 A C 2.344 179.946 177.584 0.030 0.000 1.169 169 A CA 1.663 53.754 52.037 0.090 0.000 0.635 169 A CB -0.570 18.445 19.000 0.025 0.000 0.810 169 A HN 0.293 nan 8.150 nan 0.000 0.445 170 A N 0.719 123.534 122.820 -0.009 0.000 1.845 170 A HA -0.066 4.298 4.320 0.073 0.000 0.215 170 A C 0.432 177.845 177.584 -0.285 0.000 1.195 170 A CA 1.792 53.785 52.037 -0.073 0.000 0.616 170 A CB -1.627 17.348 19.000 -0.041 0.000 0.832 170 A HN 0.486 nan 8.150 nan 0.000 0.443 171 P HA -0.124 nan 4.420 nan 0.000 0.217 171 P C 1.603 178.631 177.300 -0.455 0.000 1.150 171 P CA 1.979 64.813 63.100 -0.443 0.000 0.832 171 P CB -0.206 31.286 31.700 -0.346 0.000 0.787 172 A N 0.340 122.723 122.820 -0.730 0.000 1.858 172 A HA -0.149 4.215 4.320 0.073 0.000 0.216 172 A C 2.435 179.767 177.584 -0.419 0.000 1.190 172 A CA 1.608 53.025 52.037 -1.033 0.000 0.617 172 A CB -1.634 17.043 19.000 -0.539 0.000 0.827 172 A HN 0.131 nan 8.150 nan 0.000 0.443 173 L N -1.095 120.006 121.223 -0.203 0.000 2.093 173 L HA -0.118 4.266 4.340 0.073 0.000 0.208 173 L C 2.498 179.319 176.870 -0.082 0.000 1.085 173 L CA 0.818 55.597 54.840 -0.102 0.000 0.755 173 L CB -0.502 41.551 42.059 -0.010 0.000 0.904 173 L HN 0.441 nan 8.230 nan 0.000 0.435 174 L N -0.513 120.680 121.223 -0.051 0.000 2.079 174 L HA -0.181 4.203 4.340 0.073 0.000 0.210 174 L C 2.402 179.316 176.870 0.073 0.000 1.081 174 L CA 1.756 56.623 54.840 0.045 0.000 0.752 174 L CB -0.523 41.609 42.059 0.123 0.000 0.896 174 L HN 0.074 nan 8.230 nan 0.000 0.433 175 S N -0.293 115.431 115.700 0.039 0.000 2.515 175 S HA 0.202 4.715 4.470 0.073 0.000 0.231 175 S C 1.332 175.830 174.600 -0.171 0.000 0.987 175 S CA 0.688 58.934 58.200 0.077 0.000 0.936 175 S CB -0.369 62.865 63.200 0.058 0.000 0.766 175 S HN 0.823 nan 8.310 nan 0.000 0.528 176 G N 0.840 109.530 108.800 -0.184 0.000 2.132 176 G HA2 -0.214 3.789 3.960 0.073 0.000 0.228 176 G HA3 -0.214 3.789 3.960 0.073 0.000 0.228 176 G C -0.103 174.704 174.900 -0.155 0.000 1.000 176 G CA -0.040 44.947 45.100 -0.187 0.000 0.693 176 G HN 0.399 nan 8.290 nan 0.000 0.515 177 V N 2.334 122.155 119.914 -0.155 0.000 2.370 177 V HA 0.517 4.680 4.120 0.073 0.000 0.283 177 V C -1.458 174.557 176.094 -0.130 0.000 1.023 177 V CA -1.747 60.482 62.300 -0.120 0.000 0.857 177 V CB 1.857 33.652 31.823 -0.045 0.000 0.985 177 V HN 0.216 nan 8.190 nan 0.000 0.443 178 P HA 0.160 nan 4.420 nan 0.000 0.271 178 P C -0.711 176.474 177.300 -0.191 0.000 1.216 178 P CA 0.066 63.085 63.100 -0.134 0.000 0.776 178 P CB 1.260 32.884 31.700 -0.127 0.000 0.881 179 V N 4.954 124.742 119.914 -0.209 0.000 2.459 179 V HA 0.367 4.531 4.120 0.073 0.000 0.295 179 V C 0.496 176.393 176.094 -0.329 0.000 1.029 179 V CA -0.541 61.557 62.300 -0.337 0.000 0.874 179 V CB 1.329 33.020 31.823 -0.219 0.000 0.985 179 V HN 0.368 nan 8.190 nan 0.000 0.438 180 I N 5.302 125.610 120.570 -0.438 0.000 2.382 180 I HA 0.413 4.627 4.170 0.073 0.000 0.285 180 I C -0.386 175.560 176.117 -0.285 0.000 1.007 180 I CA -0.656 60.432 61.300 -0.352 0.000 1.142 180 I CB 1.835 39.549 38.000 -0.478 0.000 1.289 180 I HN 0.362 nan 8.210 nan 0.000 0.453 181 V N 7.404 127.232 119.914 -0.144 0.000 2.481 181 V HA 0.431 4.595 4.120 0.073 0.000 0.286 181 V C -0.187 175.920 176.094 0.022 0.000 1.042 181 V CA -0.243 62.054 62.300 -0.006 0.000 0.928 181 V CB 1.563 33.402 31.823 0.027 0.000 0.986 181 V HN 0.617 nan 8.190 nan 0.000 0.462 182 K N 8.483 128.930 120.400 0.079 0.000 2.592 182 K HA 0.481 4.845 4.320 0.073 0.000 0.212 182 K C -2.844 173.820 176.600 0.106 0.000 1.013 182 K CA -2.088 54.254 56.287 0.092 0.000 1.034 182 K CB 1.718 34.286 32.500 0.113 0.000 1.292 182 K HN 0.503 nan 8.250 nan 0.000 0.521 183 P HA 0.117 nan 4.420 nan 0.000 0.274 183 P C -0.444 176.926 177.300 0.116 0.000 1.231 183 P CA -0.424 62.733 63.100 0.094 0.000 0.790 183 P CB 0.770 32.522 31.700 0.087 0.000 0.951 184 A N 2.639 125.537 122.820 0.130 0.000 2.540 184 A HA 0.087 4.451 4.320 0.073 0.000 0.239 184 A C 1.735 179.410 177.584 0.153 0.000 1.061 184 A CA 0.406 52.539 52.037 0.161 0.000 0.758 184 A CB -0.935 18.199 19.000 0.223 0.000 0.991 184 A HN 0.602 nan 8.150 nan 0.000 0.502 185 T N 2.810 117.443 114.554 0.131 0.000 2.635 185 T HA -0.227 4.167 4.350 0.073 0.000 0.267 185 T C 2.247 177.005 174.700 0.098 0.000 1.040 185 T CA 2.413 64.574 62.100 0.103 0.000 1.156 185 T CB -0.405 68.511 68.868 0.079 0.000 0.863 185 T HN 0.970 nan 8.240 nan 0.000 0.430 186 A N 1.094 123.967 122.820 0.089 0.000 1.978 186 A HA -0.095 4.269 4.320 0.073 0.000 0.220 186 A C 2.188 179.821 177.584 0.082 0.000 1.170 186 A CA 2.076 54.141 52.037 0.047 0.000 0.636 186 A CB -0.651 18.329 19.000 -0.033 0.000 0.810 186 A HN 0.634 nan 8.150 nan 0.000 0.448 187 T N -4.792 109.841 114.554 0.132 0.000 3.296 187 T HA 0.603 4.996 4.350 0.073 0.000 0.285 187 T C 1.071 175.880 174.700 0.182 0.000 1.014 187 T CA 0.567 62.763 62.100 0.160 0.000 0.920 187 T CB 0.411 69.377 68.868 0.164 0.000 1.143 187 T HN 0.467 nan 8.240 nan 0.000 0.522 188 A N 0.415 123.342 122.820 0.178 0.000 2.125 188 A HA 0.041 4.405 4.320 0.073 0.000 0.219 188 A C 1.815 179.545 177.584 0.244 0.000 1.156 188 A CA 0.748 52.891 52.037 0.177 0.000 0.671 188 A CB -0.904 18.185 19.000 0.149 0.000 0.794 188 A HN 0.738 nan 8.150 nan 0.000 0.459 189 W N 0.522 121.855 121.300 0.055 0.000 2.335 189 W HA -0.186 4.517 4.660 0.072 0.000 0.311 189 W C 1.668 178.222 176.519 0.057 0.000 1.213 189 W CA 1.588 58.966 57.345 0.055 0.000 1.274 189 W CB -0.915 28.575 29.460 0.050 0.000 1.148 189 W HN 0.323 nan 8.180 nan 0.000 0.498 190 L N 0.887 122.154 121.223 0.073 0.000 2.042 190 L HA -0.198 4.186 4.340 0.073 0.000 0.210 190 L C 2.349 179.194 176.870 -0.041 0.000 1.076 190 L CA 2.954 57.737 54.840 -0.094 0.000 0.749 190 L CB -1.374 40.627 42.059 -0.096 0.000 0.893 190 L HN -0.051 nan 8.230 nan 0.000 0.432 191 T N -0.785 113.785 114.554 0.026 0.000 2.684 191 T HA -0.249 4.145 4.350 0.073 0.000 0.267 191 T C 1.778 176.512 174.700 0.058 0.000 1.036 191 T CA 1.603 63.705 62.100 0.003 0.000 1.148 191 T CB -0.313 68.564 68.868 0.015 0.000 0.863 191 T HN 0.418 nan 8.240 nan 0.000 0.436 192 Q N 0.802 120.689 119.800 0.145 0.000 2.084 192 Q HA -0.131 4.253 4.340 0.073 0.000 0.202 192 Q C 2.514 178.644 176.000 0.217 0.000 0.978 192 Q CA 1.475 57.407 55.803 0.215 0.000 0.844 192 Q CB -0.143 28.755 28.738 0.267 0.000 0.898 192 Q HN 0.275 nan 8.270 nan 0.000 0.426 193 R N 0.186 120.794 120.500 0.181 0.000 2.066 193 R HA -0.020 4.363 4.340 0.073 0.000 0.232 193 R C 2.356 178.762 176.300 0.176 0.000 1.131 193 R CA 1.766 57.964 56.100 0.163 0.000 0.955 193 R CB -0.491 29.863 30.300 0.090 0.000 0.851 193 R HN 0.275 nan 8.270 nan 0.000 0.432 194 M N -0.655 118.990 119.600 0.076 0.000 2.080 194 M HA -0.185 4.339 4.480 0.073 0.000 0.260 194 M C 2.101 178.547 176.300 0.242 0.000 1.068 194 M CA 1.769 57.137 55.300 0.113 0.000 1.109 194 M CB -0.250 32.379 32.600 0.048 0.000 1.342 194 M HN 0.018 nan 8.290 nan 0.000 0.405 195 V N 0.382 120.408 119.914 0.186 0.000 2.287 195 V HA -0.288 3.876 4.120 0.073 0.000 0.248 195 V C 2.625 178.888 176.094 0.282 0.000 1.053 195 V CA 2.050 64.468 62.300 0.197 0.000 1.027 195 V CB -1.311 30.590 31.823 0.131 0.000 0.646 195 V HN 0.545 nan 8.190 nan 0.000 0.447 196 A N 0.025 123.055 122.820 0.349 0.000 1.883 196 A HA -0.291 4.072 4.320 0.073 0.000 0.217 196 A C 2.010 179.725 177.584 0.218 0.000 1.186 196 A CA 2.227 54.461 52.037 0.329 0.000 0.624 196 A CB -0.727 18.293 19.000 0.034 0.000 0.822 196 A HN 0.555 nan 8.150 nan 0.000 0.444 197 D N -0.391 120.129 120.400 0.201 0.000 2.117 197 D HA -0.104 4.579 4.640 0.073 0.000 0.197 197 D C 2.092 178.495 176.300 0.171 0.000 0.987 197 D CA 1.488 55.596 54.000 0.179 0.000 0.829 197 D CB -0.515 40.428 40.800 0.238 0.000 0.961 197 D HN 0.223 nan 8.370 nan 0.000 0.460 198 V N 0.662 120.699 119.914 0.205 0.000 2.307 198 V HA -0.191 3.973 4.120 0.073 0.000 0.245 198 V C 2.671 178.845 176.094 0.133 0.000 1.045 198 V CA 0.968 63.375 62.300 0.179 0.000 1.024 198 V CB -0.388 31.589 31.823 0.256 0.000 0.651 198 V HN 0.045 nan 8.190 nan 0.000 0.449 199 V N 0.207 120.198 119.914 0.128 0.000 2.295 199 V HA -0.281 3.883 4.120 0.073 0.000 0.246 199 V C 2.310 178.471 176.094 0.112 0.000 1.049 199 V CA 2.286 64.617 62.300 0.051 0.000 1.024 199 V CB -0.761 30.984 31.823 -0.131 0.000 0.648 199 V HN 0.545 nan 8.190 nan 0.000 0.447 200 D N 0.438 120.936 120.400 0.163 0.000 2.158 200 D HA -0.165 4.518 4.640 0.073 0.000 0.197 200 D C 2.082 178.439 176.300 0.094 0.000 0.995 200 D CA 1.716 55.794 54.000 0.130 0.000 0.846 200 D CB -0.281 40.573 40.800 0.090 0.000 0.941 200 D HN 0.484 nan 8.370 nan 0.000 0.456 201 A N -0.285 122.588 122.820 0.087 0.000 2.119 201 A HA 0.303 4.667 4.320 0.073 0.000 0.216 201 A C 1.854 179.474 177.584 0.061 0.000 1.152 201 A CA 1.281 53.358 52.037 0.067 0.000 0.708 201 A CB -0.361 18.678 19.000 0.065 0.000 0.805 201 A HN 0.275 nan 8.150 nan 0.000 0.460 202 G N -0.655 108.186 108.800 0.067 0.000 2.198 202 G HA2 -0.294 3.710 3.960 0.073 0.000 0.260 202 G HA3 -0.294 3.710 3.960 0.073 0.000 0.260 202 G C 0.694 175.623 174.900 0.049 0.000 1.025 202 G CA 0.607 45.743 45.100 0.060 0.000 0.769 202 G HN 0.459 nan 8.290 nan 0.000 0.507 203 I N -0.714 119.886 120.570 0.050 0.000 2.252 203 I HA 0.052 4.265 4.170 0.073 0.000 0.245 203 I C 1.674 177.813 176.117 0.037 0.000 1.102 203 I CA 1.037 62.361 61.300 0.040 0.000 1.385 203 I CB -0.114 37.910 38.000 0.040 0.000 1.064 203 I HN 0.215 nan 8.210 nan 0.000 0.414 204 L N 1.266 122.517 121.223 0.047 0.000 2.344 204 L HA 0.379 4.763 4.340 0.073 0.000 0.272 204 L C -2.133 174.761 176.870 0.040 0.000 1.035 204 L CA -2.077 52.787 54.840 0.040 0.000 0.807 204 L CB 0.411 42.500 42.059 0.050 0.000 1.237 204 L HN -0.126 nan 8.230 nan 0.000 0.442 205 P HA 0.180 nan 4.420 nan 0.000 0.272 205 P C -2.612 174.724 177.300 0.060 0.000 1.223 205 P CA -1.354 61.764 63.100 0.030 0.000 0.784 205 P CB -0.399 31.299 31.700 -0.004 0.000 0.923 206 P HA 0.060 nan 4.420 nan 0.000 0.262 206 P C 1.080 178.508 177.300 0.214 0.000 1.182 206 P CA 1.415 64.641 63.100 0.210 0.000 0.761 206 P CB -0.165 31.702 31.700 0.277 0.000 0.795 207 G N 2.686 111.667 108.800 0.302 0.000 2.232 207 G HA2 -0.309 3.695 3.960 0.073 0.000 0.226 207 G HA3 -0.309 3.695 3.960 0.073 0.000 0.226 207 G C 1.181 176.097 174.900 0.027 0.000 0.996 207 G CA 0.384 45.600 45.100 0.193 0.000 0.626 207 G HN 0.662 nan 8.290 nan 0.000 0.509 208 A N -0.911 121.919 122.820 0.017 0.000 1.969 208 A HA 0.557 4.921 4.320 0.073 0.000 0.218 208 A C 1.053 178.621 177.584 -0.026 0.000 1.169 208 A CA 1.956 53.980 52.037 -0.021 0.000 0.635 208 A CB 0.038 19.033 19.000 -0.007 0.000 0.810 208 A HN 1.411 nan 8.150 nan 0.000 0.445 209 L N -0.247 120.979 121.223 0.006 0.000 2.482 209 L HA 0.590 4.974 4.340 0.073 0.000 0.269 209 L C -1.002 175.872 176.870 0.007 0.000 0.967 209 L CA 0.032 54.864 54.840 -0.012 0.000 0.851 209 L CB 1.999 44.070 42.059 0.021 0.000 1.242 209 L HN 0.004 nan 8.230 nan 0.000 0.404 210 S N 5.093 120.753 115.700 -0.067 0.000 2.599 210 S HA 0.773 5.286 4.470 0.073 0.000 0.294 210 S C -1.091 173.453 174.600 -0.092 0.000 1.094 210 S CA -0.583 57.564 58.200 -0.088 0.000 0.931 210 S CB 2.078 65.169 63.200 -0.181 0.000 1.093 210 S HN 0.650 nan 8.310 nan 0.000 0.488 211 I N 2.022 122.554 120.570 -0.064 0.000 2.656 211 I HA 0.574 4.788 4.170 0.073 0.000 0.292 211 I C -1.962 174.161 176.117 0.009 0.000 1.144 211 I CA -0.942 60.352 61.300 -0.011 0.000 1.038 211 I CB 1.111 39.148 38.000 0.063 0.000 1.244 211 I HN 0.620 nan 8.210 nan 0.000 0.420 212 I N 6.826 127.410 120.570 0.023 0.000 2.499 212 I HA 0.423 4.636 4.170 0.073 0.000 0.288 212 I C -1.082 175.079 176.117 0.073 0.000 1.048 212 I CA -0.469 60.859 61.300 0.047 0.000 1.062 212 I CB 1.795 39.818 38.000 0.040 0.000 1.238 212 I HN 0.501 nan 8.210 nan 0.000 0.426 213 C N 4.360 123.712 119.300 0.085 0.000 2.563 213 C HA 1.000 5.504 4.460 0.073 0.000 0.314 213 C C 0.717 175.752 174.990 0.074 0.000 1.199 213 C CA -0.284 58.787 59.018 0.088 0.000 1.564 213 C CB 0.666 28.467 27.740 0.101 0.000 2.173 213 C HN 1.139 nan 8.230 nan 