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 3lsb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MILIRGLTRV ITFDDQEREL EDADILIDGP KIVAVGKDLS DRSVSRTIDG DATA SEQUENCE RGMIALPGLI NSHQHLYEGA MRAIPQLERV TMASWLEGVL TRSAGWWRDG DATA SEQUENCE KFGPDVIREV ARAVLLESLL GGITTVADQH LFFPGATADS YIDATIEAAT DATA SEQUENCE DLGIRFHAAR SSMTLGKSEG GFCDDLFVEP VDRVVQHCLG LIDQYHEPEP DATA SEQUENCE FGMVRIALGP CGVPYDKPEL FEAFAQMAAD YDVRLHTHFY QPLDAGMSDH DATA SEQUENCE LYGMTPWRFL EKHGWASDRV WLAHAVVPPR EEIPEFADAG VAIAHLIAPD DATA SEQUENCE LRMGWGLAPI REYLDAGITV GFGTTGSASN DGGNLLGDLR LAALAHRPAD DATA SEQUENCE PNEPEKWLSA RELLRMATRG SAECLGRPDL GVLEEGRAAD IACWRLDGVD DATA SEQUENCE RVGVHDPAIG LIMTGLSDRA SLVVVNGQVL VENERPVLAD LERIVANTTA DATA SEQUENCE LIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 I N 2.832 123.385 120.570 -0.028 0.000 2.436 2 I HA 0.492 4.660 4.170 -0.003 0.000 0.289 2 I C -1.320 174.783 176.117 -0.023 0.000 1.010 2 I CA -0.906 60.378 61.300 -0.026 0.000 1.098 2 I CB 2.145 40.127 38.000 -0.030 0.000 1.266 2 I HN 0.451 nan 8.210 nan 0.000 0.434 3 L N 8.040 129.252 121.223 -0.020 0.000 2.305 3 L HA 0.569 4.908 4.340 -0.003 0.000 0.284 3 L C -0.734 176.126 176.870 -0.017 0.000 1.013 3 L CA -0.077 54.753 54.840 -0.017 0.000 0.819 3 L CB 1.140 43.191 42.059 -0.014 0.000 1.227 3 L HN 0.390 nan 8.230 nan 0.000 0.417 4 I N 5.529 126.089 120.570 -0.016 0.000 2.307 4 I HA 0.436 4.604 4.170 -0.003 0.000 0.289 4 I C 0.025 176.135 176.117 -0.011 0.000 1.021 4 I CA -0.369 60.922 61.300 -0.015 0.000 1.224 4 I CB 0.850 38.841 38.000 -0.016 0.000 1.376 4 I HN 0.586 nan 8.210 nan 0.000 0.470 5 R N 5.101 125.596 120.500 -0.010 0.000 2.445 5 R HA 0.563 4.901 4.340 -0.003 0.000 0.308 5 R C 0.556 176.853 176.300 -0.005 0.000 0.961 5 R CA -0.040 56.056 56.100 -0.007 0.000 0.862 5 R CB 1.506 31.801 30.300 -0.008 0.000 1.144 5 R HN 0.861 nan 8.270 nan 0.000 0.447 6 G N 3.874 112.672 108.800 -0.004 0.000 2.149 6 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.235 6 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.235 6 G C -0.062 174.838 174.900 -0.000 0.000 1.018 6 G CA -0.028 45.070 45.100 -0.002 0.000 0.728 6 G HN 0.524 nan 8.290 nan 0.000 0.508 7 L N 0.650 121.874 121.223 0.001 0.000 2.559 7 L HA 0.133 4.471 4.340 -0.003 0.000 0.274 7 L C 2.219 179.092 176.870 0.006 0.000 1.205 7 L CA 0.573 55.417 54.840 0.006 0.000 0.907 7 L CB 0.306 42.369 42.059 0.008 0.000 1.153 7 L HN 0.252 nan 8.230 nan 0.000 0.490 8 T N 1.366 115.927 114.554 0.011 0.000 2.759 8 T HA -0.172 4.176 4.350 -0.003 0.000 0.269 8 T C 0.791 175.494 174.700 0.005 0.000 1.042 8 T CA 1.421 63.526 62.100 0.008 0.000 1.140 8 T CB -0.173 68.702 68.868 0.012 0.000 0.864 8 T HN 0.444 nan 8.240 nan 0.000 0.455 9 R N 0.080 120.585 120.500 0.009 0.000 2.566 9 R HA 0.517 4.856 4.340 -0.003 0.000 0.271 9 R C -2.336 173.963 176.300 -0.002 0.000 1.071 9 R CA -0.444 55.655 56.100 -0.002 0.000 0.915 9 R CB 1.487 31.785 30.300 -0.003 0.000 1.228 9 R HN -0.063 nan 8.270 nan 0.000 0.449 10 V N 5.862 125.762 119.914 -0.023 0.000 2.487 10 V HA 0.531 4.650 4.120 -0.003 0.000 0.298 10 V C -0.371 175.671 176.094 -0.087 0.000 1.028 10 V CA -0.772 61.508 62.300 -0.032 0.000 0.860 10 V CB 1.810 33.618 31.823 -0.025 0.000 0.991 10 V HN 0.607 nan 8.190 nan 0.000 0.427 11 I N 4.697 125.189 120.570 -0.131 0.000 2.328 11 I HA 0.245 4.413 4.170 -0.003 0.000 0.287 11 I C 1.484 177.389 176.117 -0.354 0.000 1.012 11 I CA -0.070 61.041 61.300 -0.315 0.000 1.195 11 I CB 1.373 39.105 38.000 -0.445 0.000 1.350 11 I HN 0.799 nan 8.210 nan 0.000 0.464 12 T N 1.838 116.212 114.554 -0.300 0.000 2.978 12 T HA -0.020 4.328 4.350 -0.003 0.000 0.262 12 T C 0.947 175.616 174.700 -0.052 0.000 1.063 12 T CA 0.321 62.340 62.100 -0.135 0.000 1.140 12 T CB -0.252 68.580 68.868 -0.059 0.000 0.886 12 T HN 0.401 nan 8.240 nan 0.000 0.470 13 F N 2.544 122.505 119.950 0.018 0.000 3.105 13 F HA -0.166 4.360 4.527 -0.003 0.000 0.280 13 F C 0.474 176.283 175.800 0.015 0.000 0.894 13 F CA 0.137 58.146 58.000 0.015 0.000 0.992 13 F CB -2.715 36.294 39.000 0.015 0.000 1.047 13 F HN 0.539 nan 8.300 nan 0.000 0.607 14 D N -0.269 120.194 120.400 0.106 0.000 2.380 14 D HA 0.124 4.762 4.640 -0.003 0.000 0.254 14 D C 1.049 177.394 176.300 0.075 0.000 1.288 14 D CA 0.239 54.287 54.000 0.080 0.000 1.008 14 D CB 0.331 41.156 40.800 0.043 0.000 1.099 14 D HN 0.180 nan 8.370 nan 0.000 0.537 15 D N -1.428 119.005 120.400 0.054 0.000 2.264 15 D HA -0.113 4.526 4.640 -0.003 0.000 0.208 15 D C 1.301 177.625 176.300 0.040 0.000 0.966 15 D CA 0.873 54.901 54.000 0.048 0.000 0.864 15 D CB 0.073 40.894 40.800 0.035 0.000 0.933 15 D HN 0.245 nan 8.370 nan 0.000 0.499 16 Q N 0.369 120.188 119.800 0.031 0.000 2.319 16 Q HA 0.029 4.367 4.340 -0.003 0.000 0.202 16 Q C -0.050 175.962 176.000 0.019 0.000 0.896 16 Q CA 0.283 56.099 55.803 0.022 0.000 0.942 16 Q CB 0.436 29.181 28.738 0.012 0.000 1.083 16 Q HN 0.236 nan 8.270 nan 0.000 0.510 17 E N 0.387 120.605 120.200 0.030 0.000 2.440 17 E HA -0.232 4.117 4.350 -0.003 0.000 0.246 17 E C -0.521 176.056 176.600 -0.037 0.000 1.165 17 E CA 0.507 56.917 56.400 0.016 0.000 0.726 17 E CB -1.763 27.964 29.700 0.045 0.000 1.271 17 E HN 0.443 nan 8.360 nan 0.000 0.397 18 R N 0.698 121.177 120.500 -0.036 0.000 2.585 18 R HA 0.142 4.481 4.340 -0.003 0.000 0.275 18 R C 0.650 176.897 176.300 -0.088 0.000 1.018 18 R CA 0.680 56.752 56.100 -0.047 0.000 1.072 18 R CB 0.481 30.763 30.300 -0.030 0.000 0.953 18 R HN 0.184 nan 8.270 nan 0.000 0.419 19 E N 2.288 122.442 120.200 -0.077 0.000 2.256 19 E HA 0.412 4.760 4.350 -0.003 0.000 0.267 19 E C -1.098 175.471 176.600 -0.053 0.000 0.892 19 E CA -0.912 55.436 56.400 -0.088 0.000 0.775 19 E CB 1.866 31.508 29.700 -0.096 0.000 1.207 19 E HN 0.119 nan 8.360 nan 0.000 0.420 20 L N 1.319 122.515 121.223 -0.046 0.000 2.370 20 L HA 0.403 4.741 4.340 -0.003 0.000 0.266 20 L C -0.338 176.519 176.870 -0.021 0.000 1.002 20 L CA -0.520 54.304 54.840 -0.028 0.000 0.818 20 L CB 1.825 43.871 42.059 -0.023 0.000 1.325 20 L HN 0.470 nan 8.230 nan 0.000 0.418 21 E N 0.980 121.171 120.200 -0.014 0.000 2.207 21 E HA 0.341 4.690 4.350 -0.003 0.000 0.270 21 E C -1.174 175.422 176.600 -0.006 0.000 0.927 21 E CA -0.773 55.621 56.400 -0.009 0.000 0.799 21 E CB 1.129 30.825 29.700 -0.007 0.000 1.172 21 E HN 0.516 nan 8.360 nan 0.000 0.404 22 D N 0.813 121.211 120.400 -0.003 0.000 2.802 22 D HA -0.204 4.434 4.640 -0.003 0.000 0.229 22 D C -0.944 175.354 176.300 -0.004 0.000 1.203 22 D CA 1.131 55.129 54.000 -0.003 0.000 0.712 22 D CB -0.966 39.833 40.800 -0.002 0.000 0.973 22 D HN 0.479 nan 8.370 nan 0.000 0.407 23 A N 0.503 123.321 122.820 -0.004 0.000 2.530 23 A HA 0.719 5.038 4.320 -0.003 0.000 0.288 23 A C -0.782 176.799 177.584 -0.005 0.000 1.172 23 A CA -0.804 51.230 52.037 -0.005 0.000 0.733 23 A CB 1.864 20.859 19.000 -0.008 0.000 1.320 23 A HN -0.001 nan 8.150 nan 0.000 0.419 24 D N -0.339 120.058 120.400 -0.005 0.000 2.419 24 D HA 0.684 5.322 4.640 -0.003 0.000 0.234 24 D C -0.944 175.352 176.300 -0.005 0.000 1.014 24 D CA 0.036 54.033 54.000 -0.005 0.000 0.919 24 D CB 1.652 42.448 40.800 -0.006 0.000 1.366 24 D HN 0.409 nan 8.370 nan 0.000 0.490 25 I N 1.136 121.702 120.570 -0.007 0.000 2.466 25 I HA 0.263 4.432 4.170 -0.003 0.000 0.289 25 I C -1.161 174.949 176.117 -0.011 0.000 1.026 25 I CA -0.979 60.317 61.300 -0.007 0.000 1.078 25 I CB 2.013 40.010 38.000 -0.005 0.000 1.249 25 I HN 0.004 nan 8.210 nan 0.000 0.429 26 L N 8.149 129.365 121.223 -0.011 0.000 2.307 26 L HA 0.662 5.001 4.340 -0.003 0.000 0.284 26 L C -0.945 175.912 176.870 -0.023 0.000 1.023 26 L CA -0.151 54.679 54.840 -0.016 0.000 0.810 26 L CB 1.332 43.384 42.059 -0.013 0.000 1.231 26 L HN 0.399 nan 8.230 nan 0.000 0.423 27 I N 3.751 124.302 120.570 -0.031 0.000 2.498 27 I HA 0.378 4.547 4.170 -0.003 0.000 0.290 27 I C -1.307 174.780 176.117 -0.051 0.000 1.032 27 I CA -0.558 60.715 61.300 -0.046 0.000 1.073 27 I CB 2.101 40.072 38.000 -0.048 0.000 1.251 27 I HN 0.514 nan 8.210 nan 0.000 0.426 28 D N 4.903 125.263 120.400 -0.068 0.000 2.421 28 D HA 0.558 5.197 4.640 -0.003 0.000 0.254 28 D C 0.415 176.656 176.300 -0.098 0.000 1.238 28 D CA 0.661 54.622 54.000 -0.066 0.000 0.919 28 D CB 1.191 41.961 40.800 -0.051 0.000 1.152 28 D HN 0.817 nan 8.370 nan 0.000 0.552 29 G N 4.968 113.713 108.800 -0.090 0.000 2.556 29 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.283 29 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.283 29 G C -1.463 173.338 174.900 -0.164 0.000 1.177 29 G CA 0.091 45.125 45.100 -0.111 0.000 0.978 29 G HN 0.511 nan 8.290 nan 0.000 0.554 30 P HA 0.179 nan 4.420 nan 0.000 0.245 30 P C 0.374 177.348 177.300 -0.544 0.000 1.206 30 P CA 1.435 64.312 63.100 -0.373 0.000 0.781 30 P CB 0.009 31.432 31.700 -0.463 0.000 0.994 31 K N -0.238 119.877 120.400 -0.474 0.000 2.340 31 K HA 0.506 4.824 4.320 -0.003 0.000 0.244 31 K C -0.579 175.927 176.600 -0.157 0.000 0.973 31 K CA -1.117 54.928 56.287 -0.402 0.000 0.828 31 K CB 1.686 33.917 32.500 -0.449 0.000 1.226 31 K HN -0.226 nan 8.250 nan 0.000 0.437 32 I N 3.364 123.892 120.570 -0.071 0.000 2.416 32 I HA -0.029 4.140 4.170 -0.003 0.000 0.288 32 I C 1.347 177.458 176.117 -0.011 0.000 1.051 32 I CA -0.528 60.757 61.300 -0.026 0.000 1.375 32 I CB 1.503 39.507 38.000 0.007 0.000 1.407 32 I HN 0.673 nan 8.210 nan 0.000 0.516 33 V N 3.537 123.442 119.914 -0.015 0.000 2.575 33 V