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 1p3d_1_B DATA FIRST_RESID 14 DATA SEQUENCE EXRRVQQIHF IGIGGAGXSG IAEILLNEGY QISGSDIADG VVTQRLAQAG DATA SEQUENCE AKIYIGHAEE HIEGASVVVV SSAIKDDNPE LVTSKQKRIP VIQRAQXLAE DATA SEQUENCE IXRFRHGIAV AGTHGKTTTT AXISXIYTQA KLDPTFVNGG LVKSAGKNAH DATA SEQUENCE LGASRYLIAE ADESDASFLH LQPXVSVVTN XEPDHXDTYE GDFEKXKATY DATA SEQUENCE VKFLHNLPFY GLAVXCADDP VLXELVPKVG RQVITYGFSE QADYRIEDYE DATA SEQUENCE QTGFQGHYTV ICPNNERINV LLNVPGKHNA LNATAALAVA KEEGIANEAI DATA SEQUENCE LEALADFQGA GRRFDQLGEF IRPNGKVRLV DDYGHHPTEV GVTIKAAREG DATA SEQUENCE WGDKRIVXIF QPHRYSRTRD LFDDFVQVLS QVDALIXLDV YAAGEAPIVG DATA SEQUENCE ADSKSLCRSI RNLGKVDPIL VSDTSQLGDV LDQIIQDGDL ILAQGAGSVS DATA SEQUENCE KISRGLAESW 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 14 E HA 0.000 nan 4.350 nan 0.000 0.291 14 E C 0.000 176.711 176.600 0.185 0.000 1.382 14 E CA 0.000 56.484 56.400 0.139 0.000 0.976 14 E CB 0.000 29.725 29.700 0.041 0.000 0.812 17 R N 0.267 120.807 120.500 0.068 0.000 3.989 17 R HA -0.153 4.187 4.340 -0.000 0.000 0.377 17 R C -0.531 175.813 176.300 0.072 0.000 1.158 17 R CA 1.187 57.322 56.100 0.058 0.000 1.035 17 R CB -1.780 28.543 30.300 0.039 0.000 1.557 17 R HN 0.218 nan 8.270 nan 0.000 0.551 18 V N 1.751 121.732 119.914 0.111 0.000 2.372 18 V HA 0.031 4.151 4.120 -0.000 0.000 0.261 18 V C 1.480 177.705 176.094 0.220 0.000 1.055 18 V CA 0.433 62.807 62.300 0.123 0.000 0.930 18 V CB 1.354 33.218 31.823 0.069 0.000 1.031 18 V HN 0.254 nan 8.190 nan 0.000 0.479 19 Q N 3.808 123.700 119.800 0.153 0.000 2.287 19 Q HA 0.148 4.488 4.340 -0.000 0.000 0.201 19 Q C 0.862 176.976 176.000 0.190 0.000 0.946 19 Q CA 0.535 56.433 55.803 0.159 0.000 0.868 19 Q CB 0.559 29.353 28.738 0.092 0.000 0.967 19 Q HN 0.772 nan 8.270 nan 0.000 0.516 20 Q N 0.538 120.418 119.800 0.133 0.000 2.323 20 Q HA 0.466 4.806 4.340 -0.000 0.000 0.271 20 Q C -1.720 174.329 176.000 0.082 0.000 1.048 20 Q CA -0.488 55.393 55.803 0.131 0.000 0.792 20 Q CB 1.708 30.517 28.738 0.117 0.000 1.280 20 Q HN 0.252 nan 8.270 nan 0.000 0.441 21 I N 3.004 123.625 120.570 0.085 0.000 2.362 21 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 21 I C -0.650 175.493 176.117 0.043 0.000 0.994 21 I CA -0.634 60.644 61.300 -0.037 0.000 1.158 21 I CB 1.437 39.354 38.000 -0.138 0.000 1.315 21 I HN 0.600 nan 8.210 nan 0.000 0.451 22 H N 6.199 125.192 119.070 -0.129 0.000 2.467 22 H HA 0.551 5.106 4.556 -0.000 0.000 0.326 22 H C -1.549 173.677 175.328 -0.169 0.000 1.094 22 H CA -0.437 55.607 56.048 -0.006 0.000 1.253 22 H CB 0.825 30.606 29.762 0.033 0.000 1.439 22 H HN 0.344 nan 8.280 nan 0.000 0.479 23 F N 5.660 125.314 119.950 -0.493 0.000 2.402 23 F HA 0.330 4.857 4.527 -0.000 0.000 0.355 23 F C -0.215 175.371 175.800 -0.356 0.000 1.123 23 F CA -0.779 57.042 58.000 -0.298 0.000 1.021 23 F CB 1.015 39.917 39.000 -0.163 0.000 1.160 23 F HN 0.404 nan 8.300 nan 0.000 0.451 24 I N 3.574 124.136 120.570 -0.012 0.000 2.291 24 I HA 0.421 4.591 4.170 -0.000 0.000 0.292 24 I C 0.743 176.940 176.117 0.134 0.000 1.064 24 I CA -0.240 61.113 61.300 0.089 0.000 1.269 24 I CB 0.450 38.488 38.000 0.063 0.000 1.418 24 I HN 0.907 nan 8.210 nan 0.000 0.485 25 G N 5.038 113.954 108.800 0.193 0.000 2.215 25 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.198 25 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.198 25 G C 0.497 175.461 174.900 0.107 0.000 1.047 25 G CA -0.127 45.068 45.100 0.158 0.000 0.747 25 G HN 0.721 nan 8.290 nan 0.000 0.495 26 I N 0.187 120.807 120.570 0.083 0.000 2.567 26 I HA 0.060 4.230 4.170 -0.000 0.000 0.257 26 I C 2.293 178.374 176.117 -0.060 0.000 1.184 26 I CA 1.798 63.088 61.300 -0.017 0.000 1.451 26 I CB -0.001 37.962 38.000 -0.062 0.000 1.089 26 I HN 0.301 nan 8.210 nan 0.000 0.441 27 G N 0.407 109.201 108.800 -0.009 0.000 2.848 27 G HA2 0.030 3.990 3.960 -0.000 0.000 0.208 27 G HA3 0.030 3.990 3.960 -0.000 0.000 0.208 27 G C 0.886 175.787 174.900 0.001 0.000 1.152 27 G CA 0.293 45.385 45.100 -0.013 0.000 0.789 27 G HN 0.504 nan 8.290 nan 0.000 0.531 28 G N -0.677 108.132 108.800 0.016 0.000 2.554 28 G HA2 0.397 4.357 3.960 -0.000 0.000 0.238 28 G HA3 0.397 4.357 3.960 -0.000 0.000 0.238 28 G C 1.259 176.165 174.900 0.009 0.000 1.259 28 G CA 0.272 45.390 45.100 0.030 0.000 0.843 28 G HN 0.332 nan 8.290 nan 0.000 0.582 29 A N 1.675 124.505 122.820 0.018 0.000 1.940 29 A HA 0.196 4.516 4.320 -0.000 0.000 0.219 29 A C 1.784 179.369 177.584 0.003 0.000 1.176 29 A CA 1.800 53.838 52.037 0.001 0.000 0.631 29 A CB -0.785 18.211 19.000 -0.007 0.000 0.814 29 A HN 1.137 nan 8.150 nan 0.000 0.446 33 G N 2.453 111.193 108.800 -0.101 0.000 2.408 33 G HA2 0.095 4.055 3.960 -0.000 0.000 0.217 33 G HA3 0.095 4.055 3.960 -0.000 0.000 0.217 33 G C 1.263 176.114 174.900 -0.082 0.000 1.150 33 G CA 1.123 46.181 45.100 -0.069 0.000 0.776 33 G HN 0.535 nan 8.290 nan 0.000 0.542 34 I N 1.388 121.917 120.570 -0.069 0.000 2.179 34 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 34 I C 3.301 179.362 176.117 -0.094 0.000 1.088 34 I CA 0.970 62.263 61.300 -0.011 0.000 1.357 34 I CB -0.221 37.853 38.000 0.123 0.000 1.051 34 I HN 0.238 nan 8.210 nan 0.000 0.409 35 A N 0.100 122.647 122.820 -0.455 0.000 1.908 35 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 35 A C 2.318 179.757 177.584 -0.241 0.000 1.181 35 A CA 1.951 53.591 52.037 -0.662 0.000 0.627 35 A CB -0.634 17.718 19.000 -1.081 0.000 0.818 35 A HN 0.469 nan 8.150 nan 0.000 0.445 36 E N -0.556 119.529 120.200 -0.191 0.000 2.072 36 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 36 E C 1.892 178.450 176.600 -0.070 0.000 0.985 36 E CA 0.940 57.272 56.400 -0.112 0.000 0.801 36 E CB -0.112 29.525 29.700 -0.105 0.000 0.750 36 E HN 0.511 nan 8.360 nan 0.000 0.452 37 I N 1.217 121.748 120.570 -0.064 0.000 2.118 37 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 37 I C 2.444 178.585 176.117 0.041 0.000 1.070 37 I CA 1.371 62.650 61.300 -0.034 0.000 1.327 37 I CB -1.162 36.826 38.000 -0.019 0.000 1.034 37 I HN 0.242 nan 8.210 nan 0.000 0.405 38 L N -0.446 120.829 121.223 0.087 0.000 2.093 38 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 38 L C 2.565 179.586 176.870 0.250 0.000 1.085 38 L CA 0.579 55.550 54.840 0.217 0.000 0.755 38 L CB -0.593 41.556 42.059 0.150 0.000 0.904 38 L HN 0.211 nan 8.230 nan 0.000 0.435 39 L N 0.393 121.687 121.223 0.118 0.000 2.012 39 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 39 L C 1.933 178.832 176.870 0.048 0.000 1.073 39 L CA 1.986 56.874 54.840 0.080 0.000 0.748 39 L CB -0.624 41.443 42.059 0.013 0.000 0.891 39 L HN 0.224 nan 8.230 nan 0.000 0.431 40 N N -0.786 117.924 118.700 0.017 0.000 2.396 40 N HA -0.119 4.621 4.740 -0.000 0.000 0.180 40 N C 1.335 176.840 175.510 -0.009 0.000 1.028 40 N CA 0.839 53.879 53.050 -0.016 0.000 0.893 40 N CB 0.018 38.469 38.487 -0.059 0.000 0.967 40 N HN 0.477 nan 8.380 nan 0.000 0.440 41 E N -0.817 119.407 120.200 0.040 0.000 2.481 41 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 41 E C 0.827 177.362 176.600 -0.109 0.000 1.047 41 E CA 0.281 56.691 56.400 0.016 0.000 0.867 41 E CB 0.276 30.063 29.700 0.145 0.000 0.858 41 E HN 0.429 nan 8.360 nan 0.000 0.513 42 G N 0.539 109.296 108.800 -0.073 0.000 2.179 42 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 42 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 42 G C -0.189 174.616 174.900 -0.158 0.000 0.990 42 G CA -0.398 44.621 45.100 -0.134 0.000 0.646 42 G HN 0.168 nan 8.290 nan 0.000 0.517 43 Y N 1.232 121.550 120.300 0.029 0.000 2.379 43 Y HA 0.494 5.044 4.550 -0.000 0.000 0.337 43 Y C 1.096 177.026 175.900 0.049 0.000 1.238 43 Y CA -0.221 57.905 58.100 0.044 0.000 1.405 43 Y CB 0.528 39.026 38.460 0.063 0.000 1.310 43 Y HN 0.061 nan 8.280 nan 0.000 0.569 44 Q N 2.769 122.705 119.800 0.227 0.000 2.304 44 Q HA 0.261 4.601 4.340 -0.000 0.000 0.260 44 Q C -0.735 175.381 176.000 0.193 0.000 0.965 44 Q CA 0.061 55.961 55.803 0.161 0.000 0.898 44 Q CB 0.929 29.743 28.738 0.127 0.000 1.196 44 Q HN 0.409 nan 8.270 nan 0.000 0.402 45 I N 1.502 122.171 120.570 0.165 0.000 2.465 45 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 45 I C -0.067 176.159 176.117 0.181 0.000 1.014 45 I CA -0.434 60.988 61.300 0.203 0.000 1.093 45 I CB 1.719 39.809 38.000 0.150 0.000 1.267 45 I HN 0.373 nan 8.210 nan 0.000 0.431 46 S N 3.005 118.866 115.700 0.268 0.000 2.599 46 S HA 0.978 5.448 4.470 -0.000 0.000 0.287 46 S C -0.142 174.608 174.600 0.250 0.000 1.105 46 S CA -0.762 57.618 58.200 0.300 0.000 0.899 46 S CB 2.833 66.325 63.200 0.487 0.000 1.100 46 S HN 0.983 nan 8.310 nan 0.000 0.482 47 G N 0.686 109.601 108.800 0.190 0.000 2.616 47 G HA2 0.546 4.506 3.960 -0.000 0.000 0.294 47 G HA3 0.546 4.506 3.960 -0.000 0.000 0.294 47 G C -1.314 173.693 174.900 0.178 0.000 1.489 47 G CA -0.510 44.582 45.100 -0.013 0.000 0.836 47 G HN 0.931 nan 8.290 nan 0.000 0.527 48 S N 0.021 115.820 115.700 0.164 0.000 2.566 48 S HA 0.880 5.350 4.470 -0.000 0.000 0.298 48 S C -1.438 173.261 174.600 0.165 0.000 1.083 48 S CA -0.750 57.601 58.200 0.251 0.000 0.978 48 S CB 3.067 66.549 63.200 0.470 0.000 1.073 48 S HN 0.762 nan 8.310 nan 0.000 0.491 49 D N 0.230 120.655 120.400 0.042 0.000 2.717 49 D HA 0.230 4.870 4.640 -0.000 0.000 0.223 49 D C 0.852 177.082 176.300 -0.116 0.000 1.240 49 D CA -0.548 53.457 54.000 0.009 0.000 0.801 49 D CB 1.814 42.633 40.800 0.031 0.000 1.556 49 D HN 0.675 nan 8.370 nan 0.000 0.462 50 I N -0.377 120.127 120.570 -0.109 0.000 3.001 50 I HA 0.241 4.411 4.170 -0.000 0.000 0.268 50 I C 0.731 176.832 176.117 -0.028 0.000 1.267 50 I CA 0.345 61.588 61.300 -0.096 0.000 1.472 50 I CB -0.007 37.980 38.000 -0.021 0.000 1.089 50 I HN 0.164 nan 8.210 nan 0.000 0.468 51 A N 1.379 124.197 122.820 -0.004 0.000 2.325 51 A HA 0.539 4.859 4.320 -0.000 0.000 0.333 51 A C -1.163 176.418 177.584 -0.004 0.000 1.155 51 A CA -0.411 51.631 52.037 0.007 0.000 0.814 51 A CB 0.961 19.978 19.000 0.029 0.000 1.206 51 A HN 0.366 nan 8.150 nan 0.000 0.482 52 D N 0.997 121.394 120.400 -0.006 0.000 2.454 52 D HA 0.564 5.204 4.640 -0.000 0.000 0.247 52 D C 0.155 176.448 176.300 -0.012 0.000 1.129 52 D CA 0.391 54.383 54.000 -0.013 0.000 0.877 52 D CB 0.771 41.562 40.800 -0.015 0.000 1.082 52 D HN 0.732 nan 8.370 nan 0.000 0.537 53 G N 0.863 109.655 108.800 -0.015 0.000 2.975 53 G HA2 0.276 4.236 3.960 -0.000 0.000 0.291 53 G HA3 0.276 4.236 3.960 -0.000 0.000 0.291 53 G C 0.747 175.635 174.900 -0.020 0.000 1.334 53 G CA -0.451 44.640 45.100 -0.014 0.000 0.843 53 G HN 0.229 nan 8.290 nan 0.000 0.548 54 V N -0.044 119.859 119.914 -0.018 0.000 2.324 54 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 54 V C 2.977 179.056 176.094 -0.025 0.000 1.060 54 V CA 2.031 64.319 62.300 -0.020 0.000 1.042 54 V CB -0.710 31.103 31.823 -0.016 0.000 0.650 54 V HN 0.430 nan 8.190 nan 0.000 0.450 55 V N 0.852 120.751 119.914 -0.025 0.000 2.237 55 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 55 V C 2.805 178.871 176.094 -0.047 0.000 1.046 55 V CA 2.681 64.961 62.300 -0.034 0.000 1.007 55 V CB -1.341 30.463 31.823 -0.032 0.000 0.638 55 V HN 0.821 nan 8.190 nan 0.000 0.445 56 T N -1.775 112.753 114.554 -0.044 0.000 2.788 56 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 56 T C 1.804 176.470 174.700 -0.057 0.000 1.044 56 T CA 1.692 63.760 62.100 -0.055 0.000 1.139 56 T CB -0.404 68.438 68.868 -0.045 0.000 0.867 56 T HN 0.508 nan 8.240 nan 0.000 0.454 57 Q N 0.642 120.415 119.800 -0.046 0.000 2.084 57 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 57 Q C 2.717 178.690 176.000 -0.044 0.000 0.978 57 Q CA 1.311 57.088 55.803 -0.044 0.000 0.844 57 Q CB -0.165 28.553 28.738 -0.033 0.000 0.898 57 Q HN 0.518 nan 8.270 nan 0.000 0.426 58 R N 0.082 120.557 120.500 -0.040 0.000 2.096 58 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 58 R C 2.190 178.462 176.300 -0.047 0.000 1.127 58 R CA 0.999 57.076 56.100 -0.038 0.000 0.968 58 R CB -0.173 30.107 30.300 -0.033 0.000 0.861 58 R HN 0.232 nan 8.270 nan 0.000 0.440 59 L N -0.331 120.855 121.223 -0.061 0.000 2.056 59 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 59 L C 2.583 179.413 176.870 -0.067 0.000 1.078 59 L CA 1.149 55.946 54.840 -0.073 0.000 0.749 59 L CB -0.463 41.536 42.059 -0.100 0.000 0.901 59 L HN 0.251 nan 8.230 nan 0.000 0.433 60 A N -0.463 122.314 122.820 -0.071 0.000 1.902 60 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 60 A C 2.184 179.734 177.584 -0.057 0.000 1.181 60 A CA 1.632 53.624 52.037 -0.075 0.000 0.623 60 A CB -0.500 18.449 19.000 -0.086 0.000 0.818 60 A HN 0.463 nan 8.150 nan 0.000 0.443 61 Q N -0.853 118.919 119.800 -0.047 0.000 2.226 61 Q HA -0.019 4.321 4.340 -0.000 0.000 0.204 61 Q C 2.029 178.010 176.000 -0.031 0.000 0.975 61 Q CA 1.227 57.008 55.803 -0.036 0.000 0.866 61 Q CB -0.301 28.419 28.738 -0.030 0.000 0.915 61 Q HN 0.684 nan 8.270 nan 0.000 0.440 62 A N -0.608 122.191 122.820 -0.034 0.000 2.251 62 A HA 0.337 4.657 4.320 -0.000 0.000 0.209 62 A C 1.405 178.974 177.584 -0.025 0.000 1.187 62 A CA 0.803 52.823 52.037 -0.028 0.000 0.823 62 A CB 0.034 19.015 19.000 -0.032 0.000 0.846 62 A HN 0.434 nan 8.150 nan 0.000 0.486 63 G N -2.331 106.451 108.800 -0.029 0.000 2.192 63 G HA2 0.178 4.138 3.960 -0.000 0.000 0.193 63 G HA3 0.178 4.138 3.960 -0.000 0.000 0.193 63 G C 0.362 175.251 174.900 -0.020 0.000 0.999 63 G CA 0.010 45.097 45.100 -0.022 0.000 0.659 63 G HN 1.438 nan 8.290 nan 0.000 0.503 64 A N 0.085 122.886 122.820 -0.031 0.000 2.425 64 A HA 0.671 4.991 4.320 -0.000 0.000 0.249 64 A C 0.456 178.000 177.584 -0.066 0.000 1.084 64 A CA 0.589 52.609 52.037 -0.029 0.000 0.781 64 A CB 0.540 19.511 19.000 -0.047 0.000 1.019 64 A HN 0.685 nan 8.150 nan 0.000 0.490 65 K N 2.871 123.236 120.400 -0.059 0.000 2.273 65 K HA 0.359 4.679 4.320 -0.000 0.000 0.287 65 K C -0.812 175.607 176.600 -0.302 0.000 1.089 65 K CA 0.075 56.254 56.287 -0.180 0.000 0.909 65 K CB -0.037 32.398 32.500 -0.109 0.000 1.123 65 K HN 0.477 nan 8.250 nan 0.000 0.473 66 I N 5.834 126.168 120.570 -0.394 0.000 2.404 66 I HA 0.267 4.437 4.170 -0.000 0.000 0.293 66 I C -0.575 175.232 176.117 -0.516 0.000 0.992 66 I CA -0.826 60.279 61.300 -0.324 0.000 1.149 66 I CB 0.945 38.845 38.000 -0.168 0.000 1.315 66 I HN 0.550 nan 8.210 nan 0.000 0.446 67 Y N 5.344 125.554 120.300 -0.150 0.000 2.468 67 Y HA 0.585 5.135 4.550 -0.000 0.000 0.342 67 Y C 0.222 176.023 175.900 -0.165 0.000 1.021 67 Y CA -0.829 57.102 58.100 -0.281 0.000 1.079 67 Y CB 1.781 39.758 38.460 -0.806 0.000 1.226 67 Y HN 0.309 nan 8.280 nan 0.000 0.460 68 I N 2.348 122.941 120.570 0.038 0.000 2.359 68 I HA 0.688 4.858 4.170 -0.000 0.000 0.294 68 I C 0.620 176.762 176.117 0.042 0.000 0.987 68 I CA -0.331 60.977 61.300 0.014 0.000 1.225 68 I CB 1.022 39.025 38.000 0.003 0.000 1.366 68 I HN 0.845 nan 8.210 nan 0.000 0.466 69 G N 4.400 113.150 108.800 -0.082 0.000 2.796 69 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.571 69 