0.000 0.485 214 G N 1.364 110.206 108.800 0.071 0.000 2.337 214 G HA2 0.126 4.130 3.960 0.073 0.000 0.197 214 G HA3 0.126 4.130 3.960 0.073 0.000 0.197 214 G C -0.267 174.671 174.900 0.062 0.000 1.238 214 G CA -0.045 45.090 45.100 0.058 0.000 1.119 214 G HN 1.197 nan 8.290 nan 0.000 0.514 215 S N -0.417 115.314 115.700 0.052 0.000 2.558 215 S HA 0.396 4.910 4.470 0.073 0.000 0.288 215 S C 1.557 176.192 174.600 0.059 0.000 1.318 215 S CA 1.003 59.234 58.200 0.051 0.000 1.056 215 S CB 0.840 64.064 63.200 0.039 0.000 0.853 215 S HN 1.309 nan 8.310 nan 0.000 0.505 216 S N 3.257 118.994 115.700 0.061 0.000 2.562 216 S HA 0.262 4.776 4.470 0.073 0.000 0.221 216 S C 0.804 175.428 174.600 0.040 0.000 0.975 216 S CA 0.244 58.482 58.200 0.063 0.000 0.918 216 S CB -0.431 62.811 63.200 0.070 0.000 0.772 216 S HN 0.950 nan 8.310 nan 0.000 0.531 217 A N 0.668 123.508 122.820 0.033 0.000 2.580 217 A HA 0.412 4.775 4.320 0.073 0.000 0.244 217 A C 1.536 179.124 177.584 0.006 0.000 1.045 217 A CA 0.706 52.755 52.037 0.020 0.000 0.761 217 A CB -0.745 18.267 19.000 0.020 0.000 0.962 217 A HN 0.963 nan 8.150 nan 0.000 0.512 218 G N 1.257 110.049 108.800 -0.014 0.000 2.199 218 G HA2 -0.284 3.720 3.960 0.073 0.000 0.254 218 G HA3 -0.284 3.720 3.960 0.073 0.000 0.254 218 G C 0.841 175.669 174.900 -0.120 0.000 0.982 218 G CA 0.574 45.644 45.100 -0.050 0.000 0.632 218 G HN 0.749 nan 8.290 nan 0.000 0.529 219 L N 0.033 121.203 121.223 -0.088 0.000 2.005 219 L HA 0.110 4.494 4.340 0.073 0.000 0.207 219 L C 2.978 179.666 176.870 -0.302 0.000 1.072 219 L CA 1.566 56.340 54.840 -0.111 0.000 0.744 219 L CB -0.537 41.572 42.059 0.083 0.000 0.895 219 L HN 0.291 nan 8.230 nan 0.000 0.433 220 L N -0.415 120.618 121.223 -0.317 0.000 2.131 220 L HA -0.212 4.172 4.340 0.073 0.000 0.210 220 L C 2.090 178.658 176.870 -0.503 0.000 1.092 220 L CA 0.795 55.289 54.840 -0.577 0.000 0.759 220 L CB -0.691 40.703 42.059 -1.109 0.000 0.903 220 L HN 0.288 nan 8.230 nan 0.000 0.435 221 D N -0.240 119.997 120.400 -0.272 0.000 2.221 221 D HA -0.178 4.506 4.640 0.073 0.000 0.204 221 D C 2.181 178.326 176.300 -0.258 0.000 0.982 221 D CA 0.974 54.906 54.000 -0.112 0.000 0.857 221 D CB -0.027 40.733 40.800 -0.068 0.000 0.934 221 D HN 0.309 nan 8.370 nan 0.000 0.475 222 Q N -0.266 119.235 119.800 -0.498 0.000 2.425 222 Q HA 0.069 4.453 4.340 0.073 0.000 0.204 222 Q C 0.545 176.218 176.000 -0.545 0.000 0.933 222 Q CA -0.003 55.388 55.803 -0.687 0.000 0.939 222 Q CB 0.775 28.660 28.738 -1.421 0.000 1.044 222 Q HN 0.300 nan 8.270 nan 0.000 0.513 223 I N 2.180 122.499 120.570 -0.419 0.000 2.496 223 I HA 0.062 4.276 4.170 0.073 0.000 0.285 223 I C 0.673 176.678 176.117 -0.186 0.000 1.080 223 I CA 0.441 61.605 61.300 -0.226 0.000 1.404 223 I CB 0.387 38.228 38.000 -0.265 0.000 1.403 223 I HN -0.032 nan 8.210 nan 0.000 0.539 224 R N 2.860 123.296 120.500 -0.106 0.000 2.960 224 R HA 0.315 4.698 4.340 0.073 0.000 0.249 224 R C 1.275 177.479 176.300 -0.161 0.000 1.192 224 R CA -0.460 55.571 56.100 -0.116 0.000 1.035 224 R CB 1.073 31.344 30.300 -0.048 0.000 1.234 224 R HN 0.650 nan 8.270 nan 0.000 0.493 225 S N -0.224 115.299 115.700 -0.294 0.000 2.442 225 S HA -0.091 4.423 4.470 0.073 0.000 0.236 225 S C 1.041 175.283 174.600 -0.597 0.000 1.007 225 S CA 1.182 59.077 58.200 -0.508 0.000 0.965 225 S CB -0.141 62.609 63.200 -0.751 0.000 0.773 225 S HN 0.507 nan 8.310 nan 0.000 0.504 226 F N 1.598 121.534 119.950 -0.024 0.000 2.664 226 F HA 0.449 5.016 4.527 0.067 0.000 0.303 226 F C 0.382 176.157 175.800 -0.041 0.000 1.092 226 F CA -1.232 56.749 58.000 -0.031 0.000 1.305 226 F CB -0.133 38.849 39.000 -0.029 0.000 1.054 226 F HN 0.038 nan 8.300 nan 0.000 0.565 227 D N 0.565 121.006 120.400 0.068 0.000 2.354 227 D HA 0.429 5.112 4.640 0.073 0.000 0.247 227 D C 0.028 176.332 176.300 0.006 0.000 1.138 227 D CA 0.067 54.096 54.000 0.049 0.000 0.958 227 D CB 2.030 42.869 40.800 0.066 0.000 1.144 227 D HN -0.039 nan 8.370 nan 0.000 0.458 228 V N -2.256 117.656 119.914 -0.003 0.000 2.876 228 V HA 0.778 4.941 4.120 0.073 0.000 0.312 228 V C -0.756 175.451 176.094 0.190 0.000 1.085 228 V CA -0.777 61.489 62.300 -0.057 0.000 0.945 228 V CB 1.948 33.414 31.823 -0.595 0.000 1.017 228 V HN 0.232 nan 8.190 nan 0.000 0.428 229 V N 2.616 122.756 119.914 0.376 0.000 2.638 229 V HA 0.709 4.873 4.120 0.073 0.000 0.306 229 V C -0.116 176.268 176.094 0.484 0.000 1.052 229 V CA -0.154 62.405 62.300 0.432 0.000 0.885 229 V CB 1.918 34.029 31.823 0.480 0.000 0.999 229 V HN 1.139 nan 8.190 nan 0.000 0.424 230 S N 4.613 120.609 115.700 0.493 0.000 2.566 230 S HA 0.680 5.194 4.470 0.073 0.000 0.324 230 S C -1.220 173.544 174.600 0.273 0.000 1.081 230 S CA -0.396 57.991 58.200 0.312 0.000 1.105 230 S CB 0.435 63.782 63.200 0.246 0.000 0.981 230 S HN 0.580 nan 8.310 nan 0.000 0.464 231 F N 4.326 124.300 119.950 0.041 0.000 2.443 231 F HA 0.680 5.245 4.527 0.065 0.000 0.335 231 F C -0.293 175.494 175.800 -0.021 0.000 1.104 231 F CA -0.203 57.810 58.000 0.020 0.000 1.013 231 F CB 1.872 40.870 39.000 -0.004 0.000 1.136 231 F HN 0.426 nan 8.300 nan 0.000 0.470 232 T N 4.789 118.753 114.554 -0.984 0.000 2.840 232 T HA 0.779 5.173 4.350 0.073 0.000 0.287 232 T C -0.099 173.847 174.700 -1.256 0.000 0.991 232 T CA -0.192 61.404 62.100 -0.840 0.000 0.964 232 T CB 1.099 69.752 68.868 -0.359 0.000 0.954 232 T HN 1.132 nan 8.240 nan 0.000 0.438 233 G N 2.037 110.285 108.800 -0.920 0.000 2.441 233 G HA2 0.379 4.383 3.960 0.073 0.000 0.222 233 G HA3 0.379 4.383 3.960 0.073 0.000 0.222 233 G C -0.526 174.312 174.900 -0.103 0.000 1.254 233 G CA -0.248 44.537 45.100 -0.525 0.000 0.959 233 G HN 1.000 nan 8.290 nan 0.000 0.474 234 S N 0.323 116.080 115.700 0.094 0.000 2.585 234 S HA 0.568 5.082 4.470 0.073 0.000 0.273 234 S C 1.735 176.436 174.600 0.168 0.000 1.339 234 S CA 0.935 59.185 58.200 0.083 0.000 1.028 234 S CB 1.496 64.732 63.200 0.060 0.000 0.906 234 S HN 2.130 nan 8.310 nan 0.000 0.528 235 A N 1.752 124.620 122.820 0.080 0.000 1.933 235 A HA -0.096 4.268 4.320 0.073 0.000 0.218 235 A C 1.761 179.364 177.584 0.032 0.000 1.175 235 A CA 1.808 53.880 52.037 0.059 0.000 0.628 235 A CB -1.121 17.897 19.000 0.030 0.000 0.814 235 A HN 0.883 nan 8.150 nan 0.000 0.444 236 D N -0.550 119.868 120.400 0.029 0.000 2.092 236 D HA -0.098 4.585 4.640 0.073 0.000 0.193 236 D C 2.073 178.360 176.300 -0.022 0.000 0.994 236 D CA 1.979 55.984 54.000 0.008 0.000 0.828 236 D CB -0.689 40.122 40.800 0.018 0.000 0.963 236 D HN 0.398 nan 8.370 nan 0.000 0.450 237 T N 0.442 114.988 114.554 -0.012 0.000 2.777 237 T HA -0.091 4.303 4.350 0.073 0.000 0.266 237 T C 1.987 176.470 174.700 -0.360 0.000 1.040 237 T CA 1.413 63.440 62.100 -0.122 0.000 1.141 237 T CB -0.385 68.482 68.868 -0.002 0.000 0.868 237 T HN 0.192 nan 8.240 nan 0.000 0.444 238 A N 1.671 124.298 122.820 -0.322 0.000 1.917 238 A HA -0.005 4.359 4.320 0.073 0.000 0.219 238 A C 2.651 180.105 177.584 -0.217 0.000 1.182 238 A CA 2.095 53.918 52.037 -0.356 0.000 0.633 238 A CB -1.197 17.800 19.000 -0.005 0.000 0.819 238 A HN 0.526 nan 8.150 nan 0.000 0.448 239 A N -1.290 121.461 122.820 -0.115 0.000 1.902 239 A HA -0.081 4.283 4.320 0.073 0.000 0.217 239 A C 2.311 179.856 177.584 -0.064 0.000 1.181 239 A CA 2.316 54.310 52.037 -0.070 0.000 0.623 239 A CB -1.274 17.703 19.000 -0.037 0.000 0.818 239 A HN 0.451 nan 8.150 nan 0.000 0.443 240 T N 0.273 114.780 114.554 -0.079 0.000 2.708 240 T HA -0.130 4.264 4.350 0.073 0.000 0.266 240 T C 1.771 176.459 174.700 -0.020 0.000 1.037 240 T CA 1.620 63.693 62.100 -0.045 0.000 1.146 240 T CB -0.373 68.466 68.868 -0.049 0.000 0.865 240 T HN 0.225 nan 8.240 nan 0.000 0.435 241 L N 0.934 122.091 121.223 -0.109 0.000 2.012 241 L HA -0.056 4.328 4.340 0.073 0.000 0.210 241 L C 2.603 179.527 176.870 0.089 0.000 1.073 241 L CA 1.682 56.504 54.840 -0.031 0.000 0.748 241 L CB -0.592 41.312 42.059 -0.258 0.000 0.891 241 L HN 0.150 nan 8.230 nan 0.000 0.431 242 R N -1.057 119.407 120.500 -0.059 0.000 2.159 242 R HA -0.128 4.256 4.340 0.073 0.000 0.237 242 R C 2.103 178.479 176.300 0.126 0.000 1.131 242 R CA 1.141 57.218 56.100 -0.038 0.000 0.982 242 R CB -0.497 29.753 30.300 -0.083 0.000 0.868 242 R HN 0.398 nan 8.270 nan 0.000 0.453 243 A N 0.479 123.365 122.820 0.109 0.000 2.119 243 A HA -0.087 4.276 4.320 0.073 0.000 0.216 243 A C 0.679 178.333 177.584 0.117 0.000 1.152 243 A CA 0.202 52.292 52.037 0.088 0.000 0.708 243 A CB -0.426 18.596 19.000 0.038 0.000 0.805 243 A HN 0.244 nan 8.150 nan 0.000 0.460 244 H N 0.358 119.510 119.070 0.136 0.000 2.848 244 H HA 0.085 4.683 4.556 0.071 0.000 0.341 244 H C -1.740 173.577 175.328 -0.018 0.000 1.060 244 H CA -1.273 54.809 56.048 0.056 0.000 1.444 244 H CB 1.101 30.892 29.762 0.048 0.000 1.446 244 H HN 0.009 nan 8.280 nan 0.000 0.583 245 P HA -0.194 nan 4.420 nan 0.000 0.217 245 P C 1.138 178.373 177.300 -0.107 0.000 1.148 245 P CA 2.053 65.032 63.100 -0.201 0.000 0.834 245 P CB 0.015 31.534 31.700 -0.302 0.000 0.783 246 A N -1.720 121.087 122.820 -0.021 0.000 1.948 246 A HA -0.215 4.149 4.320 0.073 0.000 0.220 246 A C 1.694 178.968 177.584 -0.516 0.000 1.177 246 A CA 1.841 53.644 52.037 -0.389 0.000 0.636 246 A CB -1.512 17.020 19.000 -0.780 0.000 0.815 246 A HN 0.162 nan 8.150 nan 0.000 0.449 247 F N -0.998 118.991 119.950 0.066 0.000 2.419 247 F HA 0.062 4.636 4.527 0.077 0.000 0.283 247 F C 2.422 178.223 175.800 0.002 0.000 1.044 247 F CA 0.840 58.854 58.000 0.023 0.000 1.376 247 F CB -0.874 38.146 39.000 0.033 0.000 1.131 247 F HN 0.093 nan 8.300 nan 0.000 0.585 248 V N -0.968 119.041 119.914 0.160 0.000 2.453 248 V HA -0.182 3.981 4.120 0.073 0.000 0.247 248 V C 1.674 177.778 176.094 0.015 0.000 1.048 248 V CA 1.846 64.191 62.300 0.075 0.000 1.049 248 V CB -0.900 30.952 31.823 0.049 0.000 0.672 248 V HN 0.428 nan 8.190 nan 0.000 0.457 249 Q N -0.159 119.627 119.800 -0.022 0.000 2.304 249 Q HA 0.217 4.601 4.340 0.073 0.000 0.204 249 Q C 2.328 178.291 176.000 -0.062 0.000 0.936 249 Q CA 0.614 56.389 55.803 -0.047 0.000 0.878 249 Q CB 0.122 28.819 28.738 -0.070 0.000 0.983 249 Q HN 0.548 nan 8.270 nan 0.000 0.516 250 R N -0.211 120.238 120.500 -0.085 0.000 2.290 250 R HA 0.147 4.531 4.340 0.073 0.000 0.197 250 R C 0.753 176.981 176.300 -0.120 0.000 0.913 250 R CA 0.612 56.640 56.100 -0.121 0.000 1.040 250 R CB 0.649 30.856 30.300 -0.155 0.000 0.992 250 R HN 0.351 nan 8.270 nan 0.000 0.500 251 G N 1.379 110.150 108.800 -0.049 0.000 2.153 251 G HA2 -0.337 3.667 3.960 0.073 0.000 0.252 251 G HA3 -0.337 3.667 3.960 0.073 0.000 0.252 251 G C 0.307 175.218 174.900 0.017 0.000 0.994 251 G CA 0.197 45.295 45.100 -0.003 0.000 0.698 251 G HN 0.530 nan 8.290 nan 0.000 0.521 252 A N -0.194 122.642 122.820 0.027 0.000 2.507 252 A HA 0.570 4.934 4.320 0.073 0.000 0.235 252 A C 0.996 178.734 177.584 0.256 0.000 1.070 252 A CA 0.359 52.444 52.037 0.081 0.000 0.768 252 A CB 0.246 19.252 19.000 0.009 0.000 1.011 252 A HN 0.611 nan 8.150 nan 0.000 0.502 253 R N -0.295 120.288 120.500 0.139 0.000 2.543 253 R HA 0.414 4.797 4.340 0.073 0.000 0.277 253 R C -0.977 175.478 176.300 0.257 0.000 1.074 253 R CA -0.341 55.840 56.100 0.134 0.000 1.076 253 R CB 0.497 30.744 30.300 -0.088 0.000 0.993 253 R HN 0.510 nan 8.270 nan 0.000 0.459 254 L N 2.533 123.857 121.223 0.168 0.000 2.439 254 L HA 0.322 4.706 4.340 0.073 0.000 0.270 254 L C -1.092 175.812 176.870 0.057 0.000 0.972 254 L CA -0.293 54.548 54.840 0.002 0.000 0.836 254 L CB 1.804 43.482 42.059 -0.634 0.000 1.255 254 L HN 0.557 nan 8.230 nan 0.000 0.404 255 N N 4.115 122.853 118.700 0.063 0.000 2.400 255 N HA 0.551 5.334 4.740 0.073 0.000 0.288 255 N C -1.631 173.842 175.510 -0.062 0.000 1.024 255 N CA -0.281 52.687 53.050 -0.137 0.000 0.894 255 N CB 1.981 40.154 38.487 -0.522 0.000 1.173 255 N HN 0.466 nan 8.380 nan 0.000 0.487 256 V N 3.143 123.023 119.914 -0.056 0.000 2.495 256 V HA 0.311 4.474 4.120 0.073 0.000 0.298 256 V C -0.454 175.616 176.094 -0.041 0.000 1.031 256 V CA -0.760 61.557 62.300 0.030 0.000 0.871 256 V CB 1.637 33.493 31.823 0.055 0.000 0.988 256 V HN 0.712 nan 8.190 nan 0.000 0.432 257 E N 4.292 124.457 120.200 -0.059 0.000 2.185 257 E HA 0.843 5.236 4.350 0.073 0.000 0.261 257 E C -0.533 176.017 176.600 -0.083 0.000 0.879 257 E CA -0.628 55.713 56.400 -0.099 0.000 0.756 257 E CB 2.240 31.861 29.700 -0.132 0.000 1.152 257 E HN 0.687 nan 8.360 nan 0.000 0.416 258 A N 3.232 126.029 122.820 -0.039 0.000 2.548 258 A HA 0.444 4.808 4.320 0.073 0.000 0.262 258 A C -0.801 176.774 177.584 -0.015 0.000 1.271 258 A CA -0.938 51.091 52.037 -0.012 0.000 0.839 258 A CB 0.477 19.507 19.000 0.049 0.000 1.381 258 A HN 0.707 nan 8.150 nan 0.000 0.468 259 D N 1.151 121.548 120.400 -0.005 0.000 2.525 259 D HA 0.325 5.009 4.640 0.073 0.000 0.235 259 D C -0.291 176.033 176.300 0.040 0.000 1.137 259 D CA 1.121 55.131 54.000 0.016 0.000 0.868 259 D CB 0.773 41.584 40.800 0.019 0.000 1.180 259 D HN 0.383 nan 8.370 nan 0.000 0.465 260 S N 1.446 117.190 115.700 0.074 0.000 2.689 260 S HA 0.309 4.823 4.470 0.073 0.000 0.274 260 S C -0.923 173.746 174.600 0.114 0.000 1.176 260 S CA -0.775 57.474 58.200 0.082 0.000 1.014 260 S CB 0.367 63.616 63.200 0.081 0.000 1.071 260 S HN 0.214 nan 8.310 nan 0.000 0.478 261 L N 5.444 126.734 121.223 0.113 0.000 2.536 261 L HA 0.366 4.750 4.340 0.073 0.000 0.242 261 L C 0.448 177.421 176.870 0.171 0.000 1.280 261 L CA -0.136 54.782 54.840 0.130 0.000 1.221 261 L CB -0.544 41.593 42.059 0.130 0.000 1.449 261 L HN 0.580 nan 8.230 nan 0.000 0.405 262 N N 0.302 119.112 118.700 0.183 0.000 2.407 262 N HA 0.029 4.813 4.740 0.073 0.000 0.250 262 N C 0.035 175.686 175.510 0.235 0.000 1.236 262 N CA 0.237 53.440 53.050 0.257 0.000 0.879 262 N CB 0.767 39.441 38.487 0.313 0.000 1.088 262 N HN 0.299 nan 8.380 nan 0.000 0.450 263 S N 0.311 116.196 115.700 0.308 0.000 2.608 263 S HA 0.687 5.200 4.470 0.073 0.000 0.291 263 S C -0.152 174.605 174.600 0.262 0.000 1.146 263 S CA -0.853 57.507 58.200 0.266 0.000 1.043 263 S CB 1.766 65.218 63.200 0.420 0.000 1.037 263 S HN 0.693 nan 8.310 nan 0.000 0.520 264 A N 2.148 125.098 122.820 0.216 0.000 2.343 264 A HA 0.788 5.152 4.320 0.073 0.000 0.316 264 A C -0.880 176.976 177.584 0.453 0.000 1.104 264 A CA -0.615 51.650 52.037 0.381 0.000 0.768 264 A CB 0.427 19.573 19.000 0.244 0.000 1.213 264 A HN 0.779 nan 8.150 nan 0.000 0.456 265 I N 2.726 123.589 120.570 0.488 0.000 2.418 265 I HA 0.246 4.460 4.170 0.073 0.000 0.287 265 I C -0.851 175.426 176.117 0.266 0.000 1.008 265 I CA -0.728 60.767 61.300 0.325 0.000 1.104 265 I CB 1.799 39.897 38.000 0.164 0.000 1.264 265 I HN 0.575 nan 8.210 nan 0.000 0.438 266 L N 7.439 128.635 121.223 -0.044 0.000 2.278 266 L HA 0.354 4.738 4.340 0.073 0.000 0.287 266 L C -0.149 176.779 176.870 0.097 0.000 1.072 266 L CA 0.192 54.871 54.840 -0.268 0.000 0.819 266 L CB 0.451 41.976 42.059 -0.890 0.000 1.176 266 L HN 0.651 nan 8.230 nan 0.000 0.435 267 C N 4.097 123.482 119.300 0.142 0.000 2.652 267 C HA 0.322 4.826 4.460 0.073 0.000 0.412 267 C C 2.128 177.213 174.990 0.158 0.000 1.294 267 C CA 0.045 59.184 59.018 0.202 0.000 2.127 267 C CB 0.437 28.297 27.740 0.201 0.000 2.691 267 C HN 1.063 nan 8.230 nan 0.000 0.615 268 A N 2.396 125.324 122.820 0.179 0.000 1.971 268 A HA -0.243 4.121 4.320 0.073 0.000 0.222 268 A C 2.053 179.653 177.584 0.027 0.000 1.182 268 A CA 2.456 54.542 52.037 0.083 0.000 0.649 268 A CB -0.499 18.547 19.000 0.077 0.000 0.818 268 A HN 0.990 nan 8.150 nan 0.000 0.458 269 D N -0.235 120.173 120.400 0.013 0.000 2.317 269 D HA 0.135 4.819 4.640 0.073 0.000 0.211 269 D C 0.981 177.305 176.300 0.038 0.000 0.966 269 D CA 0.863 54.862 54.000 -0.000 0.000 0.876 269 D CB -0.211 40.568 40.800 -0.035 0.000 0.927 269 D HN 0.375 nan 8.370 nan 0.000 0.519 270 A N 1.875 124.740 122.820 0.075 0.000 3.118 270 A HA 0.309 4.673 4.320 0.073 0.000 0.256 270 A C 0.779 178.470 177.584 0.179 0.000 1.667 270 A CA -0.372 51.742 52.037 0.129 0.000 1.338 270 A CB -1.074 18.010 19.000 0.140 0.000 1.127 270 A HN 0.328 nan 8.150 nan 0.000 0.634 271 T N -2.082 112.521 114.554 0.082 0.000 2.828 271 T HA 0.338 4.732 4.350 0.073 0.000 0.290 271 T C -1.696 172.892 174.700 -0.186 0.000 1.019 271 T CA -1.447 60.644 62.100 -0.014 0.000 1.031 271 T CB 0.651 69.484 68.868 -0.059 0.000 1.001 271 T HN 0.128 nan 8.240 nan 0.000 0.531 272 P HA -0.119 nan 4.420 nan 0.000 0.218 272 P C 1.009 178.023 177.300 -0.477 0.000 1.146 272 P CA 1.122 63.532 63.100 -1.149 0.000 0.813 272 P CB -0.076 31.085 31.700 -0.898 0.000 0.778 273 D N -1.703 118.551 120.400 -0.243 0.000 2.328 273 D HA -0.022 4.662 4.640 0.073 0.000 0.226 273 D C 0.206 176.480 176.300 -0.043 0.000 1.066 273 D CA 0.334 54.264 54.000 -0.118 0.000 0.861 273 D CB -0.756 39.990 40.800 -0.090 0.000 0.912 273 D HN 0.173 nan 8.370 nan 0.000 0.521 274 T N -3.106 111.443 114.554 -0.009 0.000 2.888 274 T HA 0.431 4.824 4.350 0.073 0.000 0.284 274 T C -2.118 172.651 174.700 0.116 0.000 1.017 274 T CA -1.870 60.263 62.100 0.055 0.000 1.022 274 T CB 2.407 71.316 68.868 0.068 0.000 1.013 274 T HN -0.385 nan 8.240 nan 0.000 0.465 275 P HA -0.014 nan 4.420 nan 0.000 0.218 275 P C 1.602 178.999 177.300 0.163 0.000 1.148 275 P CA 1.099 64.270 63.100 0.119 0.000 0.822 275 P CB -0.177 31.576 31.700 0.089 0.000 0.784 276 A N -1.402 121.522 122.820 0.175 0.000 2.019 276 A HA -0.187 4.177 4.320 0.073 0.000 0.219 276 A C 2.031 179.768 177.584 0.255 0.000 1.164 276 A CA 1.075 53.240 52.037 0.213 0.000 0.644 276 A CB -1.762 17.356 19.000 0.197 0.000 0.805 276 A HN 0.162 nan 8.150 nan 0.000 0.449 277 F N 0.930 120.940 119.950 0.099 0.000 2.102 277 F HA -0.194 4.378 4.527 0.074 0.000 0.298 277 F C 1.917 177.791 175.800 0.124 0.000 1.105 277 F CA 2.181 60.237 58.000 0.093 0.000 1.239 277 F CB -0.191 38.838 39.000 0.047 0.000 0.991 277 F HN 0.328 nan 8.300 nan 0.000 0.474 278 D N 0.137 120.709 120.400 0.286 0.000 2.144 278 D HA -0.169 4.515 4.640 0.073 0.000 0.199 278 D C 2.252 178.581 176.300 0.049 0.000 0.984 278 D CA 1.359 55.445 54.000 0.144 0.000 0.834 278 D CB -0.242 40.650 40.800 0.153 0.000 0.955 278 D HN 0.379 nan 8.370 nan 0.000 0.465 279 L N -0.491 120.798 121.223 0.111 0.000 2.042 279 L HA -0.149 4.235 4.340 0.073 0.000 0.210 279 L C 2.303 179.206 176.870 0.055 0.000 1.076 279 L CA 1.001 55.922 54.840 0.135 0.000 0.749 279 L CB -0.637 41.566 42.059 0.240 0.000 0.893 279 L HN 0.107 nan 8.230 nan 0.000 0.432 280 F N 0.869 120.665 119.950 -0.256 0.000 2.102 280 F HA -0.236 4.334 4.527 0.072 0.000 0.298 280 F C 2.385 177.847 175.800 -0.563 0.000 1.105 280 F CA 1.436 58.964 58.000 -0.788 0.000 1.239 280 F CB -0.081 38.435 39.000 -0.806 0.000 0.991 280 F HN -0.144 nan 8.300 nan 0.000 0.474 281 I N 0.936 121.206 120.570 -0.499 0.000 2.127 281 I HA -0.310 3.904 4.170 0.073 0.000 0.241 281 I C 2.320 178.202 176.117 -0.392 0.000 1.075 281 I CA 1.613 62.619 61.300 -0.490 0.000 1.334 281 I CB -1.552 36.283 38.000 -0.275 0.000 1.040 281 I HN 0.222 nan 8.210 nan 0.000 0.405 282 K N 0.335 120.590 120.400 -0.241 0.000 2.032 282 K HA -0.249 4.114 4.320 0.073 0.000 0.209 282 K C 2.119 178.605 176.600 -0.191 0.000 1.048 282 K CA 1.761 57.950 56.287 -0.164 0.000 0.927 282 K CB -0.150 32.308 32.500 -0.071 0.000 0.712 282 K HN 0.147 nan 8.250 nan 0.000 0.441 283 E N 0.491 120.565 120.200 -0.210 0.000 2.072 283 E HA -0.122 4.272 4.350 0.073 0.000 0.191 283 E C 1.801 178.221 176.600 -0.301 0.000 0.985 283 E CA 0.772 57.075 56.400 -0.162 0.000 0.801 283 E CB 0.034 29.757 29.700 0.039 0.000 0.750 283 E HN 0.003 nan 8.360 nan 0.000 0.452 284 V N -0.358 119.243 119.914 -0.522 0.000 2.295 284 V HA -0.254 3.909 4.120 0.073 0.000 0.246 284 V C 2.288 178.170 176.094 -0.354 0.000 1.049 284 V CA 1.627 63.608 62.300 -0.531 0.000 1.024 284 V CB -0.404 30.956 31.823 -0.773 0.000 0.648 284 V HN 0.183 nan 8.190 nan 0.000 0.447 285 V N -0.139 119.584 119.914 -0.319 0.000 2.343 285 V HA -0.281 3.883 4.120 0.073 0.000 0.247 285 V C 2.534 178.521 176.094 -0.179 0.000 1.051 285 V CA 2.417 64.576 62.300 -0.235 0.000 1.036 285 V CB -0.807 30.886 31.823 -0.217 0.000 0.654 285 V HN 0.492 nan 8.190 nan 0.000 0.451 286 R N -0.037 120.365 120.500 -0.163 0.000 2.083 286 R HA -0.182 4.202 4.340 0.073 0.000 0.237 286 R C 2.332 178.559 176.300 -0.122 0.000 1.137 286 R CA 1.725 57.754 56.100 -0.119 0.000 0.951 286 R CB -0.159 30.085 30.300 -0.093 0.000 0.851 286 R HN 0.467 nan 8.270 nan 0.000 0.434 287 E N 0.202 120.309 120.200 -0.156 0.000 2.150 287 E HA -0.167 4.227 4.350 0.073 0.000 0.193 287 E C 1.953 178.465 176.600 -0.148 0.000 0.985 287 E CA 1.202 57.510 56.400 -0.153 0.000 0.814 287 E CB -0.094 29.468 29.700 -0.231 0.000 0.752 287 E HN 0.493 nan 8.360 nan 0.000 0.466 288 M N 0.101 119.607 119.600 -0.157 0.000 2.319 288 M HA -0.086 4.437 4.480 0.073 0.000 0.265 288 M C 2.111 178.349 176.300 -0.103 0.000 1.068 288 M CA 1.724 56.947 55.300 -0.127 0.000 1.118 288 M CB -0.089 32.437 32.600 -0.123 0.000 1.395 288 M HN 0.099 nan 8.290 nan 0.000 0.435 289 T N -3.633 110.861 114.554 -0.100 0.000 3.018 289 T HA 0.194 4.588 4.350 0.073 0.000 0.246 289 T C 0.684 175.342 174.700 -0.071 0.000 1.026 289 T CA -0.296 61.760 62.100 -0.074 0.000 1.081 289 T CB -0.434 68.394 68.868 -0.067 0.000 0.970 289 T HN 0.023 nan 8.240 nan 0.000 0.475 290 V N 3.493 123.361 119.914 -0.077 0.000 2.539 290 V HA 0.083 4.246 4.120 0.073 0.000 0.300 290 V C 0.634 176.674 176.094 -0.090 0.000 1.019 290 V CA 0.535 62.794 62.300 -0.068 0.000 1.160 290 V CB -0.434 31.353 31.823 -0.060 0.000 0.901 290 V HN 0.692 nan 8.190 nan 0.000 0.481 291 K N 3.216 123.568 120.400 -0.080 0.000 3.088 291 K HA -0.217 4.147 4.320 0.073 0.000 0.273 291 K C 0.647 177.180 176.600 -0.111 0.000 1.111 291 K CA 0.681 56.903 56.287 -0.108 0.000 0.803 291 K CB -1.566 30.824 32.500 -0.184 0.000 1.226 291 K HN 0.895 nan 8.250 nan 0.000 0.485 292 S N -1.717 113.933 115.700 -0.083 0.000 3.641 292 S HA -0.190 4.323 4.470 0.073 0.000 0.346 292 S C 1.062 175.582 174.600 -0.133 0.000 1.074 292 S CA 1.636 59.792 58.200 -0.074 0.000 1.026 292 S CB -1.537 61.640 63.200 -0.037 0.000 0.908 292 S HN 1.290 nan 8.310 nan 0.000 0.479 293 G N 0.043 108.739 108.800 -0.174 0.000 2.162 293 G HA2 -0.331 3.673 3.960 0.073 0.000 0.260 293 G HA3 -0.331 3.673 3.960 0.073 0.000 0.260 293 G C -0.019 174.595 174.900 -0.477 0.000 0.976 293 G CA 0.493 45.447 45.100 -0.242 0.000 0.655 293 G HN 0.679 nan 8.290 nan 0.000 0.533 294 Q N 0.346 119.835 119.800 -0.519 0.000 2.642 294 Q HA 0.247 4.631 4.340 0.073 0.000 0.319 294 Q C 0.339 175.999 176.000 -0.566 0.000 1.030 294 Q CA 0.318 55.575 55.803 -0.910 0.000 0.943 294 Q CB 0.144 28.689 28.738 -0.321 0.000 1.323 294 Q HN 0.405 nan 8.270 nan 0.000 0.419 295 K N -0.360 119.802 120.400 -0.396 0.000 2.270 295 K HA 0.226 4.589 4.320 0.073 0.000 0.255 295 K C 0.339 177.035 176.600 0.161 0.000 0.936 295 K CA -0.544 55.743 56.287 0.001 0.000 0.809 295 K CB 1.731 34.260 32.500 0.049 0.000 1.131 295 K HN 0.209 nan 8.250 nan 0.000 0.427 296 C N 0.909 120.427 119.300 0.363 0.000 2.403 296 C HA -0.131 4.373 4.460 0.073 0.000 0.282 296 C C 2.320 177.452 174.990 0.236 0.000 1.297 296 C CA 1.453 60.678 59.018 0.346 0.000 1.785 296 C CB -1.163 26.737 27.740 0.266 0.000 1.963 296 C HN 0.891 nan 8.230 nan 0.000 0.507 297 T N -1.189 113.480 114.554 0.190 0.000 3.107 297 T HA 0.403 4.797 4.350 0.073 0.000 0.249 297 T C 0.649 175.485 174.700 0.226 0.000 1.096 297 T CA 0.583 62.782 62.100 0.164 0.000 1.012 297 T CB -0.182 68.729 68.868 0.071 0.000 0.977 297 T HN 0.509 nan 8.240 nan 0.000 0.527 298 A N 1.632 124.534 122.820 0.137 0.000 2.483 298 A HA 0.485 4.849 4.320 0.073 0.000 0.238 298 A C 0.433 178.040 177.584 0.037 0.000 1.070 298 A CA -0.516 51.553 52.037 0.054 0.000 0.770 298 A CB -0.414 18.550 19.000 -0.061 0.000 1.008 298 A HN 0.610 nan 8.150 nan 0.000 0.497 299 I N 2.563 123.016 120.570 -0.194 0.000 2.662 299 I HA 0.009 4.223 4.170 0.073 0.000 0.285 299 I C 1.168 177.214 176.117 -0.118 0.000 1.161 299 I CA 0.051 61.201 61.300 -0.250 0.000 1.415 299 I CB 0.356 38.085 38.000 -0.451 0.000 1.385 299 I HN 0.688 nan 8.210 nan 0.000 0.552 300 R N 5.463 125.935 120.500 -0.047 0.000 2.316 300 R HA 0.292 4.676 4.340 0.073 0.000 0.201 300 R C 0.140 176.392 176.300 -0.080 0.000 0.888 300 R CA 0.263 56.343 56.100 -0.033 0.000 1.041 300 R CB 0.245 30.560 30.300 0.026 0.000 1.115 300 R HN 0.529 nan 8.270 nan 0.000 0.559 301 R N 0.339 120.762 120.500 -0.129 0.000 2.502 301 R HA 0.607 4.991 4.340 0.073 0.000 0.300 301 R C -1.246 174.758 176.300 -0.493 0.000 0.984 301 R CA -0.425 55.471 56.100 -0.340 0.000 0.882 301 R CB 2.417 32.540 30.300 -0.296 0.000 1.180 301 R HN -0.025 nan 8.270 nan 0.000 0.444 302 A N 3.973 126.481 122.820 -0.520 0.000 2.291 302 A HA 0.667 5.031 4.320 0.073 0.000 0.311 302 A C -1.160 176.252 177.584 -0.286 0.000 1.224 302 A CA -0.520 51.368 52.037 -0.247 0.000 0.821 302 A CB 0.388 19.365 19.000 -0.039 0.000 1.172 302 A HN 0.542 nan 8.150 nan 0.000 0.494 303 F N 2.388 122.466 119.950 0.215 0.000 2.411 303 F HA 0.557 5.127 4.527 0.071 0.000 0.352 303 F C 0.390 176.350 175.800 0.266 0.000 1.123 303 F CA -0.683 57.447 58.000 0.217 0.000 1.044 303 F CB 2.127 41.209 39.000 0.136 0.000 1.135 303 F HN 0.499 nan 8.300 nan 0.000 0.461 304 V N 1.281 121.443 119.914 0.413 0.000 2.962 304 V HA 0.760 4.924 4.120 0.073 0.000 0.313 304 V C -2.988 172.975 176.094 -0.219 0.000 1.099 304 V CA -3.243 59.118 62.300 0.103 0.000 0.971 304 V CB 2.166 33.968 31.823 -0.035 0.000 1.028 304 V HN 0.380 nan 8.190 nan 0.000 0.430 305 P HA 0.224 nan 4.420 nan 0.000 0.269 305 P C 0.628 177.757 177.300 -0.284 0.000 1.209 305 P CA 0.187 62.886 63.100 -0.668 0.000 0.776 305 P CB 0.548 32.012 31.700 -0.392 0.000 0.876 306 E N 2.104 122.167 120.200 -0.229 0.000 2.114 306 E HA -0.281 4.113 4.350 0.073 0.000 0.199 306 E C 1.837 178.406 176.600 -0.052 0.000 1.008 306 E CA 1.896 58.247 56.400 -0.083 0.000 0.810 306 E CB -0.372 29.301 29.700 -0.046 0.000 0.739 306 E HN 0.517 nan 8.360 nan 0.000 0.456 307 A N 0.593 123.371 122.820 -0.068 0.000 2.066 307 A HA 0.057 4.421 4.320 0.073 0.000 0.218 307 A C 2.140 179.711 177.584 -0.022 0.000 1.157 307 A CA 1.313 53.325 52.037 -0.042 0.000 0.670 307 A CB -0.123 18.848 19.000 -0.048 0.000 0.804 307 A HN 0.271 nan 8.150 nan 0.000 0.453 308 A N -1.145 121.666 122.820 -0.016 0.000 2.267 308 A HA 0.364 4.728 4.320 0.073 0.000 0.213 308 A C 1.780 179.421 177.584 0.096 0.000 1.192 308 A CA 0.633 52.705 52.037 0.059 0.000 0.851 308 A CB -0.351 18.705 19.000 0.093 0.000 0.881 308 A HN 0.466 nan 8.150 nan 0.000 0.494 309 L N 0.223 121.475 121.223 0.048 0.000 1.970 309 L HA -0.179 4.205 4.340 0.073 0.000 0.212 309 L C 2.210 179.128 176.870 0.081 0.000 1.071 309 L CA 2.363 57.241 54.840 0.064 0.000 0.751 309 L CB -0.409 41.679 42.059 0.048 0.000 0.889 309 L HN 0.357 nan 8.230 nan 0.000 0.432 310 E N -0.235 120.002 120.200 0.062 0.000 2.031 310 E HA -0.158 4.236 4.350 0.073 0.000 0.193 310 E C 0.175 176.825 176.600 0.083 0.000 0.994 310 E CA 1.751 58.187 56.400 0.059 0.000 0.800 310 E CB -1.952 27.769 29.700 0.035 0.000 0.752 310 E HN 0.450 nan 8.360 nan 0.000 0.447 311 P HA -0.109 nan 4.420 nan 0.000 0.217 311 P C 1.796 179.290 177.300 0.324 0.000 1.148 311 P CA 0.864 64.052 63.100 0.147 0.000 0.828 311 P CB 0.030 31.758 31.700 0.047 0.000 0.783 312 V N -0.490 119.617 119.914 0.322 0.000 2.244 312 V HA -0.228 3.936 4.120 0.073 0.000 0.244 312 V C 2.484 178.646 176.094 0.112 0.000 1.042 312 V CA 1.654 64.094 62.300 0.233 0.000 1.006 312 V CB -1.253 30.671 31.823 0.168 0.000 0.641 312 V HN 0.041 nan 8.190 nan 0.000 0.446 313 L N -0.293 120.982 121.223 0.087 0.000 2.013 313 L HA -0.205 4.178 4.340 0.073 0.000 0.212 313 L C 2.753 179.641 176.870 0.031 0.000 1.073 313 L CA 1.558 56.424 54.840 0.043 0.000 0.753 313 L CB -0.730 41.358 42.059 0.047 0.000 0.890 313 L HN 0.352 nan 8.230 nan 0.000 0.432 314 E N 0.100 120.334 120.200 0.057 0.000 2.106 314 E HA -0.168 4.226 4.350 0.073 0.000 0.192 314 E C 2.303 178.923 176.600 0.034 0.000 0.984 314 E CA 1.362 57.788 56.400 0.044 0.000 0.806 314 E CB -0.262 29.468 29.700 0.049 0.000 0.750 314 E HN 0.487 nan 8.360 nan 0.000 0.458 315 A N 1.224 124.089 122.820 0.075 0.000 1.898 315 A HA -0.106 4.258 4.320 0.073 0.000 0.216 315 A C 2.407 179.963 177.584 -0.048 0.000 1.181 315 A CA 0.959 53.033 52.037 0.063 0.000 0.620 315 A CB -0.694 18.423 19.000 0.194 0.000 0.819 315 A HN 0.164 nan 8.150 nan 0.000 0.442 316 L N -0.549 120.620 121.223 -0.090 0.000 2.017 316 L HA -0.228 4.155 4.340 0.073 0.000 0.208 316 L C 2.618 179.320 176.870 -0.279 0.000 1.073 316 L CA 1.775 56.499 54.840 -0.194 0.000 0.745 316 L CB -0.501 41.443 42.059 -0.192 0.000 0.894 316 L HN 0.359 nan 8.230 nan 0.000 0.432 317 K N 0.057 120.327 120.400 -0.217 0.000 2.044 317 K HA -0.214 4.150 4.320 0.073 0.000 0.210 317 K C 2.216 178.687 176.600 -0.215 0.000 1.049 317 K CA 1.606 57.739 56.287 -0.256 0.000 0.927 317 K CB -0.337 32.163 32.500 -0.001 0.000 0.713 317 K HN 0.316 nan 8.250 nan 0.000 0.443 318 A N 1.550 124.307 122.820 -0.106 0.000 1.902 318 A HA -0.211 4.152 4.320 0.073 0.000 0.217 318 A C 2.066 179.589 177.584 -0.100 0.000 1.181 318 A CA 1.741 53.739 52.037 -0.065 0.000 0.623 318 A CB -0.310 18.675 19.000 -0.025 0.000 0.818 318 A HN 0.214 nan 8.150 nan 0.000 0.443 319 K N -0.466 119.848 120.400 -0.143 0.000 2.062 319 K HA 0.091 4.455 4.320 0.073 0.000 0.205 319 K C 1.778 178.262 176.600 -0.193 0.000 1.051 319 K CA 0.901 57.102 56.287 -0.145 0.000 0.941 319 K CB -0.262 32.148 32.500 -0.150 0.000 0.719 319 K HN 0.451 nan 8.250 nan 0.000 0.440 320 L N 0.308 121.327 121.223 -0.339 0.000 2.201 320 L HA -0.099 4.284 4.340 0.073 0.000 0.212 320 L C 2.389 179.116 176.870 -0.238 0.000 1.105 320 L CA 0.918 55.501 54.840 -0.428 0.000 0.775 320 L CB -0.450 41.063 42.059 -0.910 0.000 0.913 320 L HN 0.251 nan 8.230 nan 0.000 0.440 321 A N 0.154 122.876 122.820 -0.163 0.000 2.019 321 A HA -0.196 4.167 4.320 0.073 0.000 0.219 321 A C 2.239 179.839 177.584 0.026 0.000 1.164 321 A CA 1.435 53.509 52.037 0.062 0.000 0.644 321 A CB -0.281 18.763 19.000 0.074 0.000 0.805 321 A HN 0.358 nan 8.150 nan 0.000 0.449 322 K N -0.468 119.918 120.400 -0.025 0.000 2.366 322 K HA 0.112 4.476 4.320 0.073 0.000 0.198 322 K C -0.190 176.402 176.600 -0.014 0.000 1.044 322 K CA 0.109 56.386 56.287 -0.018 0.000 0.973 322 K CB 0.075 32.557 32.500 -0.031 0.000 0.767 322 K HN 0.325 nan 8.250 nan 0.000 0.475 323 I N 3.679 124.239 120.570 -0.017 0.000 2.389 323 I HA -0.025 4.188 4.170 0.073 0.000 0.295 323 I C 0.578 176.703 176.117 0.014 0.000 1.117 323 I CA 0.337 61.631 61.300 -0.010 0.000 1.317 323 I CB -0.579 37.407 38.000 -0.023 0.000 1.431 323 I HN 0.104 nan 8.210 nan 0.000 0.521 324 T N 3.934 118.493 114.554 0.008 0.000 2.897 324 T HA 0.577 4.971 4.350 0.073 0.000 0.294 324 T C 0.013 174.722 174.700 0.014 0.000 1.004 324 T CA -0.645 61.463 62.100 0.013 0.000 1.106 324 T CB 1.864 70.736 68.868 0.008 0.000 0.949 324 T HN 0.212 nan 8.240 nan 0.000 0.520 325 V N 2.378 122.303 119.914 0.018 0.000 2.656 325 V HA 0.885 5.048 4.120 0.073 0.000 0.307 325 V C 0.723 176.827 176.094 0.018 0.000 1.051 325 V CA 0.135 62.448 62.300 0.022 0.000 0.893 325 V CB 1.160 33.003 31.823 0.034 0.000 0.999 325 V HN 1.476 nan 8.190 nan 0.000 0.426 326 G N 3.379 112.189 108.800 0.017 0.000 2.491 326 G HA2 0.041 4.045 3.960 0.073 0.000 0.183 326 G HA3 0.041 4.045 3.960 0.073 0.000 0.183 326 G C -1.069 173.838 174.900 0.011 0.000 1.221 326 G CA -0.662 44.445 45.100 0.012 0.000 0.996 326 G HN 0.599 nan 8.290 nan 0.000 0.474 327 N N 2.494 121.199 118.700 0.009 0.000 2.452 327 N HA 0.255 5.039 4.740 0.073 0.000 0.266 327 N C -0.977 174.543 175.510 0.016 0.000 1.209 327 N CA -1.265 51.792 53.050 0.012 0.000 0.929 327 N CB 1.716 40.209 38.487 0.010 0.000 1.063 327 N HN 0.143 nan 8.380 nan 0.000 0.472 328 P HA -0.074 nan 4.420 nan 0.000 0.226 328 P C 0.651 177.968 177.300 0.029 0.000 1.153 328 P CA 0.876 63.992 63.100 0.026 0.000 0.777 328 P CB 0.391 32.112 31.700 0.034 0.000 0.794 329 R N -0.691 119.825 120.500 0.027 0.000 2.189 329 R HA -0.006 4.378 4.340 0.073 0.000 0.223 329 R C 1.296 177.606 176.300 0.017 0.000 1.092 329 R CA 0.311 56.425 56.100 0.025 0.000 0.989 329 R CB -0.483 29.832 30.300 0.025 0.000 0.876 329 R HN 0.170 nan 8.270 nan 0.000 0.457 330 N N 1.336 120.044 118.700 0.014 0.000 2.422 330 N HA -0.039 4.745 4.740 0.073 0.000 0.264 330 N C -0.319 175.196 175.510 0.008 0.000 1.063 330 N CA 0.049 53.104 53.050 0.009 0.000 0.959 330 N CB 1.222 39.714 38.487 0.008 0.000 1.087 330 N HN -0.053 nan 8.380 nan 0.000 0.483 331 D N 2.936 123.339 120.400 0.005 0.000 2.309 331 D HA -0.071 4.613 4.640 0.073 0.000 0.212 331 D C 1.324 177.625 176.300 0.002 0.000 0.968 331 D CA 0.672 54.674 54.000 0.003 0.000 0.882 331 D CB 0.080 40.879 40.800 -0.001 0.000 0.918 331 D HN 0.674 nan 8.370 nan 0.000 0.503 332 A N 0.227 123.049 122.820 0.002 0.000 2.119 332 A HA 0.038 4.401 4.320 0.073 0.000 0.216 332 A C 1.166 178.751 177.584 0.003 0.000 1.152 332 A CA 0.080 52.118 52.037 0.002 0.000 0.708 332 A CB 0.144 19.145 19.000 0.002 0.000 0.805 332 A HN 0.054 nan 8.150 nan 0.000 0.460 333 V N 1.634 121.551 119.914 0.005 0.000 2.508 333 V HA 0.097 4.261 4.120 0.073 0.000 0.281 333 V C 1.165 177.263 176.094 0.005 0.000 1.041 333 V CA -0.253 62.050 62.300 0.007 0.000 1.016 333 V CB 0.901 32.730 31.823 0.010 0.000 0.984 333 V HN 0.461 nan 8.190 nan 0.000 0.478 334 R N 3.463 123.964 120.500 0.002 0.000 2.223 334 R HA 0.310 4.694 4.340 0.073 0.000 0.198 334 R C 0.278 176.576 176.300 -0.004 0.000 0.984 334 R CA 0.433 56.531 56.100 -0.003 0.000 1.018 334 R CB 0.305 30.599 30.300 -0.010 0.000 0.945 334 R HN 0.643 nan 8.270 nan 0.000 0.479 335 M N -0.151 119.450 119.600 0.001 0.000 2.271 335 M HA 0.406 4.930 4.480 0.073 0.000 0.285 335 M C -0.392 175.913 176.300 0.008 0.000 1.059 335 M CA -0.474 54.826 55.300 -0.000 0.000 0.940 335 M CB 2.183 34.782 32.600 -0.002 0.000 1.636 335 M HN 0.089 nan 8.290 nan 0.000 0.460 336 G N 1.692 110.496 108.800 0.007 0.000 2.928 336 G HA2 0.506 4.510 3.960 0.073 0.000 0.163 336 G HA3 0.506 4.510 3.960 0.073 0.000 0.163 336 G C -0.367 174.543 174.900 0.016 0.000 1.573 336 G CA 0.056 45.163 45.100 0.012 0.000 1.084 336 G HN 0.804 nan 8.290 nan 0.000 0.569 337 S N -1.228 114.481 115.700 0.015 0.000 2.690 337 S HA 0.656 5.170 4.470 0.073 0.000 0.291 337 S C 0.192 174.804 174.600 0.019 0.000 1.138 337 S CA -0.805 57.408 58.200 0.022 0.000 1.013 337 S CB 1.185 64.391 63.200 0.010 0.000 1.053 337 S HN 0.416 nan 8.310 nan 0.000 0.539 338 L N 0.996 122.242 121.223 0.037 0.000 2.468 338 L HA 0.131 4.515 4.340 0.073 0.000 0.253 338 L C 1.993 178.855 176.870 -0.014 0.000 1.237 338 L CA -0.401 54.455 54.840 0.026 0.000 0.823 338 L CB 0.133 42.228 42.059 0.059 0.000 1.124 338 L HN 0.785 nan 8.230 nan 0.000 0.504 339 V N -2.570 117.300 119.914 -0.073 0.000 2.970 339 V HA 0.024 4.188 4.120 0.073 0.000 0.260 339 V C 0.727 176.740 176.094 -0.136 0.000 1.100 339 V CA 1.014 63.237 62.300 -0.128 0.000 1.122 339 V CB -0.579 31.086 31.823 -0.263 0.000 0.721 339 V HN 0.800 nan 8.190 nan 0.000 0.483 340 S N -1.711 113.914 115.700 -0.125 0.000 2.567 340 S HA 0.568 5.081 4.470 0.073 0.000 0.270 340 S C 0.086 174.671 174.600 -0.026 0.000 1.152 340 S CA -0.275 57.871 58.200 -0.089 0.000 0.835 340 S CB 2.023 65.141 63.200 -0.135 0.000 1.115 340 S HN 0.125 nan 8.310 nan 0.000 0.459 341 R N 1.106 121.592 120.500 -0.023 0.000 2.096 341 R HA -0.019 4.364 4.340 0.073 0.000 0.235 341 R C 2.019 178.373 176.300 0.091 0.000 1.127 341 R CA 2.282 58.388 56.100 0.010 0.000 0.968 341 R CB -0.711 29.562 30.300 -0.045 0.000 0.861 341 R HN 0.882 nan 8.270 nan 0.000 0.440 342 E N -0.520 119.700 120.200 0.033 0.000 2.058 342 E HA -0.243 4.151 4.350 0.073 0.000 0.194 342 E C 1.627 178.255 176.600 0.047 0.000 0.997 342 E CA 1.222 57.644 56.400 0.037 0.000 0.801 342 E CB 0.041 29.744 29.700 0.003 0.000 0.746 342 E HN 0.297 nan 8.360 nan 0.000 0.450 343 Q N -0.450 119.356 119.800 0.010 0.000 2.170 343 Q HA -0.188 4.196 4.340 0.073 0.000 0.203 343 Q C 1.888 177.940 176.000 0.086 0.000 0.976 343 Q CA 1.308 57.127 55.803 0.026 0.000 0.858 343 Q CB -0.521 28.177 28.738 -0.067 0.000 0.907 343 Q HN 0.508 nan 8.270 nan 0.000 0.433 344 Y N 2.121 122.410 120.300 -0.019 0.000 2.097 344 Y HA -0.247 4.347 4.550 0.073 0.000 0.282 344 Y C 2.031 177.931 175.900 -0.000 0.000 1.152 344 