HA 0.453 4.571 4.120 -0.003 0.000 0.242 33 V C 0.756 176.852 176.094 0.003 0.000 1.045 33 V CA 0.673 62.970 62.300 -0.005 0.000 1.065 33 V CB -0.170 31.646 31.823 -0.012 0.000 0.717 33 V HN 0.730 nan 8.190 nan 0.000 0.467 34 A N -0.654 122.165 122.820 -0.000 0.000 2.587 34 A HA 0.824 5.142 4.320 -0.003 0.000 0.293 34 A C -1.269 176.316 177.584 0.001 0.000 1.087 34 A CA -0.388 51.650 52.037 0.002 0.000 0.692 34 A CB 2.273 21.273 19.000 0.000 0.000 1.291 34 A HN 0.588 nan 8.150 nan 0.000 0.407 35 V N 0.842 120.758 119.914 0.003 0.000 2.567 35 V HA 0.827 4.946 4.120 -0.003 0.000 0.298 35 V C 0.369 176.462 176.094 -0.002 0.000 1.047 35 V CA 0.483 62.783 62.300 0.000 0.000 0.880 35 V CB 1.137 32.962 31.823 0.002 0.000 1.009 35 V HN 2.039 nan 8.190 nan 0.000 0.429 36 G N 3.954 112.751 108.800 -0.004 0.000 2.320 36 G HA2 0.344 4.302 3.960 -0.003 0.000 0.296 36 G HA3 0.344 4.302 3.960 -0.003 0.000 0.296 36 G C -1.623 173.274 174.900 -0.005 0.000 1.306 36 G CA -1.035 44.062 45.100 -0.005 0.000 0.836 36 G HN 0.502 nan 8.290 nan 0.000 0.517 37 K N 0.320 120.717 120.400 -0.005 0.000 2.237 37 K HA 0.397 4.716 4.320 -0.003 0.000 0.270 37 K C -0.227 176.371 176.600 -0.004 0.000 1.015 37 K CA -0.031 56.254 56.287 -0.004 0.000 0.949 37 K CB 0.715 33.212 32.500 -0.004 0.000 0.976 37 K HN 0.585 nan 8.250 nan 0.000 0.472 38 D N 1.904 122.302 120.400 -0.004 0.000 2.890 38 D HA -0.185 4.453 4.640 -0.003 0.000 0.226 38 D C -0.945 175.353 176.300 -0.004 0.000 1.207 38 D CA 0.541 54.539 54.000 -0.004 0.000 0.764 38 D CB -0.693 40.105 40.800 -0.003 0.000 0.948 38 D HN 0.350 nan 8.370 nan 0.000 0.404 39 L N 0.566 121.787 121.223 -0.004 0.000 2.395 39 L HA 0.243 4.582 4.340 -0.003 0.000 0.269 39 L C 1.232 178.099 176.870 -0.005 0.000 1.133 39 L CA -0.568 54.270 54.840 -0.005 0.000 0.812 39 L CB 1.269 43.325 42.059 -0.005 0.000 1.125 39 L HN 0.227 nan 8.230 nan 0.000 0.452 40 S N 0.474 116.171 115.700 -0.005 0.000 2.531 40 S HA 0.033 4.502 4.470 -0.003 0.000 0.279 40 S C 0.404 175.000 174.600 -0.006 0.000 1.305 40 S CA -0.730 57.467 58.200 -0.005 0.000 1.058 40 S CB 0.580 63.778 63.200 -0.004 0.000 0.899 40 S HN 0.672 nan 8.310 nan 0.000 0.493 41 D N 3.345 123.741 120.400 -0.007 0.000 2.370 41 D HA 0.063 4.702 4.640 -0.003 0.000 0.230 41 D C 1.291 177.586 176.300 -0.008 0.000 1.143 41 D CA -0.355 53.640 54.000 -0.008 0.000 0.834 41 D CB -0.129 40.666 40.800 -0.008 0.000 0.944 41 D HN 0.534 nan 8.370 nan 0.000 0.504 42 R N 1.885 122.381 120.500 -0.007 0.000 2.179 42 R HA -0.226 4.112 4.340 -0.003 0.000 0.238 42 R C 1.153 177.449 176.300 -0.007 0.000 1.119 42 R CA 2.585 58.681 56.100 -0.006 0.000 0.915 42 R CB -1.029 29.268 30.300 -0.005 0.000 0.870 42 R HN 0.204 nan 8.270 nan 0.000 0.432 43 S N -0.581 115.114 115.700 -0.008 0.000 2.537 43 S HA 0.357 4.826 4.470 -0.003 0.000 0.246 43 S C -0.242 174.351 174.600 -0.012 0.000 1.036 43 S CA -0.757 57.437 58.200 -0.009 0.000 1.041 43 S CB 0.290 63.484 63.200 -0.009 0.000 0.799 43 S HN 0.066 nan 8.310 nan 0.000 0.456 44 V N 3.041 122.948 119.914 -0.012 0.000 2.546 44 V HA 0.365 4.484 4.120 -0.003 0.000 0.284 44 V C 1.182 177.268 176.094 -0.013 0.000 1.050 44 V CA 0.073 62.365 62.300 -0.013 0.000 0.981 44 V CB 1.391 33.207 31.823 -0.013 0.000 0.990 44 V HN 0.686 nan 8.190 nan 0.000 0.474 45 S N 3.730 119.421 115.700 -0.015 0.000 2.559 45 S HA 0.303 4.771 4.470 -0.003 0.000 0.226 45 S C 0.489 175.080 174.600 -0.015 0.000 1.000 45 S CA -0.381 57.811 58.200 -0.014 0.000 0.948 45 S CB 0.189 63.381 63.200 -0.014 0.000 0.870 45 S HN 0.722 nan 8.310 nan 0.000 0.497 46 R N 0.670 121.160 120.500 -0.016 0.000 2.508 46 R HA 0.406 4.745 4.340 -0.003 0.000 0.283 46 R C -1.903 174.387 176.300 -0.017 0.000 1.120 46 R CA -0.060 56.030 56.100 -0.016 0.000 0.958 46 R CB 1.502 31.791 30.300 -0.019 0.000 1.215 46 R HN 0.112 nan 8.270 nan 0.000 0.427 47 T N 5.699 120.244 114.554 -0.015 0.000 2.797 47 T HA 0.498 4.847 4.350 -0.003 0.000 0.279 47 T C -0.114 174.577 174.700 -0.015 0.000 0.991 47 T CA -0.405 61.687 62.100 -0.014 0.000 0.979 47 T CB 0.789 69.650 68.868 -0.012 0.000 0.943 47 T HN 0.384 nan 8.240 nan 0.000 0.444 48 I N 2.514 123.074 120.570 -0.017 0.000 2.378 48 I HA 0.271 4.439 4.170 -0.003 0.000 0.291 48 I C -0.102 176.006 176.117 -0.015 0.000 0.992 48 I CA -0.943 60.346 61.300 -0.018 0.000 1.154 48 I CB 1.673 39.659 38.000 -0.023 0.000 1.315 48 I HN 0.474 nan 8.210 nan 0.000 0.448 49 D N 5.026 125.418 120.400 -0.014 0.000 2.342 49 D HA 0.132 4.770 4.640 -0.003 0.000 0.260 49 D C 0.981 177.275 176.300 -0.010 0.000 1.278 49 D CA 0.127 54.120 54.000 -0.011 0.000 0.910 49 D CB 1.337 42.132 40.800 -0.009 0.000 1.079 49 D HN 0.730 nan 8.370 nan 0.000 0.496 50 G N 3.800 112.595 108.800 -0.008 0.000 3.189 50 G HA2 -0.030 3.929 3.960 -0.003 0.000 0.225 50 G HA3 -0.030 3.929 3.960 -0.003 0.000 0.225 50 G C 0.688 175.590 174.900 0.002 0.000 1.159 50 G CA -0.371 44.726 45.100 -0.004 0.000 0.763 50 G HN 0.369 nan 8.290 nan 0.000 0.549 51 R N 0.128 120.628 120.500 0.001 0.000 2.484 51 R HA 0.370 4.709 4.340 -0.003 0.000 0.293 51 R C 1.338 177.642 176.300 0.007 0.000 1.023 51 R CA 0.979 57.081 56.100 0.003 0.000 1.037 51 R CB 0.452 30.752 30.300 0.001 0.000 0.951 51 R HN 0.249 nan 8.270 nan 0.000 0.418 52 G N 2.283 111.090 108.800 0.011 0.000 2.157 52 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.248 52 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.248 52 G C 0.072 174.991 174.900 0.031 0.000 0.979 52 G CA -0.165 44.945 45.100 0.017 0.000 0.650 52 G HN 0.472 nan 8.290 nan 0.000 0.529 53 M N 0.172 119.793 119.600 0.034 0.000 2.578 53 M HA 0.657 5.135 4.480 -0.003 0.000 0.321 53 M C -0.007 176.335 176.300 0.070 0.000 1.182 53 M CA -0.873 54.462 55.300 0.058 0.000 0.965 53 M CB 2.516 35.139 32.600 0.040 0.000 1.694 53 M HN 0.177 nan 8.290 nan 0.000 0.461 54 I N 1.653 122.295 120.570 0.120 0.000 2.377 54 I HA 0.675 4.844 4.170 -0.003 0.000 0.293 54 I C -0.886 175.340 176.117 0.180 0.000 0.987 54 I CA -0.396 60.977 61.300 0.122 0.000 1.185 54 I CB 1.117 39.184 38.000 0.113 0.000 1.341 54 I HN 0.822 nan 8.210 nan 0.000 0.455 55 A N 7.822 130.714 122.820 0.120 0.000 2.330 55 A HA 0.790 5.109 4.320 -0.003 0.000 0.327 55 A C -1.327 176.337 177.584 0.133 0.000 1.155 55 A CA -0.484 51.629 52.037 0.126 0.000 0.803 55 A CB 1.204 20.238 19.000 0.057 0.000 1.208 55 A HN 0.639 nan 8.150 nan 0.000 0.477 56 L N 2.055 123.404 121.223 0.210 0.000 2.309 56 L HA 0.616 4.954 4.340 -0.003 0.000 0.261 56 L C -2.392 174.597 176.870 0.197 0.000 1.021 56 L CA -1.846 53.124 54.840 0.216 0.000 0.823 56 L CB 2.001 44.260 42.059 0.334 0.000 1.366 56 L HN 0.383 nan 8.230 nan 0.000 0.423 57 P HA 0.111 nan 4.420 nan 0.000 0.267 57 P C -0.256 177.148 177.300 0.174 0.000 1.200 57 P CA -0.241 62.964 63.100 0.175 0.000 0.772 57 P CB 0.304 32.126 31.700 0.204 0.000 0.855 58 G N 2.819 111.691 108.800 0.119 0.000 2.391 58 G HA2 0.092 4.051 3.960 -0.003 0.000 0.234 58 G HA3 0.092 4.051 3.960 -0.003 0.000 0.234 58 G C -0.091 174.885 174.900 0.126 0.000 1.284 58 G CA -0.453 44.714 45.100 0.112 0.000 0.873 58 G HN 0.419 nan 8.290 nan 0.000 0.549 59 L N 1.036 122.355 121.223 0.161 0.000 2.439 59 L HA 0.303 4.641 4.340 -0.003 0.000 0.269 59 L C 0.394 177.312 176.870 0.081 0.000 1.179 59 L CA 0.028 54.947 54.840 0.131 0.000 0.828 59 L CB 0.654 42.817 42.059 0.173 0.000 1.106 59 L HN 0.327 nan 8.230 nan 0.000 0.467 60 I N 2.363 122.961 120.570 0.046 0.000 2.439 60 I HA 0.180 4.349 4.170 -0.003 0.000 0.283 60 I C -0.268 175.863 176.117 0.022 0.000 1.023 60 I CA -0.492 60.811 61.300 0.005 0.000 1.100 60 I CB 1.580 39.542 38.000 -0.064 0.000 1.238 60 I HN 0.503 nan 8.210 nan 0.000 0.445 61 N N 4.138 122.862 118.700 0.040 0.000 2.415 61 N HA 0.051 4.789 4.740 -0.003 0.000 0.250 61 N C 0.899 176.421 175.510 0.021 0.000 1.127 61 N CA -0.013 53.077 53.050 0.067 0.000 0.945 61 N CB 0.982 39.523 38.487 0.089 0.000 1.196 61 N HN 0.636 nan 8.380 nan 0.000 0.499 62 S N 1.944 117.661 115.700 0.028 0.000 2.603 62 S HA 0.010 4.478 4.470 -0.003 0.000 0.220 62 S C 0.227 174.957 174.600 0.216 0.000 0.967 62 S CA 0.142 58.350 58.200 0.014 0.000 0.920 62 S CB -0.253 62.907 63.200 -0.067 0.000 0.773 62 S HN 0.701 nan 8.310 nan 0.000 0.529 63 H N 0.312 119.400 119.070 0.030 0.000 3.287 63 H HA 0.465 5.020 4.556 -0.002 0.000 0.329 63 H C -1.089 174.194 175.328 -0.074 0.000 1.130 63 H CA -0.169 55.883 56.048 0.006 0.000 1.593 63 H CB 0.623 30.388 29.762 0.005 0.000 1.916 63 H HN 0.062 nan 8.280 nan 0.000 0.503 64 Q N 2.301 121.886 119.800 -0.358 0.000 2.433 64 Q HA 0.342 4.680 4.340 -0.003 0.000 0.279 64 Q C -0.957 174.754 176.000 -0.482 0.000 1.105 64 Q CA -0.862 54.783 55.803 -0.263 0.000 0.815 64 Q CB 2.097 30.830 28.738 -0.009 0.000 1.403 64 Q HN 0.732 nan 8.270 nan 0.000 0.435 65 H N 3.266 122.391 119.070 0.092 0.000 2.791 65 H HA 0.248 4.802 4.556 -0.003 0.000 0.272 65 H C 0.937 176.412 175.328 0.244 0.000 1.188 65 H CA -0.107 56.063 56.048 0.203 0.000 1.436 65 H CB 0.641 30.553 29.762 0.249 0.000 1.467 65 H HN 0.452 nan 8.280 nan 0.000 0.500 66 L N 1.594 123.039 121.223 0.370 0.000 2.083 66 L HA -0.237 4.101 4.340 -0.003 0.000 0.209 66 L C 2.394 179.441 176.870 0.294 0.000 1.083 66 L CA 1.497 56.511 54.840 0.290 0.000 0.752 66 L CB -0.465 41.759 42.059 0.275 0.000 0.899 66 L HN 0.601 nan 8.230 nan 0.000 0.433 67 Y N 0.017 120.431 120.300 0.190 0.000 2.403 67 Y HA -0.143 4.405 4.550 -0.003 