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.571 69 G C -0.977 173.830 174.900 -0.155 0.000 1.370 69 G CA -0.832 44.185 45.100 -0.139 0.000 0.856 69 G HN 0.711 nan 8.290 nan 0.000 0.538 70 H N -0.188 118.963 119.070 0.135 0.000 2.538 70 H HA 0.807 5.363 4.556 -0.000 0.000 0.353 70 H C 0.455 175.673 175.328 -0.183 0.000 1.109 70 H CA 0.316 56.400 56.048 0.059 0.000 1.192 70 H CB 1.580 31.368 29.762 0.044 0.000 1.555 70 H HN 1.601 nan 8.280 nan 0.000 0.518 71 A N 2.129 124.718 122.820 -0.384 0.000 2.594 71 A HA 0.309 4.628 4.320 -0.000 0.000 0.296 71 A C 0.547 177.848 177.584 -0.472 0.000 1.061 71 A CA -0.690 51.041 52.037 -0.511 0.000 0.689 71 A CB 1.094 19.676 19.000 -0.697 0.000 1.280 71 A HN 0.640 nan 8.150 nan 0.000 0.406 72 E N 0.668 120.707 120.200 -0.269 0.000 2.147 72 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 72 E C 1.089 177.559 176.600 -0.215 0.000 1.005 72 E CA 2.295 58.579 56.400 -0.193 0.000 0.810 72 E CB -0.033 29.588 29.700 -0.130 0.000 0.736 72 E HN 0.783 nan 8.360 nan 0.000 0.460 73 E N -0.468 119.582 120.200 -0.249 0.000 2.268 73 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 73 E C 1.557 178.044 176.600 -0.188 0.000 0.995 73 E CA 0.776 57.074 56.400 -0.170 0.000 0.836 73 E CB -0.059 29.578 29.700 -0.106 0.000 0.763 73 E HN 0.364 nan 8.360 nan 0.000 0.491 74 H N -0.238 118.553 119.070 -0.465 0.000 2.489 74 H HA -0.059 4.497 4.556 -0.000 0.000 0.293 74 H C 1.902 176.895 175.328 -0.558 0.000 1.066 74 H CA 1.096 56.656 56.048 -0.815 0.000 1.305 74 H CB -0.441 28.936 29.762 -0.642 0.000 1.386 74 H HN 0.388 nan 8.280 nan 0.000 0.551 75 I N -1.306 119.015 120.570 -0.415 0.000 3.684 75 I HA 0.109 4.279 4.170 -0.000 0.000 0.304 75 I C 0.601 176.573 176.117 -0.241 0.000 1.278 75 I CA 0.028 60.975 61.300 -0.589 0.000 1.272 75 I CB -0.099 37.642 38.000 -0.431 0.000 1.029 75 I HN -0.138 nan 8.210 nan 0.000 0.458 76 E N 2.127 122.255 120.200 -0.121 0.000 2.558 76 E HA 0.179 4.529 4.350 -0.000 0.000 0.255 76 E C 1.367 177.975 176.600 0.013 0.000 0.968 76 E CA 1.226 57.607 56.400 -0.032 0.000 0.939 76 E CB 0.067 29.772 29.700 0.008 0.000 0.921 76 E HN 0.617 nan 8.360 nan 0.000 0.477 77 G N 2.606 111.412 108.800 0.010 0.000 2.217 77 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.246 77 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.246 77 G C 0.324 175.246 174.900 0.037 0.000 0.990 77 G CA -0.060 45.061 45.100 0.034 0.000 0.627 77 G HN 0.887 nan 8.290 nan 0.000 0.522 78 A N 0.543 123.374 122.820 0.019 0.000 2.546 78 A HA 0.633 4.953 4.320 -0.000 0.000 0.243 78 A C 1.463 179.055 177.584 0.014 0.000 1.063 78 A CA 1.413 53.468 52.037 0.031 0.000 0.757 78 A CB 0.375 19.382 19.000 0.012 0.000 0.991 78 A HN 0.953 nan 8.150 nan 0.000 0.503 79 S N 0.637 116.348 115.700 0.019 0.000 2.470 79 S HA 0.230 4.699 4.470 -0.000 0.000 0.222 79 S C 0.533 175.121 174.600 -0.020 0.000 1.024 79 S CA 0.774 58.978 58.200 0.006 0.000 0.931 79 S CB 0.132 63.346 63.200 0.023 0.000 0.791 79 S HN 1.039 nan 8.310 nan 0.000 0.513 80 V N 1.054 120.944 119.914 -0.040 0.000 3.048 80 V HA 0.551 4.671 4.120 -0.000 0.000 0.303 80 V C -1.965 174.072 176.094 -0.095 0.000 1.214 80 V CA -0.654 61.600 62.300 -0.077 0.000 0.984 80 V CB 2.267 34.023 31.823 -0.112 0.000 1.054 80 V HN -0.052 nan 8.190 nan 0.000 0.430 81 V N 5.953 125.809 119.914 -0.097 0.000 2.448 81 V HA 0.591 4.711 4.120 -0.000 0.000 0.295 81 V C -0.375 175.610 176.094 -0.181 0.000 1.025 81 V CA -0.515 61.732 62.300 -0.087 0.000 0.859 81 V CB 1.878 33.704 31.823 0.006 0.000 0.988 81 V HN 0.693 nan 8.190 nan 0.000 0.431 82 V N 5.520 125.238 119.914 -0.328 0.000 2.435 82 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 82 V C -0.237 175.762 176.094 -0.159 0.000 1.030 82 V CA -0.625 61.476 62.300 -0.333 0.000 0.881 82 V CB 1.907 33.336 31.823 -0.658 0.000 0.983 82 V HN 0.577 nan 8.190 nan 0.000 0.445 83 V N 4.443 124.312 119.914 -0.075 0.000 2.487 83 V HA 0.545 4.665 4.120 -0.000 0.000 0.298 83 V C 0.299 176.399 176.094 0.011 0.000 1.028 83 V CA -0.137 62.152 62.300 -0.018 0.000 0.860 83 V CB 2.325 34.132 31.823 -0.027 0.000 0.991 83 V HN 0.990 nan 8.190 nan 0.000 0.427 84 S N 4.047 119.771 115.700 0.039 0.000 2.576 84 S HA 0.154 4.624 4.470 -0.000 0.000 0.276 84 S C 1.312 175.924 174.600 0.020 0.000 1.339 84 S CA 0.354 58.580 58.200 0.042 0.000 1.039 84 S CB 1.376 64.614 63.200 0.064 0.000 0.902 84 S HN 0.894 nan 8.310 nan 0.000 0.516 85 S N 3.380 119.087 115.700 0.012 0.000 2.555 85 S HA 0.022 4.492 4.470 -0.000 0.000 0.230 85 S C 1.830 176.436 174.600 0.010 0.000 0.978 85 S CA 0.654 58.854 58.200 -0.000 0.000 0.934 85 S CB -0.366 62.822 63.200 -0.020 0.000 0.766 85 S HN 0.798 nan 8.310 nan 0.000 0.533 86 A N 1.058 123.895 122.820 0.029 0.000 2.119 86 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 86 A C 0.725 178.327 177.584 0.029 0.000 1.153 86 A CA 0.405 52.468 52.037 0.042 0.000 0.692 86 A CB -0.215 18.826 19.000 0.069 0.000 0.799 86 A HN 0.331 nan 8.150 nan 0.000 0.458 87 I N 0.973 121.550 120.570 0.011 0.000 2.529 87 I HA 0.140 4.310 4.170 -0.000 0.000 0.284 87 I C 0.342 176.440 176.117 -0.031 0.000 1.082 87 I CA -0.157 61.129 61.300 -0.023 0.000 1.406 87 I CB 0.457 38.428 38.000 -0.049 0.000 1.405 87 I HN 0.194 nan 8.210 nan 0.000 0.548 88 K N 4.306 124.680 120.400 -0.042 0.000 2.154 88 K HA 0.105 4.425 4.320 -0.000 0.000 0.264 88 K C 0.510 177.083 176.600 -0.046 0.000 1.008 88 K CA -0.587 55.680 56.287 -0.034 0.000 0.937 88 K CB 0.885 33.370 32.500 -0.026 0.000 1.002 88 K HN 0.371 nan 8.250 nan 0.000 0.469 89 D N 1.460 121.840 120.400 -0.034 0.000 2.221 89 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 89 D C 0.980 177.257 176.300 -0.039 0.000 0.982 89 D CA 1.370 55.349 54.000 -0.034 0.000 0.857 89 D CB 0.011 40.795 40.800 -0.026 0.000 0.934 89 D HN 0.594 nan 8.370 nan 0.000 0.475 90 D N -0.686 119.690 120.400 -0.039 0.000 2.340 90 D HA -0.091 4.549 4.640 -0.000 0.000 0.217 90 D C 0.352 176.621 176.300 -0.052 0.000 1.081 90 D CA -0.352 53.625 54.000 -0.039 0.000 0.842 90 D CB -0.745 40.038 40.800 -0.029 0.000 0.934 90 D HN -0.048 nan 8.370 nan 0.000 0.511 91 N N 2.404 121.058 118.700 -0.076 0.000 2.359 91 N HA -0.059 4.681 4.740 -0.000 0.000 0.261 91 N C -1.296 174.157 175.510 -0.095 0.000 1.267 91 N CA -0.692 52.285 53.050 -0.123 0.000 0.864 91 N CB 1.489 39.850 38.487 -0.210 0.000 1.063 91 N HN -0.023 nan 8.380 nan 0.000 0.474 92 P HA -0.129 nan 4.420 nan 0.000 0.218 92 P C 0.518 177.773 177.300 -0.075 0.000 1.148 92 P CA 1.439 64.498 63.100 -0.067 0.000 0.822 92 P CB 0.352 32.015 31.700 -0.063 0.000 0.784 93 E N -0.746 119.412 120.200 -0.071 0.000 2.107 93 E HA -0.110 4.239 4.350 -0.000 0.000 0.191 93 E C 2.021 178.596 176.600 -0.041 0.000 0.982 93 E CA 0.403 56.775 56.400 -0.046 0.000 0.809 93 E CB -0.553 29.181 29.700 0.057 0.000 0.756 93 E HN 0.077 nan 8.360 nan 0.000 0.459 94 L N 0.636 121.828 121.223 -0.053 0.000 2.027 94 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 94 L C 2.177 179.020 176.870 -0.045 0.000 1.074 94 L CA 1.378 56.191 54.840 -0.045 0.000 0.745 94 L CB -0.374 41.650 42.059 -0.058 0.000 0.898 94 L HN -0.038 nan 8.230 nan 0.000 0.433 95 V N -1.143 118.741 119.914 -0.050 0.000 2.261 95 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 95 V C 2.606 178.674 176.094 -0.045 0.000 1.047 95 V CA 2.273 64.546 62.300 -0.045 0.000 1.015 95 V CB -0.955 30.841 31.823 -0.045 0.000 0.642 95 V HN 0.625 nan 8.190 nan 0.000 0.446 96 T N -1.134 113.387 114.554 -0.054 0.000 2.867 96 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 96 T C 2.074 176.742 174.700 -0.053 0.000 1.057 96 T CA 1.855 63.921 62.100 -0.057 0.000 1.136 96 T CB -0.182 68.642 68.868 -0.073 0.000 0.874 96 T HN 0.524 nan 8.240 nan 0.000 0.466 97 S N 0.802 116.471 115.700 -0.052 0.000 2.355 97 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 97 S C 2.025 176.603 174.600 -0.036 0.000 1.031 97 S CA 1.100 59.273 58.200 -0.046 0.000 0.993 97 S CB -0.189 62.989 63.200 -0.037 0.000 0.859 97 S HN 0.572 nan 8.310 nan 0.000 0.453 98 K N 0.966 121.346 120.400 -0.033 0.000 2.097 98 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 98 K C 2.420 179.004 176.600 -0.026 0.000 1.049 98 K CA 0.867 57.137 56.287 -0.028 0.000 0.933 98 K CB -0.115 32.369 32.500 -0.027 0.000 0.717 98 K HN 0.257 nan 8.250 nan 0.000 0.442 99 Q N 1.345 121.128 119.800 -0.030 0.000 2.119 99 Q HA -0.122 4.218 4.340 -0.000 0.000 0.201 99 Q C 1.255 177.240 176.000 -0.026 0.000 0.972 99 Q CA 1.462 57.248 55.803 -0.027 0.000 0.847 99 Q CB 0.224 28.944 28.738 -0.030 0.000 0.903 99 Q HN 0.204 nan 8.270 nan 0.000 0.433 100 K N -0.070 120.312 120.400 -0.029 0.000 2.487 100 K HA 0.079 4.399 4.320 -0.000 0.000 0.192 100 K C 0.048 176.634 176.600 -0.023 0.000 1.027 100 K CA -0.066 56.204 56.287 -0.027 0.000 1.054 100 K CB 0.286 32.766 32.500 -0.034 0.000 0.824 100 K HN 0.157 nan 8.250 nan 0.000 0.510 101 R N 0.270 120.757 120.500 -0.022 0.000 3.770 101 R HA -0.174 4.166 4.340 -0.000 0.000 0.305 101 R C -0.580 175.708 176.300 -0.019 0.000 1.184 101 R CA 0.510 56.599 56.100 -0.019 0.000 0.823 101 R CB -2.333 27.959 30.300 -0.014 0.000 1.285 101 R HN 0.212 nan 8.270 nan 0.000 0.499 102 I N 2.262 122.817 120.570 -0.024 0.000 2.471 102 I HA 0.122 4.292 4.170 -0.000 0.000 0.286 102 I C -1.642 174.458 176.117 -0.029 0.000 1.079 102 I CA -1.967 59.318 61.300 -0.026 0.000 1.398 102 I CB 0.552 38.534 38.000 -0.031 0.000 1.403 102 I HN -0.242 nan 8.210 nan 0.000 0.530 103 P HA 0.001 nan 4.420 nan 0.000 0.261 103 P C -0.851 176.418 177.300 -0.051 0.000 1.183 103 P CA 0.155 63.232 63.100 -0.038 0.000 0.761 103 P CB 0.359 32.034 31.700 -0.041 0.000 0.785 104 V N 5.712 125.597 119.914 -0.048 0.000 2.444 104 V HA 0.501 4.621 4.120 -0.000 0.000 0.294 104 V C 0.386 176.442 176.094 -0.062 0.000 1.022 104 V CA -0.471 61.796 62.300 -0.055 0.000 0.850 104 V CB 1.181 32.980 31.823 -0.039 0.000 0.992 104 V HN 0.416 nan 8.190 nan 0.000 0.426 105 I N 1.448 121.963 120.570 -0.092 0.000 2.828 105 I HA 0.645 4.815 4.170 -0.000 0.000 0.302 105 I C -0.300 175.748 176.117 -0.115 0.000 1.101 105 I CA -0.977 60.257 61.300 -0.111 0.000 1.031 105 I CB 2.104 40.012 38.000 -0.153 0.000 1.231 105 I HN 0.457 nan 8.210 nan 0.000 0.427 106 Q N 3.017 122.748 119.800 -0.115 0.000 2.392 106 Q HA 0.161 4.501 4.340 -0.000 0.000 0.262 106 Q C 1.011 176.947 176.000 -0.105 0.000 1.003 106 Q CA -0.174 55.582 55.803 -0.079 0.000 0.888 106 Q CB 1.362 30.091 28.738 -0.015 0.000 1.260 106 Q HN 0.634 nan 8.270 nan 0.000 0.435 107 R N 1.742 122.219 120.500 -0.038 0.000 2.159 107 R HA -0.315 4.025 4.340 -0.000 0.000 0.249 107 R C 1.704 177.994 176.300 -0.016 0.000 1.136 107 R CA 2.228 58.330 56.100 0.004 0.000 0.951 107 R CB -0.440 29.887 30.300 0.045 0.000 0.876 107 R HN 0.798 nan 8.270 nan 0.000 0.440 108 A N 0.669 123.482 122.820 -0.011 0.000 2.015 108 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 108 A C 1.417 178.948 177.584 -0.088 0.000 1.163 108 A CA 0.645 52.697 52.037 0.025 0.000 0.646 108 A CB -0.332 18.751 19.000 0.139 0.000 0.806 108 A HN 0.628 nan 8.150 nan 0.000 0.448 112 A N 0.157 122.982 122.820 0.008 0.000 1.933 112 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 112 A C 1.862 179.426 177.584 -0.034 0.000 1.175 112 A CA 1.834 53.876 52.037 0.008 0.000 0.628 112 A CB -0.392 18.628 19.000 0.032 0.000 0.814 112 A HN 0.526 nan 8.150 nan 0.000 0.444 113 E N 0.055 120.226 120.200 -0.047 0.000 2.106 113 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 113 E C 1.036 177.627 176.600 -0.014 0.000 0.984 113 E CA 0.215 56.584 56.400 -0.052 0.000 0.806 113 E CB -0.360 29.306 29.700 -0.056 0.000 0.750 113 E HN 0.685 nan 8.360 nan 0.000 0.458 117 F N 2.548 122.515 119.950 0.028 0.000 2.668 117 F HA 0.512 5.039 4.527 -0.000 0.000 0.297 117 F C 0.395 176.213 175.800 0.029 0.000 1.124 117 F CA -0.048 57.969 58.000 0.027 0.000 1.353 117 F CB 0.478 39.495 39.000 0.028 0.000 0.992 117 F HN -0.169 nan 8.300 nan 0.000 0.524 118 R N -1.339 119.243 120.500 0.135 0.000 2.873 118 R HA 0.305 4.645 4.340 -0.000 0.000 0.264 118 R C -0.785 175.575 176.300 0.101 0.000 1.026 118 R CA -1.115 55.056 56.100 0.118 0.000 1.002 118 R CB 1.156 31.522 30.300 0.111 0.000 1.174 118 R HN 0.027 nan 8.270 nan 0.000 0.488 119 H N -0.112 118.964 119.070 0.010 0.000 2.969 119 H HA 0.238 4.794 4.556 -0.000 0.000 0.269 119 H C -0.221 175.160 175.328 0.088 0.000 1.223 119 H CA 0.017 56.081 56.048 0.025 0.000 1.400 119 H CB 0.341 30.064 29.762 -0.065 0.000 1.500 119 H HN 0.702 nan 8.280 nan 0.000 0.486 120 G N 5.358 114.110 108.800 -0.080 0.000 2.339 120 G HA2 0.400 4.360 3.960 -0.000 0.000 0.287 120 G HA3 0.400 4.360 3.960 -0.000 0.000 0.287 120 G C -0.459 174.417 174.900 -0.039 0.000 1.163 120 G CA -0.632 44.459 45.100 -0.015 0.000 0.872 120 G HN 0.685 nan 8.290 nan 0.000 0.464 121 I N 2.372 122.962 120.570 0.033 0.000 2.390 121 I HA 0.407 4.577 4.170 -0.000 0.000 0.283 121 I C 0.470 176.612 176.117 0.040 0.000 1.016 121 I CA -0.562 60.748 61.300 0.017 0.000 1.151 121 I CB 1.691 39.677 38.000 -0.022 0.000 1.293 121 I HN 0.515 nan 8.210 nan 0.000 0.458 122 A N 6.537 129.402 122.820 0.075 0.000 2.305 122 A HA 0.770 5.090 4.320 -0.000 0.000 0.322 122 A C -0.509 177.189 177.584 0.189 0.000 1.187 122 A CA -0.457 51.679 52.037 0.165 0.000 0.825 122 A CB 1.111 20.281 19.000 0.284 0.000 1.164 122 A HN 0.438 nan 8.150 nan 0.000 0.498 123 V N 2.181 122.195 119.914 0.167 0.000 2.350 123 V HA 0.659 4.779 4.120 -0.000 0.000 0.285 123 V C 0.483 176.679 176.094 0.171 0.000 1.014 123 V CA 0.054 62.443 62.300 0.148 0.000 0.831 123 V CB 0.655 32.525 31.823 0.078 0.000 1.000 123 V HN 1.217 nan 8.190 nan 0.000 0.433 124 A N 3.591 126.547 122.820 0.228 0.000 2.389 124 A HA 1.099 5.419 4.320 -0.000 0.000 0.293 124 A C 0.205 177.954 177.584 0.274 0.000 1.186 124 A CA -0.279 51.901 52.037 0.237 0.000 0.828 124 A CB 1.883 21.037 19.000 0.257 0.000 1.369 124 A HN 1.985 nan 8.150 nan 0.000 0.446 125 G N -1.874 107.137 108.800 0.351 0.000 2.357 125 G HA2 0.319 4.279 3.960 -0.000 0.000 0.643 125 G HA3 0.319 4.279 3.960 -0.000 0.000 0.643 125 G C 0.202 175.162 174.900 0.100 0.000 1.358 125 G CA 0.245 45.466 45.100 0.202 0.000 0.986 125 G HN 1.059 nan 8.290 nan 0.000 0.620 126 T N 0.529 115.020 114.554 -0.106 0.000 2.770 126 T HA 0.132 4.482 4.350 -0.000 0.000 0.263 126 T C 0.766 175.219 174.700 -0.412 0.000 1.039 126 T CA 1.780 63.673 62.100 -0.345 0.000 1.142 126 T CB -0.219 68.200 68.868 -0.748 0.000 0.868 126 T HN 0.618 nan 8.240 nan 0.000 0.435 127 H N -1.390 117.676 119.070 -0.007 0.000 2.690 127 H HA 0.501 5.057 4.556 -0.000 0.000 0.368 127 H C 1.084 176.445 175.328 0.055 0.000 1.150 127 H CA -0.339 55.706 56.048 -0.005 0.000 1.174 127 H CB 1.548 31.264 29.762 -0.076 0.000 1.684 127 H HN 0.346 nan 8.280 nan 0.000 0.538 128 G N 1.646 110.569 108.800 0.206 0.000 2.159 128 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.256 128 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.256 128 G C 1.131 176.101 