Y CA 1.853 59.948 58.100 -0.008 0.000 1.136 344 Y CB 0.070 38.523 38.460 -0.012 0.000 0.975 344 Y HN 0.053 nan 8.280 nan 0.000 0.498 345 E N 0.544 120.802 120.200 0.096 0.000 2.077 345 E HA -0.223 4.171 4.350 0.073 0.000 0.193 345 E C 1.863 178.435 176.600 -0.048 0.000 0.989 345 E CA 1.587 57.982 56.400 -0.008 0.000 0.800 345 E CB -0.664 29.086 29.700 0.083 0.000 0.746 345 E HN 0.714 nan 8.360 nan 0.000 0.452 346 N N 0.234 118.934 118.700 -0.000 0.000 2.069 346 N HA -0.139 4.645 4.740 0.073 0.000 0.191 346 N C 2.003 177.506 175.510 -0.011 0.000 1.031 346 N CA 1.256 54.313 53.050 0.012 0.000 0.852 346 N CB 0.000 38.521 38.487 0.056 0.000 1.018 346 N HN -0.064 nan 8.380 nan 0.000 0.423 347 V N 1.748 121.643 119.914 -0.031 0.000 2.295 347 V HA -0.193 3.970 4.120 0.073 0.000 0.246 347 V C 2.229 178.236 176.094 -0.145 0.000 1.049 347 V CA 1.376 63.639 62.300 -0.062 0.000 1.024 347 V CB -0.534 31.254 31.823 -0.058 0.000 0.648 347 V HN 0.323 nan 8.190 nan 0.000 0.447 348 L N -0.050 121.032 121.223 -0.235 0.000 2.042 348 L HA -0.198 4.186 4.340 0.073 0.000 0.210 348 L C 2.754 179.550 176.870 -0.124 0.000 1.076 348 L CA 1.654 56.349 54.840 -0.242 0.000 0.749 348 L CB -0.859 40.994 42.059 -0.343 0.000 0.893 348 L HN 0.393 nan 8.230 nan 0.000 0.432 349 A N 0.401 123.168 122.820 -0.088 0.000 1.883 349 A HA -0.153 4.211 4.320 0.073 0.000 0.217 349 A C 2.411 179.973 177.584 -0.036 0.000 1.186 349 A CA 1.834 53.844 52.037 -0.044 0.000 0.624 349 A CB -1.294 17.691 19.000 -0.025 0.000 0.822 349 A HN 0.447 nan 8.150 nan 0.000 0.444 350 G N -0.017 108.761 108.800 -0.037 0.000 2.446 350 G HA2 -0.225 3.779 3.960 0.073 0.000 0.217 350 G HA3 -0.225 3.779 3.960 0.073 0.000 0.217 350 G C 1.540 176.415 174.900 -0.042 0.000 1.168 350 G CA 1.176 46.258 45.100 -0.031 0.000 0.771 350 G HN 0.480 nan 8.290 nan 0.000 0.551 351 I N 1.410 121.962 120.570 -0.031 0.000 2.163 351 I HA -0.217 3.997 4.170 0.073 0.000 0.243 351 I C 3.311 179.490 176.117 0.103 0.000 1.085 351 I CA 1.093 62.432 61.300 0.066 0.000 1.347 351 I CB -0.223 37.728 38.000 -0.082 0.000 1.044 351 I HN 0.253 nan 8.210 nan 0.000 0.408 352 A N 0.612 123.452 122.820 0.033 0.000 1.908 352 A HA -0.198 4.166 4.320 0.073 0.000 0.218 352 A C 2.528 180.110 177.584 -0.003 0.000 1.181 352 A CA 1.963 54.021 52.037 0.034 0.000 0.627 352 A CB -0.875 18.131 19.000 0.009 0.000 0.818 352 A HN 0.453 nan 8.150 nan 0.000 0.445 353 A N -0.192 122.605 122.820 -0.039 0.000 1.858 353 A HA -0.057 4.307 4.320 0.073 0.000 0.216 353 A C 2.172 179.677 177.584 -0.131 0.000 1.190 353 A CA 1.510 53.508 52.037 -0.065 0.000 0.617 353 A CB -0.659 18.306 19.000 -0.059 0.000 0.827 353 A HN 0.469 nan 8.150 nan 0.000 0.443 354 L N -1.271 119.807 121.223 -0.242 0.000 2.083 354 L HA -0.170 4.214 4.340 0.073 0.000 0.209 354 L C 2.789 179.366 176.870 -0.488 0.000 1.083 354 L CA 1.615 56.165 54.840 -0.485 0.000 0.752 354 L CB -0.472 41.048 42.059 -0.898 0.000 0.899 354 L HN 0.434 nan 8.230 nan 0.000 0.433 355 R N 0.039 120.381 120.500 -0.264 0.000 2.193 355 R HA -0.152 4.232 4.340 0.073 0.000 0.229 355 R C 2.044 178.358 176.300 0.024 0.000 1.110 355 R CA 0.822 56.962 56.100 0.066 0.000 0.988 355 R CB 0.071 30.533 30.300 0.270 0.000 0.871 355 R HN 0.306 nan 8.270 nan 0.000 0.458 356 E N 0.319 120.502 120.200 -0.028 0.000 2.204 356 E HA -0.168 4.225 4.350 0.073 0.000 0.195 356 E C 0.664 177.253 176.600 -0.019 0.000 0.990 356 E CA 1.047 57.438 56.400 -0.015 0.000 0.821 356 E CB 0.215 29.900 29.700 -0.024 0.000 0.750 356 E HN 0.372 nan 8.360 nan 0.000 0.477 357 E N -1.268 118.901 120.200 -0.052 0.000 2.714 357 E HA 0.350 4.744 4.350 0.073 0.000 0.219 357 E C -0.241 176.339 176.600 -0.034 0.000 0.979 357 E CA -0.100 56.276 56.400 -0.041 0.000 1.092 357 E CB 1.346 31.013 29.700 -0.056 0.000 1.049 357 E HN 0.047 nan 8.360 nan 0.000 0.487 358 A N 0.294 123.104 122.820 -0.017 0.000 2.572 358 A HA 0.624 4.987 4.320 0.073 0.000 0.295 358 A C -0.711 177.004 177.584 0.219 0.000 1.072 358 A CA -0.576 51.498 52.037 0.063 0.000 0.691 358 A CB 1.512 20.482 19.000 -0.050 0.000 1.291 358 A HN -0.061 nan 8.150 nan 0.000 0.404 359 V N 1.601 121.653 119.914 0.231 0.000 2.465 359 V HA 0.325 4.489 4.120 0.073 0.000 0.279 359 V C -0.187 176.039 176.094 0.220 0.000 1.045 359 V CA -0.436 61.981 62.300 0.195 0.000 0.938 359 V CB 1.222 33.110 31.823 0.108 0.000 0.986 359 V HN 0.741 nan 8.190 nan 0.000 0.467 360 L N 5.164 126.440 121.223 0.089 0.000 2.342 360 L HA 0.466 4.849 4.340 0.073 0.000 0.285 360 L C 1.101 177.897 176.870 -0.124 0.000 1.095 360 L CA 0.600 55.326 54.840 -0.191 0.000 0.843 360 L CB 0.638 42.551 42.059 -0.244 0.000 1.201 360 L HN 0.761 nan 8.230 nan 0.000 0.445 361 A N 5.217 127.973 122.820 -0.106 0.000 1.984 361 A HA 0.049 4.413 4.320 0.073 0.000 0.214 361 A C 0.140 177.731 177.584 0.011 0.000 1.173 361 A CA 0.622 52.645 52.037 -0.023 0.000 0.673 361 A CB -0.119 18.891 19.000 0.017 0.000 0.830 361 A HN 0.665 nan 8.150 nan 0.000 0.453 362 Y N -0.945 119.233 120.300 -0.202 0.000 2.479 362 Y HA 0.523 5.116 4.550 0.073 0.000 0.338 362 Y C -2.257 173.453 175.900 -0.317 0.000 1.055 362 Y CA -1.395 56.581 58.100 -0.205 0.000 1.023 362 Y CB 1.762 40.126 38.460 -0.159 0.000 1.287 362 Y HN 0.092 nan 8.280 nan 0.000 0.447 363 D N 2.974 122.821 120.400 -0.922 0.000 2.419 363 D HA 0.163 4.847 4.640 0.073 0.000 0.219 363 D C -0.955 174.850 176.300 -0.824 0.000 1.349 363 D CA -0.059 53.418 54.000 -0.872 0.000 0.964 363 D CB 1.049 41.442 40.800 -0.680 0.000 1.463 363 D HN 0.453 nan 8.370 nan 0.000 0.573 364 S N 1.224 116.513 115.700 -0.685 0.000 2.618 364 S HA 0.122 4.636 4.470 0.073 0.000 0.242 364 S C 1.352 175.829 174.600 -0.205 0.000 0.972 364 S CA -0.353 57.605 58.200 -0.403 0.000 1.004 364 S CB 0.288 63.369 63.200 -0.197 0.000 0.778 364 S HN 0.197 nan 8.310 nan 0.000 0.459 365 S N 2.001 117.569 115.700 -0.220 0.000 2.400 365 S HA -0.045 4.468 4.470 0.073 0.000 0.232 365 S C 2.022 176.596 174.600 -0.044 0.000 1.025 365 S CA 1.290 59.447 58.200 -0.073 0.000 0.993 365 S CB -0.386 62.792 63.200 -0.036 0.000 0.808 365 S HN 0.872 nan 8.310 nan 0.000 0.478 366 A N 0.676 123.448 122.820 -0.080 0.000 2.218 366 A HA 0.278 4.642 4.320 0.073 0.000 0.209 366 A C 0.771 178.329 177.584 -0.043 0.000 1.168 366 A CA -0.028 51.977 52.037 -0.052 0.000 0.804 366 A CB -0.048 18.913 19.000 -0.064 0.000 0.834 366 A HN 0.246 nan 8.150 nan 0.000 0.482 367 V N 2.469 122.353 119.914 -0.051 0.000 2.485 367 V HA 0.117 4.281 4.120 0.073 0.000 0.287 367 V C -2.132 173.955 176.094 -0.012 0.000 1.022 367 V CA -1.145 61.136 62.300 -0.031 0.000 1.067 367 V CB 0.228 32.034 31.823 -0.028 0.000 0.967 367 V HN 0.286 nan 8.190 nan 0.000 0.479 368 P HA 0.065 nan 4.420 nan 0.000 0.262 368 P C -0.033 177.269 177.300 0.002 0.000 1.182 368 P CA 0.093 63.192 63.100 -0.003 0.000 0.761 368 P CB 0.334 32.032 31.700 -0.004 0.000 0.795 369 L N 3.309 124.536 121.223 0.005 0.000 2.467 369 L HA 0.149 4.532 4.340 0.073 0.000 0.270 369 L C 0.794 177.666 176.870 0.004 0.000 1.205 369 L CA -0.086 54.758 54.840 0.007 0.000 0.828 369 L CB 0.003 42.066 42.059 0.006 0.000 1.101 369 L HN 0.284 nan 8.230 nan 0.000 0.479 370 I N 2.368 122.941 120.570 0.005 0.000 2.312 370 I HA 0.087 4.301 4.170 0.073 0.000 0.291 370 I C -0.192 175.927 176.117 0.003 0.000 1.031 370 I CA -0.211 61.092 61.300 0.004 0.000 1.293 370 I CB 0.727 38.730 38.000 0.006 0.000 1.403 370 I HN 0.637 nan 8.210 nan 0.000 0.484 371 D N 4.521 124.922 120.400 0.002 0.000 2.751 371 D HA -0.192 4.492 4.640 0.073 0.000 0.233 371 D C -0.217 176.083 176.300 -0.001 0.000 1.149 371 D CA 1.188 55.188 54.000 0.001 0.000 0.682 371 D CB -0.670 40.132 40.800 0.004 0.000 1.068 371 D HN 0.683 nan 8.370 nan 0.000 0.429 372 A N -0.044 122.774 122.820 -0.004 0.000 2.549 372 A HA 0.514 4.878 4.320 0.073 0.000 0.297 372 A C -1.267 176.307 177.584 -0.016 0.000 1.061 372 A CA -0.758 51.272 52.037 -0.011 0.000 0.690 372 A CB 2.080 21.073 19.000 -0.011 0.000 1.287 372 A HN -0.054 nan 8.150 nan 0.000 0.402 373 D N 2.023 122.407 120.400 -0.026 0.000 2.317 373 D HA 0.514 5.197 4.640 0.073 0.000 0.234 373 D C 1.211 177.481 176.300 -0.051 0.000 1.112 373 D CA 0.375 54.356 54.000 -0.032 0.000 0.840 373 D CB 1.680 42.461 40.800 -0.031 0.000 1.078 373 D HN 0.588 nan 8.370 nan 0.000 0.486 374 A N 4.601 127.397 122.820 -0.040 0.000 2.032 374 A HA -0.230 4.134 4.320 0.073 0.000 0.221 374 A C 1.694 179.216 177.584 -0.103 0.000 1.165 374 A CA 1.170 53.176 52.037 -0.052 0.000 0.645 374 A CB -0.211 18.787 19.000 -0.003 0.000 0.807 374 A HN 0.579 nan 8.150 nan 0.000 0.453 375 N N -0.780 117.873 118.700 -0.077 0.000 2.463 375 N HA 0.119 4.902 4.740 0.073 0.000 0.181 375 N C 1.304 176.744 175.510 -0.116 0.000 1.078 375 N CA 0.816 53.816 53.050 -0.084 0.000 0.902 375 N CB -0.023 38.440 38.487 -0.041 0.000 0.970 375 N HN 0.614 nan 8.380 nan 0.000 0.451 376 I N -0.300 120.198 120.570 -0.119 0.000 3.136 376 I HA 0.169 4.383 4.170 0.073 0.000 0.262 376 I C 0.867 176.887 176.117 -0.161 0.000 1.132 376 I CA -0.090 61.142 61.300 -0.114 0.000 1.450 376 I CB -0.198 37.760 38.000 -0.069 0.000 1.315 376 I HN -0.090 nan 8.210 nan 0.000 0.460 377 A N 1.086 123.811 122.820 -0.159 0.000 2.406 377 A HA 0.526 4.890 4.320 0.073 0.000 0.243 377 A C 0.608 178.020 177.584 -0.286 0.000 1.082 377 A CA 0.309 52.252 52.037 -0.156 0.000 0.786 377 A CB 0.148 19.094 19.000 -0.091 0.000 1.029 377 A HN 0.397 nan 8.150 nan 0.000 0.495 378 A N 0.857 123.569 122.820 -0.179 0.000 3.012 378 A HA 0.427 4.791 4.320 0.073 0.000 0.295 378 A C 0.084 177.715 177.584 0.080 0.000 1.338 378 A CA -0.245 51.714 52.037 -0.129 0.000 0.981 378 A CB -0.922 18.067 19.000 -0.019 0.000 1.091 378 A HN 0.698 nan 8.150 nan 0.000 0.602 379 C N 0.861 120.191 119.300 0.050 0.000 2.464 379 C HA 0.452 4.956 4.460 0.073 0.000 0.370 379 C C 0.568 175.707 174.990 0.249 0.000 1.267 379 C CA -0.414 58.675 59.018 0.119 0.000 1.781 379 C CB -0.521 27.255 27.740 0.059 0.000 2.431 379 C HN 0.442 nan 8.230 nan 0.000 0.556 380 V N 4.307 124.343 119.914 0.202 0.000 2.435 380 V HA 0.633 4.796 4.120 0.073 0.000 0.290 380 V C 0.681 176.861 176.094 0.142 0.000 1.030 380 V CA -0.332 62.067 62.300 0.166 0.000 0.881 380 V CB 1.474 33.333 31.823 0.060 0.000 0.983 380 V HN 1.026 nan 8.190 nan 0.000 0.445 381 A N 7.051 129.977 122.820 0.178 0.000 2.332 381 A HA 0.700 5.064 4.320 0.073 0.000 0.258 381 A C -2.485 175.232 177.584 0.222 0.000 1.087 381 A CA -1.454 50.666 52.037 0.139 0.000 0.802 381 A CB -0.070 18.958 19.000 0.047 0.000 1.042 381 A HN 0.668 nan 8.150 nan 0.000 0.489 382 P HA 0.142 nan 4.420 nan 0.000 0.268 382 P C -0.776 176.644 177.300 0.199 0.000 1.204 382 P CA 0.664 63.878 63.100 0.191 0.000 0.768 382 P CB 0.221 32.005 31.700 0.139 0.000 0.842 383 H N 1.928 121.008 119.070 0.016 0.000 2.609 383 H HA 0.432 5.032 4.556 0.073 0.000 0.344 383 H C -0.865 174.394 175.328 -0.116 0.000 1.040 383 H CA -0.865 55.127 56.048 -0.093 0.000 1.216 383 H CB 2.032 31.684 29.762 -0.183 0.000 1.529 383 H HN 0.270 nan 8.280 nan 0.000 0.519 384 L N 4.019 125.197 121.223 -0.075 0.000 2.325 384 L HA 0.406 4.790 4.340 0.073 0.000 0.281 384 L C -1.540 175.212 176.870 -0.197 0.000 1.004 384 L CA -0.340 54.460 54.840 -0.067 0.000 0.823 384 L CB 0.613 42.658 42.059 -0.023 0.000 1.236 384 L HN 0.344 nan 8.230 nan 0.000 0.415 385 F N 3.828 123.799 119.950 0.035 0.000 2.440 385 F HA 0.714 5.285 4.527 0.073 0.000 0.328 385 F C -0.075 175.730 175.800 0.008 0.000 1.070 385 F CA -0.617 57.398 58.000 0.024 0.000 1.011 385 F CB 1.981 40.988 39.000 0.012 0.000 1.226 385 F HN 0.097 nan 8.300 nan 0.000 0.491 386 V N 2.603 122.655 119.914 0.229 0.000 2.487 386 V HA 0.495 4.659 4.120 0.073 0.000 0.298 386 V C -0.846 175.324 176.094 0.127 0.000 1.028 386 V CA -0.851 61.530 62.300 0.136 0.000 0.860 386 V CB 1.659 33.541 31.823 0.098 0.000 0.991 386 V HN 0.466 nan 8.190 nan 0.000 0.427 387 V N 4.271 124.242 119.914 0.094 0.000 2.326 387 V HA 0.286 4.449 4.120 0.073 0.000 0.281 387 V C 0.787 176.938 176.094 0.095 0.000 1.015 387 V CA -0.369 61.976 62.300 0.074 0.000 0.823 387 V CB 0.975 32.817 31.823 0.032 0.000 1.009 387 V HN 0.918 nan 8.190 nan 