0.000 0.291 67 Y C 1.969 177.989 175.900 0.199 0.000 1.143 67 Y CA 0.761 58.947 58.100 0.144 0.000 1.257 67 Y CB -0.655 37.847 38.460 0.070 0.000 0.984 67 Y HN 0.179 nan 8.280 nan 0.000 0.550 68 E N 0.967 120.954 120.200 -0.355 0.000 2.472 68 E HA -0.064 4.284 4.350 -0.003 0.000 0.200 68 E C 2.300 178.886 176.600 -0.023 0.000 1.046 68 E CA 0.432 56.655 56.400 -0.296 0.000 0.871 68 E CB -0.199 29.398 29.700 -0.172 0.000 0.806 68 E HN 0.761 nan 8.360 nan 0.000 0.533 69 G N 1.521 110.353 108.800 0.054 0.000 2.485 69 G HA2 -0.282 3.677 3.960 -0.003 0.000 0.221 69 G HA3 -0.282 3.677 3.960 -0.003 0.000 0.221 69 G C 1.534 176.482 174.900 0.080 0.000 1.115 69 G CA 0.747 45.894 45.100 0.077 0.000 0.751 69 G HN 0.344 nan 8.290 nan 0.000 0.567 70 A N -0.162 122.729 122.820 0.118 0.000 2.238 70 A HA 0.448 4.767 4.320 -0.003 0.000 0.208 70 A C 1.702 179.360 177.584 0.123 0.000 1.177 70 A CA 0.462 52.576 52.037 0.129 0.000 0.804 70 A CB -0.109 19.070 19.000 0.299 0.000 0.823 70 A HN 0.390 nan 8.150 nan 0.000 0.482 71 M N -0.006 119.656 119.600 0.103 0.000 2.876 71 M HA 0.250 4.728 4.480 -0.003 0.000 0.367 71 M C -0.306 176.029 176.300 0.059 0.000 1.242 71 M CA -0.102 55.256 55.300 0.096 0.000 0.889 71 M CB 0.598 33.192 32.600 -0.009 0.000 1.353 71 M HN 0.094 nan 8.290 nan 0.000 0.511 72 R N 1.253 121.791 120.500 0.063 0.000 2.441 72 R HA 0.580 4.918 4.340 -0.003 0.000 0.284 72 R C 0.899 177.230 176.300 0.051 0.000 1.070 72 R CA 0.243 56.378 56.100 0.058 0.000 1.047 72 R CB 0.817 31.148 30.300 0.052 0.000 1.016 72 R HN 0.486 nan 8.270 nan 0.000 0.477 73 A N 2.870 125.721 122.820 0.051 0.000 2.791 73 A HA -0.188 4.131 4.320 -0.003 0.000 0.292 73 A C 0.123 177.729 177.584 0.036 0.000 1.487 73 A CA 0.384 52.446 52.037 0.040 0.000 0.760 73 A CB -1.988 17.032 19.000 0.033 0.000 1.031 73 A HN 0.665 nan 8.150 nan 0.000 0.503 74 I N -0.256 120.336 120.570 0.037 0.000 2.396 74 I HA 0.158 4.327 4.170 -0.003 0.000 0.289 74 I C -0.886 175.242 176.117 0.018 0.000 1.056 74 I CA -2.048 59.266 61.300 0.024 0.000 1.365 74 I CB 1.182 39.184 38.000 0.004 0.000 1.407 74 I HN 0.080 nan 8.210 nan 0.000 0.509 75 P HA -0.173 nan 4.420 nan 0.000 0.217 75 P C 1.027 178.331 177.300 0.008 0.000 1.150 75 P CA 1.192 64.299 63.100 0.012 0.000 0.832 75 P CB 0.173 31.879 31.700 0.010 0.000 0.787 76 Q N -0.929 118.869 119.800 -0.002 0.000 2.291 76 Q HA -0.020 4.319 4.340 -0.003 0.000 0.205 76 Q C 1.604 177.603 176.000 -0.002 0.000 0.970 76 Q CA 0.954 56.752 55.803 -0.009 0.000 0.876 76 Q CB -0.664 28.057 28.738 -0.028 0.000 0.935 76 Q HN 0.300 nan 8.270 nan 0.000 0.455 77 L N -0.190 121.037 121.223 0.007 0.000 2.667 77 L HA 0.147 4.485 4.340 -0.003 0.000 0.232 77 L C 1.888 178.813 176.870 0.092 0.000 1.138 77 L CA -0.024 54.847 54.840 0.052 0.000 0.921 77 L CB 0.024 42.095 42.059 0.021 0.000 1.180 77 L HN 0.264 nan 8.230 nan 0.000 0.487 78 E N 1.763 121.992 120.200 0.049 0.000 2.031 78 E HA -0.117 4.231 4.350 -0.003 0.000 0.193 78 E C 0.506 177.120 176.600 0.024 0.000 0.994 78 E CA 0.993 57.414 56.400 0.036 0.000 0.800 78 E CB 0.378 30.090 29.700 0.020 0.000 0.752 78 E HN 0.374 nan 8.360 nan 0.000 0.447 79 R N 0.575 121.087 120.500 0.019 0.000 2.402 79 R HA 0.266 4.604 4.340 -0.003 0.000 0.290 79 R C -1.038 175.272 176.300 0.016 0.000 1.321 79 R CA -0.367 55.735 56.100 0.004 0.000 1.283 79 R CB 1.627 31.925 30.300 -0.003 0.000 1.111 79 R HN -0.021 nan 8.270 nan 0.000 0.578 80 V N -1.845 118.084 119.914 0.026 0.000 3.049 80 V HA 0.615 4.734 4.120 -0.003 0.000 0.309 80 V C 0.307 176.419 176.094 0.030 0.000 1.148 80 V CA -1.035 61.295 62.300 0.049 0.000 0.990 80 V CB 1.896 33.780 31.823 0.102 0.000 1.039 80 V HN 0.549 nan 8.190 nan 0.000 0.430 81 T N 0.086 114.667 114.554 0.044 0.000 2.788 81 T HA 0.388 4.736 4.350 -0.003 0.000 0.280 81 T C 0.970 175.726 174.700 0.093 0.000 0.984 81 T CA 0.253 62.376 62.100 0.038 0.000 0.972 81 T CB 0.828 69.732 68.868 0.060 0.000 1.039 81 T HN 0.911 nan 8.240 nan 0.000 0.530 82 M N 1.461 121.124 119.600 0.105 0.000 2.073 82 M HA -0.051 4.428 4.480 -0.003 0.000 0.258 82 M C 2.356 178.803 176.300 0.246 0.000 1.070 82 M CA 2.290 57.694 55.300 0.173 0.000 1.103 82 M CB -1.567 31.205 32.600 0.287 0.000 1.321 82 M HN 0.879 nan 8.290 nan 0.000 0.405 83 A N -1.040 121.893 122.820 0.188 0.000 1.873 83 A HA -0.215 4.104 4.320 -0.003 0.000 0.218 83 A C 2.266 179.949 177.584 0.165 0.000 1.193 83 A CA 2.722 54.869 52.037 0.183 0.000 0.629 83 A CB -1.360 17.733 19.000 0.156 0.000 0.826 83 A HN 0.639 nan 8.150 nan 0.000 0.447 84 S N -2.014 113.770 115.700 0.139 0.000 2.383 84 S HA -0.175 4.293 4.470 -0.003 0.000 0.227 84 S C 1.516 176.174 174.600 0.096 0.000 1.026 84 S CA 1.253 59.509 58.200 0.094 0.000 0.981 84 S CB -0.521 62.724 63.200 0.075 0.000 0.818 84 S HN 0.783 nan 8.310 nan 0.000 0.472 85 W N 2.151 123.431 121.300 -0.034 0.000 2.355 85 W HA -0.102 4.557 4.660 -0.002 0.000 0.309 85 W C 1.903 178.378 176.519 -0.074 0.000 1.206 85 W CA 0.931 58.238 57.345 -0.063 0.000 1.284 85 W CB -0.521 28.892 29.460 -0.079 0.000 1.145 85 W HN 0.232 nan 8.180 nan 0.000 0.502 86 L N 1.384 122.744 121.223 0.228 0.000 2.083 86 L HA -0.151 4.187 4.340 -0.003 0.000 0.209 86 L C 2.186 178.946 176.870 -0.183 0.000 1.083 86 L CA 2.234 57.067 54.840 -0.012 0.000 0.752 86 L CB -1.072 41.107 42.059 0.200 0.000 0.899 86 L HN 0.113 nan 8.230 nan 0.000 0.433 87 E N -0.837 119.318 120.200 -0.076 0.000 2.110 87 E HA -0.150 4.198 4.350 -0.003 0.000 0.193 87 E C 2.069 178.559 176.600 -0.183 0.000 0.988 87 E CA 0.906 57.254 56.400 -0.087 0.000 0.804 87 E CB -0.448 29.239 29.700 -0.022 0.000 0.745 87 E HN 0.673 nan 8.360 nan 0.000 0.458 88 G N 0.864 109.513 108.800 -0.253 0.000 2.408 88 G HA2 -0.198 3.761 3.960 -0.003 0.000 0.217 88 G HA3 -0.198 3.761 3.960 -0.003 0.000 0.217 88 G C 1.718 176.343 174.900 -0.458 0.000 1.150 88 G CA 0.534 45.442 45.100 -0.319 0.000 0.776 88 G HN 0.104 nan 8.290 nan 0.000 0.542 89 V N 0.801 120.338 119.914 -0.629 0.000 2.302 89 V HA -0.013 4.106 4.120 -0.003 0.000 0.243 89 V C 2.884 178.686 176.094 -0.485 0.000 1.036 89 V CA 1.134 63.021 62.300 -0.688 0.000 1.020 89 V CB -0.419 30.791 31.823 -1.021 0.000 0.657 89 V HN 0.312 nan 8.190 nan 0.000 0.453 90 L N -0.263 120.719 121.223 -0.402 0.000 2.012 90 L HA -0.206 4.132 4.340 -0.003 0.000 0.210 90 L C 2.658 179.532 176.870 0.007 0.000 1.073 90 L CA 2.061 56.737 54.840 -0.274 0.000 0.748 90 L CB -1.196 40.640 42.059 -0.372 0.000 0.891 90 L HN 0.335 nan 8.230 nan 0.000 0.431 91 T N -0.580 113.920 114.554 -0.090 0.000 2.665 91 T HA -0.228 4.120 4.350 -0.003 0.000 0.268 91 T C 2.084 176.640 174.700 -0.240 0.000 1.035 91 T CA 1.528 63.574 62.100 -0.090 0.000 1.151 91 T CB -0.169 68.618 68.868 -0.136 0.000 0.862 91 T HN 0.276 nan 8.240 nan 0.000 0.438 92 R N 0.894 121.106 120.500 -0.479 0.000 2.075 92 R HA -0.063 4.275 4.340 -0.003 0.000 0.232 92 R C 3.001 178.658 176.300 -1.071 0.000 1.126 92 R CA 1.680 57.209 56.100 -0.951 0.000 0.963 92 R CB -0.326 29.244 30.300 -1.217 0.000 0.858 92 R HN 0.487 nan 8.270 nan 0.000 0.435 93 S N 0.636 115.942 115.700 -0.657 0.000 2.383 93 S HA -0.071 4.397 4.470 -0.003 0.000 0.227 93 S C 2.225 176.902 174.600 0.128 0.000 1.026 93 S CA 0.890 58.832 58.200 -0.431 0.000 0.981 93 S CB -0.219 62.757 63.200 -0.374 0.000 0.818 93 S HN 0.360 nan 8.310 nan 0.000 0.472 94 A N 2.325 125.328 122.820 0.305 0.000 1.877 94 A HA 0.212 4.530 4.320 -0.003 0.000 0.216 94 A C 2.422 180.227 177.584 0.367 0.000 1.186 94 A CA 1.612 53.917 52.037 0.448 0.000 0.620 94 A CB -1.831 17.320 19.000 0.251 0.000 0.822 94 A HN 0.610 nan 8.150 nan 0.000 0.443 95 G N -1.116 107.744 108.800 0.099 0.000 2.514 95 G HA2 -0.277 3.682 3.960 -0.003 0.000 0.217 95 G HA3 -0.277 3.682 3.960 -0.003 0.000 0.217 95 G C 1.367 176.383 174.900 0.193 0.000 1.198 95 G CA 1.109 46.240 45.100 0.052 0.000 0.780 95 G HN 0.561 nan 8.290 nan 0.000 0.565 96 W N -0.134 121.196 121.300 0.050 0.000 2.338 96 W HA -0.006 4.653 4.660 -0.003 0.000 0.304 96 W C 2.265 178.934 176.519 0.250 0.000 1.212 96 W CA 0.232 57.599 57.345 0.036 0.000 1.264 96 W CB -1.388 27.917 29.460 -0.258 0.000 1.142 96 W HN 0.426 nan 8.180 nan 0.000 0.512 97 W N 1.244 122.841 121.300 0.494 0.000 2.355 97 W HA -0.205 4.454 4.660 -0.002 0.000 0.309 97 W C 2.674 179.382 176.519 0.315 0.000 1.206 97 W CA 2.392 60.054 57.345 0.527 0.000 1.284 97 W CB -0.731 29.154 29.460 0.708 0.000 1.145 97 W HN -0.191 nan 8.180 nan 0.000 0.502 98 R N 0.198 120.779 120.500 0.136 0.000 2.159 98 R HA -0.151 4.188 4.340 -0.003 0.000 0.237 98 R C 0.942 177.131 176.300 -0.184 0.000 1.131 98 R CA 1.911 57.876 56.100 -0.225 0.000 0.982 98 R CB -0.456 29.873 30.300 0.047 0.000 0.868 98 R HN 0.048 nan 8.270 nan 0.000 0.453 99 D N -1.015 119.380 120.400 -0.008 0.000 2.325 99 D HA 0.148 4.787 4.640 -0.003 0.000 0.225 99 D C 0.464 176.765 176.300 0.002 0.000 1.096 99 D CA 0.793 54.800 54.000 0.011 0.000 0.844 99 D CB 0.640 41.492 40.800 0.086 0.000 0.925 99 D HN 0.406 nan 8.370 nan 0.000 0.513 100 G N 1.506 110.279 108.800 -0.046 0.000 2.221 100 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.265 100 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.265 100 G C 0.907 175.858 174.900 0.085 0.000 1.041 100 G CA 0.369 45.459 45.100 -0.016 0.000 0.807 100 G HN 0.386 nan 8.290 nan 0.000 0.502 101 K N -1.426 119.083 120.400 0.183 0.000 2.402 101 K HA 0.411 4.730 4.320 -0.003 0.000 0.204 101 K C 0.211 