174.900 0.118 0.000 0.977 128 G CA 0.536 45.734 45.100 0.163 0.000 0.652 128 G HN 0.584 nan 8.290 nan 0.000 0.531 129 K N -0.436 120.031 120.400 0.112 0.000 2.025 129 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 129 K C 2.601 179.238 176.600 0.060 0.000 1.049 129 K CA 1.762 58.101 56.287 0.086 0.000 0.933 129 K CB -0.361 32.191 32.500 0.087 0.000 0.714 129 K HN 0.316 nan 8.250 nan 0.000 0.438 130 T N 0.857 115.445 114.554 0.056 0.000 2.746 130 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 130 T C 1.944 176.671 174.700 0.044 0.000 1.039 130 T CA 1.775 63.891 62.100 0.026 0.000 1.142 130 T CB -0.336 68.515 68.868 -0.028 0.000 0.866 130 T HN 0.280 nan 8.240 nan 0.000 0.444 131 T N 1.750 116.349 114.554 0.075 0.000 2.674 131 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 131 T C 2.303 177.016 174.700 0.023 0.000 1.039 131 T CA 1.735 63.901 62.100 0.110 0.000 1.150 131 T CB -0.729 68.222 68.868 0.138 0.000 0.864 131 T HN 0.391 nan 8.240 nan 0.000 0.427 132 T N 1.788 116.335 114.554 -0.011 0.000 2.746 132 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 132 T C 2.281 176.922 174.700 -0.099 0.000 1.039 132 T CA 1.603 63.653 62.100 -0.083 0.000 1.142 132 T CB -0.714 68.125 68.868 -0.048 0.000 0.866 132 T HN 0.396 nan 8.240 nan 0.000 0.444 133 T N 2.145 116.670 114.554 -0.048 0.000 2.720 133 T HA 0.102 4.452 4.350 -0.000 0.000 0.268 133 T C 1.350 175.977 174.700 -0.123 0.000 1.037 133 T CA 0.912 62.975 62.100 -0.062 0.000 1.144 133 T CB -0.446 68.418 68.868 -0.006 0.000 0.864 133 T HN 0.540 nan 8.240 nan 0.000 0.444 140 Y N 1.820 122.039 120.300 -0.135 0.000 2.274 140 Y HA -0.215 4.335 4.550 -0.000 0.000 0.290 140 Y C 2.647 178.494 175.900 -0.089 0.000 1.145 140 Y CA 2.203 60.208 58.100 -0.159 0.000 1.203 140 Y CB -0.196 38.138 38.460 -0.211 0.000 0.984 140 Y HN 0.146 nan 8.280 nan 0.000 0.533 141 T N -0.715 113.900 114.554 0.102 0.000 2.737 141 T HA -0.242 4.107 4.350 -0.000 0.000 0.265 141 T C 1.772 176.485 174.700 0.022 0.000 1.038 141 T CA 1.560 63.699 62.100 0.065 0.000 1.144 141 T CB -0.262 68.634 68.868 0.047 0.000 0.866 141 T HN 0.195 nan 8.240 nan 0.000 0.434 142 Q N 1.345 121.146 119.800 0.002 0.000 2.224 142 Q HA 0.160 4.500 4.340 -0.000 0.000 0.203 142 Q C 1.938 177.917 176.000 -0.035 0.000 0.970 142 Q CA 1.295 57.090 55.803 -0.014 0.000 0.865 142 Q CB -0.524 28.204 28.738 -0.016 0.000 0.922 142 Q HN 0.481 nan 8.270 nan 0.000 0.445 143 A N 0.153 122.932 122.820 -0.068 0.000 2.252 143 A HA 0.043 4.362 4.320 -0.000 0.000 0.207 143 A C 0.157 177.704 177.584 -0.061 0.000 1.194 143 A CA 0.575 52.551 52.037 -0.101 0.000 0.809 143 A CB -0.389 18.482 19.000 -0.215 0.000 0.814 143 A HN 0.449 nan 8.150 nan 0.000 0.482 144 K N -1.881 118.508 120.400 -0.018 0.000 3.129 144 K HA -0.181 4.139 4.320 -0.000 0.000 0.273 144 K C 0.278 176.904 176.600 0.042 0.000 1.123 144 K CA 0.911 57.208 56.287 0.017 0.000 0.800 144 K CB -2.093 30.414 32.500 0.011 0.000 1.238 144 K HN 0.542 nan 8.250 nan 0.000 0.492 145 L N -0.022 121.227 121.223 0.045 0.000 2.567 145 L HA 0.041 4.380 4.340 -0.000 0.000 0.225 145 L C 0.563 177.563 176.870 0.217 0.000 1.119 145 L CA 0.062 54.970 54.840 0.113 0.000 0.871 145 L CB 0.009 42.051 42.059 -0.027 0.000 1.036 145 L HN 0.264 nan 8.230 nan 0.000 0.459 146 D N 0.729 121.242 120.400 0.188 0.000 2.803 146 D HA -0.120 4.520 4.640 -0.000 0.000 0.233 146 D C -2.169 174.325 176.300 0.324 0.000 1.182 146 D CA 0.001 54.148 54.000 0.244 0.000 0.726 146 D CB 0.026 40.952 40.800 0.210 0.000 0.987 146 D HN 0.146 nan 8.370 nan 0.000 0.412 147 P HA 0.141 nan 4.420 nan 0.000 0.274 147 P C -0.159 177.376 177.300 0.390 0.000 1.231 147 P CA -0.293 63.039 63.100 0.388 0.000 0.790 147 P CB 0.881 32.773 31.700 0.320 0.000 0.951 148 T N 3.058 117.776 114.554 0.273 0.000 2.869 148 T HA 0.485 4.835 4.350 -0.000 0.000 0.295 148 T C -0.010 174.828 174.700 0.231 0.000 0.987 148 T CA 0.251 62.435 62.100 0.141 0.000 1.109 148 T CB -0.379 68.530 68.868 0.067 0.000 0.932 148 T HN 0.335 nan 8.240 nan 0.000 0.518 149 F N 0.184 120.217 119.950 0.138 0.000 2.599 149 F HA 0.814 5.341 4.527 -0.000 0.000 0.311 149 F C -1.302 174.541 175.800 0.072 0.000 1.076 149 F CA -1.427 56.625 58.000 0.086 0.000 0.937 149 F CB 1.327 40.367 39.000 0.067 0.000 1.282 149 F HN 0.196 nan 8.300 nan 0.000 0.460 150 V N 2.604 122.685 119.914 0.279 0.000 2.445 150 V HA 0.331 4.450 4.120 -0.000 0.000 0.283 150 V C -0.895 175.317 176.094 0.196 0.000 1.014 150 V CA -0.646 61.758 62.300 0.174 0.000 0.852 150 V CB 1.024 32.903 31.823 0.092 0.000 1.021 150 V HN 0.960 nan 8.190 nan 0.000 0.435 151 N N 2.670 121.508 118.700 0.230 0.000 2.417 151 N HA 0.487 5.226 4.740 -0.000 0.000 0.300 151 N C 0.915 176.473 175.510 0.080 0.000 1.102 151 N CA -0.280 52.857 53.050 0.145 0.000 0.886 151 N CB 2.046 40.620 38.487 0.145 0.000 1.203 151 N HN 0.744 nan 8.380 nan 0.000 0.496 152 G N 0.771 109.594 108.800 0.038 0.000 3.474 152 G HA2 0.441 4.401 3.960 -0.000 0.000 0.269 152 G HA3 0.441 4.401 3.960 -0.000 0.000 0.269 152 G C 0.148 175.016 174.900 -0.053 0.000 1.339 152 G CA -0.108 44.993 45.100 0.002 0.000 1.258 152 G HN 0.677 nan 8.290 nan 0.000 0.560 153 G N -0.748 108.031 108.800 -0.036 0.000 2.387 153 G HA2 0.415 4.375 3.960 -0.000 0.000 0.294 153 G HA3 0.415 4.375 3.960 -0.000 0.000 0.294 153 G C -1.427 173.462 174.900 -0.018 0.000 1.509 153 G CA -0.999 44.053 45.100 -0.080 0.000 0.806 153 G HN 0.440 nan 8.290 nan 0.000 0.546 154 L N 0.950 122.156 121.223 -0.029 0.000 2.462 154 L HA 0.522 4.862 4.340 -0.000 0.000 0.272 154 L C 0.229 177.101 176.870 0.003 0.000 1.166 154 L CA -0.118 54.725 54.840 0.004 0.000 0.880 154 L CB 1.036 43.087 42.059 -0.015 0.000 1.142 154 L HN 0.304 nan 8.230 nan 0.000 0.473 155 V N 7.232 127.172 119.914 0.043 0.000 2.356 155 V HA 0.134 4.254 4.120 -0.000 0.000 0.258 155 V C 1.332 177.415 176.094 -0.018 0.000 1.065 155 V CA -0.335 61.965 62.300 -0.001 0.000 0.935 155 V CB 0.263 32.068 31.823 -0.031 0.000 1.061 155 V HN 0.850 nan 8.190 nan 0.000 0.484 156 K N 2.087 122.436 120.400 -0.085 0.000 2.074 156 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 156 K C 2.185 178.748 176.600 -0.062 0.000 1.048 156 K CA 1.753 57.990 56.287 -0.084 0.000 0.926 156 K CB -0.100 32.319 32.500 -0.136 0.000 0.713 156 K HN 0.594 nan 8.250 nan 0.000 0.444 157 S N 0.196 115.847 115.700 -0.081 0.000 2.423 157 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 157 S C 1.830 176.432 174.600 0.003 0.000 1.014 157 S CA 1.083 59.257 58.200 -0.043 0.000 0.965 157 S CB 0.004 63.178 63.200 -0.044 0.000 0.785 157 S HN 0.431 nan 8.310 nan 0.000 0.495 158 A N 0.203 123.045 122.820 0.038 0.000 2.132 158 A HA 0.490 4.810 4.320 -0.000 0.000 0.213 158 A C 1.747 179.384 177.584 0.088 0.000 1.154 158 A CA 0.863 52.963 52.037 0.104 0.000 0.753 158 A CB -0.696 18.473 19.000 0.280 0.000 0.826 158 A HN 0.821 nan 8.150 nan 0.000 0.469 159 G N -0.919 107.915 108.800 0.057 0.000 2.168 159 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 159 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 159 G C 0.118 175.051 174.900 0.055 0.000 0.997 159 G CA 0.932 46.057 45.100 0.041 0.000 0.708 159 G HN 0.543 nan 8.290 nan 0.000 0.520 160 K N -1.477 118.982 120.400 0.099 0.000 2.536 160 K HA 0.347 4.667 4.320 -0.000 0.000 0.269 160 K C 0.310 177.011 176.600 0.168 0.000 0.965 160 K CA -0.933 55.417 56.287 0.105 0.000 0.860 160 K CB 1.089 33.650 32.500 0.100 0.000 1.423 160 K HN -0.039 nan 8.250 nan 0.000 0.438 161 N N 0.153 118.926 118.700 0.122 0.000 2.416 161 N HA 0.044 4.783 4.740 -0.000 0.000 0.177 161 N C -0.206 175.457 175.510 0.255 0.000 1.036 161 N CA 0.517 53.663 53.050 0.159 0.000 0.901 161 N CB 0.384 38.912 38.487 0.067 0.000 0.976 161 N HN 0.584 nan 8.380 nan 0.000 0.444 162 A N -0.855 122.017 122.820 0.088 0.000 2.572 162 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 162 A C -1.594 175.732 177.584 -0.430 0.000 1.072 162 A CA -0.635 51.294 52.037 -0.179 0.000 0.691 162 A CB 1.507 20.448 19.000 -0.099 0.000 1.291 162 A HN 0.271 nan 8.150 nan 0.000 0.404 163 H N 1.759 120.257 119.070 -0.953 0.000 2.947 163 H HA 0.473 5.029 4.556 -0.000 0.000 0.354 163 H C -2.191 172.875 175.328 -0.436 0.000 1.085 163 H CA -0.541 55.083 56.048 -0.707 0.000 1.253 163 H CB 1.591 30.770 29.762 -0.971 0.000 1.757 163 H HN 0.672 nan 8.280 nan 0.000 0.523 164 L N 4.977 125.735 121.223 -0.774 0.000 2.278 164 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 164 L C 0.130 176.567 176.870 -0.722 0.000 1.072 164 L CA 0.246 54.763 54.840 -0.538 0.000 0.819 164 L CB 0.578 42.461 42.059 -0.294 0.000 1.176 164 L HN 0.742 nan 8.230 nan 0.000 0.435 165 G N 3.013 111.647 108.800 -0.277 0.000 2.461 165 G HA2 0.544 4.504 3.960 -0.000 0.000 0.329 165 G HA3 0.544 4.504 3.960 -0.000 0.000 0.329 165 G C 0.335 175.254 174.900 0.031 0.000 1.170 165 G CA -0.177 44.925 45.100 0.004 0.000 0.935 165 G HN 0.940 nan 8.290 nan 0.000 0.492 166 A N 0.053 122.921 122.820 0.079 0.000 2.169 166 A HA 0.330 4.650 4.320 -0.000 0.000 0.212 166 A C 1.880 179.510 177.584 0.076 0.000 1.153 166 A CA 1.064 53.137 52.037 0.060 0.000 0.756 166 A CB -0.531 18.502 19.000 0.056 0.000 0.813 166 A HN 1.083 nan 8.150 nan 0.000 0.471 167 S N -0.911 114.865 115.700 0.126 0.000 2.632 167 S HA 0.344 4.814 4.470 -0.000 0.000 0.267 167 S C 0.754 175.399 174.600 0.075 0.000 1.193 167 S CA -0.439 57.836 58.200 0.125 0.000 1.003 167 S CB 0.436 63.803 63.200 0.278 0.000 1.073 167 S HN 0.354 nan 8.310 nan 0.000 0.553 168 R N -1.211 119.272 120.500 -0.029 0.000 2.317 168 R HA 0.184 4.524 4.340 -0.000 0.000 0.208 168 R C -0.559 175.733 176.300 -0.012 0.000 0.914 168 R CA -0.030 56.043 56.100 -0.044 0.000 1.060 168 R CB -0.155 30.082 30.300 -0.105 0.000 1.015 168 R HN 0.563 nan 8.270 nan 0.000 0.498 169 Y N 0.764 121.156 120.300 0.153 0.000 2.425 169 Y HA 0.129 4.679 4.550 -0.000 0.000 0.331 169 Y C 0.132 176.116 175.900 0.139 0.000 1.157 169 Y CA -0.316 57.889 58.100 0.176 0.000 1.372 169 Y CB 0.544 39.119 38.460 0.193 0.000 1.253 169 Y HN -0.089 nan 8.280 nan 0.000 0.536 170 L N 5.348 126.744 121.223 0.287 0.000 2.406 170 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 170 L C -1.410 175.542 176.870 0.137 0.000 0.980 170 L CA -0.583 54.370 54.840 0.188 0.000 0.831 170 L CB 0.987 43.126 42.059 0.134 0.000 1.253 170 L HN 0.493 nan 8.230 nan 0.000 0.406 171 I N 5.237 125.881 120.570 0.124 0.000 2.339 171 I HA 0.790 4.960 4.170 -0.000 0.000 0.290 171 I C -0.110 176.077 176.117 0.117 0.000 0.994 171 I CA -0.284 61.047 61.300 0.051 0.000 1.191 171 I CB 1.666 39.637 38.000 -0.049 0.000 1.343 171 I HN 0.787 nan 8.210 nan 0.000 0.458 172 A N 5.107 127.982 122.820 0.091 0.000 2.427 172 A HA 0.502 4.822 4.320 -0.000 0.000 0.298 172 A C -0.686 176.958 177.584 0.101 0.000 1.036 172 A CA -0.625 51.478 52.037 0.110 0.000 0.701 172 A CB 1.310 20.376 19.000 0.110 0.000 1.250 172 A HN 0.727 nan 8.150 nan 0.000 0.412 173 E N 1.739 121.994 120.200 0.093 0.000 2.360 173 E HA 0.493 4.843 4.350 -0.000 0.000 0.269 173 E C -0.045 176.607 176.600 0.087 0.000 1.022 173 E CA -0.051 56.398 56.400 0.082 0.000 0.887 173 E CB 0.760 30.497 29.700 0.062 0.000 0.990 173 E HN 0.856 nan 8.360 nan 0.000 0.426 174 A N 4.839 127.712 122.820 0.089 0.000 2.323 174 A HA 0.213 4.533 4.320 -0.000 0.000 0.305 174 A C -0.957 176.598 177.584 -0.048 0.000 1.275 174 A CA -0.820 51.267 52.037 0.083 0.000 0.804 174 A CB 0.991 20.083 19.000 0.153 0.000 1.152 174 A HN 0.714 nan 8.150 nan 0.000 0.487 175 D N 2.136 122.461 120.400 -0.125 0.000 2.351 175 D HA 0.136 4.776 4.640 -0.000 0.000 0.251 175 D C 1.115 176.980 176.300 -0.724 0.000 1.137 175 D CA 0.009 53.837 54.000 -0.287 0.000 0.879 175 D CB 1.026 41.717 40.800 -0.181 0.000 1.181 175 D HN 0.611 nan 8.370 nan 0.000 0.448 176 E N 2.115 121.782 120.200 -0.888 0.000 2.472 176 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 176 E C 1.176 177.449 176.600 -0.546 0.000 1.033 176 E CA 0.275 55.890 56.400 -1.308 0.000 0.886 176 E CB -0.348 28.625 29.700 -1.213 0.000 0.944 176 E HN 0.362 nan 8.360 nan 0.000 0.492 177 S N 2.150 117.569 115.700 -0.469 0.000 2.400 177 S HA -0.184 4.286 4.470 -0.000 0.000 0.232 177 S C 1.156 175.582 174.600 -0.289 0.000 1.025 177 S CA 1.554 59.440 58.200 -0.523 0.000 0.993 177 S CB -0.389 62.226 63.200 -0.975 0.000 0.808 177 S HN 0.375 nan 8.310 nan 0.000 0.478 178 D N -0.329 119.900 120.400 -0.285 0.000 2.501 178 D HA 0.534 5.174 4.640 -0.000 0.000 0.224 178 D C 0.807 176.977 176.300 -0.216 0.000 1.202 178 D CA 0.216 54.082 54.000 -0.224 0.000 0.829 178 D CB -0.121 40.591 40.800 -0.146 0.000 1.023 178 D HN 0.620 nan 8.370 nan 0.000 0.499 179 A N 0.659 123.323 122.820 -0.260 0.000 2.829 179 A HA -0.290 4.030 4.320 -0.000 0.000 0.267 179 A C 1.788 179.374 177.584 0.003 0.000 1.370 179 A CA 1.477 53.434 52.037 -0.134 0.000 0.900 179 A CB -2.572 16.403 19.000 -0.041 0.000 1.044 179 A HN 0.776 nan 8.150 nan 0.000 0.691 180 S N -0.207 115.460 115.700 -0.056 0.000 2.522 180 S HA 0.065 4.535 4.470 -0.000 0.000 0.227 180 S C 1.465 176.213 174.600 0.247 0.000 0.986 180 S CA 0.989 59.249 58.200 0.100 0.000 0.929 180 S CB -0.749 62.511 63.200 0.101 0.000 0.769 180 S HN 1.638 nan 8.310 nan 0.000 0.529 181 F N 1.986 121.885 119.950 -0.084 0.000 2.494 181 F HA 0.262 4.789 4.527 -0.000 0.000 0.298 181 F C 1.294 177.166 175.800 0.120 0.000 1.106 181 F CA -0.720 57.233 58.000 -0.078 0.000 1.452 181 F CB -1.590 37.135 39.000 -0.459 0.000 1.085 181 F HN 0.199 nan 8.300 nan 0.000 0.569 182 L N 0.009 121.428 121.223 0.326 0.000 2.362 182 L HA -0.164 4.176 4.340 -0.000 0.000 0.219 182 L C 2.633 179.509 176.870 0.011 0.000 1.134 182 L CA 0.758 55.652 54.840 0.091 0.000 0.807 182 L CB -1.006 41.059 42.059 0.011 0.000 0.927 182 L HN 0.204 nan 8.230 nan 0.000 0.447 183 H N 0.213 119.353 119.070 0.116 0.000 2.423 183 H HA 0.075 4.631 4.556 -0.000 0.000 0.297 183 H C 0.970 176.326 175.328 0.048 0.000 1.075 183 H CA 0.477 56.562 56.048 0.062 0.000 1.342 183 H CB -0.014 29.779 29.762 0.052 0.000 1.395 183 H HN 0.248 nan 8.280 nan 0.000 0.530 184 L N 2.159 123.510 121.223 0.214 0.000 2.380 184 L HA 0.073 4.413 4.340 -0.000 0.000 0.273 184 L C 0.284 177.164 176.870 0.017 0.000 1.138 184 L CA -0.034 54.890 54.840 0.140 0.000 0.832 184 L CB 0.647 42.847 42.059 0.235 0.000 1.124 184 L HN -0.017 nan 8.230 nan 0.000 0.454 185 Q N 3.290 123.070 119.800 -0.035 0.000 2.700 185 Q HA 0.396 4.736 4.340 -0.000 0.000 0.249 185 Q C -2.301 173.622 176.000 -0.129 0.000 1.033 185 Q CA -1.566 54.172 55.803 -0.108 0.000 0.804 185 Q CB 1.086 29.763 28.738 -0.102 0.000 1.164 185 Q HN 0.414 nan 8.270 nan 0.000 0.500 189 S N 2.530 118.212 115.700 -0.030 0.000 2.561 189 S HA 0.734 5.204 4.470 -0.000 0.000 0.303 189 S C -0.462 174.203 174.600 0.108 0.000 1.110 189 S CA -0.600 57.618 58.200 0.030 0.000 1.034 189 S CB 1.986 65.116 63.200 -0.117 0.000 1.010 189 S HN 0.554 nan 8.310 nan 0.000 0.482 190 V N 3.628 123.638 119.914 0.160 0.000 2.481 190 V HA 0.496 