0.000 0.436 388 N N 2.184 120.937 118.700 0.088 0.000 2.331 388 N HA -0.070 4.714 4.740 0.073 0.000 0.180 388 N C 0.468 176.044 175.510 0.109 0.000 1.019 388 N CA 0.771 53.877 53.050 0.093 0.000 0.881 388 N CB 0.247 38.779 38.487 0.074 0.000 0.972 388 N HN 0.674 nan 8.380 nan 0.000 0.435 389 D N -0.487 119.978 120.400 0.108 0.000 2.441 389 D HA 0.165 4.848 4.640 0.073 0.000 0.287 389 D C -1.973 174.416 176.300 0.149 0.000 1.198 389 D CA -2.351 51.724 54.000 0.124 0.000 0.894 389 D CB 0.879 41.736 40.800 0.094 0.000 1.070 389 D HN 0.014 nan 8.370 nan 0.000 0.499 390 P HA -0.071 nan 4.420 nan 0.000 0.225 390 P C 0.659 178.161 177.300 0.336 0.000 1.148 390 P CA 0.582 63.840 63.100 0.264 0.000 0.779 390 P CB 0.698 32.606 31.700 0.348 0.000 0.780 391 D N 0.437 120.989 120.400 0.253 0.000 2.117 391 D HA -0.114 4.569 4.640 0.073 0.000 0.197 391 D C 1.271 177.671 176.300 0.166 0.000 0.987 391 D CA 1.253 55.378 54.000 0.208 0.000 0.829 391 D CB -0.785 40.120 40.800 0.175 0.000 0.961 391 D HN 0.315 nan 8.370 nan 0.000 0.460 392 N N -0.261 118.522 118.700 0.138 0.000 2.280 392 N HA 0.228 5.012 4.740 0.073 0.000 0.192 392 N C -0.119 175.449 175.510 0.098 0.000 1.109 392 N CA -0.149 52.962 53.050 0.102 0.000 0.855 392 N CB 0.682 39.214 38.487 0.074 0.000 0.974 392 N HN -0.002 nan 8.380 nan 0.000 0.482 393 A N 0.544 123.435 122.820 0.117 0.000 2.488 393 A HA 0.190 4.554 4.320 0.073 0.000 0.249 393 A C 1.437 179.067 177.584 0.077 0.000 1.083 393 A CA -0.059 52.012 52.037 0.057 0.000 0.768 393 A CB 0.138 19.128 19.000 -0.018 0.000 1.017 393 A HN 0.345 nan 8.150 nan 0.000 0.496 394 T N 1.271 115.844 114.554 0.032 0.000 2.914 394 T HA 0.005 4.399 4.350 0.073 0.000 0.240 394 T C 1.730 176.434 174.700 0.008 0.000 1.025 394 T CA 0.970 63.095 62.100 0.042 0.000 1.198 394 T CB -0.681 68.201 68.868 0.024 0.000 0.892 394 T HN 0.390 nan 8.240 nan 0.000 0.417 395 L N 0.921 122.120 121.223 -0.040 0.000 2.079 395 L HA 0.008 4.392 4.340 0.073 0.000 0.210 395 L C 2.711 179.518 176.870 -0.106 0.000 1.081 395 L CA 0.865 55.664 54.840 -0.068 0.000 0.752 395 L CB -1.000 40.999 42.059 -0.101 0.000 0.896 395 L HN 0.196 nan 8.230 nan 0.000 0.433 396 L N 0.046 121.157 121.223 -0.186 0.000 2.034 396 L HA -0.289 4.095 4.340 0.073 0.000 0.217 396 L C 2.516 179.245 176.870 -0.236 0.000 1.077 396 L CA 2.037 56.705 54.840 -0.287 0.000 0.769 396 L CB -0.843 40.938 42.059 -0.463 0.000 0.890 396 L HN 0.335 nan 8.230 nan 0.000 0.435 397 H N -1.400 117.712 119.070 0.070 0.000 2.539 397 H HA 0.182 4.781 4.556 0.073 0.000 0.269 397 H C 0.842 176.202 175.328 0.053 0.000 0.980 397 H CA 0.805 56.904 56.048 0.085 0.000 1.152 397 H CB 0.290 30.105 29.762 0.089 0.000 1.407 397 H HN 0.545 nan 8.280 nan 0.000 0.564 398 D N 0.204 120.663 120.400 0.098 0.000 2.403 398 D HA 0.077 4.761 4.640 0.073 0.000 0.280 398 D C 0.300 176.622 176.300 0.035 0.000 1.091 398 D CA 0.281 54.321 54.000 0.067 0.000 0.884 398 D CB 1.552 42.386 40.800 0.057 0.000 1.427 398 D HN -0.029 nan 8.370 nan 0.000 0.504 399 V N 2.629 122.547 119.914 0.007 0.000 2.364 399 V HA 0.183 4.347 4.120 0.073 0.000 0.272 399 V C 0.265 176.361 176.094 0.003 0.000 1.036 399 V CA -0.424 61.872 62.300 -0.006 0.000 0.880 399 V CB 2.103 33.902 31.823 -0.039 0.000 0.991 399 V HN -0.022 nan 8.190 nan 0.000 0.460 400 E N 3.534 123.753 120.200 0.032 0.000 2.197 400 E HA 0.444 4.838 4.350 0.073 0.000 0.281 400 E C -1.353 175.293 176.600 0.077 0.000 0.995 400 E CA -0.349 56.090 56.400 0.065 0.000 0.808 400 E CB 2.042 31.798 29.700 0.094 0.000 1.093 400 E HN 0.476 nan 8.360 nan 0.000 0.394 401 V N 5.764 125.728 119.914 0.084 0.000 2.357 401 V HA 0.185 4.349 4.120 0.073 0.000 0.284 401 V C -0.019 176.171 176.094 0.161 0.000 1.018 401 V CA -0.648 61.711 62.300 0.098 0.000 0.841 401 V CB 0.797 32.646 31.823 0.043 0.000 0.991 401 V HN 0.580 nan 8.190 nan 0.000 0.437 402 F N 5.029 125.000 119.950 0.036 0.000 2.669 402 F HA 0.651 5.222 4.527 0.073 0.000 0.353 402 F C 0.903 176.740 175.800 0.063 0.000 1.192 402 F CA -0.031 58.004 58.000 0.059 0.000 1.317 402 F CB -0.231 38.828 39.000 0.097 0.000 1.652 402 F HN 0.599 nan 8.300 nan 0.000 0.608 403 G N 1.676 110.428 108.800 -0.079 0.000 2.706 403 G HA2 0.327 4.330 3.960 0.073 0.000 0.307 403 G HA3 0.327 4.330 3.960 0.073 0.000 0.307 403 G C -2.978 171.866 174.900 -0.093 0.000 1.307 403 G CA -0.879 44.167 45.100 -0.091 0.000 0.790 403 G HN -0.113 nan 8.290 nan 0.000 0.503 404 P HA 0.364 nan 4.420 nan 0.000 0.220 404 P C -0.777 176.537 177.300 0.023 0.000 1.806 404 P CA -0.049 63.036 63.100 -0.023 0.000 0.976 404 P CB 0.256 31.964 31.700 0.012 0.000 1.952 405 V N 0.945 120.866 119.914 0.011 0.000 2.668 405 V HA 0.777 4.941 4.120 0.073 0.000 0.304 405 V C -0.092 176.038 176.094 0.061 0.000 1.071 405 V CA -0.767 61.581 62.300 0.080 0.000 0.894 405 V CB 1.908 33.791 31.823 0.102 0.000 1.008 405 V HN 0.423 nan 8.190 nan 0.000 0.425 406 A N 3.179 126.049 122.820 0.082 0.000 2.569 406 A HA 0.980 5.343 4.320 0.073 0.000 0.290 406 A C -0.719 176.927 177.584 0.104 0.000 1.136 406 A CA -0.646 51.412 52.037 0.036 0.000 0.710 406 A CB 2.239 21.200 19.000 -0.065 0.000 1.303 406 A HN 0.684 nan 8.150 nan 0.000 0.413 407 S N -0.335 115.382 115.700 0.028 0.000 2.532 407 S HA 0.602 5.116 4.470 0.073 0.000 0.299 407 S C -0.751 173.814 174.600 -0.060 0.000 1.105 407 S CA -0.469 57.761 58.200 0.049 0.000 1.018 407 S CB 1.563 64.766 63.200 0.005 0.000 1.021 407 S HN 0.725 nan 8.310 nan 0.000 0.483 408 V N 2.187 122.096 119.914 -0.008 0.000 2.532 408 V HA 0.895 5.058 4.120 0.073 0.000 0.295 408 V C 0.134 176.242 176.094 0.025 0.000 1.041 408 V CA -0.482 61.806 62.300 -0.020 0.000 0.926 408 V CB 1.293 33.134 31.823 0.030 0.000 0.992 408 V HN 1.017 nan 8.190 nan 0.000 0.457 409 A N 6.362 129.215 122.820 0.056 0.000 2.486 409 A HA 0.928 5.292 4.320 0.073 0.000 0.300 409 A C -3.049 174.704 177.584 0.281 0.000 1.048 409 A CA -1.698 50.454 52.037 0.193 0.000 0.696 409 A CB 2.279 21.459 19.000 0.300 0.000 1.278 409 A HN 0.584 nan 8.150 nan 0.000 0.405 410 P HA 0.434 nan 4.420 nan 0.000 0.278 410 P C -1.364 176.088 177.300 0.253 0.000 1.238 410 P CA 0.131 63.334 63.100 0.171 0.000 0.794 410 P CB 0.527 32.286 31.700 0.097 0.000 0.955 411 Y N -0.141 120.244 120.300 0.141 0.000 2.528 411 Y HA 0.631 5.225 4.550 0.075 0.000 0.335 411 Y C 0.239 176.281 175.900 0.237 0.000 1.093 411 Y CA -1.662 56.523 58.100 0.142 0.000 1.134 411 Y CB 1.247 39.675 38.460 -0.054 0.000 1.253 411 Y HN 0.136 nan 8.280 nan 0.000 0.478 412 R N 2.342 123.191 120.500 0.582 0.000 2.248 412 R HA 0.368 4.752 4.340 0.073 0.000 0.337 412 R C -0.924 175.546 176.300 0.284 0.000 1.085 412 R CA -0.510 55.740 56.100 0.250 0.000 0.934 412 R CB 0.684 31.033 30.300 0.082 0.000 1.034 412 R HN 0.605 nan 8.270 nan 0.000 0.465 413 V N 3.450 123.432 119.914 0.112 0.000 2.673 413 V HA -0.038 4.126 4.120 0.073 0.000 0.303 413 V C 0.683 176.853 176.094 0.127 0.000 1.046 413 V CA 0.493 62.889 62.300 0.161 0.000 1.126 413 V CB 1.227 33.073 31.823 0.039 0.000 0.934 413 V HN 0.718 nan 8.190 nan 0.000 0.487 414 T N 3.455 118.094 114.554 0.143 0.000 2.771 414 T HA 0.252 4.646 4.350 0.073 0.000 0.291 414 T C 0.478 175.215 174.700 0.062 0.000 0.954 414 T CA -0.076 62.075 62.100 0.086 0.000 1.045 414 T CB 0.972 69.890 68.868 0.083 0.000 0.917 414 T HN 0.845 nan 8.240 nan 0.000 0.484 415 T N 3.511 118.088 114.554 0.038 0.000 3.390 415 T HA 0.443 4.836 4.350 0.073 0.000 0.315 415 T C -1.089 173.623 174.700 0.020 0.000 1.799 415 T CA -0.510 61.605 62.100 0.026 0.000 1.553 415 T CB -0.567 68.311 68.868 0.016 0.000 1.002 415 T HN 0.577 nan 8.240 nan 0.000 0.715 416 D N 0.128 120.543 120.400 0.025 0.000 2.692 416 D HA 0.609 5.293 4.640 0.073 0.000 0.290 416 D C -0.801 175.514 176.300 0.024 0.000 1.281 416 D CA -0.128 53.884 54.000 0.020 0.000 0.804 416 D CB 2.128 42.937 40.800 0.016 0.000 1.331 416 D HN 0.361 nan 8.370 nan 0.000 0.432 421 P HA -0.167 nan 4.420 nan 0.000 0.217 421 P C 0.510 177.945 177.300 0.225 0.000 1.148 421 P CA 1.330 64.529 63.100 0.165 0.000 0.834 421 P CB 0.321 32.098 31.700 0.128 0.000 0.783 422 E N -1.355 118.950 120.200 0.175 0.000 2.437 422 E HA 0.197 4.591 4.350 0.073 0.000 0.189 422 E C 1.778 178.309 176.600 -0.114 0.000 1.054 422 E CA 0.171 56.570 56.400 -0.003 0.000 0.874 422 E CB -0.753 28.927 29.700 -0.033 0.000 1.011 422 E HN 0.112 nan 8.360 nan 0.000 0.474 423 A N 0.539 123.363 122.820 0.008 0.000 1.903 423 A HA -0.339 4.025 4.320 0.073 0.000 0.219 423 A C 2.060 179.640 177.584 -0.006 0.000 1.191 423 A CA 2.115 54.153 52.037 0.001 0.000 0.638 423 A CB -0.785 18.239 19.000 0.040 0.000 0.823 423 A HN 0.563 nan 8.150 nan 0.000 0.451 424 H N -0.775 118.245 119.070 -0.083 0.000 2.357 424 H HA -0.024 4.575 4.556 0.073 0.000 0.301 424 H C 2.348 177.517 175.328 -0.266 0.000 1.082 424 H CA 1.093 57.086 56.048 -0.092 0.000 1.342 424 H CB -0.043 29.756 29.762 0.062 0.000 1.389 424 H HN 0.474 nan 8.280 nan 0.000 0.511 425 A N 0.537 123.001 122.820 -0.594 0.000 1.940 425 A HA -0.143 4.221 4.320 0.073 0.000 0.219 425 A C 2.670 179.951 177.584 -0.505 0.000 1.176 425 A CA 1.649 53.200 52.037 -0.810 0.000 0.631 425 A CB -0.867 17.455 19.000 -1.130 0.000 0.814 425 A HN 0.322 nan 8.150 nan 0.000 0.446 426 V N -0.228 119.501 119.914 -0.308 0.000 2.295 426 V HA -0.247 3.916 4.120 0.073 0.000 0.246 426 V C 3.052 179.057 176.094 -0.149 0.000 1.049 426 V CA 1.933 64.133 62.300 -0.167 0.000 1.024 426 V CB -1.308 30.454 31.823 -0.101 0.000 0.648 426 V HN 0.623 nan 8.190 nan 0.000 0.447 427 A N -0.282 122.445 122.820 -0.154 0.000 1.902 427 A HA -0.161 4.202 4.320 0.073 0.000 0.217 427 A C 2.235 179.681 177.584 -0.230 0.000 1.181 427 A CA 1.829 53.791 52.037 -0.125 0.000 0.623 427 A CB -0.527 18.456 19.000 -0.029 0.000 0.818 427 A HN 0.505 nan 8.150 nan 0.000 0.443 428 L N -0.974 119.993 121.223 -0.426 0.000 2.056 428 L HA -0.163 4.221 4.340 0.073 0.000 0.207 428 L C 3.128 179.728 176.870 -0.450 0.000 1.078 428 L CA 0.962 55.424 54.840 -0.629 0.000 0.749 428 L CB -0.574 40.767 42.059 -1.197 0.000 0.901 428 L HN 0.441 nan 8.230 nan 0.000 0.433 429 A N 0.061 122.691 122.820 -0.317 0.000 1.908 429 A HA -0.272 4.092 4.320 0.073 0.000 0.218 429 A C 2.407 180.051 177.584 0.101 0.000 1.181 429 A CA 1.849 53.949 52.037 0.106 0.000 0.627 429 A CB -0.631 18.489 19.000 0.201 0.000 0.818 429 A HN 0.320 nan 8.150 nan 0.000 0.445 430 R N -0.729 119.772 120.500 0.003 0.000 2.159 430 R HA -0.119 4.264 4.340 0.073 0.000 0.237 430 R C 2.084 178.335 176.300 -0.083 0.000 1.131 430 R CA 1.030 57.106 56.100 -0.041 0.000 0.982 430 R CB -0.163 30.109 30.300 -0.048 0.000 0.868 430 R HN 0.367 nan 8.270 nan 0.000 0.453 431 R N -0.665 119.743 120.500 -0.152 0.000 2.241 431 R HA -0.073 4.310 4.340 0.073 0.000 0.224 431 R C 1.916 178.179 176.300 -0.062 0.000 1.101 431 R CA 1.153 57.123 56.100 -0.217 0.000 0.995 431 R CB -0.544 29.371 30.300 -0.641 0.000 0.870 431 R HN 0.338 nan 8.270 nan 0.000 0.463 432 G N 0.505 109.325 108.800 0.033 0.000 2.708 432 G HA2 -0.184 3.820 3.960 0.073 0.000 0.210 432 G HA3 -0.184 3.820 3.960 0.073 0.000 0.210 432 G C 0.397 175.311 174.900 0.023 0.000 1.141 432 G CA -0.118 45.038 45.100 0.093 0.000 0.788 432 G HN 0.284 nan 8.290 nan 0.000 0.531 433 Q N -1.660 118.126 119.800 -0.023 0.000 2.503 433 Q HA -0.147 4.237 4.340 0.073 0.000 0.267 433 Q C 0.614 176.578 176.000 -0.060 0.000 1.030 433 Q CA 1.006 56.788 55.803 -0.036 0.000 1.041 433 Q CB -2.144 26.588 28.738 -0.010 0.000 1.406 433 Q HN 1.638 nan 8.270 nan 0.000 0.524 434 G N -0.521 108.211 108.800 -0.113 0.000 3.367 434 G HA2 0.049 4.053 3.960 0.073 0.000 0.686 434 G HA3 0.049 4.053 3.960 0.073 0.000 0.686 434 G C -0.511 174.306 174.900 -0.138 0.000 1.146 434 G CA -0.157 44.849 45.100 -0.156 0.000 0.913 434 G HN 0.293 nan 8.290 nan 0.000 0.554 435 S N 1.584 117.154 115.700 -0.218 0.000 2.599 435 S HA 0.658 5.172 4.470 0.073 0.000 0.287 435 S C 1.574 176.165 174.600 -0.015 0.000 1.105 435 S CA -0.696 57.459 58.200 -0.076 0.000 0.899 435 S CB 2.076 65.289 63.200 0.021 0.000 1.100 435 S HN 0.643 nan 8.310 nan 0.000 0.482 436 L N 0.771 122.015 121.223 0.036 0.000 2.017 436 L HA 