177.049 176.600 0.396 0.000 1.056 101 K CA -0.257 56.142 56.287 0.188 0.000 1.069 101 K CB 0.739 33.280 32.500 0.069 0.000 0.888 101 K HN 0.234 nan 8.250 nan 0.000 0.546 102 F N 0.943 121.065 119.950 0.288 0.000 2.556 102 F HA 0.368 4.893 4.527 -0.003 0.000 0.384 102 F C 0.293 176.471 175.800 0.630 0.000 1.493 102 F CA -1.168 57.088 58.000 0.428 0.000 1.119 102 F CB 0.483 39.811 39.000 0.547 0.000 1.280 102 F HN -0.097 nan 8.300 nan 0.000 0.525 103 G N 1.034 110.105 108.800 0.452 0.000 2.557 103 G HA2 0.346 4.304 3.960 -0.003 0.000 0.292 103 G HA3 0.346 4.304 3.960 -0.003 0.000 0.292 103 G C -1.744 173.237 174.900 0.134 0.000 1.237 103 G CA -1.250 44.065 45.100 0.358 0.000 0.978 103 G HN 0.038 nan 8.290 nan 0.000 0.498 104 P HA -0.069 nan 4.420 nan 0.000 0.219 104 P C 0.965 178.215 177.300 -0.083 0.000 1.146 104 P CA 1.052 63.976 63.100 -0.293 0.000 0.808 104 P CB 0.253 31.685 31.700 -0.447 0.000 0.779 105 D N -1.277 119.100 120.400 -0.039 0.000 2.178 105 D HA -0.076 4.563 4.640 -0.003 0.000 0.202 105 D C 1.963 178.266 176.300 0.006 0.000 0.974 105 D CA 0.797 54.789 54.000 -0.013 0.000 0.841 105 D CB -0.580 40.218 40.800 -0.002 0.000 0.953 105 D HN 0.024 nan 8.370 nan 0.000 0.478 106 V N 0.750 120.680 119.914 0.027 0.000 2.323 106 V HA -0.175 3.943 4.120 -0.003 0.000 0.244 106 V C 2.309 178.403 176.094 -0.000 0.000 1.041 106 V CA 0.837 63.155 62.300 0.030 0.000 1.025 106 V CB -0.211 31.661 31.823 0.081 0.000 0.656 106 V HN 0.072 nan 8.190 nan 0.000 0.451 107 I N 0.060 120.618 120.570 -0.020 0.000 2.264 107 I HA -0.207 3.962 4.170 -0.003 0.000 0.248 107 I C 2.552 178.684 176.117 0.025 0.000 1.111 107 I CA 1.490 62.794 61.300 0.008 0.000 1.382 107 I CB -0.690 37.381 38.000 0.118 0.000 1.060 107 I HN 0.202 nan 8.210 nan 0.000 0.418 108 R N 0.496 120.997 120.500 0.002 0.000 2.091 108 R HA -0.200 4.139 4.340 -0.003 0.000 0.238 108 R C 1.938 178.230 176.300 -0.013 0.000 1.136 108 R CA 1.546 57.635 56.100 -0.018 0.000 0.959 108 R CB -0.024 30.259 30.300 -0.028 0.000 0.856 108 R HN 0.296 nan 8.270 nan 0.000 0.437 109 E N -0.126 120.074 120.200 -0.000 0.000 2.170 109 E HA -0.065 4.283 4.350 -0.003 0.000 0.191 109 E C 2.089 178.698 176.600 0.016 0.000 0.981 109 E CA 0.674 57.076 56.400 0.003 0.000 0.830 109 E CB -0.046 29.657 29.700 0.005 0.000 0.775 109 E HN 0.199 nan 8.360 nan 0.000 0.470 110 V N 1.787 121.721 119.914 0.033 0.000 2.358 110 V HA -0.220 3.898 4.120 -0.003 0.000 0.246 110 V C 2.446 178.574 176.094 0.058 0.000 1.047 110 V CA 1.828 64.162 62.300 0.057 0.000 1.035 110 V CB -0.873 31.006 31.823 0.093 0.000 0.658 110 V HN 0.233 nan 8.190 nan 0.000 0.452 111 A N -0.130 122.721 122.820 0.051 0.000 1.933 111 A HA -0.253 4.065 4.320 -0.003 0.000 0.218 111 A C 2.416 179.996 177.584 -0.006 0.000 1.175 111 A CA 2.011 54.069 52.037 0.036 0.000 0.628 111 A CB -0.580 18.425 19.000 0.007 0.000 0.814 111 A HN 0.471 nan 8.150 nan 0.000 0.444 112 R N -0.489 119.999 120.500 -0.020 0.000 2.081 112 R HA -0.119 4.220 4.340 -0.003 0.000 0.235 112 R C 2.314 178.609 176.300 -0.007 0.000 1.131 112 R CA 1.408 57.490 56.100 -0.030 0.000 0.960 112 R CB -0.356 29.927 30.300 -0.028 0.000 0.856 112 R HN 0.472 nan 8.270 nan 0.000 0.436 113 A N 0.035 122.861 122.820 0.009 0.000 1.873 113 A HA -0.088 4.231 4.320 -0.003 0.000 0.215 113 A C 2.227 179.829 177.584 0.030 0.000 1.186 113 A CA 1.488 53.536 52.037 0.019 0.000 0.616 113 A CB -0.506 18.509 19.000 0.024 0.000 0.823 113 A HN 0.212 nan 8.150 nan 0.000 0.442 114 V N 0.173 120.113 119.914 0.044 0.000 2.427 114 V HA -0.219 3.899 4.120 -0.003 0.000 0.248 114 V C 2.519 178.648 176.094 0.057 0.000 1.051 114 V CA 1.774 64.110 62.300 0.060 0.000 1.048 114 V CB -0.786 31.087 31.823 0.084 0.000 0.666 114 V HN 0.537 nan 8.190 nan 0.000 0.456 115 L N -0.793 120.454 121.223 0.039 0.000 2.141 115 L HA -0.149 4.190 4.340 -0.003 0.000 0.209 115 L C 2.393 179.276 176.870 0.022 0.000 1.094 115 L CA 0.983 55.841 54.840 0.030 0.000 0.763 115 L CB -0.483 41.562 42.059 -0.023 0.000 0.908 115 L HN 0.338 nan 8.230 nan 0.000 0.437 116 L N 0.155 121.386 121.223 0.012 0.000 2.072 116 L HA -0.181 4.157 4.340 -0.003 0.000 0.205 116 L C 2.470 179.352 176.870 0.020 0.000 1.079 116 L CA 1.709 56.554 54.840 0.009 0.000 0.752 116 L CB -0.633 41.427 42.059 0.002 0.000 0.906 116 L HN 0.285 nan 8.230 nan 0.000 0.436 117 E N -0.866 119.353 120.200 0.031 0.000 2.097 117 E HA -0.249 4.100 4.350 -0.003 0.000 0.196 117 E C 1.987 178.619 176.600 0.054 0.000 1.000 117 E CA 1.660 58.086 56.400 0.043 0.000 0.804 117 E CB -0.049 29.682 29.700 0.051 0.000 0.740 117 E HN 0.601 nan 8.360 nan 0.000 0.454 118 S N 0.803 116.539 115.700 0.060 0.000 2.353 118 S HA -0.164 4.304 4.470 -0.003 0.000 0.222 118 S C 2.013 176.649 174.600 0.059 0.000 1.035 118 S CA 1.317 59.561 58.200 0.074 0.000 1.025 118 S CB -0.364 62.886 63.200 0.083 0.000 0.902 118 S HN 0.288 nan 8.310 nan 0.000 0.440 119 L N 1.033 122.277 121.223 0.035 0.000 2.042 119 L HA -0.124 4.214 4.340 -0.003 0.000 0.210 119 L C 2.148 179.010 176.870 -0.014 0.000 1.076 119 L CA 1.104 55.949 54.840 0.008 0.000 0.749 119 L CB -0.554 41.502 42.059 -0.004 0.000 0.893 119 L HN 0.296 nan 8.230 nan 0.000 0.432 120 L N -0.743 120.480 121.223 0.000 0.000 2.376 120 L HA -0.048 4.290 4.340 -0.003 0.000 0.219 120 L C 2.046 178.924 176.870 0.014 0.000 1.133 120 L CA 0.729 55.562 54.840 -0.011 0.000 0.816 120 L CB -0.591 41.471 42.059 0.005 0.000 0.933 120 L HN 0.284 nan 8.230 nan 0.000 0.449 121 G N -1.452 107.388 108.800 0.065 0.000 3.284 121 G HA2 0.321 4.279 3.960 -0.003 0.000 0.236 121 G HA3 0.321 4.279 3.960 -0.003 0.000 0.236 121 G C 1.188 176.226 174.900 0.229 0.000 1.158 121 G CA 0.386 45.583 45.100 0.162 0.000 0.774 121 G HN 0.412 nan 8.290 nan 0.000 0.545 122 G N 0.057 108.884 108.800 0.046 0.000 2.159 122 G HA2 -0.278 3.681 3.960 -0.003 0.000 0.256 122 G HA3 -0.278 3.681 3.960 -0.003 0.000 0.256 122 G C 0.305 175.271 174.900 0.111 0.000 0.977 122 G CA 0.198 45.290 45.100 -0.013 0.000 0.652 122 G HN 0.494 nan 8.290 nan 0.000 0.531 123 I N 1.786 122.421 120.570 0.109 0.000 2.352 123 I HA 0.377 4.545 4.170 -0.003 0.000 0.290 123 I C 1.684 177.843 176.117 0.071 0.000 1.036 123 I CA 0.453 61.817 61.300 0.105 0.000 1.336 123 I CB 1.480 39.547 38.000 0.111 0.000 1.407 123 I HN 0.234 nan 8.210 nan 0.000 0.497 124 T N -0.499 114.095 114.554 0.067 0.000 2.971 124 T HA 0.171 4.520 4.350 -0.003 0.000 0.252 124 T C 0.632 175.373 174.700 0.069 0.000 1.022 124 T CA 0.049 62.182 62.100 0.055 0.000 0.980 124 T CB 0.249 69.143 68.868 0.044 0.000 1.044 124 T HN 0.485 nan 8.240 nan 0.000 0.501 125 T N 1.728 116.320 114.554 0.063 0.000 2.881 125 T HA 0.683 5.031 4.350 -0.003 0.000 0.290 125 T C -1.271 173.464 174.700 0.057 0.000 1.000 125 T CA -0.529 61.608 62.100 0.061 0.000 0.978 125 T CB 2.376 71.238 68.868 -0.011 0.000 0.997 125 T HN 0.051 nan 8.240 nan 0.000 0.443 126 V N 2.113 122.099 119.914 0.121 0.000 2.588 126 V HA 0.795 4.914 4.120 -0.003 0.000 0.304 126 V C -0.259 175.836 176.094 0.002 0.000 1.042 126 V CA -0.970 61.398 62.300 0.114 0.000 0.877 126 V CB 1.812 33.781 31.823 0.244 0.000 0.996 126 V HN 1.090 nan 8.190 nan 0.000 0.425 127 A N 3.001 125.783 122.820 -0.064 0.000 2.249 127 A HA 0.681 4.999 4.320 -0.003 0.000 0.314 127 A C -0.651 176.889 177.584 -0.073 0.000 1.290 127 A CA -0.349 51.624 52.037 -0.106 0.000 0.893 127 A CB 0.590 19.577 19.000 -0.022 0.000 1.165 127 A HN 0.830 nan 8.150 nan 0.000 0.530 128 D N 1.498 121.812 120.400 -0.144 0.000 2.193 128 D HA 0.324 4.962 4.640 -0.003 0.000 0.244 128 D C -0.270 176.059 176.300 0.049 0.000 1.064 128 D CA 0.018 54.023 54.000 0.008 0.000 0.845 128 D CB 1.033 41.968 40.800 0.224 0.000 1.148 128 D HN 0.493 nan 8.370 nan 0.000 0.464 129 Q N 3.043 122.883 119.800 0.067 0.000 2.466 129 Q HA 0.184 4.523 4.340 -0.003 0.000 0.242 129 Q C -1.344 174.872 176.000 0.361 0.000 1.046 129 Q CA -0.755 55.173 55.803 0.209 0.000 0.841 129 Q CB 0.456 29.308 28.738 0.190 0.000 1.193 129 Q HN 0.585 nan 8.270 nan 0.000 0.508 130 H N 3.767 122.955 119.070 0.198 0.000 2.519 130 H HA 0.238 4.792 4.556 -0.003 0.000 0.316 130 H C 0.160 175.514 175.328 0.042 0.000 1.065 130 H CA -0.619 55.472 56.048 0.071 0.000 1.264 130 H CB 0.808 30.573 29.762 0.005 0.000 1.413 130 H HN 0.627 nan 8.280 nan 0.000 0.465 131 L N 2.936 123.937 121.223 -0.370 0.000 2.858 131 L HA 0.359 4.697 4.340 -0.003 0.000 0.251 131 L C -0.211 176.486 176.870 -0.288 0.000 1.149 131 L CA -0.233 54.541 54.840 -0.110 0.000 0.955 131 L CB -0.700 41.328 42.059 -0.052 0.000 1.289 131 L HN 0.368 nan 8.230 nan 0.000 0.542 132 F N 2.144 121.411 119.950 -1.138 0.000 2.464 132 F HA 0.526 5.051 4.527 -0.003 0.000 0.353 132 F C -0.749 174.484 175.800 -0.946 0.000 1.191 132 F CA -0.948 56.485 58.000 -0.945 0.000 1.147 132 F CB 0.032 38.272 39.000 -1.266 0.000 1.294 132 F HN -0.055 nan 8.300 nan 0.000 0.583 133 F N 6.716 126.340 119.950 -0.543 0.000 2.584 133 F HA 0.368 4.893 4.527 -0.003 0.000 0.328 133 F C -2.358 173.102 175.800 -0.565 0.000 1.407 133 F CA -2.199 55.548 58.000 -0.422 0.000 1.145 133 F CB 0.012 38.933 39.000 -0.133 0.000 1.440 133 F HN 0.272 nan 8.300 nan 0.000 0.580 134 P HA 0.544 nan 4.420 nan 0.000 0.274 134 P C 0.533 177.417 177.300 -0.693 0.000 1.237 134 P CA 0.179 62.644 63.100 -1.058 0.000 0.793 134 P CB 1.218 31.683 31.700 -2.057 0.000 0.977 135 G N 0.087 108.622 108.800 -0.442 0.000 2.526 135 G HA2 0.120 4.078 3.960 -0.003 0.000 0.250 135 G HA3 0.120 4.078 3.960 -0.003 0.000 0.250 135 G C 0.279 175.163 174.900 -0.027 0.000 1.289 135 G CA -0.143 44.924 45.100 -0.054 0.000 0.947 135 G HN 0.566 nan 8.290 nan 0.000 0.517 136 A N -0.846 121.995 122.820 0.036 0.000 2.308 136 A HA 0.682 5.001 4.320 -0.003 0.000 0.217 136 A C 1.278 178.862 177.584 -0.000 0.000 1.216 136 A CA 2.146 54.191 52.037 0.013 0.000 0.864 136 A CB -0.222 18.796 19.000 0.030 0.000 0.902 136 A HN 2.432 nan 8.150 nan 0.000 0.499 137 T N -3.993 110.564 114.554 0.005 0.000 2.896 137 T HA 0.655 5.003 4.350 -0.003 0.000 0.297 137 T C -0.453 174.221 174.700 -0.043 0.000 1.108 137 T CA -0.089 61.996 62.100 -0.024 0.000 1.004 137 T CB 1.600 70.466 68.868 -0.003 0.000 1.159 137 T HN 0.763 nan 8.240 nan 0.000 0.499 138 A N 2.448 125.177 122.820 -0.153 0.000 2.437 138 A HA 0.474 4.792 4.320 -0.003 0.000 0.303 138 A C 0.378 177.908 177.584 -0.090 0.000 1.324 138 A CA -0.420 51.464 52.037 -0.255 0.000 0.983 138 A CB -0.664 17.820 19.000 -0.860 0.000 1.142 138 A HN 0.883 nan 8.150 nan 0.000 0.541 139 D N 1.541 122.054 120.400 0.188 0.000 2.380 139 D HA 0.126 4.764 4.640 -0.003 0.000 0.254 139 D C 1.251 177.622 176.300 0.119 0.000 1.288 139 D CA 0.628 54.685 54.000 0.096 0.000 1.008 139 D CB 0.735 41.539 40.800 0.006 0.000 1.099 139 D HN 0.461 nan 8.370 nan 0.000 0.537 140 S N 0.121 115.786 115.700 -0.059 0.000 2.667 140 S HA 0.063 4.531 4.470 -0.003 0.000 0.251 140 S C 1.137 175.698 174.600 -0.064 0.000 1.075 140 S CA -0.377 57.836 58.200 0.022 0.000 1.130 140 S CB -0.709 62.494 63.200 0.005 0.000 0.795 140 S HN 0.386 nan 8.310 nan 0.000 0.462 141 Y N 1.453 121.782 120.300 0.048 0.000 2.145 141 Y HA -0.079 4.469 4.550 -0.003 0.000 0.286 141 Y C 2.341 178.109 175.900 -0.220 0.000 1.145 141 Y CA 1.082 59.045 58.100 -0.229 0.000 1.148 141 Y CB -0.418 37.631 38.460 -0.684 0.000 0.981 141 Y HN 0.354 nan 8.280 nan 0.000 0.507 142 I N 0.277 120.934 120.570 0.146 0.000 2.226 142 I HA -0.267 3.901 4.170 -0.003 0.000 0.245 142 I C 1.551 177.669 176.117 0.002 0.000 1.100 142 I CA 1.669 63.039 61.300 0.117 0.000 1.374 142 I CB -1.330 36.809 38.000 0.233 0.000 1.057 142 I HN 0.256 nan 8.210 nan 0.000 0.413 143 D N 1.562 121.981 120.400 0.032 0.000 2.158 143 D HA -0.167 4.471 4.640 -0.003 0.000 0.197 143 D C 2.259 178.524 176.300 -0.059 0.000 0.995 143 D CA 1.621 55.606 54.000 -0.026 0.000 0.846 143 D CB -0.110 40.777 40.800 0.146 0.000 0.941 143 D HN 0.370 nan 8.370 nan 0.000 0.456 144 A N 0.392 123.185 122.820 -0.044 0.000 1.929 144 A HA -0.131 4.187 4.320 -0.003 0.000 0.216 144 A C 2.334 179.867 177.584 -0.085 0.000 1.176 144 A CA 2.071 54.072 52.037 -0.059 0.000 0.628 144 A CB -1.132 17.830 19.000 -0.063 0.000 0.816 144 A HN 0.382 nan 8.150 nan 0.000 0.444 145 T N -1.329 113.181 114.554 -0.074 0.000 2.821 145 T HA -0.064 4.285 4.350 -0.003 0.000 0.267 145 T C 1.830 176.318 174.700 -0.354 0.000 1.046 145 T CA 1.429 63.455 62.100 -0.123 0.000 1.139 145 T CB -0.590 68.339 68.868 0.102 0.000 0.871 145 T HN 0.334 nan 8.240 nan 0.000 0.454 146 I N 1.410 121.847 120.570 -0.221 0.000 2.226 146 I HA -0.130 4.039 4.170 -0.003 0.000 0.245 146 I C 2.857 178.837 176.117 -0.228 0.000 1.100 146 I CA 1.582 62.724 61.300 -0.263 0.000 1.374 146 I CB -0.426 37.367 38.000 -0.344 0.000 1.057 146 I HN 0.355 nan 8.210 nan 0.000 0.413 147 E N 1.054 121.160 120.200 -0.156 0.000 2.077 147 E HA -0.206 4.143 4.350 -0.003 0.000 0.193 147 E C 2.374 178.905 176.600 -0.115 0.000 0.989 147 E CA 1.280 57.628 56.400 -0.088 0.000 0.800 147 E CB -0.199 29.475 29.700 -0.043 0.000 0.746 147 E HN 0.513 nan 8.360 nan 0.000 0.452 148 A N 1.588 124.313 122.820 -0.158 0.000 1.883 148 A HA -0.159 4.159 4.320 -0.003 0.000 0.217 148 A C 2.410 179.874 177.584 -0.201 0.000 1.186 148 A CA 1.858 53.800 52.037 -0.158 0.000 0.624 148 A CB -0.731 18.172 19.000 -0.161 0.000 0.822 148 A HN 0.301 nan 8.150 nan 0.000 0.444 149 A N -0.456 122.152 122.820 -0.352 0.000 1.930 149 A HA -0.076 4.243 4.320 -0.003 0.000 0.217 149 A C 2.444 179.934 177.584 -0.157 0.000 1.175 149 A CA 2.497 54.325 52.037 -0.350 0.000 0.627 149 A CB -1.334 17.223 19.000 -0.738 0.000 0.815 149 A HN 0.789 nan 8.150 nan 0.000 0.443 150 T N -2.432 112.049 114.554 -0.122 0.000 2.857 150 T HA -0.126 4.222 4.350 -0.003 0.000 0.266 150 T C 1.353 176.033 174.700 -0.034 0.000 1.048 150 T CA 1.483 63.558 62.100 -0.042 0.000 1.139 150 T CB -0.454 68.410 68.868 -0.007 0.000 0.874 150 T HN 0.314 nan 8.240 nan 0.000 0.455 151 D N 1.568 121.939 120.400 -0.048 0.000 2.123 151 D HA 0.006 4.644 4.640 -0.003 0.000 0.196 151 D C 2.058 178.338 176.300 -0.033 0.000 0.992 151 D CA 0.900 54.879 54.000 -0.035 0.000 0.833 151 D CB -0.339 40.438 40.800 -0.039 0.000 0.954 151 D HN 0.392 nan 8.370 nan 0.000 0.455 152 L N -0.755 120.441 121.223 -0.045 0.000 2.240 152 L HA 0.094 4.432 4.340 -0.003 0.000 0.211 152 L C 1.577 178.434 176.870 -0.022 0.000 1.106 152 L CA 0.718 55.537 54.840 -0.035 0.000 0.793 152 L CB -0.239 41.794 42.059 -0.043 0.000 0.927 152 L HN 0.174 nan 8.230 nan 0.000 0.446 153 G N 0.960 109.748 108.800 -0.019 0.000 2.137 153 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.237 153 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.237 153 G C 0.098 175.007 174.900 0.014 0.000 1.002 153 G CA 0.137 45.236 45.100 -0.001 0.000 0.702 153 G HN 0.310 nan 8.290 nan 0.000 0.515 154 I N 0.177 120.755 120.570 0.014 0.000 2.472 154 I HA 0.532 4.700 4.170 -0.003 0.000 0.290 154 I C 0.979 177.159 176.117 0.105 0.000 1.016 154 I CA -1.233 60.096 61.300 0.049 0.000 1.348 154 I CB 0.654 38.681 38.000 0.044 0.000 1.417 154 I HN 0.200 nan 8.210 nan 0.000 0.521 155 R N 5.849 126.429 120.500 0.134 0.000 2.491 155 R HA 0.256 4.595 4.340 -0.003 0.000 0.283 155 R C -1.714 174.773 176.300 0.311 0.000 1.072 155 R CA -0.043 56.169 56.100 0.187 0.000 1.048 155 R CB 0.638 31.026 30.300 0.148 0.000 0.983 155 R HN 0.531 nan 8.270 nan 0.000 0.450 156 F N 3.734 123.765 119.950 0.135 0.000 2.573 156 F HA 0.338 4.863 4.527 -0.003 0.000 0.316 156 F C -1.115 174.819 175.800 0.223 0.000 1.148 156 F CA -0.568 57.519 58.000 0.144 0.000 0.940 156 F CB 1.468 40.506 39.000 0.063 0.000 1.214 156 F HN 0.548 nan 8.300 nan 0.000 0.448 157 H N 4.134 122.899 119.070 -0.509 0.000 2.466 157 H HA 0.732 5.287 4.556 -0.003 0.000 0.338 157 H C -0.877 174.026 175.328 -0.708 0.000 1.091 157 H CA -1.052 54.748 56.048 -0.414 0.000 1.207 157 H CB 1.910 31.551 29.762 -0.202 0.000 1.466 157 H HN 0.706 nan 8.280 nan 0.000 0.493 158 A N 2.796 125.398 122.820 -0.364 0.000 2.277 158 A HA 0.558 4.877 4.320 -0.003 0.000 0.318 158 A C -0.022 177.538 177.584 -0.039 0.000 1.339 158 A CA -0.639 51.251 52.037 -0.245 0.000 0.875 158 A CB 0.283 19.226 19.000 -0.095 0.000 1.158 158 A HN 0.759 nan 8.150 nan 0.000 0.514 159 A N 3.609 126.446 122.820 0.029 0.000 2.391 159 A HA 0.480 4.798 4.320 -0.003 0.000 0.316 159 A C 0.605 178.248 177.584 0.100 0.000 1.381 159 A CA -0.582 51.491 52.037 0.060 0.000 0.998 159 A CB -0.076 18.988 19.000 0.106 0.000 1.147 159 A HN 0.725 nan 8.150 nan 0.000 0.545 160 R N 2.323 122.859 120.500 0.059 0.000 2.421 160 R HA 0.197 4.535 4.340 -0.003 0.000 0.305 160 R C -0.037 176.381 176.300 0.196 0.000 1.039 160 R CA 0.581 56.779 56.100 0.164 0.000 1.003 160 R CB 0.379 30.712 30.300 0.055 0.000 0.959 160 R HN 0.682 nan 8.270 nan 0.000 0.427 161 S N 1.628 117.527 115.700 0.331 0.000 2.766 161 S HA 0.775 5.243 4.470 -0.003 0.000 0.307 161 S C -0.999 173.788 174.600 0.312 0.000 1.121 161 S CA -0.022 58.343 58.200 0.275 0.000 0.980 161 S CB 1.034 64.375 63.200 0.234 0.000 1.159 161 S HN 0.802 nan 8.310 nan 0.000 0.546 162 S N 0.294 116.124 115.700 0.216 0.000 2.656 162 S HA 0.544 5.012 4.470 -0.003 0.000 0.265 162 S C -1.660 173.016 174.600 0.125 0.000 1.132 162 S CA -0.913 57.399 58.200 0.187 0.000 0.819 162 S CB 0.708 63.997 63.200 0.147 0.000 1.119 162 S HN 0.600 nan 8.310 nan 0.000 0.476 163 M N 2.213 121.885 119.600 0.121 0.000 1.956 163 M HA 0.274 4.753 4.480 -0.003 0.000 0.256 163 M C 0.427 176.804 176.300 0.129 0.000 0.869 163 M CA -0.406 54.974 55.300 0.133 0.000 0.886 163 M CB 1.652 34.319 32.600 0.112 0.000 1.739 163 M HN 0.970 nan 8.290 nan 0.000 0.381 164 T N -1.055 113.565 114.554 0.109 0.000 3.100 164 T HA 0.165 4.513 4.350 -0.003 0.000 0.253 164 T C 0.361 175.113 174.700 0.087 0.000 1.118 164 T CA 0.084 62.228 62.100 0.074 0.000 1.058 164 T CB 0.251 69.137 68.868 0.029 0.000 0.953 164 T HN 0.386 nan 8.240 nan 0.000 0.515 165 L N 2.888 124.185 121.223 0.122 0.000 2.264 165 L HA 0.696 5.035 4.340 -0.003 0.000 0.287 165 L C 0.504 177.440 176.870 0.110 0.000 1.039 165 L CA -0.672 54.235 54.840 0.112 0.000 0.829 165 L CB 0.363 42.495 42.059 0.123 0.000 1.211 165 L HN 0.239 nan 8.230 nan 0.000 0.427 166 G N 2.827 111.674 108.800 0.079 0.000 2.503 166 G HA2 0.106 4.064 3.960 -0.003 0.000 0.257 166 G HA3 0.106 4.064 3.960 -0.003 0.000 0.257 166 G C 0.562 175.494 174.900 0.053 0.000 1.214 166 G CA -0.359 44.783 45.100 0.069 0.000 0.839 166 G HN 0.829 nan 8.290 nan 0.000 0.559 167 K N 0.247 120.671 120.400 0.040 0.000 2.281 167 K HA -0.170 4.149 4.320 -0.003 0.000 0.203 167 K C 2.514 179.102 176.600 -0.020 0.000 1.046 167 K CA 1.744 58.025 56.287 -0.009 0.000 0.938 167 K CB -0.066 32.409 32.500 -0.043 0.000 0.737 167 K HN 0.513 nan 8.250 nan 0.000 0.458 168 S N 0.527 116.226 115.700 -0.003 0.000 2.474 168 S HA -0.142 4.326 4.470 -0.003 