4.615 4.120 -0.000 0.000 0.286 190 V C -0.352 175.889 176.094 0.245 0.000 1.042 190 V CA -0.519 61.884 62.300 0.170 0.000 0.928 190 V CB 1.587 33.475 31.823 0.109 0.000 0.986 190 V HN 0.671 nan 8.190 nan 0.000 0.462 191 V N 4.022 124.077 119.914 0.235 0.000 2.409 191 V HA 0.245 4.364 4.120 -0.000 0.000 0.290 191 V C 1.021 177.220 176.094 0.176 0.000 1.017 191 V CA 0.063 62.493 62.300 0.216 0.000 0.841 191 V CB 1.351 33.277 31.823 0.172 0.000 1.003 191 V HN 1.049 nan 8.190 nan 0.000 0.426 192 T N 1.370 116.027 114.554 0.172 0.000 2.896 192 T HA 0.057 4.406 4.350 -0.000 0.000 0.263 192 T C 0.597 175.348 174.700 0.085 0.000 1.050 192 T CA 1.278 63.498 62.100 0.201 0.000 1.140 192 T CB -0.115 68.862 68.868 0.181 0.000 0.877 192 T HN 0.822 nan 8.240 nan 0.000 0.457 196 P HA 0.126 nan 4.420 nan 0.000 0.261 196 P C -1.221 176.175 177.300 0.161 0.000 1.203 196 P CA 0.687 63.818 63.100 0.052 0.000 0.767 196 P CB 0.323 31.959 31.700 -0.107 0.000 0.785 197 D N 1.312 121.796 120.400 0.141 0.000 2.609 197 D HA 0.320 4.960 4.640 -0.000 0.000 0.239 197 D C -0.617 175.734 176.300 0.084 0.000 1.229 197 D CA 0.049 54.074 54.000 0.042 0.000 0.808 197 D CB 0.926 41.656 40.800 -0.117 0.000 1.448 197 D HN 0.379 nan 8.370 nan 0.000 0.433 201 T N -0.101 114.460 114.554 0.011 0.000 2.759 201 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 201 T C 1.206 175.664 174.700 -0.404 0.000 1.042 201 T CA 1.133 63.085 62.100 -0.246 0.000 1.140 201 T CB -0.198 68.422 68.868 -0.413 0.000 0.864 201 T HN 0.228 nan 8.240 nan 0.000 0.455 202 Y N 0.868 121.212 120.300 0.075 0.000 2.571 202 Y HA 0.300 4.850 4.550 -0.000 0.000 0.275 202 Y C 0.607 176.552 175.900 0.075 0.000 1.179 202 Y CA -0.662 57.482 58.100 0.072 0.000 1.242 202 Y CB -0.406 38.111 38.460 0.095 0.000 1.126 202 Y HN 0.232 nan 8.280 nan 0.000 0.524 203 E N -0.400 119.879 120.200 0.131 0.000 2.440 203 E HA -0.292 4.058 4.350 -0.000 0.000 0.246 203 E C 1.450 178.128 176.600 0.130 0.000 1.165 203 E CA 0.557 57.020 56.400 0.104 0.000 0.726 203 E CB -1.603 28.142 29.700 0.075 0.000 1.271 203 E HN 0.767 nan 8.360 nan 0.000 0.397 204 G N 0.470 109.371 108.800 0.168 0.000 2.166 204 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 204 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 204 G C -0.227 174.776 174.900 0.172 0.000 0.986 204 G CA 0.372 45.567 45.100 0.159 0.000 0.683 204 G HN 0.422 nan 8.290 nan 0.000 0.527 205 D N -0.905 119.616 120.400 0.203 0.000 2.454 205 D HA 0.447 5.087 4.640 -0.000 0.000 0.225 205 D C 0.955 177.385 176.300 0.218 0.000 1.081 205 D CA -0.961 53.151 54.000 0.188 0.000 0.864 205 D CB 0.142 41.031 40.800 0.148 0.000 1.040 205 D HN 0.043 nan 8.370 nan 0.000 0.517 206 F N 2.995 122.972 119.950 0.045 0.000 2.269 206 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 206 F C 1.885 177.678 175.800 -0.011 0.000 1.082 206 F CA 0.912 58.911 58.000 -0.002 0.000 1.360 206 F CB 0.614 39.611 39.000 -0.005 0.000 1.041 206 F HN 0.338 nan 8.300 nan 0.000 0.512 207 E N 0.939 121.154 120.200 0.024 0.000 2.153 207 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 207 E C 0.925 177.484 176.600 -0.068 0.000 0.988 207 E CA 0.795 57.162 56.400 -0.055 0.000 0.811 207 E CB -0.266 29.449 29.700 0.025 0.000 0.746 207 E HN 0.465 nan 8.360 nan 0.000 0.466 211 A N 1.251 124.037 122.820 -0.057 0.000 1.972 211 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 211 A C 1.948 179.548 177.584 0.026 0.000 1.169 211 A CA 2.271 54.302 52.037 -0.010 0.000 0.635 211 A CB -0.783 18.224 19.000 0.011 0.000 0.810 211 A HN 0.292 nan 8.150 nan 0.000 0.446 212 T N -1.528 113.075 114.554 0.082 0.000 2.777 212 T HA -0.109 4.240 4.350 -0.000 0.000 0.266 212 T C 1.704 176.478 174.700 0.123 0.000 1.040 212 T CA 1.586 63.774 62.100 0.147 0.000 1.141 212 T CB -0.400 68.646 68.868 0.297 0.000 0.868 212 T HN 0.547 nan 8.240 nan 0.000 0.444 213 Y N 1.008 121.354 120.300 0.077 0.000 2.224 213 Y HA -0.118 4.432 4.550 -0.000 0.000 0.289 213 Y C 2.548 178.426 175.900 -0.036 0.000 1.146 213 Y CA 0.599 58.747 58.100 0.080 0.000 1.182 213 Y CB -0.598 37.885 38.460 0.039 0.000 0.983 213 Y HN -0.012 nan 8.280 nan 0.000 0.524 214 V N 0.179 120.109 119.914 0.026 0.000 2.287 214 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 214 V C 2.146 177.966 176.094 -0.457 0.000 1.053 214 V CA 2.010 64.170 62.300 -0.233 0.000 1.027 214 V CB -0.527 31.152 31.823 -0.239 0.000 0.646 214 V HN 0.362 nan 8.190 nan 0.000 0.447 215 K N -0.702 119.552 120.400 -0.242 0.000 2.063 215 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 215 K C 2.109 178.620 176.600 -0.148 0.000 1.048 215 K CA 2.012 58.202 56.287 -0.163 0.000 0.928 215 K CB -0.412 32.066 32.500 -0.035 0.000 0.713 215 K HN 0.506 nan 8.250 nan 0.000 0.442 216 F N 1.842 121.573 119.950 -0.365 0.000 2.095 216 F HA -0.218 4.308 4.527 -0.000 0.000 0.298 216 F C 1.806 177.407 175.800 -0.332 0.000 1.104 216 F CA 1.340 59.014 58.000 -0.543 0.000 1.232 216 F CB -0.113 38.174 39.000 -1.189 0.000 0.987 216 F HN -0.100 nan 8.300 nan 0.000 0.475 217 L N -0.465 120.520 121.223 -0.397 0.000 2.191 217 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 217 L C 2.153 178.905 176.870 -0.196 0.000 1.103 217 L CA 1.319 55.938 54.840 -0.369 0.000 0.769 217 L CB -1.017 40.956 42.059 -0.143 0.000 0.908 217 L HN 0.287 nan 8.230 nan 0.000 0.438 218 H N -0.702 118.244 119.070 -0.207 0.000 2.545 218 H HA -0.052 4.504 4.556 -0.000 0.000 0.282 218 H C 1.527 176.739 175.328 -0.194 0.000 1.020 218 H CA 0.053 56.006 56.048 -0.159 0.000 1.243 218 H CB 0.188 29.893 29.762 -0.095 0.000 1.377 218 H HN 0.346 nan 8.280 nan 0.000 0.581 219 N N 0.595 119.193 118.700 -0.170 0.000 2.459 219 N HA -0.031 4.709 4.740 -0.000 0.000 0.181 219 N C 0.283 175.645 175.510 -0.246 0.000 1.046 219 N CA 0.293 53.216 53.050 -0.212 0.000 0.904 219 N CB 0.049 38.367 38.487 -0.282 0.000 0.964 219 N HN 0.274 nan 8.380 nan 0.000 0.444 220 L N 2.422 123.475 121.223 -0.283 0.000 2.506 220 L HA 0.071 4.411 4.340 -0.000 0.000 0.281 220 L C -1.655 175.033 176.870 -0.304 0.000 1.228 220 L CA -1.239 53.424 54.840 -0.294 0.000 0.850 220 L CB 0.003 41.905 42.059 -0.261 0.000 1.110 220 L HN 0.010 nan 8.230 nan 0.000 0.496 221 P HA -0.077 nan 4.420 nan 0.000 0.271 221 P C 0.607 177.545 177.300 -0.603 0.000 1.233 221 P CA -0.208 62.506 63.100 -0.643 0.000 0.789 221 P CB 0.311 31.227 31.700 -1.307 0.000 0.951 222 F N 0.201 119.925 119.950 -0.376 0.000 2.236 222 F HA -0.199 4.328 4.527 -0.000 0.000 0.302 222 F C 1.802 177.530 175.800 -0.121 0.000 1.073 222 F CA 0.872 58.766 58.000 -0.177 0.000 1.336 222 F CB -1.783 37.189 39.000 -0.046 0.000 1.040 222 F HN 0.279 nan 8.300 nan 0.000 0.507 223 Y N 0.065 119.975 120.300 -0.649 0.000 2.457 223 Y HA 0.599 5.149 4.550 -0.000 0.000 0.263 223 Y C 1.317 177.096 175.900 -0.202 0.000 1.164 223 Y CA -1.053 56.809 58.100 -0.398 0.000 1.274 223 Y CB -1.122 36.972 38.460 -0.610 0.000 1.097 223 Y HN 0.052 nan 8.280 nan 0.000 0.523 224 G N 1.500 110.037 108.800 -0.438 0.000 2.667 224 G HA2 0.324 4.284 3.960 -0.000 0.000 0.250 224 G HA3 0.324 4.284 3.960 -0.000 0.000 0.250 224 G C -1.391 173.460 174.900 -0.081 0.000 1.212 224 G CA -0.448 44.502 45.100 -0.250 0.000 0.874 224 G HN 0.275 nan 8.290 nan 0.000 0.561 225 L N 0.358 121.556 121.223 -0.043 0.000 2.362 225 L HA 0.758 5.098 4.340 -0.000 0.000 0.275 225 L C 0.110 176.979 176.870 -0.002 0.000 0.998 225 L CA -0.740 54.107 54.840 0.010 0.000 0.820 225 L CB 1.737 43.831 42.059 0.059 0.000 1.270 225 L HN 0.701 nan 8.230 nan 0.000 0.415 226 A N 5.035 127.867 122.820 0.020 0.000 2.271 226 A HA 0.768 5.088 4.320 -0.000 0.000 0.317 226 A C -0.751 176.882 177.584 0.081 0.000 1.245 226 A CA -0.460 51.598 52.037 0.036 0.000 0.857 226 A CB 0.892 19.908 19.000 0.027 0.000 1.175 226 A HN 0.567 nan 8.150 nan 0.000 0.512 230 A N 2.578 125.164 122.820 -0.389 0.000 2.125 230 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 230 A C 1.392 178.909 177.584 -0.111 0.000 1.156 230 A CA 2.124 54.060 52.037 -0.169 0.000 0.671 230 A CB -0.181 18.759 19.000 -0.101 0.000 0.794 230 A HN 0.897 nan 8.150 nan 0.000 0.459 231 D N -0.048 120.277 120.400 -0.126 0.000 2.340 231 D HA 0.026 4.665 4.640 -0.000 0.000 0.220 231 D C -0.082 176.188 176.300 -0.050 0.000 1.039 231 D CA 0.277 54.248 54.000 -0.047 0.000 0.866 231 D CB 0.076 40.882 40.800 0.011 0.000 0.913 231 D HN 0.357 nan 8.370 nan 0.000 0.523 232 D N 1.072 121.426 120.400 -0.078 0.000 2.359 232 D HA 0.074 4.714 4.640 -0.000 0.000 0.230 232 D C -1.493 174.781 176.300 -0.044 0.000 1.118 232 D CA -1.890 52.076 54.000 -0.056 0.000 0.844 232 D CB 2.267 43.024 40.800 -0.071 0.000 1.059 232 D HN -0.074 nan 8.370 nan 0.000 0.493 233 P HA -0.109 nan 4.420 nan 0.000 0.220 233 P C 1.594 178.891 177.300 -0.005 0.000 1.148 233 P CA 0.336 63.427 63.100 -0.014 0.000 0.803 233 P CB 0.608 32.303 31.700 -0.007 0.000 0.782 234 V N 0.228 120.147 119.914 0.007 0.000 2.307 234 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 234 V C 2.037 178.108 176.094 -0.038 0.000 1.045 234 V CA 1.062 63.374 62.300 0.019 0.000 1.024 234 V CB -0.886 30.993 31.823 0.093 0.000 0.651 234 V HN 0.010 nan 8.190 nan 0.000 0.449 238 L N 1.656 122.866 121.223 -0.021 0.000 2.418 238 L HA 0.084 4.424 4.340 -0.000 0.000 0.218 238 L C 2.324 179.192 176.870 -0.004 0.000 1.125 238 L CA 0.323 55.150 54.840 -0.022 0.000 0.835 238 L CB -0.007 42.023 42.059 -0.048 0.000 0.953 238 L HN 0.024 nan 8.230 nan 0.000 0.454 239 V N 1.067 120.981 119.914 -0.001 0.000 2.250 239 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 239 V C -0.071 176.038 176.094 0.025 0.000 1.060 239 V CA 2.246 64.554 62.300 0.013 0.000 1.030 239 V CB -1.581 30.249 31.823 0.011 0.000 0.643 239 V HN 0.384 nan 8.190 nan 0.000 0.445 240 P HA -0.143 nan 4.420 nan 0.000 0.221 240 P C 1.372 178.698 177.300 0.044 0.000 1.145 240 P CA 1.346 64.463 63.100 0.029 0.000 0.795 240 P CB -0.075 31.637 31.700 0.021 0.000 0.775 241 K N -1.251 119.178 120.400 0.049 0.000 2.400 241 K HA 0.053 4.373 4.320 -0.000 0.000 0.194 241 K C 1.655 178.359 176.600 0.173 0.000 1.033 241 K CA 0.234 56.571 56.287 0.085 0.000 1.021 241 K CB -0.103 32.423 32.500 0.044 0.000 0.808 241 K HN 0.000 nan 8.250 nan 0.000 0.505 242 V N 0.508 120.496 119.914 0.123 0.000 2.307 242 V HA -0.099 4.021 4.120 -0.000 0.000 0.245 242 V C 1.500 177.719 176.094 0.208 0.000 1.045 242 V CA 1.817 64.209 62.300 0.154 0.000 1.024 242 V CB -0.797 31.067 31.823 0.069 0.000 0.651 242 V HN 0.601 nan 8.190 nan 0.000 0.449 243 G N 0.507 109.367 108.800 0.101 0.000 2.179 243 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 243 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 243 G C 0.188 175.103 174.900 0.024 0.000 1.010 243 G CA 0.504 45.623 45.100 0.032 0.000 0.736 243 G HN 0.438 nan 8.290 nan 0.000 0.513 244 R N -0.728 119.798 120.500 0.043 0.000 2.836 244 R HA 0.462 4.802 4.340 -0.000 0.000 0.269 244 R C 0.078 176.402 176.300 0.040 0.000 1.010 244 R CA -1.008 55.109 56.100 0.029 0.000 0.930 244 R CB 0.474 30.773 30.300 -0.001 0.000 1.218 244 R HN 0.373 nan 8.270 nan 0.000 0.473 245 Q N 1.215 121.042 119.800 0.045 0.000 2.286 245 Q HA 0.127 4.467 4.340 -0.000 0.000 0.290 245 Q C -0.906 175.126 176.000 0.054 0.000 1.049 245 Q CA 0.339 56.176 55.803 0.056 0.000 0.923 245 Q CB 0.648 29.428 28.738 0.069 0.000 1.183 245 Q HN 0.263 nan 8.270 nan 0.000 0.383 246 V N 6.202 126.152 119.914 0.060 0.000 2.448 246 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 246 V C -0.174 175.973 176.094 0.089 0.000 1.025 246 V CA -0.719 61.622 62.300 0.067 0.000 0.859 246 V CB 1.678 33.533 31.823 0.053 0.000 0.988 246 V HN 0.703 nan 8.190 nan 0.000 0.431 247 I N 4.463 125.105 120.570 0.120 0.000 2.404 247 I HA 0.478 4.648 4.170 -0.000 0.000 0.293 247 I C 0.464 176.698 176.117 0.195 0.000 0.992 247 I CA -0.006 61.399 61.300 0.175 0.000 1.149 247 I CB 2.247 40.387 38.000 0.233 0.000 1.315 247 I HN 0.786 nan 8.210 nan 0.000 0.446 248 T N 4.160 118.826 114.554 0.187 0.000 2.940 248 T HA 0.764 5.114 4.350 -0.000 0.000 0.288 248 T C -0.772 174.075 174.700 0.245 0.000 1.033 248 T CA -0.541 61.639 62.100 0.134 0.000 1.033 248 T CB 2.010 70.892 68.868 0.023 0.000 1.079 248 T HN 0.452 nan 8.240 nan 0.000 0.496 249 Y N -1.359 118.988 120.300 0.077 0.000 2.562 249 Y HA 0.843 5.393 4.550 -0.000 0.000 0.345 249 Y C -0.123 175.778 175.900 0.002 0.000 1.045 249 Y CA -0.680 57.458 58.100 0.062 0.000 1.028 249 Y CB 1.359 39.832 38.460 0.021 0.000 1.297 249 Y HN 1.258 nan 8.280 nan 0.000 0.463 250 G N 0.787 109.608 108.800 0.034 0.000 2.356 250 G HA2 0.052 4.012 3.960 -0.000 0.000 0.288 250 G HA3 0.052 4.012 3.960 -0.000 0.000 0.288 250 G C -0.996 173.813 174.900 -0.152 0.000 1.302 250 G CA -0.579 44.469 45.100 -0.086 0.000 0.887 250 G HN 0.587 nan 8.290 nan 0.000 0.521 251 F N 1.187 121.127 119.950 -0.016 0.000 2.558 251 F HA 0.291 4.817 4.527 -0.000 0.000 0.298 251 F C 2.183 177.982 175.800 -0.002 0.000 1.119 251 F CA 0.978 58.974 58.000 -0.007 0.000 1.451 251 F CB 0.252 39.234 39.000 -0.029 0.000 1.091 251 F HN 0.359 nan 8.300 nan 0.000 0.563 252 S N 1.051 116.835 115.700 0.139 0.000 2.558 252 S HA -0.096 4.374 4.470 -0.000 0.000 0.293 252 S C 1.530 176.164 174.600 0.058 0.000 1.292 252 S CA -0.421 57.823 58.200 0.075 0.000 1.063 252 S CB 0.470 63.688 63.200 0.029 0.000 0.831 252 S HN 0.238 nan 8.310 nan 0.000 0.499 253 E N 2.807 123.037 120.200 0.050 0.000 2.333 253 E HA -0.108 4.242 4.350 -0.000 0.000 0.198 253 E C 1.413 178.027 176.600 0.023 0.000 1.007 253 E CA 0.844 57.267 56.400 0.038 0.000 0.845 253 E CB -0.021 29.698 29.700 0.033 0.000 0.766 253 E HN 0.665 nan 8.360 nan 0.000 0.507 254 Q N -0.315 119.496 119.800 0.019 0.000 2.425 254 Q HA 0.177 4.517 4.340 -0.000 0.000 0.204 254 Q C 0.452 176.458 176.000 0.011 0.000 0.933 254 Q CA 0.034 55.844 55.803 0.011 0.000 0.939 254 Q CB 0.086 28.828 28.738 0.008 0.000 1.044 254 Q HN 0.097 nan 8.270 nan 0.000 0.513 255 A N 1.468 124.298 122.820 0.016 0.000 2.511 255 A HA 0.013 4.333 4.320 -0.000 0.000 0.242 255 A C 0.717 178.318 177.584 0.029 0.000 1.069 255 A CA -0.124 51.931 52.037 0.029 0.000 0.763 255 A CB 0.330 19.353 19.000 0.037 0.000 1.001 255 A HN 0.065 nan 8.150 nan 0.000 0.498 256 D N 0.334 120.768 120.400 0.056 0.000 2.117 256 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 256 D C -0.360 175.851 176.300 -0.149 0.000 0.982 256 D CA 1.858 55.849 54.000 -0.016 0.000 0.828 256 D CB -0.017 40.823 40.800 0.067 0.000 0.967 256 D HN 0.677 nan 8.370 nan 0.000 0.464 257 Y N 0.580 120.918 120.300 0.064 0.000 2.587 257 Y HA 0.284 4.834 4.550 -0.000 0.000 0.328 257 Y C 0.470 176.395 175.900 0.041 0.000 0.980 257 Y CA -0.689 57.447 58.100 0.059 0.000 1.272 257 Y CB 0.939 39.445 38.460 0.077 0.000 1.094 257 Y HN -0.318 nan 8.280 nan 0.000 0.503 258 R N 3.989 124.543 120.500 0.090 0.000 2.265 258 R HA 0.566 4.905 4.340 -0.000 0.000 0.319 258 R C -1.071 175.231 176.300 0.003 0.000 1.006 258 R CA -0.515 55.604 56.100 0.032 0.000 0.880 258 R CB 