0.082 4.465 4.340 0.073 0.000 0.208 436 L C 0.591 177.513 176.870 0.086 0.000 1.073 436 L CA 1.194 56.052 54.840 0.030 0.000 0.745 436 L CB -0.130 41.956 42.059 0.044 0.000 0.894 436 L HN 0.416 nan 8.230 nan 0.000 0.432 437 V N -1.100 118.900 119.914 0.143 0.000 2.969 437 V HA 0.754 4.918 4.120 0.073 0.000 0.304 437 V C -1.509 174.696 176.094 0.184 0.000 1.192 437 V CA -0.563 61.785 62.300 0.080 0.000 0.962 437 V CB 2.014 33.722 31.823 -0.191 0.000 1.045 437 V HN 0.030 nan 8.190 nan 0.000 0.428 438 A N 4.101 126.924 122.820 0.005 0.000 2.355 438 A HA 0.938 5.302 4.320 0.073 0.000 0.317 438 A C -0.186 177.411 177.584 0.022 0.000 1.094 438 A CA -0.068 51.934 52.037 -0.059 0.000 0.764 438 A CB 1.707 20.358 19.000 -0.581 0.000 1.230 438 A HN 1.507 nan 8.150 nan 0.000 0.448 439 S N 1.409 117.253 115.700 0.240 0.000 2.593 439 S HA 0.839 5.353 4.470 0.073 0.000 0.297 439 S C -0.226 174.441 174.600 0.112 0.000 1.112 439 S CA -0.552 57.767 58.200 0.197 0.000 1.043 439 S CB 1.007 64.473 63.200 0.443 0.000 1.054 439 S HN 1.173 nan 8.310 nan 0.000 0.516 440 I N -1.186 119.270 120.570 -0.189 0.000 2.686 440 I HA 0.650 4.864 4.170 0.073 0.000 0.295 440 I C -2.038 173.871 176.117 -0.348 0.000 1.114 440 I CA -1.284 59.964 61.300 -0.087 0.000 1.038 440 I CB 1.675 39.645 38.000 -0.050 0.000 1.238 440 I HN 0.657 nan 8.210 nan 0.000 0.420 441 Y N 3.367 123.734 120.300 0.111 0.000 2.346 441 Y HA 0.712 5.306 4.550 0.073 0.000 0.332 441 Y C 0.161 176.113 175.900 0.087 0.000 0.985 441 Y CA -0.634 57.534 58.100 0.114 0.000 1.112 441 Y CB 2.181 40.742 38.460 0.169 0.000 1.170 441 Y HN 0.771 nan 8.280 nan 0.000 0.447 442 S N 1.182 116.996 115.700 0.189 0.000 2.565 442 S HA 0.324 4.837 4.470 0.073 0.000 0.269 442 S C -0.238 174.434 174.600 0.119 0.000 1.153 442 S CA -0.830 57.460 58.200 0.150 0.000 0.835 442 S CB 0.998 64.291 63.200 0.156 0.000 1.122 442 S HN 0.759 nan 8.310 nan 0.000 0.462 443 N N 1.363 120.122 118.700 0.097 0.000 2.463 443 N HA 0.007 4.791 4.740 0.073 0.000 0.181 443 N C -0.564 174.982 175.510 0.060 0.000 1.078 443 N CA 0.396 53.492 53.050 0.076 0.000 0.902 443 N CB 0.032 38.557 38.487 0.062 0.000 0.970 443 N HN 0.561 nan 8.380 nan 0.000 0.451 444 D N 1.126 121.566 120.400 0.068 0.000 2.473 444 D HA 0.114 4.798 4.640 0.073 0.000 0.226 444 D C 0.196 176.547 176.300 0.085 0.000 1.089 444 D CA -0.471 53.570 54.000 0.069 0.000 0.883 444 D CB 0.786 41.622 40.800 0.060 0.000 1.029 444 D HN -0.162 nan 8.370 nan 0.000 0.517 445 D N 2.522 122.953 120.400 0.053 0.000 2.123 445 D HA -0.172 4.512 4.640 0.073 0.000 0.196 445 D C 1.869 178.187 176.300 0.031 0.000 0.992 445 D CA 1.446 55.464 54.000 0.030 0.000 0.833 445 D CB -0.020 40.789 40.800 0.015 0.000 0.954 445 D HN 0.538 nan 8.370 nan 0.000 0.455 446 A N 0.217 123.064 122.820 0.045 0.000 1.908 446 A HA -0.255 4.109 4.320 0.073 0.000 0.218 446 A C 2.065 179.683 177.584 0.056 0.000 1.181 446 A CA 2.087 54.149 52.037 0.041 0.000 0.627 446 A CB -0.981 18.046 19.000 0.045 0.000 0.818 446 A HN 0.355 nan 8.150 nan 0.000 0.445 447 H N -0.135 118.934 119.070 -0.001 0.000 2.387 447 H HA -0.019 4.581 4.556 0.074 0.000 0.299 447 H C 1.724 177.047 175.328 -0.008 0.000 1.090 447 H CA 1.866 57.915 56.048 0.001 0.000 1.332 447 H CB -0.264 29.505 29.762 0.011 0.000 1.386 447 H HN 0.384 nan 8.280 nan 0.000 0.516 448 L N -0.751 120.463 121.223 -0.015 0.000 2.046 448 L HA -0.114 4.270 4.340 0.073 0.000 0.208 448 L C 2.832 179.632 176.870 -0.117 0.000 1.077 448 L CA 1.142 55.933 54.840 -0.081 0.000 0.747 448 L CB -0.833 41.200 42.059 -0.043 0.000 0.896 448 L HN 0.498 nan 8.230 nan 0.000 0.432 449 G N -0.234 108.515 108.800 -0.084 0.000 2.446 449 G HA2 -0.262 3.741 3.960 0.073 0.000 0.217 449 G HA3 -0.262 3.741 3.960 0.073 0.000 0.217 449 G C 1.745 176.588 174.900 -0.095 0.000 1.168 449 G CA 0.620 45.674 45.100 -0.077 0.000 0.771 449 G HN 0.275 nan 8.290 nan 0.000 0.551 450 R N -0.714 119.712 120.500 -0.123 0.000 2.073 450 R HA 0.001 4.385 4.340 0.073 0.000 0.234 450 R C 2.497 178.692 176.300 -0.174 0.000 1.134 450 R CA 1.196 57.214 56.100 -0.138 0.000 0.952 450 R CB -0.564 29.649 30.300 -0.145 0.000 0.850 450 R HN 0.360 nan 8.270 nan 0.000 0.433 451 L N 0.830 121.889 121.223 -0.273 0.000 2.083 451 L HA -0.081 4.303 4.340 0.073 0.000 0.209 451 L C 2.211 178.997 176.870 -0.139 0.000 1.083 451 L CA 1.869 56.572 54.840 -0.229 0.000 0.752 451 L CB -0.693 41.200 42.059 -0.277 0.000 0.899 451 L HN 0.147 nan 8.230 nan 0.000 0.433 452 A N -0.423 122.322 122.820 -0.125 0.000 1.908 452 A HA -0.220 4.144 4.320 0.073 0.000 0.218 452 A C 2.284 179.828 177.584 -0.065 0.000 1.181 452 A CA 2.160 54.141 52.037 -0.093 0.000 0.627 452 A CB -0.992 17.956 19.000 -0.087 0.000 0.818 452 A HN 0.505 nan 8.150 nan 0.000 0.445 453 L N -0.622 120.564 121.223 -0.062 0.000 2.191 453 L HA -0.155 4.229 4.340 0.073 0.000 0.212 453 L C 2.444 179.295 176.870 -0.032 0.000 1.103 453 L CA 1.035 55.851 54.840 -0.040 0.000 0.769 453 L CB -0.431 41.604 42.059 -0.039 0.000 0.908 453 L HN 0.375 nan 8.230 nan 0.000 0.438 454 E N 0.010 120.182 120.200 -0.046 0.000 2.274 454 E HA -0.100 4.294 4.350 0.073 0.000 0.194 454 E C 2.145 178.739 176.600 -0.010 0.000 0.996 454 E CA 0.932 57.312 56.400 -0.034 0.000 0.840 454 E CB 0.108 29.777 29.700 -0.052 0.000 0.772 454 E HN 0.515 nan 8.360 nan 0.000 0.491 455 L N -0.175 121.041 121.223 -0.011 0.000 2.529 455 L HA 0.148 4.532 4.340 0.073 0.000 0.223 455 L C 2.249 179.205 176.870 0.142 0.000 1.113 455 L CA 0.267 55.136 54.840 0.048 0.000 0.861 455 L CB -0.084 41.914 42.059 -0.101 0.000 1.012 455 L HN -0.025 nan 8.230 nan 0.000 0.461 456 A N 1.077 123.933 122.820 0.061 0.000 1.972 456 A HA -0.245 4.119 4.320 0.073 0.000 0.219 456 A C 1.829 179.449 177.584 0.061 0.000 1.169 456 A CA 1.985 54.057 52.037 0.059 0.000 0.635 456 A CB -0.499 18.512 19.000 0.019 0.000 0.810 456 A HN 0.581 nan 8.150 nan 0.000 0.446 457 D N -0.392 120.034 120.400 0.044 0.000 2.363 457 D HA -0.058 4.626 4.640 0.073 0.000 0.220 457 D C 1.344 177.641 176.300 -0.006 0.000 0.994 457 D CA 1.313 55.322 54.000 0.015 0.000 0.890 457 D CB -0.354 40.448 40.800 0.003 0.000 0.906 457 D HN 0.458 nan 8.370 nan 0.000 0.530 458 S N -2.102 113.601 115.700 0.005 0.000 2.666 458 S HA 0.200 4.714 4.470 0.073 0.000 0.239 458 S C -0.293 174.073 174.600 -0.390 0.000 1.031 458 S CA -0.693 57.416 58.200 -0.151 0.000 1.015 458 S CB -0.314 62.785 63.200 -0.167 0.000 0.981 458 S HN 0.222 nan 8.310 nan 0.000 0.547 459 H N -0.210 118.859 119.070 -0.002 0.000 2.667 459 H HA 0.627 5.228 4.556 0.074 0.000 0.353 459 H C 1.199 176.522 175.328 -0.008 0.000 1.072 459 H CA -0.234 55.815 56.048 0.002 0.000 1.214 459 H CB 1.561 31.331 29.762 0.013 0.000 1.600 459 H HN 0.125 nan 8.280 nan 0.000 0.527 460 G N 1.906 110.750 108.800 0.072 0.000 2.443 460 G HA2 -0.138 3.866 3.960 0.073 0.000 0.219 460 G HA3 -0.138 3.866 3.960 0.073 0.000 0.219 460 G C 0.497 175.428 174.900 0.052 0.000 1.131 460 G CA 0.429 45.548 45.100 0.032 0.000 0.775 460 G HN 0.485 nan 8.290 nan 0.000 0.547 461 R N -0.988 119.555 120.500 0.073 0.000 2.604 461 R HA 0.514 4.897 4.340 0.073 0.000 0.281 461 R C -1.943 174.376 176.300 0.032 0.000 1.020 461 R CA -0.504 55.624 56.100 0.046 0.000 0.899 461 R CB 2.245 32.565 30.300 0.033 0.000 1.205 461 R HN -0.073 nan 8.270 nan 0.000 0.450 462 V N 4.101 124.018 119.914 0.007 0.000 2.448 462 V HA 0.376 4.540 4.120 0.073 0.000 0.295 462 V C -0.636 175.449 176.094 -0.016 0.000 1.025 462 V CA -0.690 61.590 62.300 -0.034 0.000 0.859 462 V CB 1.452 33.238 31.823 -0.062 0.000 0.988 462 V HN 0.698 nan 8.190 nan 0.000 0.431 463 H N 4.187 123.176 119.070 -0.135 0.000 2.708 463 H HA 0.689 5.288 4.556 0.072 0.000 0.320 463 H C -0.612 174.603 175.328 -0.188 0.000 0.991 463 H CA -0.336 55.624 56.048 -0.146 0.000 1.243 463 H CB 1.747 31.411 29.762 -0.163 0.000 1.446 463 H HN 0.774 nan 8.280 nan 0.000 0.502 464 A N 7.137 129.711 122.820 -0.410 0.000 2.260 464 A HA 0.502 4.865 4.320 0.073 0.000 0.314 464 A C -0.397 176.961 177.584 -0.376 0.000 1.257 464 A CA -0.632 51.203 52.037 -0.336 0.000 0.871 464 A CB 0.207 19.078 19.000 -0.215 0.000 1.166 464 A HN 0.684 nan 8.150 nan 0.000 0.522 465 I N 2.762 123.101 120.570 -0.386 0.000 2.404 465 I HA 0.506 4.719 4.170 0.073 0.000 0.293 465 I C 0.283 176.363 176.117 -0.063 0.000 0.992 465 I CA -0.061 61.106 61.300 -0.221 0.000 1.149 465 I CB 2.098 40.009 38.000 -0.148 0.000 1.315 465 I HN 0.763 nan 8.210 nan 0.000 0.446 466 S N 4.643 120.344 115.700 0.001 0.000 2.607 466 S HA 0.531 5.045 4.470 0.073 0.000 0.273 466 S C -2.507 172.137 174.600 0.073 0.000 1.148 466 S CA -1.316 56.916 58.200 0.053 0.000 0.833 466 S CB 1.979 65.194 63.200 0.025 0.000 1.130 466 S HN 0.223 nan 8.310 nan 0.000 0.470 467 P HA -0.163 nan 4.420 nan 0.000 0.216 467 P C 1.771 179.131 177.300 0.099 0.000 1.153 467 P CA 2.210 65.365 63.100 0.091 0.000 0.858 467 P CB -0.204 31.542 31.700 0.077 0.000 0.789 468 S N -0.955 114.795 115.700 0.083 0.000 2.442 468 S HA -0.097 4.417 4.470 0.073 0.000 0.236 468 S C 1.450 176.147 174.600 0.162 0.000 1.007 468 S CA 1.432 59.694 58.200 0.103 0.000 0.965 468 S CB -1.421 61.818 63.200 0.065 0.000 0.773 468 S HN 0.165 nan 8.310 nan 0.000 0.504 469 V N -0.450 119.515 119.914 0.084 0.000 3.159 469 V HA 0.316 4.480 4.120 0.073 0.000 0.333 469 V C 1.817 177.899 176.094 -0.020 0.000 1.424 469 V CA 0.001 62.282 62.300 -0.033 0.000 1.125 469 V CB -0.807 30.952 31.823 -0.108 0.000 1.075 469 V HN 0.532 nan 8.190 nan 0.000 0.482 470 Q N 1.595 121.469 119.800 0.123 0.000 2.173 470 Q HA -0.294 4.089 4.340 0.073 0.000 0.208 470 Q C 1.976 178.043 176.000 0.111 0.000 0.989 470 Q CA 2.554 58.431 55.803 0.123 0.000 0.872 470 Q CB -0.892 27.933 28.738 0.144 0.000 0.909 470 Q HN 0.909 nan 8.270 nan 0.000 0.420 471 H N -0.422 118.659 119.070 0.018 0.000 2.562 471 H HA 0.246 4.847 4.556 0.074 0.000 0.267 471 H C 1.268 176.600 175.328 0.007 0.000 0.959 471 H CA 1.020 57.076 56.048 0.012 0.000 1.204 471 H CB 0.267 30.035 29.762 0.010 0.000 1.430 471 H HN 0.452 nan 8.280 nan 0.000 0.545 472 S N -0.100 115.250 115.700 -0.585 0.000 2.593 472 S HA 0.012 4.526 4.470 0.073 0.000 0.235 472 S C 0.775 175.242 174.600 -0.221 0.000 1.059 472 S CA -0.326 57.598 58.200 -0.461 0.000 0.953 472 S CB 0.072 62.873 63.200 -0.666 0.000 0.897 472 S HN 0.418 nan 8.310 nan 0.000 0.507 473 Q N 2.734 122.434 119.800 -0.167 0.000 2.315 473 Q HA 0.307 4.691 4.340 0.073 0.000 0.289 473 Q C 0.593 176.604 176.000 0.018 0.000 1.044 473 Q CA 0.838 56.599 55.803 -0.070 0.000 0.920 473 Q CB -0.005 28.706 28.738 -0.045 0.000 1.214 473 Q HN 0.313 nan 8.270 nan 0.000 0.392 474 T N -0.351 114.262 114.554 0.099 0.000 3.107 474 T HA 0.445 4.838 4.350 0.073 0.000 0.249 474 T C 0.729 175.420 174.700 -0.015 0.000 1.096 474 T CA -0.183 61.933 62.100 0.026 0.000 1.012 474 T CB -0.519 68.341 68.868 -0.013 0.000 0.977 474 T HN 1.369 nan 8.240 nan 0.000 0.527 475 G N 0.940 109.759 108.800 0.030 0.000 2.911 475 G HA2 -0.158 3.846 3.960 0.073 0.000 0.686 475 G HA3 -0.158 3.846 3.960 0.073 0.000 0.686 475 G C 0.112 174.662 174.900 -0.583 0.000 1.136 475 G CA -0.059 44.951 45.100 -0.149 0.000 0.764 475 G HN 0.371 nan 8.290 nan 0.000 0.626 476 H N 1.371 120.115 119.070 -0.543 0.000 2.289 476 H HA -0.149 4.452 4.556 0.075 0.000 0.296 476 H C 2.497 177.603 175.328 -0.370 0.000 1.091 476 H CA 3.327 59.056 56.048 -0.532 0.000 1.274 476 H CB -0.318 29.355 29.762 -0.148 0.000 1.364 476 H HN 0.850 nan 8.280 nan 0.000 0.490 477 G N 0.840 109.610 108.800 -0.051 0.000 2.683 477 G HA2 -0.093 3.911 3.960 0.073 0.000 0.213 477 G HA3 -0.093 3.911 3.960 0.073 0.000 0.213 477 G C 0.495 175.273 174.900 -0.202 0.000 1.142 477 G CA -0.378 44.694 45.100 -0.047 0.000 0.793 477 G HN 0.301 nan 8.290 nan 0.000 0.534 478 N N 0.894 119.443 118.700 -0.251 0.000 2.483 478 N HA 0.174 4.957 4.740 0.073 0.000 0.264 478 N C -0.526 174.789 175.510 -0.326 0.000 1.197 478 N CA 0.095 52.955 53.050 -0.318 0.000 0.927 478 N CB 2.166 40.491 38.487 -0.271 0.000 1.065 478 N HN -0.163 nan 8.380 nan 0.000 0.461 479 V N 4.513 124.171 119.914 -0.427 0.000 2.320 479 V HA 0.162 4.326 4.120 0.073 0.000 0.265 479 