0.000 0.235 168 S C 0.760 175.359 174.600 -0.002 0.000 0.997 168 S CA 1.105 59.302 58.200 -0.006 0.000 0.949 168 S CB -0.211 62.989 63.200 -0.000 0.000 0.766 168 S HN 0.571 nan 8.310 nan 0.000 0.517 169 E N -0.882 119.321 120.200 0.006 0.000 3.729 169 E HA 0.495 4.843 4.350 -0.003 0.000 0.195 169 E C 0.793 177.395 176.600 0.003 0.000 1.005 169 E CA -0.092 56.310 56.400 0.003 0.000 1.356 169 E CB 0.198 29.902 29.700 0.007 0.000 1.138 169 E HN 0.468 nan 8.360 nan 0.000 0.450 170 G N 0.507 109.318 108.800 0.019 0.000 2.278 170 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.210 170 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.210 170 G C 0.653 175.615 174.900 0.102 0.000 1.000 170 G CA -0.425 44.708 45.100 0.055 0.000 0.635 170 G HN 0.621 nan 8.290 nan 0.000 0.495 171 G N -0.001 108.848 108.800 0.082 0.000 2.380 171 G HA2 0.417 4.375 3.960 -0.003 0.000 0.242 171 G HA3 0.417 4.375 3.960 -0.003 0.000 0.242 171 G C -0.135 174.878 174.900 0.188 0.000 1.298 171 G CA -0.312 44.873 45.100 0.142 0.000 0.878 171 G HN 0.336 nan 8.290 nan 0.000 0.542 172 F N 2.046 122.024 119.950 0.048 0.000 2.626 172 F HA 0.401 4.927 4.527 -0.002 0.000 0.353 172 F C 0.848 176.739 175.800 0.151 0.000 1.230 172 F CA -0.187 57.865 58.000 0.088 0.000 1.298 172 F CB 0.249 39.301 39.000 0.086 0.000 1.670 172 F HN 0.542 nan 8.300 nan 0.000 0.633 173 C N 1.947 121.349 119.300 0.169 0.000 3.274 173 C HA 0.236 4.695 4.460 -0.003 0.000 0.415 173 C C -1.252 173.829 174.990 0.152 0.000 1.009 173 C CA -1.230 57.892 59.018 0.173 0.000 1.163 173 C CB 0.028 27.893 27.740 0.208 0.000 1.549 173 C HN 0.623 nan 8.230 nan 0.000 0.599 174 D N 3.239 123.765 120.400 0.210 0.000 2.372 174 D HA 0.275 4.913 4.640 -0.003 0.000 0.243 174 D C 0.401 176.787 176.300 0.143 0.000 1.121 174 D CA 0.047 54.139 54.000 0.154 0.000 0.898 174 D CB 0.769 41.660 40.800 0.151 0.000 1.202 174 D HN 0.579 nan 8.370 nan 0.000 0.428 175 D N 0.521 120.949 120.400 0.047 0.000 2.378 175 D HA -0.043 4.595 4.640 -0.003 0.000 0.227 175 D C 1.610 177.877 176.300 -0.054 0.000 1.012 175 D CA 0.074 54.086 54.000 0.020 0.000 0.905 175 D CB -0.023 40.781 40.800 0.006 0.000 0.895 175 D HN 0.354 nan 8.370 nan 0.000 0.532 176 L N -0.698 120.431 121.223 -0.157 0.000 2.083 176 L HA -0.143 4.196 4.340 -0.003 0.000 0.209 176 L C 1.107 177.698 176.870 -0.466 0.000 1.083 176 L CA 1.349 55.964 54.840 -0.375 0.000 0.752 176 L CB -0.054 41.640 42.059 -0.609 0.000 0.899 176 L HN -0.004 nan 8.230 nan 0.000 0.433 177 F N -1.094 118.810 119.950 -0.077 0.000 2.776 177 F HA 0.135 4.661 4.527 -0.002 0.000 0.300 177 F C 0.808 176.576 175.800 -0.053 0.000 1.116 177 F CA -0.460 57.481 58.000 -0.099 0.000 1.375 177 F CB 0.024 38.992 39.000 -0.054 0.000 1.109 177 F HN -0.253 nan 8.300 nan 0.000 0.585 178 V N 1.758 121.735 119.914 0.106 0.000 2.488 178 V HA 0.106 4.225 4.120 -0.003 0.000 0.277 178 V C -0.013 176.098 176.094 0.029 0.000 1.046 178 V CA -0.672 61.676 62.300 0.080 0.000 0.986 178 V CB 0.720 32.585 31.823 0.069 0.000 0.989 178 V HN 0.153 nan 8.190 nan 0.000 0.475 179 E N 5.719 125.936 120.200 0.029 0.000 2.221 179 E HA 0.454 4.803 4.350 -0.003 0.000 0.268 179 E C -2.611 173.985 176.600 -0.008 0.000 0.933 179 E CA -2.113 54.285 56.400 -0.005 0.000 0.809 179 E CB 1.423 31.110 29.700 -0.022 0.000 1.190 179 E HN 0.462 nan 8.360 nan 0.000 0.406 180 P HA -0.065 nan 4.420 nan 0.000 0.268 180 P C 0.740 178.020 177.300 -0.033 0.000 1.205 180 P CA -0.013 63.075 63.100 -0.020 0.000 0.771 180 P CB 0.637 32.324 31.700 -0.021 0.000 0.858 181 V N 1.990 121.880 119.914 -0.040 0.000 2.324 181 V HA -0.268 3.850 4.120 -0.003 0.000 0.250 181 V C 1.629 177.677 176.094 -0.077 0.000 1.060 181 V CA 2.149 64.404 62.300 -0.076 0.000 1.042 181 V CB -0.878 30.895 31.823 -0.084 0.000 0.650 181 V HN 0.576 nan 8.190 nan 0.000 0.450 182 D N -0.688 119.682 120.400 -0.049 0.000 2.178 182 D HA -0.159 4.479 4.640 -0.003 0.000 0.201 182 D C 2.296 178.581 176.300 -0.025 0.000 0.980 182 D CA 1.076 55.055 54.000 -0.035 0.000 0.842 182 D CB -0.295 40.493 40.800 -0.021 0.000 0.948 182 D HN 0.346 nan 8.370 nan 0.000 0.472 183 R N 0.549 121.031 120.500 -0.031 0.000 2.081 183 R HA -0.103 4.236 4.340 -0.003 0.000 0.235 183 R C 2.000 178.285 176.300 -0.026 0.000 1.131 183 R CA 0.934 57.013 56.100 -0.035 0.000 0.960 183 R CB -0.142 30.123 30.300 -0.058 0.000 0.856 183 R HN 0.035 nan 8.270 nan 0.000 0.436 184 V N 0.291 120.187 119.914 -0.030 0.000 2.307 184 V HA -0.207 3.911 4.120 -0.003 0.000 0.245 184 V C 2.417 178.565 176.094 0.090 0.000 1.045 184 V CA 1.558 63.866 62.300 0.013 0.000 1.024 184 V CB -0.257 31.571 31.823 0.008 0.000 0.651 184 V HN 0.173 nan 8.190 nan 0.000 0.449 185 V N -0.185 119.748 119.914 0.032 0.000 2.295 185 V HA -0.357 3.761 4.120 -0.003 0.000 0.246 185 V C 2.447 178.581 176.094 0.067 0.000 1.049 185 V CA 2.481 64.823 62.300 0.071 0.000 1.024 185 V CB -0.714 31.100 31.823 -0.015 0.000 0.648 185 V HN 0.619 nan 8.190 nan 0.000 0.447 186 Q N -0.696 119.129 119.800 0.042 0.000 2.084 186 Q HA -0.280 4.059 4.340 -0.003 0.000 0.202 186 Q C 2.365 178.405 176.000 0.067 0.000 0.978 186 Q CA 2.083 57.910 55.803 0.040 0.000 0.844 186 Q CB -0.292 28.465 28.738 0.030 0.000 0.898 186 Q HN 0.823 nan 8.270 nan 0.000 0.426 187 H N -0.912 118.132 119.070 -0.043 0.000 2.353 187 H HA -0.133 4.421 4.556 -0.003 0.000 0.300 187 H C 1.995 177.299 175.328 -0.040 0.000 1.090 187 H CA 1.387 57.400 56.048 -0.059 0.000 1.327 187 H CB 0.150 29.830 29.762 -0.136 0.000 1.383 187 H HN 0.434 nan 8.280 nan 0.000 0.508 188 C N 0.665 119.926 119.300 -0.066 0.000 2.429 188 C HA -0.113 4.345 4.460 -0.003 0.000 0.277 188 C C 2.965 177.838 174.990 -0.194 0.000 1.262 188 C CA 0.511 59.440 59.018 -0.149 0.000 1.733 188 C CB -1.008 26.721 27.740 -0.018 0.000 2.010 188 C HN 0.500 nan 8.230 nan 0.000 0.483 189 L N 0.960 122.091 121.223 -0.153 0.000 1.989 189 L HA -0.109 4.229 4.340 -0.003 0.000 0.211 189 L C 2.839 179.597 176.870 -0.187 0.000 1.071 189 L CA 1.969 56.669 54.840 -0.233 0.000 0.749 189 L CB -1.251 40.732 42.059 -0.126 0.000 0.890 189 L HN 0.494 nan 8.230 nan 0.000 0.431 190 G N -0.204 108.531 108.800 -0.108 0.000 2.422 190 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.218 190 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.218 190 G C 1.644 176.485 174.900 -0.098 0.000 1.146 190 G CA 0.517 45.571 45.100 -0.077 0.000 0.769 190 G HN 0.216 nan 8.290 nan 0.000 0.547 191 L N -0.032 121.110 121.223 -0.135 0.000 2.046 191 L HA -0.028 4.311 4.340 -0.003 0.000 0.208 191 L C 2.868 179.743 176.870 0.010 0.000 1.077 191 L CA 0.730 55.557 54.840 -0.022 0.000 0.747 191 L CB -0.369 41.618 42.059 -0.121 0.000 0.896 191 L HN 0.207 nan 8.230 nan 0.000 0.432 192 I N 0.091 120.591 120.570 -0.118 0.000 2.127 192 I HA -0.346 3.823 4.170 -0.003 0.000 0.241 192 I C 2.287 178.385 176.117 -0.032 0.000 1.075 192 I CA 1.791 63.016 61.300 -0.125 0.000 1.334 192 I CB -0.391 37.394 38.000 -0.358 0.000 1.040 192 I HN 0.307 nan 8.210 nan 0.000 0.405 193 D N 0.355 120.709 120.400 -0.077 0.000 2.133 193 D HA -0.292 4.346 4.640 -0.003 0.000 0.195 193 D C 2.175 178.440 176.300 -0.059 0.000 0.997 193 D CA 1.656 55.639 54.000 -0.027 0.000 0.840 193 D CB -0.003 40.778 40.800 -0.032 0.000 0.947 193 D HN 0.334 nan 8.370 nan 0.000 0.452 194 Q N -2.088 117.625 119.800 -0.144 0.000 2.123 194 Q HA -0.100 4.238 4.340 -0.003 0.000 0.196 194 Q C 1.164 176.938 176.000 -0.376 0.000 0.958 194 Q CA 0.950 56.547 55.803 -0.343 0.000 0.841 194 Q CB 0.084 28.457 28.738 -0.608 0.000 0.915 194 Q HN 0.406 nan 8.270 nan 0.000 0.455 195 Y N -1.751 118.569 120.300 0.034 0.000 2.535 195 Y HA 0.169 4.718 4.550 -0.003 0.000 0.264 195 Y C 0.274 176.212 175.900 0.064 0.000 1.087 195 Y CA -0.277 57.852 58.100 0.048 0.000 1.285 195 Y CB 0.054 38.546 38.460 0.053 0.000 1.200 195 Y HN 0.128 nan 8.280 nan 0.000 0.514 196 H N 2.310 121.442 119.070 0.104 0.000 2.929 196 H HA 0.145 4.700 4.556 -0.003 0.000 0.317 196 H C -0.568 174.774 175.328 0.024 0.000 1.031 196 H CA 0.302 56.371 56.048 0.035 0.000 1.466 196 H CB 0.348 30.111 29.762 0.002 0.000 1.482 196 H HN 0.214 nan 8.280 nan 0.000 0.561 197 E N 7.576 127.525 120.200 -0.419 0.000 2.256 197 E HA 0.131 4.479 4.350 -0.003 0.000 0.243 197 E C -1.951 174.379 176.600 -0.451 0.000 0.925 197 E CA -1.763 54.458 56.400 -0.299 0.000 0.748 197 E CB 1.366 30.990 29.700 -0.128 0.000 1.206 197 E HN 0.638 nan 8.360 nan 0.000 0.428 198 P HA -0.113 nan 4.420 nan 0.000 0.241 198 P C 0.036 177.249 177.300 -0.144 0.000 1.191 198 P CA 0.540 63.473 63.100 -0.278 0.000 0.771 198 P CB 0.250 31.911 31.700 -0.065 0.000 0.929 199 E N 1.352 121.478 120.200 -0.123 0.000 2.374 199 E HA 0.217 4.565 4.350 -0.003 0.000 0.260 199 E C -2.476 174.040 176.600 -0.141 0.000 1.101 199 E CA -2.515 53.827 56.400 -0.096 0.000 0.907 199 E CB -0.708 28.962 29.700 -0.049 0.000 1.014 199 E HN 0.037 nan 8.360 nan 0.000 0.427 200 P HA -0.059 nan 4.420 nan 0.000 0.265 200 P C -0.594 176.454 177.300 -0.421 0.000 1.187 200 P CA 0.141 62.943 63.100 -0.497 0.000 0.766 200 P CB -0.120 31.140 31.700 -0.733 0.000 0.820 201 F N -0.914 119.032 119.950 -0.006 0.000 2.840 201 F HA -0.175 4.350 4.527 -0.003 0.000 0.310 201 F C 1.273 177.070 175.800 -0.006 0.000 0.688 201 F CA 0.785 58.785 58.000 -0.000 0.000 1.286 201 F CB -2.641 36.360 39.000 0.001 0.000 1.612 201 F HN 0.426 nan 8.300 nan 0.000 0.335 202 G N 0.710 109.548 108.800 0.063 0.000 