0.640 30.953 30.300 0.022 0.000 1.077 258 R HN 0.668 nan 8.270 nan 0.000 0.454 259 I N 3.648 124.132 120.570 -0.142 0.000 2.365 259 I HA 0.231 4.400 4.170 -0.000 0.000 0.291 259 I C 0.161 176.244 176.117 -0.057 0.000 1.004 259 I CA 0.008 61.168 61.300 -0.234 0.000 1.311 259 I CB 1.404 38.866 38.000 -0.896 0.000 1.401 259 I HN 0.553 nan 8.210 nan 0.000 0.491 260 E N 4.186 124.455 120.200 0.115 0.000 2.369 260 E HA 0.256 4.606 4.350 -0.000 0.000 0.270 260 E C -1.068 175.688 176.600 0.259 0.000 0.909 260 E CA -0.784 55.733 56.400 0.195 0.000 0.775 260 E CB 1.596 31.377 29.700 0.134 0.000 1.270 260 E HN 0.513 nan 8.360 nan 0.000 0.445 261 D N 0.789 121.337 120.400 0.246 0.000 2.772 261 D HA -0.244 4.396 4.640 -0.000 0.000 0.233 261 D C -0.804 175.657 176.300 0.267 0.000 1.143 261 D CA 0.919 55.044 54.000 0.208 0.000 0.700 261 D CB -1.615 39.266 40.800 0.134 0.000 1.076 261 D HN 0.405 nan 8.370 nan 0.000 0.430 262 Y N 1.123 121.592 120.300 0.281 0.000 2.526 262 Y HA 0.216 4.766 4.550 -0.000 0.000 0.330 262 Y C 0.589 176.614 175.900 0.209 0.000 1.156 262 Y CA 0.581 58.866 58.100 0.308 0.000 1.419 262 Y CB 0.591 39.279 38.460 0.379 0.000 1.250 262 Y HN 0.010 nan 8.280 nan 0.000 0.540 263 E N 5.466 125.352 120.200 -0.524 0.000 2.308 263 E HA 0.171 4.521 4.350 -0.000 0.000 0.275 263 E C -1.730 174.557 176.600 -0.522 0.000 0.890 263 E CA -0.926 55.268 56.400 -0.344 0.000 0.754 263 E CB 1.622 31.246 29.700 -0.125 0.000 1.207 263 E HN 0.740 nan 8.360 nan 0.000 0.426 264 Q N 2.195 121.882 119.800 -0.187 0.000 2.278 264 Q HA 0.339 4.679 4.340 -0.000 0.000 0.257 264 Q C -1.338 174.683 176.000 0.034 0.000 0.928 264 Q CA -0.226 55.575 55.803 -0.003 0.000 0.932 264 Q CB 1.434 30.284 28.738 0.186 0.000 1.221 264 Q HN 0.384 nan 8.270 nan 0.000 0.434 265 T N 3.508 118.113 114.554 0.084 0.000 2.815 265 T HA 0.536 4.886 4.350 -0.000 0.000 0.289 265 T C 0.306 175.014 174.700 0.013 0.000 1.000 265 T CA 0.221 62.348 62.100 0.045 0.000 0.958 265 T CB 1.269 70.183 68.868 0.076 0.000 0.944 265 T HN 0.984 nan 8.240 nan 0.000 0.442 266 G N 3.208 111.948 108.800 -0.100 0.000 2.596 266 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.304 266 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.304 266 G C 0.191 174.850 174.900 -0.401 0.000 1.189 266 G CA 0.546 45.492 45.100 -0.256 0.000 0.986 266 G HN 0.689 nan 8.290 nan 0.000 0.548 267 F N 2.427 122.445 119.950 0.114 0.000 2.791 267 F HA 0.430 4.957 4.527 -0.000 0.000 0.308 267 F C 1.089 176.896 175.800 0.012 0.000 1.138 267 F CA -0.223 57.806 58.000 0.050 0.000 1.294 267 F CB 0.803 39.855 39.000 0.086 0.000 0.975 267 F HN 0.216 nan 8.300 nan 0.000 0.512 268 Q N 0.322 120.201 119.800 0.130 0.000 2.266 268 Q HA 0.592 4.932 4.340 -0.000 0.000 0.261 268 Q C 0.111 176.097 176.000 -0.024 0.000 0.985 268 Q CA -0.867 54.950 55.803 0.024 0.000 0.873 268 Q CB 2.413 31.113 28.738 -0.065 0.000 1.306 268 Q HN 0.311 nan 8.270 nan 0.000 0.447 269 G N 1.046 109.811 108.800 -0.058 0.000 2.371 269 G HA2 0.469 4.429 3.960 -0.000 0.000 0.326 269 G HA3 0.469 4.429 3.960 -0.000 0.000 0.326 269 G C -0.990 173.745 174.900 -0.275 0.000 1.127 269 G CA -0.237 44.841 45.100 -0.037 0.000 0.885 269 G HN 0.533 nan 8.290 nan 0.000 0.477 270 H N 0.878 119.855 119.070 -0.156 0.000 2.609 270 H HA 0.456 5.012 4.556 -0.000 0.000 0.344 270 H C -1.101 174.218 175.328 -0.015 0.000 1.040 270 H CA -0.247 55.718 56.048 -0.138 0.000 1.216 270 H CB 2.156 31.835 29.762 -0.138 0.000 1.529 270 H HN 0.725 nan 8.280 nan 0.000 0.519 271 Y N -1.072 119.261 120.300 0.055 0.000 2.713 271 Y HA 0.456 5.006 4.550 -0.000 0.000 0.335 271 Y C -1.208 174.731 175.900 0.065 0.000 1.222 271 Y CA -1.094 57.060 58.100 0.091 0.000 1.061 271 Y CB 0.878 39.462 38.460 0.206 0.000 1.314 271 Y HN 0.308 nan 8.280 nan 0.000 0.453 272 T N 1.857 116.553 114.554 0.237 0.000 2.823 272 T HA 0.635 4.985 4.350 -0.000 0.000 0.279 272 T C -1.121 173.700 174.700 0.201 0.000 0.998 272 T CA -0.694 61.482 62.100 0.128 0.000 0.994 272 T CB 1.613 70.534 68.868 0.088 0.000 0.960 272 T HN 0.581 nan 8.240 nan 0.000 0.448 273 V N 4.662 124.665 119.914 0.147 0.000 2.398 273 V HA 0.412 4.532 4.120 -0.000 0.000 0.286 273 V C -0.299 175.854 176.094 0.098 0.000 1.026 273 V CA -0.948 61.446 62.300 0.156 0.000 0.868 273 V CB 1.329 33.273 31.823 0.202 0.000 0.982 273 V HN 0.715 nan 8.190 nan 0.000 0.443 274 I N 3.981 124.591 120.570 0.067 0.000 2.297 274 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 274 I C 0.488 176.567 176.117 -0.064 0.000 1.033 274 I CA -0.118 61.187 61.300 0.009 0.000 1.253 274 I CB 0.668 38.669 38.000 0.001 0.000 1.396 274 I HN 0.565 nan 8.210 nan 0.000 0.476 275 C N 8.281 127.510 119.300 -0.118 0.000 2.580 275 C HA 0.184 4.644 4.460 -0.000 0.000 0.371 275 C C -0.345 174.417 174.990 -0.380 0.000 1.308 275 C CA -0.558 58.226 59.018 -0.390 0.000 2.428 275 C CB 0.359 27.978 27.740 -0.202 0.000 2.529 275 C HN 0.579 nan 8.230 nan 0.000 0.657 276 P HA -0.119 nan 4.420 nan 0.000 0.217 276 P C 0.819 178.028 177.300 -0.151 0.000 1.148 276 P CA 1.454 64.380 63.100 -0.290 0.000 0.828 276 P CB -0.156 31.384 31.700 -0.267 0.000 0.783 277 N N -1.256 117.367 118.700 -0.129 0.000 2.313 277 N HA -0.004 4.736 4.740 -0.000 0.000 0.207 277 N C -0.112 175.365 175.510 -0.056 0.000 1.141 277 N CA -0.039 52.971 53.050 -0.068 0.000 0.830 277 N CB -1.521 36.940 38.487 -0.043 0.000 1.008 277 N HN 0.113 nan 8.380 nan 0.000 0.481 278 N N -0.720 117.937 118.700 -0.072 0.000 2.909 278 N HA -0.229 4.510 4.740 -0.000 0.000 0.242 278 N C -0.919 174.571 175.510 -0.033 0.000 0.975 278 N CA 0.843 53.865 53.050 -0.047 0.000 0.921 278 N CB -1.009 37.460 38.487 -0.030 0.000 1.112 278 N HN 0.638 nan 8.380 nan 0.000 0.581 279 E N 1.728 121.906 120.200 -0.037 0.000 2.417 279 E HA 0.014 4.364 4.350 -0.000 0.000 0.261 279 E C -0.371 176.226 176.600 -0.004 0.000 1.000 279 E CA 0.002 56.393 56.400 -0.015 0.000 0.919 279 E CB 0.552 30.248 29.700 -0.006 0.000 0.955 279 E HN 0.141 nan 8.360 nan 0.000 0.455 280 R N 4.790 125.292 120.500 0.003 0.000 2.312 280 R HA 0.436 4.775 4.340 -0.000 0.000 0.311 280 R C -0.360 175.948 176.300 0.013 0.000 1.004 280 R CA -0.467 55.640 56.100 0.013 0.000 0.902 280 R CB 0.938 31.244 30.300 0.011 0.000 1.073 280 R HN 0.523 nan 8.270 nan 0.000 0.457 281 I N 2.640 123.223 120.570 0.021 0.000 2.410 281 I HA 0.209 4.378 4.170 -0.000 0.000 0.286 281 I C -0.572 175.529 176.117 -0.026 0.000 1.009 281 I CA -0.718 60.583 61.300 0.002 0.000 1.111 281 I CB 1.937 39.947 38.000 0.016 0.000 1.262 281 I HN 0.534 nan 8.210 nan 0.000 0.443 282 N N 5.631 124.302 118.700 -0.048 0.000 2.406 282 N HA 0.349 5.089 4.740 -0.000 0.000 0.251 282 N C -0.909 174.508 175.510 -0.155 0.000 1.069 282 N CA -0.421 52.581 53.050 -0.081 0.000 0.947 282 N CB 1.572 40.032 38.487 -0.045 0.000 1.111 282 N HN 0.216 nan 8.380 nan 0.000 0.497 283 V N 3.041 122.766 119.914 -0.315 0.000 2.435 283 V HA 0.295 4.415 4.120 -0.000 0.000 0.290 283 V C -0.224 175.591 176.094 -0.466 0.000 1.030 283 V CA -0.835 61.188 62.300 -0.462 0.000 0.881 283 V CB 1.399 32.740 31.823 -0.804 0.000 0.983 283 V HN 0.461 nan 8.190 nan 0.000 0.445 284 L N 6.368 127.413 121.223 -0.296 0.000 2.272 284 L HA 0.650 4.990 4.340 -0.000 0.000 0.289 284 L C -0.824 175.911 176.870 -0.226 0.000 1.032 284 L CA -0.137 54.528 54.840 -0.291 0.000 0.810 284 L CB 1.213 43.164 42.059 -0.181 0.000 1.205 284 L HN 0.620 nan 8.230 nan 0.000 0.422 285 L N 4.899 126.005 121.223 -0.194 0.000 2.305 285 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 285 L C 0.442 177.317 176.870 0.008 0.000 1.013 285 L CA 0.015 54.846 54.840 -0.014 0.000 0.819 285 L CB 1.357 43.523 42.059 0.178 0.000 1.227 285 L HN 0.739 nan 8.230 nan 0.000 0.417 286 N N 2.942 121.685 118.700 0.072 0.000 2.421 286 N HA 0.101 4.841 4.740 -0.000 0.000 0.201 286 N C -0.752 174.826 175.510 0.113 0.000 1.198 286 N CA 0.411 53.508 53.050 0.078 0.000 0.838 286 N CB -0.037 38.502 38.487 0.086 0.000 1.011 286 N HN 0.418 nan 8.380 nan 0.000 0.463 287 V N -3.125 116.866 119.914 0.129 0.000 3.007 287 V HA 0.765 4.885 4.120 -0.000 0.000 0.311 287 V C -2.774 173.343 176.094 0.038 0.000 1.120 287 V CA -2.260 60.098 62.300 0.096 0.000 0.980 287 V CB 2.188 34.110 31.823 0.165 0.000 1.033 287 V HN -0.145 nan 8.190 nan 0.000 0.429 288 P HA 0.656 nan 4.420 nan 0.000 0.281 288 P C 0.154 177.352 177.300 -0.170 0.000 1.264 288 P CA 0.584 63.645 63.100 -0.065 0.000 0.824 288 P CB 1.539 33.127 31.700 -0.186 0.000 1.092 289 G N 0.854 109.651 108.800 -0.005 0.000 2.785 289 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 289 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 289 G C 0.518 175.221 174.900 -0.329 0.000 1.155 289 G CA -0.372 44.641 45.100 -0.146 0.000 0.760 289 G HN 0.483 nan 8.290 nan 0.000 0.624 290 K N 0.468 120.622 120.400 -0.411 0.000 2.147 290 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 290 K C 2.266 178.753 176.600 -0.189 0.000 1.049 290 K CA 1.774 57.739 56.287 -0.537 0.000 0.936 290 K CB -0.191 32.006 32.500 -0.506 0.000 0.722 290 K HN 0.843 nan 8.250 nan 0.000 0.446 291 H N 0.264 119.273 119.070 -0.100 0.000 2.387 291 H HA -0.006 4.550 4.556 -0.000 0.000 0.299 291 H C 1.369 176.694 175.328 -0.005 0.000 1.090 291 H CA 0.965 56.997 56.048 -0.028 0.000 1.332 291 H CB -0.298 29.447 29.762 -0.028 0.000 1.386 291 H HN 0.135 nan 8.280 nan 0.000 0.516 292 N N 1.355 119.757 118.700 -0.497 0.000 2.270 292 N HA 0.004 4.744 4.740 -0.000 0.000 0.181 292 N C 2.179 177.610 175.510 -0.131 0.000 1.016 292 N CA 1.227 54.135 53.050 -0.236 0.000 0.870 292 N CB -0.247 38.095 38.487 -0.242 0.000 0.979 292 N HN 0.511 nan 8.380 nan 0.000 0.431 293 A N 1.367 124.077 122.820 -0.182 0.000 1.933 293 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 293 A C 2.366 179.778 177.584 -0.286 0.000 1.175 293 A CA 0.886 52.724 52.037 -0.331 0.000 0.628 293 A CB -0.670 17.946 19.000 -0.640 0.000 0.814 293 A HN 0.188 nan 8.150 nan 0.000 0.444 294 L N -0.319 120.829 121.223 -0.125 0.000 1.994 294 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 294 L C 2.409 179.288 176.870 0.016 0.000 1.071 294 L CA 1.438 56.313 54.840 0.059 0.000 0.745 294 L CB -0.739 41.439 42.059 0.199 0.000 0.892 294 L HN 0.364 nan 8.230 nan 0.000 0.431 295 N N 0.457 119.150 118.700 -0.012 0.000 2.104 295 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 295 N C 1.778 177.163 175.510 -0.208 0.000 1.024 295 N CA 1.708 54.706 53.050 -0.085 0.000 0.853 295 N CB -0.436 38.031 38.487 -0.033 0.000 1.008 295 N HN 0.344 nan 8.380 nan 0.000 0.424 296 A N -0.120 122.597 122.820 -0.170 0.000 2.067 296 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 296 A C 2.179 179.658 177.584 -0.175 0.000 1.158 296 A CA 1.498 53.434 52.037 -0.168 0.000 0.661 296 A CB -0.553 18.423 19.000 -0.040 0.000 0.801 296 A HN 0.307 nan 8.150 nan 0.000 0.452 297 T N -0.362 114.057 114.554 -0.225 0.000 3.009 297 T HA 0.205 4.555 4.350 -0.000 0.000 0.258 297 T C 2.251 176.584 174.700 -0.611 0.000 1.063 297 T CA 0.851 62.794 62.100 -0.261 0.000 1.139 297 T CB -0.216 68.587 68.868 -0.108 0.000 0.890 297 T HN 0.539 nan 8.240 nan 0.000 0.471 298 A N 1.951 124.119 122.820 -1.088 0.000 1.892 298 A HA 0.016 4.335 4.320 -0.000 0.000 0.218 298 A C 2.626 179.894 177.584 -0.527 0.000 1.188 298 A CA 2.057 53.406 52.037 -1.146 0.000 0.631 298 A CB -1.223 17.215 19.000 -0.938 0.000 0.822 298 A HN 0.504 nan 8.150 nan 0.000 0.447 299 A N -0.537 122.053 122.820 -0.383 0.000 1.877 299 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 299 A C 2.261 179.713 177.584 -0.221 0.000 1.186 299 A CA 1.597 53.484 52.037 -0.250 0.000 0.620 299 A CB -0.725 18.129 19.000 -0.243 0.000 0.822 299 A HN 0.736 nan 8.150 nan 0.000 0.443 300 L N -0.639 120.437 121.223 -0.245 0.000 2.042 300 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 300 L C 2.753 179.410 176.870 -0.354 0.000 1.076 300 L CA 1.743 56.452 54.840 -0.219 0.000 0.749 300 L CB -0.363 41.610 42.059 -0.143 0.000 0.893 300 L HN 0.382 nan 8.230 nan 0.000 0.432 301 A N -0.736 121.733 122.820 -0.584 0.000 1.877 301 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 301 A C 2.213 179.523 177.584 -0.457 0.000 1.186 301 A CA 2.010 53.454 52.037 -0.989 0.000 0.620 301 A CB -1.083 17.363 19.000 -0.924 0.000 0.822 301 A HN 0.325 nan 8.150 nan 0.000 0.443 302 V N -0.142 119.622 119.914 -0.250 0.000 2.287 302 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 302 V C 3.077 179.181 176.094 0.018 0.000 1.053 302 V CA 2.109 64.373 62.300 -0.060 0.000 1.027 302 V CB -1.270 30.544 31.823 -0.014 0.000 0.646 302 V HN 0.635 nan 8.190 nan 0.000 0.447 303 A N -0.573 122.239 122.820 -0.013 0.000 1.877 303 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 303 A C 2.293 179.823 177.584 -0.089 0.000 1.186 303 A CA 1.646 53.647 52.037 -0.061 0.000 0.620 303 A CB -0.430 18.503 19.000 -0.112 0.000 0.822 303 A HN 0.402 nan 8.150 nan 0.000 0.443 304 K N -0.091 120.262 120.400 -0.078 0.000 2.057 304 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 304 K C 1.729 178.364 176.600 0.058 0.000 1.049 304 K CA 1.211 57.503 56.287 0.007 0.000 0.931 304 K CB -0.356 32.207 32.500 0.105 0.000 0.714 304 K HN 0.472 nan 8.250 nan 0.000 0.440 305 E N 0.902 121.137 120.200 0.059 0.000 2.268 305 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 305 E C 1.416 178.071 176.600 0.092 0.000 0.995 305 E CA 0.726 57.190 56.400 0.106 0.000 0.836 305 E CB 0.125 29.892 29.700 0.110 0.000 0.763 305 E HN 0.403 nan 8.360 nan 0.000 0.491 306 E N -0.653 119.588 120.200 0.070 0.000 2.474 306 E HA 0.101 4.451 4.350 -0.000 0.000 0.194 306 E C 0.818 177.420 176.600 0.002 0.000 1.041 306 E CA 0.464 56.908 56.400 0.073 0.000 0.874 306 E CB 0.699 30.476 29.700 0.127 0.000 0.914 306 E HN 0.293 nan 8.360 nan 0.000 0.498 307 G N 1.999 110.789 108.800 -0.015 0.000 2.141 307 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.231 307 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.231 307 G C 0.284 175.139 174.900 -0.074 0.000 0.984 307 G CA -0.211 44.873 45.100 -0.026 0.000 0.660 307 G HN 0.199 nan 8.290 nan 0.000 0.525 308 I N 1.690 122.178 120.570 -0.137 0.000 2.588 308 I HA 0.408 4.577 4.170 -0.000 0.000 0.283 308 I C 1.365 177.415 176.117 -0.111 0.000 1.119 308 I CA 0.111 61.301 61.300 -0.183 0.000 1.419 308 I CB 1.073 38.880 38.000 -0.322 0.000 1.394 308 I HN 0.370 nan 8.210 nan 0.000 0.562 309 A N 5.402 128.165 122.820 -0.095 0.000 2.483 309 A HA 0.083 4.403 4.320 -0.000 0.000 0.238 309 A C 1.123 178.670 177.584 -0.061 0.000 1.070 309 A CA -0.299 51.701 52.037 -0.062 0.000 0.770 309 A CB 0.108 19.077 19.000 -0.053 0.000 1.008 309 A HN 0.824 nan 8.150 nan 0.000 0.497 310 N N 0.894 119.569 118.700 -0.041 0.000 2.149 310 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 310 N C 1.364 176.847 175.510 -0.046 0.000 1.019 310 N CA 1.981 55.009 53.050 -0.038 0.000 0.857 310 N CB -0.318 38.155 38.487 -0.024 0.000 0.997 310 N HN 0.781 nan 8.380 nan 0.000 0.426 311 E N 0.780 120.955 120.200 -0.042 