V C 0.433 176.428 176.094 -0.165 0.000 1.048 479 V CA -0.529 61.584 62.300 -0.311 0.000 0.865 479 V CB 0.362 31.902 31.823 -0.471 0.000 1.043 479 V HN 0.499 nan 8.190 nan 0.000 0.474 480 M N 8.253 127.788 119.600 -0.109 0.000 2.188 480 M HA 0.248 4.771 4.480 0.073 0.000 0.354 480 M C -1.094 175.194 176.300 -0.021 0.000 1.342 480 M CA -2.577 52.679 55.300 -0.073 0.000 1.117 480 M CB 0.951 33.502 32.600 -0.081 0.000 1.670 480 M HN 0.266 nan 8.290 nan 0.000 0.466 481 P HA -0.107 nan 4.420 nan 0.000 0.223 481 P C 1.173 178.399 177.300 -0.123 0.000 1.151 481 P CA 1.096 64.209 63.100 0.023 0.000 0.787 481 P CB -0.115 31.631 31.700 0.075 0.000 0.788 482 M N -2.389 116.990 119.600 -0.369 0.000 2.557 482 M HA 0.121 4.645 4.480 0.073 0.000 0.259 482 M C 0.333 176.635 176.300 0.004 0.000 1.086 482 M CA 0.893 56.089 55.300 -0.174 0.000 1.096 482 M CB -1.364 31.114 32.600 -0.203 0.000 1.424 482 M HN -0.276 nan 8.290 nan 0.000 0.488 483 S N 1.582 117.289 115.700 0.011 0.000 2.549 483 S HA 0.600 5.114 4.470 0.073 0.000 0.297 483 S C -0.377 174.282 174.600 0.099 0.000 1.115 483 S CA -0.845 57.384 58.200 0.049 0.000 1.059 483 S CB 2.067 65.285 63.200 0.030 0.000 1.046 483 S HN 0.359 nan 8.310 nan 0.000 0.506 484 L N 3.003 124.283 121.223 0.095 0.000 2.514 484 L HA 0.160 4.543 4.340 0.073 0.000 0.280 484 L C -0.190 176.773 176.870 0.154 0.000 1.223 484 L CA 0.919 55.825 54.840 0.110 0.000 0.864 484 L CB -0.001 42.099 42.059 0.067 0.000 1.118 484 L HN 0.735 nan 8.230 nan 0.000 0.494 485 H N 3.278 122.374 119.070 0.044 0.000 2.609 485 H HA 0.754 5.356 4.556 0.077 0.000 0.344 485 H C -0.242 175.094 175.328 0.012 0.000 1.040 485 H CA 0.003 56.077 56.048 0.042 0.000 1.216 485 H CB 1.168 30.986 29.762 0.094 0.000 1.529 485 H HN 0.789 nan 8.280 nan 0.000 0.519 486 G N 1.662 110.183 108.800 -0.465 0.000 2.369 486 G HA2 0.470 4.474 3.960 0.073 0.000 0.307 486 G HA3 0.470 4.474 3.960 0.073 0.000 0.307 486 G C -0.980 173.811 174.900 -0.181 0.000 1.327 486 G CA -0.271 44.617 45.100 -0.354 0.000 0.963 486 G HN 1.101 nan 8.290 nan 0.000 0.590 487 G N -0.542 108.177 108.800 -0.135 0.000 2.601 487 G HA2 0.878 4.882 3.960 0.073 0.000 0.291 487 G HA3 0.878 4.882 3.960 0.073 0.000 0.291 487 G C -3.311 171.542 174.900 -0.077 0.000 1.456 487 G CA -0.279 44.771 45.100 -0.084 0.000 0.804 487 G HN 0.688 nan 8.290 nan 0.000 0.499 488 P HA 0.466 nan 4.420 nan 0.000 0.276 488 P C 1.127 178.388 177.300 -0.066 0.000 1.252 488 P CA 1.238 64.299 63.100 -0.064 0.000 0.802 488 P CB 1.317 32.979 31.700 -0.064 0.000 1.035 489 G N 1.389 110.159 108.800 -0.051 0.000 2.596 489 G HA2 -0.395 3.609 3.960 0.073 0.000 0.304 489 G HA3 -0.395 3.609 3.960 0.073 0.000 0.304 489 G C 1.249 176.128 174.900 -0.035 0.000 1.189 489 G CA 0.781 45.855 45.100 -0.043 0.000 0.986 489 G HN 0.663 nan 8.290 nan 0.000 0.548 490 R N 0.927 121.409 120.500 -0.030 0.000 2.105 490 R HA 0.077 4.461 4.340 0.073 0.000 0.239 490 R C 3.009 179.301 176.300 -0.015 0.000 1.135 490 R CA 2.336 58.428 56.100 -0.014 0.000 0.967 490 R CB -0.654 29.645 30.300 -0.002 0.000 0.861 490 R HN 0.920 nan 8.270 nan 0.000 0.442 491 A N -0.831 121.971 122.820 -0.030 0.000 2.216 491 A HA 0.077 4.441 4.320 0.073 0.000 0.214 491 A C 1.497 179.051 177.584 -0.049 0.000 1.160 491 A CA 1.300 53.315 52.037 -0.037 0.000 0.725 491 A CB -0.238 18.730 19.000 -0.053 0.000 0.784 491 A HN 0.626 nan 8.150 nan 0.000 0.472 492 G N -3.373 105.403 108.800 -0.041 0.000 2.255 492 G HA2 0.209 4.212 3.960 0.073 0.000 0.196 492 G HA3 0.209 4.212 3.960 0.073 0.000 0.196 492 G C 1.436 176.306 174.900 -0.050 0.000 0.998 492 G CA 0.626 45.705 45.100 -0.036 0.000 0.656 492 G HN 1.999 nan 8.290 nan 0.000 0.490 493 G N -0.450 108.314 108.800 -0.060 0.000 2.155 493 G HA2 0.208 4.211 3.960 0.073 0.000 0.257 493 G HA3 0.208 4.211 3.960 0.073 0.000 0.257 493 G C 1.236 176.093 174.900 -0.071 0.000 0.983 493 G CA 1.136 46.202 45.100 -0.057 0.000 0.676 493 G HN 2.026 nan 8.290 nan 0.000 0.528 494 G N -0.964 107.776 108.800 -0.099 0.000 2.528 494 G HA2 0.627 4.631 3.960 0.073 0.000 0.289 494 G HA3 0.627 4.631 3.960 0.073 0.000 0.289 494 G C -0.422 174.392 174.900 -0.142 0.000 1.192 494 G CA -0.361 44.657 45.100 -0.136 0.000 0.921 494 G HN 0.382 nan 8.290 nan 0.000 0.512 495 E N -0.052 120.048 120.200 -0.167 0.000 2.278 495 E HA 0.305 4.699 4.350 0.073 0.000 0.272 495 E C -1.083 175.425 176.600 -0.154 0.000 0.890 495 E CA -0.404 55.923 56.400 -0.121 0.000 0.770 495 E CB 2.653 32.315 29.700 -0.063 0.000 1.212 495 E HN 0.573 nan 8.360 nan 0.000 0.415 496 E N 2.291 122.448 120.200 -0.071 0.000 2.392 496 E HA 0.528 4.922 4.350 0.073 0.000 0.269 496 E C 0.035 176.699 176.600 0.107 0.000 0.924 496 E CA -0.778 55.608 56.400 -0.025 0.000 0.784 496 E CB 2.164 31.862 29.700 -0.004 0.000 1.292 496 E HN 0.363 nan 8.360 nan 0.000 0.447 497 L N -0.178 121.135 121.223 0.150 0.000 6.963 497 L HA -0.381 4.002 4.340 0.073 0.000 0.053 497 L C 1.004 178.036 176.870 0.270 0.000 1.740 497 L CA 1.192 56.200 54.840 0.280 0.000 1.613 497 L CB -1.457 40.766 42.059 0.273 0.000 2.780 497 L HN 0.997 nan 8.230 nan 0.000 1.092 498 G N 0.034 108.974 108.800 0.233 0.000 2.246 498 G HA2 0.177 4.181 3.960 0.073 0.000 0.273 498 G HA3 0.177 4.181 3.960 0.073 0.000 0.273 498 G C 1.209 176.239 174.900 0.218 0.000 1.055 498 G CA 1.024 46.231 45.100 0.178 0.000 0.851 498 G HN 2.323 nan 8.290 nan 0.000 0.500 499 G N -0.494 108.493 108.800 0.312 0.000 2.591 499 G HA2 -0.324 3.679 3.960 0.073 0.000 0.298 499 G HA3 -0.324 3.679 3.960 0.073 0.000 0.298 499 G C 1.228 176.297 174.900 0.282 0.000 1.195 499 G CA 0.771 46.037 45.100 0.277 0.000 0.989 499 G HN 1.267 nan 8.290 nan 0.000 0.551 500 L N 1.138 122.453 121.223 0.154 0.000 2.353 500 L HA -0.001 4.383 4.340 0.073 0.000 0.220 500 L C 3.139 180.112 176.870 0.171 0.000 1.133 500 L CA 1.431 56.362 54.840 0.151 0.000 0.798 500 L CB -0.405 41.681 42.059 0.044 0.000 0.922 500 L HN 0.458 nan 8.230 nan 0.000 0.445 501 R N 0.151 120.751 120.500 0.168 0.000 2.127 501 R HA -0.150 4.233 4.340 0.073 0.000 0.238 501 R C 2.412 178.825 176.300 0.188 0.000 1.134 501 R CA 1.248 57.434 56.100 0.145 0.000 0.975 501 R CB -0.452 29.920 30.300 0.120 0.000 0.865 501 R HN 0.347 nan 8.270 nan 0.000 0.447 502 A N 1.150 124.126 122.820 0.259 0.000 2.070 502 A HA -0.099 4.265 4.320 0.073 0.000 0.220 502 A C 2.054 179.864 177.584 0.376 0.000 1.159 502 A CA 1.027 53.232 52.037 0.279 0.000 0.656 502 A CB -0.419 18.753 19.000 0.286 0.000 0.800 502 A HN 0.194 nan 8.150 nan 0.000 0.453 503 L N -1.156 120.281 121.223 0.357 0.000 2.217 503 L HA -0.124 4.260 4.340 0.073 0.000 0.211 503 L C 2.986 180.146 176.870 0.484 0.000 1.107 503 L CA 0.739 55.854 54.840 0.458 0.000 0.783 503 L CB -0.689 41.547 42.059 0.295 0.000 0.919 503 L HN 0.429 nan 8.230 nan 0.000 0.442 504 A N 0.481 123.476 122.820 0.291 0.000 1.940 504 A HA -0.285 4.079 4.320 0.073 0.000 0.219 504 A C 2.152 179.890 177.584 0.258 0.000 1.176 504 A CA 1.565 53.741 52.037 0.232 0.000 0.631 504 A CB -0.821 18.270 19.000 0.151 0.000 0.814 504 A HN 0.403 nan 8.150 nan 0.000 0.446 505 F N -0.695 119.268 119.950 0.022 0.000 2.202 505 F HA -0.160 4.365 4.527 -0.004 0.000 0.301 505 F C 1.568 177.199 175.800 -0.283 0.000 1.082 505 F CA 1.304 59.183 58.000 -0.202 0.000 1.313 505 F CB -0.250 38.493 39.000 -0.429 0.000 1.024 505 F HN 0.338 nan 8.300 nan 0.000 0.495 506 Y N -2.030 118.368 120.300 0.164 0.000 2.457 506 Y HA 0.179 4.792 4.550 0.106 0.000 0.263 506 Y C 0.312 176.145 175.900 -0.112 0.000 1.164 506 Y CA -0.105 57.986 58.100 -0.016 0.000 1.274 506 Y CB -0.474 38.013 38.460 0.046 0.000 1.097 506 Y HN -0.039 nan 8.280 nan 0.000 0.523 507 H N -0.958 118.195 119.070 0.138 0.000 2.710 507 H HA 0.589 5.184 4.556 0.064 0.000 0.361 507 H C -0.502 174.870 175.328 0.074 0.000 1.175 507 H CA -1.306 54.815 56.048 0.121 0.000 1.206 507 H CB 1.226 31.077 29.762 0.149 0.000 1.750 507 H HN -0.207 nan 8.280 nan 0.000 0.553 508 R N 0.844 121.463 120.500 0.199 0.000 2.407 508 R HA 0.390 4.774 4.340 0.073 0.000 0.303 508 R C -0.812 175.581 176.300 0.155 0.000 0.981 508 R CA -0.770 55.418 56.100 0.147 0.000 0.905 508 R CB 0.736 31.101 30.300 0.107 0.000 1.099 508 R HN 0.655 nan 8.270 nan 0.000 0.459 509 R N 2.244 122.822 120.500 0.129 0.000 2.297 509 R HA 0.484 4.868 4.340 0.073 0.000 0.308 509 R C -1.049 175.325 176.300 0.123 0.000 1.029 509 R CA -0.119 56.055 56.100 0.122 0.000 0.929 509 R CB 0.990 31.354 30.300 0.107 0.000 1.046 509 R HN 0.789 nan 8.270 nan 0.000 0.461 510 S N 1.899 117.671 115.700 0.120 0.000 2.541 510 S HA 0.578 5.091 4.470 0.073 0.000 0.280 510 S C -1.267 173.348 174.600 0.024 0.000 1.112 510 S CA -0.847 57.401 58.200 0.081 0.000 0.925 510 S CB 2.061 65.288 63.200 0.045 0.000 1.067 510 S HN 0.749 nan 8.310 nan 0.000 0.479 511 A N 2.960 125.737 122.820 -0.072 0.000 2.276 511 A HA 0.643 5.007 4.320 0.073 0.000 0.300 511 A C -0.307 177.139 177.584 -0.229 0.000 1.235 511 A CA -0.461 51.342 52.037 -0.389 0.000 0.867 511 A CB -0.161 18.606 19.000 -0.388 0.000 1.137 511 A HN 0.670 nan 8.150 nan 0.000 0.527 512 I N 2.649 123.071 120.570 -0.246 0.000 2.321 512 I HA 0.261 4.475 4.170 0.073 0.000 0.291 512 I C -0.016 175.971 176.117 -0.218 0.000 0.998 512 I CA 0.018 61.221 61.300 -0.161 0.000 1.227 512 I CB 0.896 38.828 38.000 -0.114 0.000 1.368 512 I HN 0.695 nan 8.210 nan 0.000 0.466 513 Q N 5.065 124.750 119.800 -0.192 0.000 2.331 513 Q HA 0.851 5.235 4.340 0.073 0.000 0.267 513 Q C -0.764 175.013 176.000 -0.372 0.000 1.006 513 Q CA -0.674 54.913 55.803 -0.361 0.000 0.818 513 Q CB 2.955 31.592 28.738 -0.169 0.000 1.276 513 Q HN 0.824 nan 8.270 nan 0.000 0.450 514 A N 1.287 123.697 122.820 -0.684 0.000 2.586 514 A HA 0.772 5.136 4.320 0.073 0.000 0.290 514 A C -1.312 176.119 177.584 -0.255 0.000 1.086 514 A CA -0.483 51.397 52.037 -0.261 0.000 0.665 514 A CB 0.611 19.549 19.000 -0.103 0.000 1.279 514 A HN 0.763 nan 8.150 nan 0.000 0.423 515 A N 0.586 123.449 122.820 0.071 0.000 2.603 515 A HA 0.385 4.748 4.320 0.073 0.000 0.235 515 A C 1.311 178.884 177.584 -0.020 0.000 1.035 515 A CA 0.824 52.910 52.037 0.082 0.000 0.755 515 A CB -0.361 18.690 19.000 0.085 0.000 0.954 515 A HN 1.538 nan 8.150 nan 0.000 0.511 516 S N 2.190 117.883 115.700 -0.011 0.000 2.400 516 S HA -0.133 4.380 4.470 0.073 0.000 0.232 516 S C 2.286 176.871 174.600 -0.025 0.000 1.025 516 S CA 1.414 59.592 58.200 -0.037 0.000 0.993 516 S CB -0.388 62.803 63.200 -0.015 0.000 0.808 516 S HN 1.070 nan 8.310 nan 0.000 0.478 517 A N 1.770 124.586 122.820 -0.006 0.000 1.883 517 A HA 0.017 4.380 4.320 0.073 0.000 0.217 517 A C 2.397 179.974 177.584 -0.011 0.000 1.186 517 A CA 1.810 53.844 52.037 -0.004 0.000 0.624 517 A CB -1.196 17.807 19.000 0.005 0.000 0.822 517 A HN 0.538 nan 8.150 nan 0.000 0.444 518 A N -0.332 122.480 122.820 -0.013 0.000 1.933 518 A HA -0.051 4.313 4.320 0.073 0.000 0.218 518 A C 2.012 179.575 177.584 -0.034 0.000 1.175 518 A CA 1.609 53.635 52.037 -0.018 0.000 0.628 518 A CB -0.464 18.528 19.000 -0.015 0.000 0.814 518 A HN 0.424 nan 8.150 nan 0.000 0.444 519 I N -0.031 120.507 120.570 -0.054 0.000 2.163 519 I HA -0.167 4.047 4.170 0.073 0.000 0.240 519 I C 2.775 178.868 176.117 -0.041 0.000 1.081 519 I CA 1.463 62.724 61.300 -0.066 0.000 1.353 519 I CB -2.059 35.881 38.000 -0.100 0.000 1.054 519 I HN 0.341 nan 8.210 nan 0.000 0.407 520 G N 0.989 109.771 108.800 -0.031 0.000 2.556 520 G HA2 -0.305 3.698 3.960 0.073 0.000 0.220 520 G HA3 -0.305 3.698 3.960 0.073 0.000 0.220 520 G C 1.290 176.181 174.900 -0.014 0.000 1.156 520 G CA 1.687 46.775 45.100 -0.020 0.000 0.766 520 G HN 0.513 nan 8.290 nan 0.000 0.583 521 T N -0.949 113.599 114.554 -0.011 0.000 3.332 521 T HA 0.569 4.963 4.350 0.073 0.000 0.246 521 T C 0.484 175.183 174.700 -0.002 0.000 0.943 521 T CA -0.188 61.909 62.100 -0.005 0.000 0.922 521 T CB -0.463 68.404 68.868 -0.001 0.000 1.086 521 T HN 0.399 nan 8.240 nan 0.000 0.590 522 L N 0.000 121.219 121.223 -0.007 0.000 2.949 522 L HA 0.000 4.384 4.340 0.073 0.000 0.249 522 L CA 0.000 54.837 54.840 -0.004 0.000 0.813 522 L CB 0.000 42.065 42.059 0.010 0.000 0.961 522 L HN 0.000 nan 8.230 nan 0.000 0.502