2.321 202 G HA2 0.265 4.224 3.960 -0.003 0.000 0.237 202 G HA3 0.265 4.224 3.960 -0.003 0.000 0.237 202 G C 0.903 175.829 174.900 0.044 0.000 1.282 202 G CA -0.166 44.940 45.100 0.010 0.000 0.886 202 G HN 0.186 nan 8.290 nan 0.000 0.528 203 M N 1.287 120.916 119.600 0.049 0.000 2.492 203 M HA 0.158 4.636 4.480 -0.003 0.000 0.255 203 M C 0.183 176.542 176.300 0.099 0.000 1.139 203 M CA 0.593 55.944 55.300 0.085 0.000 1.096 203 M CB 0.493 33.142 32.600 0.082 0.000 1.360 203 M HN 0.199 nan 8.290 nan 0.000 0.480 204 V N 1.027 120.967 119.914 0.043 0.000 2.623 204 V HA 0.486 4.605 4.120 -0.003 0.000 0.304 204 V C -0.465 175.579 176.094 -0.084 0.000 1.054 204 V CA -0.854 61.477 62.300 0.053 0.000 0.882 204 V CB 2.802 34.701 31.823 0.127 0.000 1.002 204 V HN 0.237 nan 8.190 nan 0.000 0.424 205 R N 4.105 124.488 120.500 -0.196 0.000 2.771 205 R HA 0.674 5.013 4.340 -0.003 0.000 0.274 205 R C -1.643 174.637 176.300 -0.033 0.000 0.987 205 R CA -0.949 55.069 56.100 -0.138 0.000 0.908 205 R CB 2.620 32.620 30.300 -0.501 0.000 1.213 205 R HN 0.440 nan 8.270 nan 0.000 0.468 206 I N 1.574 122.242 120.570 0.165 0.000 2.412 206 I HA 0.518 4.686 4.170 -0.003 0.000 0.296 206 I C 0.242 176.297 176.117 -0.103 0.000 0.987 206 I CA -0.507 60.767 61.300 -0.042 0.000 1.180 206 I CB 1.316 39.257 38.000 -0.099 0.000 1.340 206 I HN 0.720 nan 8.210 nan 0.000 0.455 207 A N 6.970 129.760 122.820 -0.050 0.000 2.386 207 A HA 0.899 5.217 4.320 -0.003 0.000 0.308 207 A C -0.905 176.570 177.584 -0.181 0.000 1.128 207 A CA -0.652 51.364 52.037 -0.037 0.000 0.789 207 A CB 1.520 20.643 19.000 0.205 0.000 1.325 207 A HN 0.633 nan 8.150 nan 0.000 0.437 208 L N 1.070 122.105 121.223 -0.314 0.000 2.298 208 L HA 0.627 4.965 4.340 -0.003 0.000 0.284 208 L C 0.470 177.119 176.870 -0.368 0.000 1.013 208 L CA -0.326 54.113 54.840 -0.668 0.000 0.824 208 L CB 1.805 43.138 42.059 -1.210 0.000 1.221 208 L HN 0.841 nan 8.230 nan 0.000 0.418 209 G N 3.437 112.126 108.800 -0.186 0.000 4.332 209 G HA2 0.450 4.408 3.960 -0.003 0.000 0.321 209 G HA3 0.450 4.408 3.960 -0.003 0.000 0.321 209 G C -2.806 172.158 174.900 0.107 0.000 1.439 209 G CA -1.048 44.072 45.100 0.033 0.000 0.900 209 G HN 0.255 nan 8.290 nan 0.000 0.515 210 P HA 0.015 nan 4.420 nan 0.000 0.266 210 P C 1.313 178.660 177.300 0.078 0.000 1.193 210 P CA -0.379 62.716 63.100 -0.007 0.000 0.770 210 P CB 1.254 32.612 31.700 -0.570 0.000 0.836 211 C N 2.567 121.960 119.300 0.155 0.000 2.413 211 C HA 0.174 4.632 4.460 -0.003 0.000 0.277 211 C C 1.160 176.392 174.990 0.403 0.000 1.265 211 C CA 1.892 61.053 59.018 0.239 0.000 1.752 211 C CB -1.806 25.962 27.740 0.047 0.000 1.998 211 C HN 0.776 nan 8.230 nan 0.000 0.489 212 G N -2.323 106.734 108.800 0.428 0.000 2.336 212 G HA2 0.268 4.227 3.960 -0.003 0.000 0.300 212 G HA3 0.268 4.227 3.960 -0.003 0.000 0.300 212 G C 0.060 175.149 174.900 0.316 0.000 1.375 212 G CA 0.045 45.410 45.100 0.441 0.000 0.885 212 G HN 0.174 nan 8.290 nan 0.000 0.599 213 V N 0.584 120.480 119.914 -0.030 0.000 2.324 213 V HA -0.088 4.030 4.120 -0.003 0.000 0.250 213 V C -0.091 175.768 176.094 -0.393 0.000 1.060 213 V CA 2.636 64.636 62.300 -0.499 0.000 1.042 213 V CB -1.020 30.319 31.823 -0.808 0.000 0.650 213 V HN 0.593 nan 8.190 nan 0.000 0.450 214 P HA -0.035 nan 4.420 nan 0.000 0.242 214 P C 0.413 177.324 177.300 -0.648 0.000 1.197 214 P CA 1.200 63.885 63.100 -0.691 0.000 0.765 214 P CB -0.104 30.934 31.700 -1.103 0.000 0.936 215 Y N -2.339 117.987 120.300 0.044 0.000 2.448 215 Y HA 0.292 4.840 4.550 -0.003 0.000 0.257 215 Y C 0.543 176.505 175.900 0.102 0.000 1.089 215 Y CA -0.501 57.644 58.100 0.076 0.000 1.245 215 Y CB 0.554 39.051 38.460 0.062 0.000 1.282 215 Y HN -0.133 nan 8.280 nan 0.000 0.529 216 D N 0.333 120.890 120.400 0.262 0.000 2.601 216 D HA 0.273 4.912 4.640 -0.003 0.000 0.230 216 D C -0.848 175.621 176.300 0.281 0.000 1.106 216 D CA -0.713 53.431 54.000 0.239 0.000 0.873 216 D CB 2.363 43.270 40.800 0.178 0.000 1.515 216 D HN -0.046 nan 8.370 nan 0.000 0.468 217 K N 1.141 121.657 120.400 0.194 0.000 2.237 217 K HA 0.188 4.506 4.320 -0.003 0.000 0.270 217 K C -1.649 175.069 176.600 0.197 0.000 1.015 217 K CA -1.322 55.072 56.287 0.178 0.000 0.949 217 K CB 0.948 33.495 32.500 0.078 0.000 0.976 217 K HN 0.021 nan 8.250 nan 0.000 0.472 218 P HA -0.183 nan 4.420 nan 0.000 0.217 218 P C 0.307 177.448 177.300 -0.266 0.000 1.148 218 P CA 1.308 64.171 63.100 -0.395 0.000 0.828 218 P CB 0.273 31.479 31.700 -0.824 0.000 0.783 219 E N -0.913 119.214 120.200 -0.123 0.000 2.106 219 E HA -0.145 4.203 4.350 -0.003 0.000 0.192 219 E C 1.838 178.374 176.600 -0.106 0.000 0.984 219 E CA 0.650 56.996 56.400 -0.089 0.000 0.806 219 E CB -0.971 28.692 29.700 -0.062 0.000 0.750 219 E HN 0.120 nan 8.360 nan 0.000 0.458 220 L N -0.273 120.865 121.223 -0.142 0.000 2.017 220 L HA -0.122 4.216 4.340 -0.003 0.000 0.208 220 L C 1.769 178.427 176.870 -0.352 0.000 1.073 220 L CA 1.637 56.250 54.840 -0.378 0.000 0.745 220 L CB -0.406 41.401 42.059 -0.418 0.000 0.894 220 L HN 0.077 nan 8.230 nan 0.000 0.432 221 F N 0.319 120.170 119.950 -0.165 0.000 2.095 221 F HA -0.224 4.302 4.527 -0.002 0.000 0.298 221 F C 2.500 178.449 175.800 0.249 0.000 1.104 221 F CA 1.936 59.937 58.000 0.001 0.000 1.232 221 F CB -0.468 38.344 39.000 -0.312 0.000 0.987 221 F HN 0.185 nan 8.300 nan 0.000 0.475 222 E N 0.020 120.356 120.200 0.227 0.000 2.072 222 E HA -0.195 4.154 4.350 -0.003 0.000 0.191 222 E C 2.426 179.117 176.600 0.151 0.000 0.985 222 E CA 0.955 57.471 56.400 0.193 0.000 0.801 222 E CB -0.401 29.357 29.700 0.097 0.000 0.750 222 E HN 0.402 nan 8.360 nan 0.000 0.452 223 A N 1.304 124.150 122.820 0.043 0.000 1.877 223 A HA -0.181 4.138 4.320 -0.003 0.000 0.216 223 A C 1.904 179.587 177.584 0.165 0.000 1.186 223 A CA 1.213 53.260 52.037 0.017 0.000 0.620 223 A CB -0.673 18.245 19.000 -0.137 0.000 0.822 223 A HN 0.138 nan 8.150 nan 0.000 0.443 224 F N 0.200 120.237 119.950 0.144 0.000 2.171 224 F HA -0.079 4.446 4.527 -0.003 0.000 0.300 224 F C 2.837 178.680 175.800 0.071 0.000 1.090 224 F CA 0.249 58.325 58.000 0.128 0.000 1.293 224 F CB -1.198 37.941 39.000 0.231 0.000 1.013 224 F HN 0.285 nan 8.300 nan 0.000 0.486 225 A N -0.535 122.481 122.820 0.327 0.000 1.908 225 A HA -0.280 4.039 4.320 -0.003 0.000 0.218 225 A C 2.163 179.800 177.584 0.087 0.000 1.181 225 A CA 1.988 54.092 52.037 0.112 0.000 0.627 225 A CB -0.824 18.280 19.000 0.175 0.000 0.818 225 A HN 0.369 nan 8.150 nan 0.000 0.445 226 Q N -0.733 119.142 119.800 0.126 0.000 2.049 226 Q HA -0.067 4.272 4.340 -0.003 0.000 0.198 226 Q C 2.065 178.138 176.000 0.121 0.000 0.971 226 Q CA 1.992 57.854 55.803 0.098 0.000 0.833 226 Q CB -0.375 28.419 28.738 0.093 0.000 0.896 226 Q HN 0.647 nan 8.270 nan 0.000 0.434 227 M N -0.812 118.893 119.600 0.176 0.000 2.159 227 M HA -0.148 4.331 4.480 -0.003 0.000 0.263 227 M C 1.803 178.213 176.300 0.183 0.000 1.063 227 M CA 1.766 57.203 55.300 0.228 0.000 1.110 227 M CB -0.153 32.578 32.600 0.219 0.000 1.374 227 M HN 0.340 nan 8.290 nan 0.000 0.411 228 A N -0.026 122.839 122.820 0.075 0.000 1.930 228 A HA -0.001 4.318 4.320 -0.003 0.000 0.217 228 A C 2.243 179.836 177.584 0.016 0.000 1.175 228 A CA 1.639 53.676 52.037 -0.001 0.000 0.627 228 A CB -0.943 17.996 19.000 -0.101 0.000 0.815 228 A HN 0.622 nan 8.150 nan 0.000 0.443 229 A N 0.161 122.992 122.820 0.018 0.000 1.873 229 A HA -0.159 4.160 4.320 -0.003 0.000 0.215 229 A C 1.748 179.329 177.584 -0.005 0.000 1.186 229 A CA 1.856 53.895 52.037 0.004 0.000 0.616 229 A CB -0.555 18.447 19.000 0.003 0.000 0.823 229 A HN 0.419 nan 8.150 nan 0.000 0.442 230 D N -1.891 118.514 120.400 0.008 0.000 2.178 230 D HA -0.072 4.566 4.640 -0.003 0.000 0.202 230 D C 0.873 177.017 176.300 -0.261 0.000 0.974 230 D CA 1.220 55.153 54.000 -0.113 0.000 0.841 230 D CB -0.173 40.566 40.800 -0.102 0.000 0.953 230 D HN 0.649 nan 8.370 nan 0.000 0.478 231 Y N -0.277 120.004 120.300 -0.033 0.000 2.481 231 Y HA 0.111 4.660 4.550 -0.003 0.000 0.247 231 Y C -0.015 175.855 175.900 -0.050 0.000 1.151 231 Y CA -0.505 57.567 58.100 -0.047 0.000 1.238 231 Y CB 0.645 39.055 38.460 -0.083 0.000 1.179 231 Y HN -0.242 nan 8.280 nan 0.000 0.524 232 D N 1.111 121.550 120.400 0.064 0.000 2.737 232 D HA -0.143 4.495 4.640 -0.003 0.000 0.238 232 D C -0.608 175.713 176.300 0.036 0.000 1.157 232 D CA 0.905 54.929 54.000 0.039 0.000 0.694 232 D CB -0.843 39.981 40.800 0.042 0.000 1.021 232 D HN 0.194 nan 8.370 nan 0.000 0.420 233 V N -1.946 117.955 119.914 -0.021 0.000 3.181 233 V HA 0.786 4.904 4.120 -0.003 0.000 0.314 233 V C 0.703 176.771 176.094 -0.044 0.000 1.173 233 V CA -1.014 61.238 62.300 -0.079 0.000 1.052 233 V CB 1.906 33.577 31.823 -0.253 0.000 1.123 233 V HN 0.135 nan 8.190 nan 0.000 0.454 234 R N 0.190 120.692 120.500 0.004 0.000 2.691 234 R HA 0.801 5.139 4.340 -0.003 0.000 0.259 234 R C -1.227 175.053 176.300 -0.032 0.000 1.048 234 R CA -0.818 55.322 56.100 0.066 0.000 1.086 234 R CB 1.555 32.018 30.300 0.272 0.000 1.166 234 R HN 0.651 nan 8.270 nan 0.000 0.526 235 L N 0.948 122.095 121.223 -0.126 0.000 2.346 235 L HA 0.450 4.789 4.340 -0.003 0.000 0.276 235 L C -0.831 175.859 176.870 -0.300 0.000 1.006 235 L CA -0.825 53.740 54.840 -0.459 0.000 0.817 235 L CB 1.685 43.031 42.059 -1.187 0.000 1.272 235 L HN 0.567 nan 8.230 nan 0.000 0.421 236 H N 1.046 119.921 119.070 -0.325 0.000 2.856 236 H HA 0.673 5.228 4.556 -0.003 