0.000 2.058 311 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 311 E C 1.988 178.560 176.600 -0.046 0.000 0.997 311 E CA 1.400 57.776 56.400 -0.040 0.000 0.801 311 E CB -0.451 29.230 29.700 -0.033 0.000 0.746 311 E HN 0.385 nan 8.360 nan 0.000 0.450 312 A N 0.572 123.357 122.820 -0.057 0.000 1.908 312 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 312 A C 2.272 179.815 177.584 -0.070 0.000 1.181 312 A CA 1.451 53.449 52.037 -0.065 0.000 0.627 312 A CB -0.750 18.195 19.000 -0.091 0.000 0.818 312 A HN 0.208 nan 8.150 nan 0.000 0.445 313 I N -0.430 120.091 120.570 -0.081 0.000 2.142 313 I HA -0.276 3.893 4.170 -0.000 0.000 0.240 313 I C 2.427 178.501 176.117 -0.072 0.000 1.078 313 I CA 1.316 62.566 61.300 -0.083 0.000 1.343 313 I CB -0.428 37.521 38.000 -0.085 0.000 1.046 313 I HN 0.281 nan 8.210 nan 0.000 0.405 314 L N 0.247 121.432 121.223 -0.065 0.000 2.046 314 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 314 L C 2.514 179.354 176.870 -0.049 0.000 1.077 314 L CA 1.507 56.308 54.840 -0.065 0.000 0.747 314 L CB -0.597 41.425 42.059 -0.061 0.000 0.896 314 L HN 0.251 nan 8.230 nan 0.000 0.432 315 E N 0.041 120.218 120.200 -0.038 0.000 2.077 315 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 315 E C 2.303 178.899 176.600 -0.005 0.000 0.989 315 E CA 1.230 57.618 56.400 -0.021 0.000 0.800 315 E CB -0.180 29.508 29.700 -0.019 0.000 0.746 315 E HN 0.494 nan 8.360 nan 0.000 0.452 316 A N 0.750 123.563 122.820 -0.011 0.000 1.930 316 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 316 A C 2.136 179.747 177.584 0.045 0.000 1.175 316 A CA 0.968 53.015 52.037 0.017 0.000 0.627 316 A CB -0.467 18.526 19.000 -0.013 0.000 0.815 316 A HN 0.131 nan 8.150 nan 0.000 0.443 317 L N -0.987 120.228 121.223 -0.015 0.000 2.109 317 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 317 L C 3.039 179.931 176.870 0.037 0.000 1.086 317 L CA 0.866 55.698 54.840 -0.014 0.000 0.760 317 L CB -0.558 41.454 42.059 -0.077 0.000 0.910 317 L HN 0.416 nan 8.230 nan 0.000 0.437 318 A N -0.416 122.404 122.820 -0.001 0.000 1.972 318 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 318 A C 1.638 179.238 177.584 0.027 0.000 1.169 318 A CA 2.182 54.213 52.037 -0.010 0.000 0.635 318 A CB -0.370 18.615 19.000 -0.026 0.000 0.810 318 A HN 0.424 nan 8.150 nan 0.000 0.446 319 D N -2.413 118.021 120.400 0.057 0.000 2.571 319 D HA 0.193 4.833 4.640 -0.000 0.000 0.239 319 D C -0.170 176.188 176.300 0.095 0.000 1.267 319 D CA -0.682 53.352 54.000 0.056 0.000 0.823 319 D CB -0.361 40.458 40.800 0.031 0.000 1.056 319 D HN 0.279 nan 8.370 nan 0.000 0.494 320 F N 1.322 121.257 119.950 -0.024 0.000 2.602 320 F HA 0.038 4.565 4.527 -0.000 0.000 0.385 320 F C 1.202 176.997 175.800 -0.009 0.000 1.063 320 F CA 0.312 58.298 58.000 -0.023 0.000 1.233 320 F CB 0.962 39.947 39.000 -0.026 0.000 1.067 320 F HN -0.026 nan 8.300 nan 0.000 0.564 321 Q N 4.916 124.322 119.800 -0.656 0.000 2.319 321 Q HA 0.250 4.590 4.340 -0.000 0.000 0.202 321 Q C 0.913 176.506 176.000 -0.678 0.000 0.896 321 Q CA 0.624 56.134 55.803 -0.489 0.000 0.942 321 Q CB 0.287 28.861 28.738 -0.273 0.000 1.083 321 Q HN 1.010 nan 8.270 nan 0.000 0.510 322 G N 0.710 108.613 108.800 -1.495 0.000 2.712 322 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.683 322 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.683 322 G C -0.796 173.823 174.900 -0.468 0.000 1.320 322 G CA -0.526 44.040 45.100 -0.891 0.000 0.847 322 G HN 0.410 nan 8.290 nan 0.000 0.553 323 A N -0.200 122.551 122.820 -0.115 0.000 2.303 323 A HA 0.909 5.229 4.320 -0.000 0.000 0.317 323 A C 1.140 178.690 177.584 -0.058 0.000 1.149 323 A CA 0.784 52.792 52.037 -0.047 0.000 0.822 323 A CB 0.889 19.900 19.000 0.019 0.000 1.131 323 A HN 2.498 nan 8.150 nan 0.000 0.493 324 G N 0.084 108.848 108.800 -0.060 0.000 2.321 324 G HA2 0.359 4.319 3.960 -0.000 0.000 0.237 324 G HA3 0.359 4.319 3.960 -0.000 0.000 0.237 324 G C 0.616 175.493 174.900 -0.038 0.000 1.282 324 G CA 0.261 45.332 45.100 -0.049 0.000 0.886 324 G HN 1.070 nan 8.290 nan 0.000 0.528 325 R N -0.649 119.846 120.500 -0.009 0.000 3.994 325 R HA -0.169 4.171 4.340 -0.000 0.000 0.403 325 R C 0.060 176.411 176.300 0.085 0.000 1.126 325 R CA 1.218 57.340 56.100 0.037 0.000 1.143 325 R CB -1.031 29.324 30.300 0.092 0.000 1.695 325 R HN 0.468 nan 8.270 nan 0.000 0.555 326 R N 0.543 121.087 120.500 0.073 0.000 2.272 326 R HA 0.252 4.592 4.340 -0.000 0.000 0.323 326 R C -0.417 176.003 176.300 0.200 0.000 1.002 326 R CA -0.596 55.594 56.100 0.149 0.000 0.900 326 R CB 0.218 30.603 30.300 0.140 0.000 1.151 326 R HN 0.180 nan 8.270 nan 0.000 0.507 327 F N 1.459 121.425 119.950 0.028 0.000 2.694 327 F HA -0.315 4.211 4.527 -0.000 0.000 0.215 327 F C -0.376 175.374 175.800 -0.084 0.000 1.032 327 F CA 0.796 58.770 58.000 -0.044 0.000 0.871 327 F CB -0.434 38.544 39.000 -0.038 0.000 0.776 327 F HN 0.471 nan 8.300 nan 0.000 0.850 328 D N 2.971 123.328 120.400 -0.071 0.000 2.427 328 D HA 0.252 4.892 4.640 -0.000 0.000 0.226 328 D C -0.247 175.990 176.300 -0.106 0.000 1.076 328 D CA -0.254 53.717 54.000 -0.049 0.000 0.849 328 D CB 0.743 41.524 40.800 -0.033 0.000 1.052 328 D HN 0.383 nan 8.370 nan 0.000 0.515 329 Q N 2.980 122.734 119.800 -0.076 0.000 2.286 329 Q HA 0.188 4.528 4.340 -0.000 0.000 0.267 329 Q C 1.052 177.042 176.000 -0.017 0.000 1.028 329 Q CA 0.193 55.952 55.803 -0.073 0.000 0.901 329 Q CB 1.494 30.219 28.738 -0.021 0.000 1.183 329 Q HN 0.548 nan 8.270 nan 0.000 0.392 330 L N 1.479 122.714 121.223 0.019 0.000 2.416 330 L HA 0.336 4.676 4.340 -0.000 0.000 0.216 330 L C 0.904 177.851 176.870 0.130 0.000 1.098 330 L CA 0.385 55.282 54.840 0.096 0.000 0.840 330 L CB 0.056 42.197 42.059 0.137 0.000 0.981 330 L HN 0.860 nan 8.230 nan 0.000 0.462 331 G N 0.046 108.882 108.800 0.060 0.000 2.361 331 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.331 331 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.331 331 G C -1.428 173.315 174.900 -0.261 0.000 1.324 331 G CA -0.872 44.123 45.100 -0.175 0.000 0.984 331 G HN -0.023 nan 8.290 nan 0.000 0.586 332 E N -0.560 119.380 120.200 -0.433 0.000 2.179 332 E HA 0.636 4.986 4.350 -0.000 0.000 0.275 332 E C -1.325 174.960 176.600 -0.524 0.000 0.945 332 E CA -0.422 55.829 56.400 -0.247 0.000 0.792 332 E CB 1.902 31.575 29.700 -0.045 0.000 1.125 332 E HN 0.274 nan 8.360 nan 0.000 0.397 333 F N 1.672 121.680 119.950 0.097 0.000 2.547 333 F HA 0.412 4.939 4.527 -0.000 0.000 0.316 333 F C 0.034 175.783 175.800 -0.085 0.000 1.121 333 F CA -0.840 57.182 58.000 0.037 0.000 0.911 333 F CB 1.176 40.256 39.000 0.133 0.000 1.179 333 F HN 0.271 nan 8.300 nan 0.000 0.443 334 I N 5.040 125.645 120.570 0.057 0.000 2.322 334 I HA 0.310 4.479 4.170 -0.000 0.000 0.292 334 I C -0.096 175.932 176.117 -0.149 0.000 1.060 334 I CA -0.387 60.893 61.300 -0.034 0.000 1.309 334 I CB 0.101 38.090 38.000 -0.017 0.000 1.415 334 I HN 0.389 nan 8.210 nan 0.000 0.492 335 R N 7.081 127.448 120.500 -0.222 0.000 2.668 335 R HA 0.390 4.730 4.340 -0.000 0.000 0.279 335 R C -1.720 174.481 176.300 -0.165 0.000 0.976 335 R CA -2.672 53.237 56.100 -0.319 0.000 0.978 335 R CB 0.311 30.332 30.300 -0.464 0.000 1.133 335 R HN 0.184 nan 8.270 nan 0.000 0.484 336 P HA -0.117 nan 4.420 nan 0.000 0.217 336 P C 0.313 177.580 177.300 -0.055 0.000 1.148 336 P CA 1.316 64.371 63.100 -0.076 0.000 0.834 336 P CB 0.355 32.018 31.700 -0.061 0.000 0.783 337 N N -1.278 117.386 118.700 -0.061 0.000 2.280 337 N HA 0.236 4.976 4.740 -0.000 0.000 0.192 337 N C 0.767 176.261 175.510 -0.025 0.000 1.109 337 N CA 0.674 53.704 53.050 -0.033 0.000 0.855 337 N CB 0.658 39.132 38.487 -0.020 0.000 0.974 337 N HN 0.125 nan 8.380 nan 0.000 0.482 338 G N -0.067 108.708 108.800 -0.041 0.000 2.345 338 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.310 338 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.310 338 G C -1.507 173.381 174.900 -0.019 0.000 1.476 338 G CA -1.015 44.075 45.100 -0.017 0.000 0.978 338 G HN 0.055 nan 8.290 nan 0.000 0.656 339 K N -0.007 120.402 120.400 0.015 0.000 2.297 339 K HA 0.600 4.920 4.320 -0.000 0.000 0.286 339 K C 0.477 177.142 176.600 0.109 0.000 1.053 339 K CA -0.439 55.873 56.287 0.042 0.000 0.940 339 K CB 0.911 33.437 32.500 0.043 0.000 1.019 339 K HN 1.131 nan 8.250 nan 0.000 0.475 340 V N 1.250 121.248 119.914 0.140 0.000 2.960 340 V HA 0.628 4.748 4.120 -0.000 0.000 0.315 340 V C -0.913 175.354 176.094 0.288 0.000 1.087 340 V CA -1.209 61.226 62.300 0.225 0.000 0.982 340 V CB 1.757 33.692 31.823 0.188 0.000 1.039 340 V HN 0.858 nan 8.190 nan 0.000 0.437 341 R N 2.074 122.742 120.500 0.280 0.000 2.445 341 R HA 0.722 5.062 4.340 -0.000 0.000 0.308 341 R C -1.641 174.738 176.300 0.130 0.000 0.961 341 R CA -0.771 55.449 56.100 0.200 0.000 0.862 341 R CB 1.681 32.060 30.300 0.133 0.000 1.144 341 R HN 0.831 nan 8.270 nan 0.000 0.447 342 L N 5.446 126.800 121.223 0.219 0.000 2.296 342 L HA 0.475 4.815 4.340 -0.000 0.000 0.286 342 L C -1.436 175.420 176.870 -0.024 0.000 1.023 342 L CA -0.418 54.504 54.840 0.137 0.000 0.812 342 L CB 1.876 44.102 42.059 0.277 0.000 1.223 342 L HN 0.394 nan 8.230 nan 0.000 0.421 343 V N 4.046 123.857 119.914 -0.172 0.000 2.588 343 V HA 0.453 4.572 4.120 -0.000 0.000 0.304 343 V C -0.838 175.099 176.094 -0.262 0.000 1.042 343 V CA -0.850 61.263 62.300 -0.312 0.000 0.877 343 V CB 1.898 33.327 31.823 -0.658 0.000 0.996 343 V HN 0.614 nan 8.190 nan 0.000 0.425 344 D N 2.805 123.086 120.400 -0.199 0.000 2.264 344 D HA 0.520 5.160 4.640 -0.000 0.000 0.250 344 D C -0.740 175.485 176.300 -0.125 0.000 1.113 344 D CA 0.182 54.105 54.000 -0.128 0.000 0.871 344 D CB 1.934 42.695 40.800 -0.066 0.000 1.167 344 D HN 0.722 nan 8.370 nan 0.000 0.447 345 D N 0.638 121.001 120.400 -0.063 0.000 2.879 345 D HA 0.107 4.747 4.640 -0.000 0.000 0.236 345 D C -0.282 176.093 176.300 0.125 0.000 1.171 345 D CA -0.586 53.435 54.000 0.036 0.000 0.868 345 D CB 1.014 41.823 40.800 0.015 0.000 1.598 345 D HN 0.275 nan 8.370 nan 0.000 0.497 346 Y N 2.443 122.779 120.300 0.060 0.000 2.544 346 Y HA 0.262 4.812 4.550 -0.000 0.000 0.286 346 Y C 1.296 177.327 175.900 0.219 0.000 1.141 346 Y CA 0.383 58.544 58.100 0.101 0.000 1.299 346 Y CB 0.315 38.837 38.460 0.103 0.000 1.030 346 Y HN 0.532 nan 8.280 nan 0.000 0.543 347 G N 0.922 109.853 108.800 0.219 0.000 2.178 347 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.244 347 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.244 347 G C 0.293 175.299 174.900 0.177 0.000 1.213 347 G CA 0.570 45.745 45.100 0.124 0.000 0.912 347 G HN 0.752 nan 8.290 nan 0.000 0.474 348 H N 0.952 120.105 119.070 0.137 0.000 3.540 348 H HA 0.167 4.723 4.556 -0.000 0.000 0.259 348 H C -0.181 175.381 175.328 0.391 0.000 1.197 348 H CA -0.358 55.815 56.048 0.208 0.000 1.136 348 H CB 0.278 29.991 29.762 -0.082 0.000 1.605 348 H HN 0.600 nan 8.280 nan 0.000 0.657 349 H N 2.175 121.196 119.070 -0.081 0.000 2.529 349 H HA 0.235 4.791 4.556 -0.000 0.000 0.348 349 H C -2.128 173.032 175.328 -0.279 0.000 1.152 349 H CA -1.853 54.126 56.048 -0.114 0.000 1.202 349 H CB 2.975 32.673 29.762 -0.105 0.000 1.562 349 H HN -0.142 nan 8.280 nan 0.000 0.515 350 P HA -0.142 nan 4.420 nan 0.000 0.216 350 P C 1.300 178.436 177.300 -0.274 0.000 1.150 350 P CA 1.774 64.496 63.100 -0.631 0.000 0.843 350 P CB 0.213 31.388 31.700 -0.874 0.000 0.787 351 T N -0.504 114.011 114.554 -0.066 0.000 2.746 351 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 351 T C 1.591 176.098 174.700 -0.321 0.000 1.039 351 T CA 1.439 63.421 62.100 -0.197 0.000 1.142 351 T CB -0.636 68.053 68.868 -0.300 0.000 0.866 351 T HN 0.361 nan 8.240 nan 0.000 0.444 352 E N 0.416 120.415 120.200 -0.335 0.000 2.047 352 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 352 E C 2.386 178.873 176.600 -0.190 0.000 0.987 352 E CA 0.881 57.098 56.400 -0.306 0.000 0.799 352 E CB -0.236 29.329 29.700 -0.225 0.000 0.752 352 E HN 0.242 nan 8.360 nan 0.000 0.449 353 V N 1.154 120.991 119.914 -0.128 0.000 2.332 353 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 353 V C 2.349 178.368 176.094 -0.124 0.000 1.055 353 V CA 2.024 64.264 62.300 -0.100 0.000 1.038 353 V CB -1.083 30.656 31.823 -0.140 0.000 0.651 353 V HN 0.424 nan 8.190 nan 0.000 0.450 354 G N 0.605 109.308 108.800 -0.162 0.000 2.421 354 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 354 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 354 G C 1.743 176.568 174.900 -0.125 0.000 1.171 354 G CA 1.550 46.566 45.100 -0.140 0.000 0.775 354 G HN 0.597 nan 8.290 nan 0.000 0.543 355 V N -1.547 118.245 119.914 -0.203 0.000 2.626 355 V HA -0.073 4.047 4.120 -0.000 0.000 0.252 355 V C 2.556 178.562 176.094 -0.146 0.000 1.067 355 V CA 2.517 64.674 62.300 -0.238 0.000 1.081 355 V CB -1.121 30.393 31.823 -0.516 0.000 0.686 355 V HN 0.239 nan 8.190 nan 0.000 0.468 356 T N 0.990 115.475 114.554 -0.115 0.000 2.770 356 T HA 0.074 4.424 4.350 -0.000 0.000 0.263 356 T C 1.856 176.665 174.700 0.182 0.000 1.039 356 T CA 2.029 64.197 62.100 0.114 0.000 1.142 356 T CB -0.343 68.592 68.868 0.112 0.000 0.868 356 T HN 0.462 nan 8.240 nan 0.000 0.435 357 I N 1.042 121.656 120.570 0.074 0.000 2.163 357 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 357 I C 2.547 178.736 176.117 0.120 0.000 1.085 357 I CA 1.265 62.612 61.300 0.079 0.000 1.347 357 I CB -0.257 37.751 38.000 0.013 0.000 1.044 357 I HN 0.131 nan 8.210 nan 0.000 0.408 358 K N 1.630 122.082 120.400 0.086 0.000 2.026 358 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 358 K C 2.041 178.736 176.600 0.159 0.000 1.048 358 K CA 1.868 58.212 56.287 0.095 0.000 0.929 358 K CB -0.507 32.021 32.500 0.045 0.000 0.713 358 K HN 0.264 nan 8.250 nan 0.000 0.439 359 A N 0.580 123.515 122.820 0.192 0.000 1.908 359 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 359 A C 2.389 180.169 177.584 0.327 0.000 1.181 359 A CA 2.140 54.295 52.037 0.198 0.000 0.627 359 A CB -1.118 17.943 19.000 0.102 0.000 0.818 359 A HN 0.462 nan 8.150 nan 0.000 0.445 360 A N -0.273 122.801 122.820 0.423 0.000 1.858 360 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 360 A C 2.236 180.114 177.584 0.490 0.000 1.190 360 A CA 1.469 53.846 52.037 0.567 0.000 0.617 360 A CB -0.518 18.683 19.000 0.335 0.000 0.827 360 A HN 0.432 nan 8.150 nan 0.000 0.443 361 R N -0.186 120.506 120.500 0.319 0.000 2.103 361 R HA -0.129 4.211 4.340 -0.000 0.000 0.242 361 R C 1.666 178.116 176.300 0.250 0.000 1.142 361 R CA 1.441 57.702 56.100 0.269 0.000 0.960 361 R CB -0.641 29.763 30.300 0.173 0.000 0.858 361 R HN 0.530 nan 8.270 nan 0.000 0.439 362 E N -0.566 119.768 120.200 0.223 0.000 2.409 362 E HA -0.052 4.298 4.350 -0.000 0.000 0.198 362 E C 1.568 178.233 176.600 0.108 0.000 1.024 362 E CA 0.940 57.436 56.400 0.159 0.000 0.861 362 E CB -0.011 29.785 29.700 0.161 0.000 0.788 362 E HN 0.496 nan 8.360 nan 0.000 0.521 363 G N -1.664 107.216 108.800 0.133 0.000 3.228 363 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.245 363 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.245 363 G C 0.748 175.661 174.900 0.021 0.000 1.051 363 G CA -0.413 44.555 45.100 -0.220 0.000 0.809 363 G HN 0.201 nan 8.290 nan 0.000 0.531 364 W N 1.296 122.590 121.300 -0.010 0.000 2.862 364 W HA 0.293 4.953 4.660 -0.000 0.000 0.376 364 W C 1.297 177.840 176.519 0.041 0.000 1.028 364 W CA 0.070 57.457 57.345 0.070 0.000 1.757 364 W CB 0.759 30.343 29.460 0.206 0.000 1.128 364 W HN 0.329 nan 8.180 nan 0.000 0.566 365 G N 2.336 111.154 108.800 0.031 0.000 2.622 365 G HA2 -0.441 3.518 3.960 -0.000 0.000 0.307 365 G HA3 -0.441 3.518 3.960 -0.000 0.000 0.307 365 G C 0.322 175.220 174.900 -0.003 0.000 1.226 365 G CA 1.275 46.349 45.100 -0.042 0.000 0.997 365 G HN 0.228 nan 8.290 nan 0.000 0.551 366 D N 1.092 121.461 120.400 -0.052 0.000 2.342 366 D HA 0.331 4.971 4.640 -0.000 0.000 0.221 366 D C 1.069 177.373 176.300 0.006 0.000 1.101 366 D CA 0.253 54.247 54.000 -0.010 0.000 0.837 366 D CB 0.027 40.814 40.800 -0.023 0.000 0.938 366 D HN 0.392 nan 8.370 nan 0.000 0.508 367 K N -0.208 120.182 120.400 -0.017 0.000 2.098 367 K HA 0.410 4.729 4.320 -0.000 0.000 0.244 367 K C 0.350 177.125 176.600 0.291 0.000 1.014 367 K CA -0.522 55.803 56.287 0.065 0.000 0.917 367 K CB 1.092 33.498 32.500 -0.156 0.000 1.072 367 K HN -0.115 nan 8.250 nan 0.000 0.477 368 R N 0.904 121.586 120.500 0.304 0.000 2.490 368 R HA 0.278 4.618 4.340 -0.000 0.000 0.278 368 R C -0.318 176.153 176.300 0.284 0.000 1.069 368 R CA -0.619 55.632 56.100 0.252 0.000 1.080 368 R CB 0.488 30.889 30.300 0.168 0.000 1.030 368 R HN 0.348 nan 8.270 nan 0.000 0.491 369 I N 3.424 124.096 120.570 0.170 0.000 2.330 369 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 369 I C 0.430 176.578 176.117 0.051 0.000 1.001 369 I CA -0.399 60.945 61.300 0.074 0.000 1.193 369 I CB 1.125 39.163 38.000 0.063 0.000 1.345 369 I HN 0.306 nan 8.210 nan 0.000 0.461 373 F N 6.006 125.918 119.950 -0.064 0.000 2.420 373 F HA 0.531 5.058 4.527 -0.000 0.000 0.342 373 F C 0.050 175.797 175.800 -0.089 0.000 1.113 373 F CA -0.127 57.829 58.000 -0.074 0.000 1.059 373 F CB 1.380 40.338 39.000 -0.070 0.000 1.128 373 F HN 0.457 nan 8.300 nan 0.000 0.475 374 Q N 8.584 127.851 119.800 -0.887 0.000 2.381 374 Q HA 0.415 4.755 4.340 -0.000 0.000 0.263 374 Q C -2.659 172.624 176.000 -1.196 0.000 1.030 374 Q CA -2.425 52.915 55.803 -0.772 0.000 0.772 374 Q CB 1.754 30.243 28.738 -0.415 0.000 1.232 374 Q HN 0.339 nan 8.270 nan 0.000 0.476 375 P HA -0.004 nan 4.420 nan 0.000 0.268 375 P C -1.362 175.704 177.300 -0.389 0.000 1.205 375 P CA 0.210 62.865 63.100 -0.743 0.000 0.771 375 P CB 0.428 31.845 31.700 -0.471 0.000 0.858 376 H N 3.403 122.297 119.070 -0.293 0.000 2.551 376 H HA 0.482 5.038 4.556 -0.000 0.000 0.321 376 H C -0.443 174.837 175.328 -0.080 0.000 1.028 376 H CA -0.325 55.640 56.048 -0.138 0.000 1.215 376 H CB 0.277 29.956 29.762 -0.138 0.000 1.414 376 H HN 0.304 nan 8.280 nan 0.000 0.480 377 R N 2.875 123.186 120.500 -0.315 0.000 0.970 377 R HA -0.213 4.127 4.340 -0.000 0.000 0.431 377 R C -0.533 175.646 176.300 -0.201 0.000 1.364 377 R CA 0.419 56.401 56.100 -0.197 0.000 1.167 377 R CB -1.005 29.325 30.300 0.050 0.000 3.395 377 R HN 0.685 nan 8.270 nan 0.000 0.514 378 Y N 0.909 121.196 120.300 -0.021 0.000 2.263 378 Y HA -0.206 4.344 4.550 -0.000 0.000 0.292 378 Y C 2.591 178.525 175.900 0.057 0.000 1.130 378 Y CA 1.616 59.722 58.100 0.009 0.000 1.179 378 Y CB -0.073 38.382 38.460 -0.009 0.000 0.998 378 Y HN 0.774 nan 8.280 nan 0.000 0.532 379 S N 0.494 116.323 115.700 0.215 0.000 2.356 379 S HA -0.277 4.193 4.470 -0.000 0.000 0.223 379 S C 2.107 176.819 174.600 0.187 0.000 1.032 379 S CA 1.378 59.685 58.200 0.179 0.000 1.005 379 S CB -0.601 62.696 63.200 0.161 0.000 0.867 379 S HN 0.461 nan 8.310 nan 0.000 0.449 380 R N 1.062 121.680 120.500 0.196 0.000 2.081 380 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 380 R C 2.231 178.727 176.300 0.327 0.000 1.131 380 R CA 1.875 58.126 56.100 0.250 0.000 0.960 380 R CB -0.920 29.554 30.300 0.291 0.000 0.856 380 R HN 0.519 nan 8.270 nan 0.000 0.436 381 T N 0.796 115.478 114.554 0.215 0.000 2.746 381 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 381 T C 1.741 176.660 174.700 0.366 0.000 1.039 381 T CA 1.471 63.684 62.100 0.187 0.000 1.142 381 T CB -0.257 68.634 68.868 0.038 0.000 0.866 381 T HN 0.333 nan 8.240 nan 0.000 0.444 382 R N 1.014 121.682 120.500 0.280 0.000 2.070 382 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 382 R C 1.764 178.196 176.300 0.220 0.000 1.137 382 R CA 1.950 58.186 56.100 0.227 0.000 0.945 382 R CB -0.360 30.028 30.300 0.148 0.000 0.845 382 R HN 0.253 nan 8.270 nan 0.000 0.430 383 D N 0.355 120.874 120.400 0.199 0.000 2.178 383 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 383 D C 1.189 177.568 176.300 0.131 0.000 0.974 383 D CA 1.112 55.200 54.000 0.147 0.000 0.841 383 D CB 0.159 41.038 40.800 0.132 0.000 0.953 383 D HN 0.306 nan 8.370 nan 0.000 0.478 384 L N -0.348 120.985 121.223 0.183 0.000 3.168 384 L HA 0.220 4.560 4.340 -0.000 0.000 0.277 384 L C 1.187 178.172 176.870 0.192 0.000 1.245 384 L CA -0.415 54.452 54.840 0.046 0.000 1.035 384 L CB 0.193 42.097 42.059 -0.259 0.000 1.399 384 L HN -0.161 nan 8.230 nan 0.000 0.580 385 F N 1.785 121.845 119.950 0.183 0.000 2.043 385 F HA -0.316 4.211 4.527 -0.000 0.000 0.297 385 F C 2.054 177.939 175.800 0.141 0.000 1.118 385 F CA 2.213 60.341 58.000 0.213 0.000 1.202 385 F CB 0.255 39.326 39.000 0.118 0.000 0.965 385 F HN 0.244 nan 8.300 nan 0.000 0.482 386 D N 0.091 120.646 120.400 0.259 0.000 2.144 386 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 386 D C 1.876 178.152 176.300 -0.040 0.000 0.984 386 D CA 1.459 55.529 54.000 0.117 0.000 0.834 386 D CB -0.558 40.314 40.800 0.120 0.000 0.955 386 D HN 0.360 nan 8.370 nan 0.000 0.465 387 D N -0.418 119.918 120.400 -0.106 0.000 2.144 387 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 387 D C 1.911 178.033 176.300 -0.296 0.000 0.978 387 D CA 0.450 54.311 54.000 -0.232 0.000 0.833 387 D CB -0.348 40.242 40.800 -0.349 0.000 0.961 387 D HN 0.184 nan 8.370 nan 0.000 0.470 388 F N 0.734 120.535 119.950 -0.247 0.000 2.102 388 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 388 F C 2.518 178.115 175.800 -0.338 0.000 1.105 388 F CA 0.530 58.339 58.000 -0.319 0.000 1.239 388 F CB -0.823 37.983 39.000 -0.324 0.000 0.991 388 F HN -0.169 nan 8.300 nan 0.000 0.474 389 V N -0.245 119.575 119.914 -0.158 0.000 2.287 389 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 389 V C 2.467 178.491 176.094 -0.117 0.000 1.053 389 V CA 1.824 64.019 62.300 -0.175 0.000 1.027 389 V CB -0.648 31.070 31.823 -0.175 0.000 0.646 389 V HN 0.315 nan 8.190 nan 0.000 0.447 390 Q N -0.773 118.963 119.800 -0.107 0.000 2.050 390 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 390 Q C 2.375 178.309 176.000 -0.110 0.000 0.980 390 Q CA 1.741 57.488 55.803 -0.093 0.000 0.840 390 Q CB -0.911 27.775 28.738 -0.087 0.000 0.898 390 Q HN 0.547 nan 8.270 nan 0.000 0.424 391 V N 0.710 120.536 119.914 -0.148 0.000 2.379 391 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 391 V C 2.181 178.180 176.094 -0.157 0.000 1.044 391 V CA 1.111 63.316 62.300 -0.158 0.000 1.036 391 V CB -0.269 31.430 31.823 -0.206 0.000 0.664 391 V HN 0.264 nan 8.190 nan 0.000 0.453 392 L N 0.757 121.867 121.223 -0.187 0.000 2.201 392 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 392 L C 2.555 179.354 176.870 -0.118 0.000 1.105 392 L CA 1.565 56.284 54.840 -0.201 0.000 0.775 392 L CB -0.606 41.294 42.059 -0.264 0.000 0.913 392 L HN 0.565 nan 8.230 nan 0.000 0.440 393 S N -1.250 114.394 115.700 -0.094 0.000 2.603 393 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 393 S C 1.705 176.280 174.600 -0.042 0.000 0.972 393 S CA 0.344 58.510 58.200 -0.057 0.000 0.935 393 S CB -0.096 63.075 63.200 -0.048 0.000 0.769 393 S HN 0.402 nan 8.310 nan 0.000 0.536 394 Q N 1.279 121.049 119.800 -0.050 0.000 2.389 394 Q HA 0.207 4.547 4.340 -0.000 0.000 0.204 394 Q C 1.266 177.259 176.000 -0.012 0.000 0.944 394 Q CA 0.472 56.257 55.803 -0.030 0.000 0.908 394 Q CB -0.404 28.312 28.738 -0.037 0.000 1.002 394 Q HN 0.756 nan 8.270 nan 0.000 0.493 395 V N -0.842 119.061 119.914 -0.018 0.000 3.133 395 V HA 0.136 4.256 4.120 -0.000 0.000 0.305 395 V C 0.849 176.953 176.094 0.017 0.000 1.084 395 V CA -0.367 61.934 62.300 0.002 0.000 1.089 395 V CB 0.823 32.641 31.823 -0.008 0.000 1.073 395 V HN -0.063 nan 8.190 nan 0.000 0.477 396 D N 1.464 121.885 120.400 0.035 0.000 2.213 396 D HA 0.293 4.932 4.640 -0.000 0.000 0.205 396 D C 0.698 177.021 176.300 0.037 0.000 0.961 396 D CA 1.730 55.755 54.000 0.043 0.000 0.853 396 D CB 0.529 41.368 40.800 0.065 0.000 0.967 396 D HN 0.940 nan 8.370 nan 0.000 0.496 397 A N 0.394 123.236 122.820 0.037 0.000 2.455 397 A HA 0.581 4.901 4.320 -0.000 0.000 0.300 397 A C -1.797 175.805 177.584 0.029 0.000 1.040 397 A CA -0.564 51.493 52.037 0.035 0.000 0.697 397 A CB 1.783 20.810 19.000 0.045 0.000 1.265 397 A HN 0.061 nan 8.150 nan 0.000 0.407 398 L N 2.916 124.155 121.223 0.026 0.000 2.406 398 L HA 0.755 5.095 4.340 -0.000 0.000 0.272 398 L C -1.089 175.802 176.870 0.034 0.000 0.980 398 L CA -0.135 54.722 54.840 0.028 0.000 0.831 398 L CB 1.120 43.187 42.059 0.014 0.000 1.253 398 L HN 0.709 nan 8.230 nan 0.000 0.406 402 D N 0.871 121.224 120.400 -0.077 0.000 2.378 402 D HA 0.179 4.819 4.640 -0.000 0.000 0.238 402 D C -0.106 176.106 176.300 -0.147 0.000 1.180 402 D CA -0.019 53.933 54.000 -0.080 0.000 0.895 402 D CB 1.544 42.319 40.800 -0.041 0.000 1.192 402 D HN 0.103 nan 8.370 nan 0.000 0.438 403 V N 2.253 122.043 119.914 -0.207 0.000 2.644 403 V HA -0.208 3.912 4.120 -0.000 0.000 0.305 403 V C 0.188 176.089 176.094 -0.321 0.000 1.053 403 V CA 0.480 62.551 62.300 -0.381 0.000 1.186 403 V CB -0.322 31.048 31.823 -0.755 0.000 0.895 403 V HN 0.380 nan 8.190 nan 0.000 0.490 404 Y N 5.124 125.175 120.300 -0.415 0.000 2.539 404 Y HA 0.422 4.972 4.550 -0.000 0.000 0.352 404 Y C 1.123 176.750 175.900 -0.455 0.000 1.004 404 Y CA 0.029 57.913 58.100 -0.359 0.000 1.278 404 Y CB 0.882 39.150 38.460 -0.319 0.000 1.136 404 Y HN 0.762 nan 8.280 nan 0.000 0.528 405 A N 5.680 128.107 122.820 -0.655 0.000 1.969 405 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 405 A C 1.743 179.096 177.584 -0.385 0.000 1.169 405 A CA 0.921 52.718 52.037 -0.401 0.000 0.635 405 A CB -1.109 17.821 19.000 -0.116 0.000 0.810 405 A HN 1.724 nan 8.150 nan 0.000 0.445 406 A N -2.598 119.852 122.820 -0.616 0.000 2.704 406 A HA 0.171 4.491 4.320 -0.000 0.000 0.299 406 A C 1.923 179.435 177.584 -0.120 0.000 1.507 406 A CA 1.481 53.344 52.037 -0.290 0.000 0.776 406 A CB -1.977 16.897 19.000 -0.210 0.000 1.027 406 A HN 2.596 nan 8.150 nan 0.000 0.475 407 G N -2.141 106.577 108.800 -0.137 0.000 2.176 407 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.253 407 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.253 407 G C -0.130 174.760 174.900 -0.016 0.000 0.979 407 G CA 0.778 45.846 45.100 -0.052 0.000 0.641 407 G HN 1.180 nan 8.290 nan 0.000 0.530 408 E N 0.582 120.787 120.200 0.008 0.000 2.266 408 E HA 0.599 4.949 4.350 -0.000 0.000 0.277 408 E C 0.715 177.353 176.600 0.064 0.000 1.018 408 E CA -0.097 56.344 56.400 0.069 0.000 0.840 408 E CB 1.328 31.121 29.700 0.155 0.000 1.082 408 E HN 0.590 nan 8.360 nan 0.000 0.395 409 A N 4.103 126.909 122.820 -0.022 0.000 2.445 409 A HA 0.281 4.600 4.320 -0.000 0.000 0.242 409 A C -2.181 175.163 177.584 -0.400 0.000 1.075 409 A CA -1.148 50.806 52.037 -0.137 0.000 0.777 409 A CB -0.269 18.663 19.000 -0.115 0.000 1.013 409 A HN 0.336 nan 8.150 nan 0.000 0.493 410 P HA 0.260 nan 4.420 nan 0.000 0.269 410 P C -0.849 176.008 177.300 -0.738 0.000 1.209 410 P CA 0.418 62.685 63.100 -1.388 0.000 0.776 410 P CB 0.350 31.598 31.700 -0.753 0.000 0.876 411 I N 2.077 122.258 120.570 -0.648 0.000 2.406 411 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 411 I C -0.127 175.925 176.117 -0.107 0.000 0.999 411 I CA -1.243 59.934 61.300 -0.205 0.000 1.124 411 I CB 1.804 39.784 38.000 -0.033 0.000 1.289 411 I HN -0.004 nan 8.210 nan 0.000 0.441 412 V N 6.058 125.918 119.914 -0.090 0.000 2.617 412 V HA 0.127 4.247 4.120 -0.000 0.000 0.304 412 V C 1.353 177.422 176.094 -0.041 0.000 1.040 412 V CA 1.478 63.745 62.300 -0.056 0.000 1.149 412 V CB 0.285 32.074 31.823 -0.057 0.000 0.914 412 V HN 1.179 nan 8.190 nan 0.000 0.487 413 G N 3.940 112.724 108.800 -0.026 0.000 2.205 413 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.261 413 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.261 413 G C 0.504 175.376 174.900 -0.045 0.000 0.980 413 G CA 0.198 45.254 45.100 -0.073 0.000 0.632 413 G HN 1.702 nan 8.290 nan 0.000 0.533 414 A N 0.605 123.479 122.820 0.091 0.000 3.041 414 A HA 0.624 4.944 4.320 -0.000 0.000 0.307 414 A C 0.288 178.057 177.584 0.308 0.000 1.116 414 A CA 0.756 52.931 52.037 0.229 0.000 1.001 414 A CB 0.015 19.144 19.000 0.216 0.000 1.112 414 A HN 0.740 nan 8.150 nan 0.000 0.556 415 D N -2.221 118.338 120.400 0.266 0.000 2.714 415 D HA 0.411 5.051 4.640 -0.000 0.000 0.278 415 D C 0.728 177.108 176.300 0.132 0.000 1.102 415 D CA -0.177 53.944 54.000 0.203 0.000 1.108 415 D CB 0.276 41.214 40.800 0.230 0.000 1.444 415 D HN -0.182 nan 8.370 nan 0.000 0.568 416 S N -1.035 114.701 115.700 0.059 0.000 2.387 416 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 416 S C 1.625 176.261 174.600 0.060 0.000 1.026 416 S CA 1.353 59.570 58.200 0.029 0.000 0.972 416 S CB -0.467 62.724 63.200 -0.014 0.000 0.814 416 S HN 0.670 nan 8.310 nan 0.000 0.477 417 K N 1.427 121.869 120.400 0.069 0.000 2.103 417 K HA -0.003 4.316 4.320 -0.000 0.000 0.207 417 K C 2.027 178.688 176.600 0.103 0.000 1.048 417 K CA 1.780 58.108 56.287 0.069 0.000 0.930 417 K CB -0.468 32.065 32.500 0.056 0.000 0.716 417 K HN 0.085 nan 8.250 nan 0.000 0.444 418 S N 1.407 117.200 115.700 0.154 0.000 2.355 418 S HA -0.008 4.462 4.470 -0.000 0.000 0.222 418 S C 1.926 176.741 174.600 0.360 0.000 1.031 418 S CA 1.148 59.497 58.200 0.248 0.000 0.993 418 S CB -0.343 63.018 63.200 0.269 0.000 0.859 418 S HN 0.218 nan 8.310 nan 0.000 0.453 419 L N 0.764 122.135 121.223 0.247 0.000 2.042 419 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 419 L C 2.613 179.485 176.870 0.005 0.000 1.076 419 L CA 0.970 55.792 54.840 -0.030 0.000 0.749 419 L CB -0.679 41.296 42.059 -0.140 0.000 0.893 419 L HN 0.420 nan 8.230 nan 0.000 0.432 420 C N -0.775 118.551 119.300 0.042 0.000 2.429 420 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 420 C C 3.014 178.031 174.990 0.046 0.000 1.262 420 C CA 0.933 59.971 59.018 0.034 0.000 1.733 420 C CB -0.961 26.802 27.740 0.037 0.000 2.010 420 C HN 0.483 nan 8.230 nan 0.000 0.483 421 R N 0.956 121.502 120.500 0.075 0.000 2.070 421 R HA -0.142 4.198 4.340 -0.000 0.000 0.233 421 R C 2.189 178.539 176.300 0.083 0.000 1.137 421 R CA 2.146 58.292 56.100 0.077 0.000 0.945 421 R CB -0.412 29.942 30.300 0.091 0.000 0.845 421 R HN 0.445 nan 8.270 nan 0.000 0.430 422 S N 0.541 116.318 115.700 0.127 0.000 2.382 422 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 422 S C 1.886 176.515 174.600 0.049 0.000 1.027 422 S CA 1.270 59.547 58.200 0.128 0.000 0.991 422 S CB -0.146 63.207 63.200 0.255 0.000 0.823 422 S HN 0.300 nan 8.310 nan 0.000 0.469 423 I N 1.019 121.595 120.570 0.010 0.000 2.202 423 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 423 I C 2.677 178.797 176.117 0.005 0.000 1.091 423 I CA 1.074 62.367 61.300 -0.013 0.000 1.368 423 I CB -0.284 37.696 38.000 -0.035 0.000 1.058 423 I HN 0.169 nan 8.210 nan 0.000 0.410 424 R N 1.151 121.661 120.500 0.016 0.000 2.103 424 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 424 R C 2.103 178.415 176.300 0.020 0.000 1.142 424 R CA 1.917 58.028 56.100 0.018 0.000 0.960 424 R CB -0.223 30.091 30.300 0.024 0.000 0.858 424 R HN 0.346 nan 8.270 nan 0.000 0.439 425 N N 0.685 119.402 118.700 0.028 0.000 2.258 425 N HA -0.190 4.550 4.740 -0.000 0.000 0.187 425 N C 1.597 177.119 175.510 0.020 0.000 1.012 425 N CA 1.148 54.214 53.050 0.028 0.000 0.870 425 N CB -0.197 38.314 38.487 0.039 0.000 0.977 425 N HN 0.325 nan 8.380 nan 0.000 0.434 426 L N -0.659 120.573 121.223 0.015 0.000 2.376 426 L HA 0.018 4.358 4.340 -0.000 0.000 0.219 426 L C 1.351 178.226 176.870 0.007 0.000 1.133 426 L CA 0.621 55.466 54.840 0.009 0.000 0.816 426 L CB -0.456 41.604 42.059 0.001 0.000 0.933 426 L HN 0.266 nan 8.230 nan 0.000 0.449 427 G N -0.104 108.701 108.800 0.009 0.000 2.143 427 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 427 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 427 G C 0.559 175.464 174.900 0.008 0.000 0.991 427 G CA 0.801 45.907 45.100 0.009 0.000 0.689 427 G HN 0.353 nan 8.290 nan 0.000 0.522 428 K N -0.933 119.471 120.400 0.006 0.000 4.310 428 K HA 0.644 4.964 4.320 -0.000 0.000 0.185 428 K C 1.149 177.754 176.600 0.008 0.000 1.134 428 K CA 0.039 56.329 56.287 0.006 0.000 1.860 428 K CB -0.206 32.294 32.500 0.001 0.000 2.614 428 K HN 0.351 nan 8.250 nan 0.000 0.570 429 V N 2.755 122.672 119.914 0.005 0.000 2.599 429 V HA -0.024 4.096 4.120 -0.000 0.000 0.300 429 V C -0.859 175.241 176.094 0.009 0.000 1.034 429 V CA 0.242 62.547 62.300 0.008 0.000 1.115 429 V CB 0.667 32.493 31.823 0.005 0.000 0.934 429 V HN 0.450 nan 8.190 nan 0.000 0.485 430 D N 8.137 128.545 120.400 0.013 0.000 2.428 430 D HA 0.436 5.076 4.640 -0.000 0.000 0.221 430 D C -2.478 173.832 176.300 0.017 0.000 1.123 430 D CA -1.892 52.117 54.000 0.015 0.000 0.869 430 D CB 1.387 42.197 40.800 0.016 0.000 1.032 430 D HN 0.412 nan 8.370 nan 0.000 0.506 431 P HA 0.270 nan 4.420 nan 0.000 0.271 431 P C -0.377 176.935 177.300 0.022 0.000 1.218 431 P CA -0.228 62.883 63.100 0.019 0.000 0.780 431 P CB 0.828 32.539 31.700 0.017 0.000 0.901 432 I N 2.542 123.126 120.570 0.023 0.000 2.362 432 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 432 I C -0.109 176.019 176.117 0.019 0.000 0.994 432 I CA -1.021 60.291 61.300 0.021 0.000 1.158 432 I CB 1.281 39.294 38.000 0.022 0.000 1.315 432 I HN 0.168 nan 8.210 nan 0.000 0.451 433 L N 8.848 130.081 121.223 0.017 0.000 2.313 433 L HA 0.349 4.689 4.340 -0.000 0.000 0.282 433 L C -0.469 176.405 176.870 0.006 0.000 1.092 433 L CA 0.130 54.978 54.840 0.012 0.000 0.831 433 L CB 0.980 43.048 42.059 0.015 0.000 1.159 433 L HN 0.340 nan 8.230 nan 0.000 0.442 434 V N 5.731 125.644 119.914 -0.002 0.000 2.275 434 V HA 0.258 4.378 4.120 -0.000 0.000 0.272 434 V C 0.940 177.025 176.094 -0.015 0.000 1.028 434 V CA -0.066 62.230 62.300 -0.007 0.000 0.810 434 V CB 0.540 32.357 31.823 -0.011 0.000 1.043 434 V HN 0.979 nan 8.190 nan 0.000 0.453 435 S N 1.982 117.675 115.700 -0.010 0.000 2.446 435 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 435 S C 0.858 175.449 174.600 -0.015 0.000 1.016 435 S CA 0.526 58.719 58.200 -0.012 0.000 0.943 435 S CB 0.005 63.203 63.200 -0.005 0.000 0.786 435 S HN 0.864 nan 8.310 nan 0.000 0.508 436 D N 1.711 122.103 120.400 -0.014 0.000 2.467 436 D HA 0.200 4.840 4.640 -0.000 0.000 0.220 436 D C 1.142 177.429 176.300 -0.022 0.000 1.103 436 D CA -0.140 53.851 54.000 -0.015 0.000 0.886 436 D CB 0.970 41.764 40.800 -0.010 0.000 1.025 436 D HN 0.147 nan 8.370 nan 0.000 0.514 437 T N -0.214 114.322 114.554 -0.031 0.000 3.007 437 T HA -0.180 4.170 4.350 -0.000 0.000 0.270 437 T C 1.822 176.493 174.700 -0.048 0.000 1.107 437 T CA 1.048 63.122 62.100 -0.044 0.000 1.118 437 T CB -0.315 68.521 68.868 -0.055 0.000 0.889 437 T HN 0.284 nan 8.240 nan 0.000 0.506 438 S N 1.479 117.158 115.700 -0.036 0.000 2.469 438 S HA -0.116 4.354 4.470 -0.000 0.000 0.238 438 S C 1.875 176.461 174.600 -0.023 0.000 0.998 438 S CA 0.485 58.666 58.200 -0.032 0.000 0.957 438 S CB -0.534 62.653 63.200 -0.022 0.000 0.764 438 S HN 0.697 nan 8.310 nan 0.000 0.514 439 Q N -0.249 119.540 119.800 -0.017 0.000 2.319 439 Q HA 0.297 4.637 4.340 -0.000 0.000 0.202 439 Q C 1.655 177.655 176.000 -0.001 0.000 0.896 439 Q CA -0.076 55.725 55.803 -0.003 0.000 0.942 439 Q CB -0.069 28.669 28.738 0.001 0.000 1.083 439 Q HN 0.480 nan 8.270 nan 0.000 0.510 440 L N 0.937 122.146 121.223 -0.024 0.000 2.012 440 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 440 L C 2.052 178.924 176.870 0.003 0.000 1.073 440 L CA 2.363 57.186 54.840 -0.029 0.000 0.748 440 L CB -0.928 41.085 42.059 -0.077 0.000 0.891 440 L HN 0.192 nan 8.230 nan 0.000 0.431 441 G N -1.204 107.594 108.800 -0.002 0.000 2.446 441 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 441 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 441 G C 1.320 176.330 174.900 0.183 0.000 1.168 441 G CA 0.900 46.067 45.100 0.112 0.000 0.771 441 G HN 0.459 nan 8.290 nan 0.000 0.551 442 D N 0.134 120.595 120.400 0.103 0.000 2.144 442 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 442 D C 2.786 179.130 176.300 0.072 0.000 0.978 442 D CA 0.683 54.733 54.000 0.083 0.000 0.833 442 D CB -0.202 40.629 40.800 0.052 0.000 0.961 442 D HN 0.208 nan 8.370 nan 0.000 0.470 443 V N 1.407 121.357 119.914 0.061 0.000 2.295 443 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 443 V C 2.712 178.849 176.094 0.071 0.000 1.049 443 V CA 1.031 63.362 62.300 0.052 0.000 1.024 443 V CB -0.413 31.431 31.823 0.035 0.000 0.648 443 V HN 0.182 nan 8.190 nan 0.000 0.447 444 L N -0.244 121.042 121.223 0.105 0.000 2.012 444 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 444 L C 2.451 179.399 176.870 0.129 0.000 1.073 444 L CA 1.799 56.727 54.840 0.146 0.000 0.748 444 L CB -0.674 41.537 42.059 0.253 0.000 0.891 444 L HN 0.360 nan 8.230 nan 0.000 0.431 445 D N -0.480 119.999 120.400 0.131 0.000 2.149 445 D HA -0.224 4.416 4.640 -0.000 0.000 0.198 445 D C 2.272 178.589 176.300 0.029 0.000 0.990 445 D CA 1.153 55.183 54.000 0.050 0.000 0.839 445 D CB -0.067 40.759 40.800 0.042 0.000 0.948 445 D HN 0.425 nan 8.370 nan 0.000 0.460 446 Q N -0.407 119.418 119.800 0.042 0.000 2.167 446 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 446 Q C 2.318 178.336 176.000 0.031 0.000 0.970 446 Q CA 0.841 56.663 55.803 0.031 0.000 0.855 446 Q CB 0.087 28.844 28.738 0.031 0.000 0.911 446 Q HN 0.498 nan 8.270 nan 0.000 0.438 447 I N -3.115 117.480 120.570 0.042 0.000 3.783 447 I HA 0.191 4.361 4.170 -0.000 0.000 0.310 447 I C 0.664 176.809 176.117 0.047 0.000 1.274 447 I CA -0.300 61.026 61.300 0.042 0.000 1.294 447 I CB 0.309 38.337 38.000 0.046 0.000 1.051 447 I HN -0.110 nan 8.210 nan 0.000 0.435 448 I N 2.412 123.010 120.570 0.047 0.000 2.752 448 I HA -0.004 4.166 4.170 -0.000 0.000 0.287 448 I C 0.132 176.271 176.117 0.038 0.000 1.188 448 I CA 0.913 62.241 61.300 0.047 0.000 1.427 448 I CB 0.522 38.535 38.000 0.021 0.000 1.365 448 I HN 0.395 nan 8.210 nan 0.000 0.585 449 Q N 3.786 123.619 119.800 0.055 0.000 2.399 449 Q HA 0.261 4.601 4.340 -0.000 0.000 0.276 449 Q C -1.067 174.969 176.000 0.061 0.000 1.098 449 Q CA -1.019 54.814 55.803 0.050 0.000 0.827 449 Q CB 1.903 30.675 28.738 0.056 0.000 1.386 449 Q HN 0.475 nan 8.270 nan 0.000 0.443 450 D N -0.265 120.161 120.400 0.043 0.000 2.493 450 D HA 0.188 4.828 4.640 -0.000 0.000 0.240 450 D C 0.879 177.223 176.300 0.074 0.000 1.142 450 D CA 2.288 56.315 54.000 0.046 0.000 0.872 450 D CB 0.290 41.102 40.800 0.020 0.000 1.173 450 D HN 0.704 nan 8.370 nan 0.000 0.467 451 G N 3.080 111.949 108.800 0.115 0.000 2.175 451 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 451 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 451 G C 0.032 175.175 174.900 0.404 0.000 0.982 451 G CA 0.028 45.224 45.100 0.160 0.000 0.641 451 G HN 0.630 nan 8.290 nan 0.000 0.527 452 D N 0.133 120.733 120.400 0.334 0.000 2.488 452 D HA 0.313 4.953 4.640 -0.000 0.000 0.238 452 D C 0.650 177.188 176.300 0.395 0.000 1.138 452 D CA 0.170 54.388 54.000 0.362 0.000 0.873 452 D CB 1.120 42.040 40.800 0.199 0.000 1.183 452 D HN 0.381 nan 8.370 nan 0.000 0.458 453 L N 3.418 124.748 121.223 0.177 0.000 2.264 453 L HA 0.377 4.717 4.340 -0.000 0.000 0.289 453 L C -0.586 176.191 176.870 -0.155 0.000 1.044 453 L CA -0.454 54.176 54.840 -0.350 0.000 0.807 453 L CB 0.449 41.782 42.059 -1.209 0.000 1.192 453 L HN 0.288 nan 8.230 nan 0.000 0.425 454 I N 6.362 126.875 120.570 -0.094 0.000 2.328 454 I HA 0.260 4.430 4.170 -0.000 0.000 0.287 454 I C -0.585 175.461 176.117 -0.118 0.000 1.012 454 I CA -0.343 60.933 61.300 -0.040 0.000 1.195 454 I CB 1.275 39.316 38.000 0.069 0.000 1.350 454 I HN 0.463 nan 8.210 nan 0.000 0.464 455 L N 6.425 127.573 121.223 -0.125 0.000 2.257 455 L HA 0.504 4.844 4.340 -0.000 0.000 0.290 455 L C 0.492 177.311 176.870 -0.084 0.000 1.044 455 L CA -0.402 54.344 54.840 -0.155 0.000 0.810 455 L CB 1.239 43.212 42.059 -0.144 0.000 1.193 455 L HN 0.673 nan 8.230 nan 0.000 0.425 456 A N 4.086 126.845 122.820 -0.101 0.000 2.316 456 A HA 0.460 4.780 4.320 -0.000 0.000 0.311 456 A C -0.320 177.231 177.584 -0.055 0.000 1.339 456 A CA -0.297 51.693 52.037 -0.079 0.000 0.960 456 A CB 0.465 19.400 19.000 -0.108 0.000 1.152 456 A HN 0.643 nan 8.150 nan 0.000 0.547 457 Q N 1.896 121.697 119.800 0.001 0.000 2.333 457 Q HA 0.636 4.976 4.340 -0.000 0.000 0.268 457 Q C -0.109 175.901 176.000 0.015 0.000 1.007 457 Q CA 0.673 56.528 55.803 0.085 0.000 0.810 457 Q CB 1.584 30.472 28.738 0.250 0.000 1.264 457 Q HN 1.576 nan 8.270 nan 0.000 0.452 458 G N 1.259 110.036 108.800 -0.039 0.000 2.359 458 G HA2 0.382 4.342 3.960 -0.000 0.000 0.314 458 G HA3 0.382 4.342 3.960 -0.000 0.000 0.314 458 G C -0.793 173.886 174.900 -0.368 0.000 1.364 458 G CA -0.172 44.813 45.100 -0.192 0.000 0.978 458 G HN 0.720 nan 8.290 nan 0.000 0.615 459 A N -0.775 121.696 122.820 -0.582 0.000 2.348 459 A HA 0.718 5.037 4.320 -0.000 0.000 0.224 459 A C 1.485 178.696 177.584 -0.623 0.000 1.227 459 A CA 1.722 53.078 52.037 -1.135 0.000 0.885 459 A CB -0.188 17.725 19.000 -1.812 0.000 0.933 459 A HN 1.947 nan 8.150 nan 0.000 0.506 460 G N -0.323 108.174 108.800 -0.506 0.000 3.022 460 G HA2 0.308 4.268 3.960 -0.000 0.000 0.157 460 G HA3 0.308 4.268 3.960 -0.000 0.000 0.157 460 G C 1.209 175.658 174.900 -0.752 0.000 1.468 460 G CA 0.714 45.197 45.100 -1.027 0.000 1.058 460 G HN 0.603 nan 8.290 nan 0.000 0.581 461 S N -0.660 114.570 115.700 -0.784 0.000 2.603 461 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 461 S C 2.129 176.616 174.600 -0.188 0.000 0.972 461 S CA 0.843 58.878 58.200 -0.275 0.000 0.935 461 S CB 0.152 63.340 63.200 -0.019 0.000 0.769 461 S HN 0.457 nan 8.310 nan 0.000 0.536 462 V N 2.916 122.692 119.914 -0.229 0.000 2.380 462 V HA -0.213 3.906 4.120 -0.000 0.000 0.251 462 V C 2.762 178.771 176.094 -0.142 0.000 1.063 462 V CA 2.486 64.680 62.300 -0.177 0.000 1.055 462 V CB -0.922 30.780 31.823 -0.201 0.000 0.657 462 V HN 0.836 nan 8.190 nan 0.000 0.455 463 S N -0.678 114.946 115.700 -0.126 0.000 2.387 463 S HA -0.241 4.228 4.470 -0.000 0.000 0.226 463 S C 2.120 176.666 174.600 -0.091 0.000 1.026 463 S CA 1.586 59.732 58.200 -0.090 0.000 0.972 463 S CB -0.570 62.603 63.200 -0.046 0.000 0.814 463 S HN 0.733 nan 8.310 nan 0.000 0.477 464 K N 1.084 121.431 120.400 -0.089 0.000 2.057 464 K HA -0.026 4.293 4.320 -0.000 0.000 0.207 464 K C 2.075 178.616 176.600 -0.099 0.000 1.049 464 K CA 1.629 57.869 56.287 -0.078 0.000 0.931 464 K CB -0.373 32.092 32.500 -0.060 0.000 0.714 464 K HN 0.503 nan 8.250 nan 0.000 0.440 465 I N 1.294 121.796 120.570 -0.113 0.000 2.252 465 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 465 I C 2.530 178.535 176.117 -0.186 0.000 1.102 465 I CA 1.442 62.661 61.300 -0.135 0.000 1.385 465 I CB -0.312 37.614 38.000 -0.124 0.000 1.064 465 I HN 0.316 nan 8.210 nan 0.000 0.414 466 S N 0.967 116.557 115.700 -0.183 0.000 2.383 466 S HA -0.231 4.239 4.470 -0.000 0.000 0.227 466 S C 2.110 176.564 174.600 -0.242 0.000 1.026 466 S CA 1.079 59.140 58.200 -0.231 0.000 0.981 466 S CB -0.414 62.680 63.200 -0.177 0.000 0.818 466 S HN 0.305 nan 8.310 nan 0.000 0.472 467 R N 2.031 122.433 120.500 -0.164 0.000 2.081 467 R HA 0.062 4.402 4.340 -0.000 0.000 0.235 467 R C 2.421 178.622 176.300 -0.165 0.000 1.131 467 R CA 1.871 57.893 56.100 -0.130 0.000 0.960 467 R CB -1.442 28.810 30.300 -0.079 0.000 0.856 467 R HN 0.481 nan 8.270 nan 0.000 0.436 468 G N 0.568 109.264 108.800 -0.173 0.000 2.422 468 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 468 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 468 G C 1.310 176.043 174.900 -0.277 0.000 1.146 468 G CA 0.801 45.796 45.100 -0.176 0.000 0.769 468 G HN 0.352 nan 8.290 nan 0.000 0.547 469 L N 1.341 122.319 121.223 -0.407 0.000 2.017 469 L HA 0.156 4.496 4.340 -0.000 0.000 0.208 469 L C 3.062 179.360 176.870 -0.954 0.000 1.073 469 L CA 2.284 56.687 54.840 -0.728 0.000 0.745 469 L CB -0.725 40.847 42.059 -0.811 0.000 0.894 469 L HN 0.213 nan 8.230 nan 0.000 0.432 470 A N -0.887 121.503 122.820 -0.717 0.000 1.902 470 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 470 A C 2.201 179.640 177.584 -0.242 0.000 1.181 470 A CA 1.905 53.565 52.037 -0.629 0.000 0.623 470 A CB -0.709 18.146 19.000 -0.241 0.000 0.818 470 A HN 0.605 nan 8.150 nan 0.000 0.443 471 E N 0.048 120.154 120.200 -0.156 0.000 2.077 471 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 471 E C 2.430 179.020 176.600 -0.018 0.000 0.989 471 E CA 1.609 57.985 56.400 -0.040 0.000 0.800 471 E CB -0.150 29.520 29.700 -0.050 0.000 0.746 471 E HN 0.817 nan 8.360 nan 0.000 0.452 472 S N -0.217 115.427 115.700 -0.094 0.000 2.368 472 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 472 S C 0.746 175.440 174.600 0.158 0.000 1.030 472 S CA 0.339 58.533 58.200 -0.011 0.000 0.999 472 S CB -0.350 62.803 63.200 -0.077 0.000 0.844 472 S HN 0.160 nan 8.310 nan 0.000 0.459 473 W N 0.000 121.229 121.300 -0.119 0.000 2.388 473 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 473 W CA 0.000 57.295 57.345 -0.084 0.000 1.226 473 W CB 0.000 29.246 29.460 -0.357 0.000 1.126 473 W HN 0.000 nan 8.180 nan 0.000 0.535