0.000 0.355 236 H C -1.309 173.990 175.328 -0.048 0.000 1.079 236 H CA -0.244 55.452 56.048 -0.587 0.000 1.240 236 H CB 2.256 31.172 29.762 -1.410 0.000 1.701 236 H HN 0.566 nan 8.280 nan 0.000 0.527 237 T N 2.689 116.952 114.554 -0.485 0.000 2.792 237 T HA 0.305 4.653 4.350 -0.003 0.000 0.303 237 T C -1.167 173.315 174.700 -0.364 0.000 1.310 237 T CA -0.699 61.207 62.100 -0.323 0.000 1.007 237 T CB 0.607 69.472 68.868 -0.005 0.000 1.335 237 T HN 0.729 nan 8.240 nan 0.000 0.504 238 H N 0.669 119.723 119.070 -0.027 0.000 2.690 238 H HA 0.576 5.130 4.556 -0.003 0.000 0.365 238 H C -0.909 174.544 175.328 0.208 0.000 1.142 238 H CA 0.411 56.528 56.048 0.114 0.000 1.417 238 H CB 0.459 30.343 29.762 0.204 0.000 1.446 238 H HN 0.345 nan 8.280 nan 0.000 0.599 239 F N 1.961 121.987 119.950 0.127 0.000 2.607 239 F HA 0.187 4.712 4.527 -0.003 0.000 0.322 239 F C -1.147 174.695 175.800 0.071 0.000 1.176 239 F CA -1.247 56.761 58.000 0.013 0.000 0.977 239 F CB 0.392 39.392 39.000 0.000 0.000 1.242 239 F HN 0.701 nan 8.300 nan 0.000 0.465 240 Y N 3.347 123.378 120.300 -0.449 0.000 3.037 240 Y HA -0.291 4.258 4.550 -0.002 0.000 0.204 240 Y C 0.661 176.340 175.900 -0.369 0.000 1.275 240 Y CA 0.705 58.522 58.100 -0.473 0.000 1.066 240 Y CB -0.810 37.267 38.460 -0.637 0.000 1.305 240 Y HN 0.546 nan 8.280 nan 0.000 0.499 241 Q N 0.769 120.385 119.800 -0.305 0.000 2.417 241 Q HA 0.209 4.548 4.340 -0.003 0.000 0.241 241 Q C -2.030 173.573 176.000 -0.661 0.000 1.008 241 Q CA -1.920 53.444 55.803 -0.731 0.000 0.901 241 Q CB 0.375 28.626 28.738 -0.812 0.000 1.259 241 Q HN 0.092 nan 8.270 nan 0.000 0.489 242 P HA -0.015 nan 4.420 nan 0.000 0.269 242 P C 0.184 177.244 177.300 -0.400 0.000 1.215 242 P CA 0.292 63.061 63.100 -0.551 0.000 0.780 242 P CB 0.488 31.836 31.700 -0.588 0.000 0.898 243 L N -1.307 119.763 121.223 -0.254 0.000 4.029 243 L HA -0.294 4.045 4.340 -0.003 0.000 0.394 243 L C 1.139 177.863 176.870 -0.243 0.000 0.733 243 L CA 1.201 55.905 54.840 -0.227 0.000 2.638 243 L CB -1.721 40.197 42.059 -0.235 0.000 1.037 243 L HN 0.318 nan 8.230 nan 0.000 0.655 244 D N 0.721 120.969 120.400 -0.252 0.000 2.104 244 D HA -0.080 4.559 4.640 -0.003 0.000 0.194 244 D C 2.074 178.253 176.300 -0.200 0.000 0.994 244 D CA 1.807 55.650 54.000 -0.261 0.000 0.830 244 D CB -0.022 40.607 40.800 -0.285 0.000 0.959 244 D HN 0.588 nan 8.370 nan 0.000 0.452 245 A N 0.656 123.413 122.820 -0.104 0.000 1.940 245 A HA -0.062 4.256 4.320 -0.003 0.000 0.219 245 A C 2.368 179.925 177.584 -0.046 0.000 1.176 245 A CA 2.199 54.225 52.037 -0.017 0.000 0.631 245 A CB -1.087 17.960 19.000 0.080 0.000 0.814 245 A HN 0.315 nan 8.150 nan 0.000 0.446 246 G N -0.539 108.211 108.800 -0.084 0.000 2.421 246 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.216 246 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.216 246 G C 1.644 176.490 174.900 -0.090 0.000 1.171 246 G CA 1.235 46.285 45.100 -0.083 0.000 0.775 246 G HN 0.491 nan 8.290 nan 0.000 0.543 247 M N 0.570 120.070 119.600 -0.167 0.000 2.175 247 M HA 0.007 4.486 4.480 -0.003 0.000 0.264 247 M C 2.796 179.018 176.300 -0.131 0.000 1.063 247 M CA 1.292 56.485 55.300 -0.178 0.000 1.119 247 M CB -0.215 32.190 32.600 -0.325 0.000 1.377 247 M HN 0.276 nan 8.290 nan 0.000 0.415 248 S N 0.322 115.940 115.700 -0.136 0.000 2.382 248 S HA -0.197 4.271 4.470 -0.003 0.000 0.228 248 S C 1.494 176.103 174.600 0.015 0.000 1.027 248 S CA 1.996 60.154 58.200 -0.070 0.000 0.991 248 S CB -0.274 62.868 63.200 -0.096 0.000 0.823 248 S HN 0.519 nan 8.310 nan 0.000 0.469 249 D N -0.183 120.225 120.400 0.012 0.000 2.117 249 D HA -0.153 4.485 4.640 -0.003 0.000 0.198 249 D C 1.993 178.307 176.300 0.024 0.000 0.982 249 D CA 1.399 55.422 54.000 0.039 0.000 0.828 249 D CB -0.380 40.443 40.800 0.039 0.000 0.967 249 D HN 0.588 nan 8.370 nan 0.000 0.464 250 H N 0.072 119.091 119.070 -0.085 0.000 2.319 250 H HA -0.096 4.458 4.556 -0.003 0.000 0.299 250 H C 2.132 177.362 175.328 -0.164 0.000 1.092 250 H CA 1.468 57.456 56.048 -0.100 0.000 1.302 250 H CB -0.076 29.629 29.762 -0.094 0.000 1.373 250 H HN 0.221 nan 8.280 nan 0.000 0.497 251 L N -0.721 120.308 121.223 -0.323 0.000 2.095 251 L HA -0.146 4.192 4.340 -0.003 0.000 0.204 251 L C 1.531 177.987 176.870 -0.690 0.000 1.080 251 L CA 1.010 55.443 54.840 -0.677 0.000 0.759 251 L CB -0.159 41.269 42.059 -1.053 0.000 0.914 251 L HN 0.276 nan 8.230 nan 0.000 0.439 252 Y N -1.330 118.955 120.300 -0.025 0.000 2.471 252 Y HA 0.367 4.915 4.550 -0.003 0.000 0.249 252 Y C 1.583 177.500 175.900 0.029 0.000 1.116 252 Y CA -0.138 57.985 58.100 0.039 0.000 1.240 252 Y CB 0.187 38.741 38.460 0.156 0.000 1.251 252 Y HN 0.106 nan 8.280 nan 0.000 0.527 253 G N 1.883 110.746 108.800 0.106 0.000 2.249 253 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.273 253 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.273 253 G C 0.069 175.033 174.900 0.107 0.000 1.036 253 G CA 0.881 46.028 45.100 0.079 0.000 0.824 253 G HN 0.411 nan 8.290 nan 0.000 0.504 254 M N -2.002 117.686 119.600 0.147 0.000 2.683 254 M HA 0.737 5.215 4.480 -0.003 0.000 0.274 254 M C 0.257 176.643 176.300 0.144 0.000 1.272 254 M CA -0.419 54.963 55.300 0.138 0.000 0.833 254 M CB 1.190 33.871 32.600 0.135 0.000 1.708 254 M HN 0.576 nan 8.290 nan 0.000 0.463 255 T N -2.027 112.626 114.554 0.165 0.000 2.860 255 T HA 0.356 4.705 4.350 -0.003 0.000 0.299 255 T C -2.209 172.590 174.700 0.165 0.000 1.045 255 T CA -0.988 61.235 62.100 0.205 0.000 1.071 255 T CB 0.309 69.383 68.868 0.344 0.000 0.985 255 T HN 0.537 nan 8.240 nan 0.000 0.537 256 P HA -0.074 nan 4.420 nan 0.000 0.216 256 P C 1.334 178.760 177.300 0.210 0.000 1.150 256 P CA 0.975 64.005 63.100 -0.117 0.000 0.837 256 P CB -0.099 31.236 31.700 -0.607 0.000 0.786 257 W N 0.518 121.964 121.300 0.244 0.000 2.381 257 W HA -0.130 4.529 4.660 -0.003 0.000 0.301 257 W C 1.683 178.373 176.519 0.284 0.000 1.205 257 W CA 0.799 58.417 57.345 0.455 0.000 1.285 257 W CB -0.264 29.663 29.460 0.779 0.000 1.133 257 W HN -0.159 nan 8.180 nan 0.000 0.521 258 R N 0.106 120.674 120.500 0.114 0.000 2.096 258 R HA -0.207 4.132 4.340 -0.003 0.000 0.235 258 R C 2.142 178.348 176.300 -0.157 0.000 1.127 258 R CA 1.589 57.630 56.100 -0.098 0.000 0.968 258 R CB -1.660 28.666 30.300 0.044 0.000 0.861 258 R HN 0.319 nan 8.270 nan 0.000 0.440 259 F N 1.651 121.486 119.950 -0.192 0.000 2.095 259 F HA -0.190 4.335 4.527 -0.003 0.000 0.298 259 F C 2.189 177.800 175.800 -0.316 0.000 1.104 259 F CA 1.437 59.282 58.000 -0.258 0.000 1.232 259 F CB -0.268 38.567 39.000 -0.274 0.000 0.987 259 F HN -0.114 nan 8.300 nan 0.000 0.475 260 L N 0.014 121.194 121.223 -0.072 0.000 2.017 260 L HA -0.235 4.103 4.340 -0.003 0.000 0.208 260 L C 2.482 179.177 176.870 -0.291 0.000 1.073 260 L CA 1.823 56.564 54.840 -0.165 0.000 0.745 260 L CB -0.835 41.198 42.059 -0.043 0.000 0.894 260 L HN 0.220 nan 8.230 nan 0.000 0.432 261 E N 0.137 120.011 120.200 -0.545 0.000 2.058 261 E HA -0.301 4.048 4.350 -0.003 0.000 0.194 261 E C 2.231 178.604 176.600 -0.378 0.000 0.997 261 E CA 1.534 57.616 56.400 -0.530 0.000 0.801 261 E CB 0.005 29.322 29.700 -0.640 0.000 0.746 261 E HN 0.267 nan 8.360 nan 0.000 0.450 262 K N -0.010 120.094 120.400 -0.492 0.000 2.097 262 K HA -0.147 4.171 4.320 -0.003 0.000 0.206 262 K C 0.952 177.132 176.600 -0.701 0.000 1.049 262 K CA 1.167 57.078 56.287 -0.627 0.000 0.933 262 K CB 0.064 32.054 32.500 -0.850 0.000 0.717 262 K HN 0.257 nan 8.250 nan 0.000 0.442 263 H N -1.191 117.659 119.070 -0.367 0.000 2.524 263 H HA 0.188 4.743 4.556 -0.003 0.000 0.299 263 H C 0.731 176.092 175.328 0.056 0.000 1.074 263 H CA 0.593 56.489 56.048 -0.254 0.000 1.115 263 H CB 0.894 30.343 29.762 -0.522 0.000 1.522 263 H HN 0.546 nan 8.280 nan 0.000 0.543 264 G N 0.498 109.359 108.800 0.101 0.000 2.157 264 G HA2 -0.258 3.701 3.960 -0.003 0.000 0.239 264 G HA3 -0.258 3.701 3.960 -0.003 0.000 0.239 264 G C 0.495 175.525 174.900 0.217 0.000 0.982 264 G CA -0.009 45.184 45.100 0.155 0.000 0.650 264 G HN 0.430 nan 8.290 nan 0.000 0.527 265 W N 0.751 122.032 121.300 -0.031 0.000 3.278 265 W HA 0.674 5.332 4.660 -0.003 0.000 0.308 265 W C 1.490 177.993 176.519 -0.028 0.000 1.253 265 W CA 0.065 57.421 57.345 0.018 0.000 1.759 265 W CB 0.291 29.809 29.460 0.097 0.000 1.093 265 W HN 0.638 nan 8.180 nan 0.000 0.648 266 A N 1.526 124.375 122.820 0.048 0.000 3.004 266 A HA 0.527 4.845 4.320 -0.003 0.000 0.286 266 A C 0.354 178.014 177.584 0.126 0.000 1.632 266 A CA 0.364 52.430 52.037 0.049 0.000 1.339 266 A CB -0.871 18.023 19.000 -0.178 0.000 1.136 266 A HN 0.023 nan 8.150 nan 0.000 0.577 267 S N -0.318 115.460 115.700 0.129 0.000 2.625 267 S HA 0.453 4.922 4.470 -0.003 0.000 0.271 267 S C -0.097 174.547 174.600 0.073 0.000 1.161 267 S CA -0.059 58.188 58.200 0.078 0.000 0.820 267 S CB 1.036 64.243 63.200 0.012 0.000 1.137 267 S HN 0.395 nan 8.310 nan 0.000 0.470 268 D N -0.107 120.325 120.400 0.053 0.000 2.352 268 D HA 0.046 4.685 4.640 -0.003 0.000 0.232 268 D C 1.087 177.406 176.300 0.032 0.000 1.055 268 D CA 0.140 54.169 54.000 0.049 0.000 0.891 268 D CB -0.277 40.547 40.800 0.039 0.000 0.897 268 D HN 0.527 nan 8.370 nan 0.000 0.529 269 R N -0.160 120.341 120.500 0.002 0.000 2.317 269 R HA 0.199 4.537 4.340 -0.003 0.000 0.208 269 R C -0.181 176.124 176.300 0.009 0.000 0.914 269 R CA -0.007 56.083 56.100 -0.018 0.000 1.060 269 R CB 0.734 30.980 30.300 -0.090 0.000 1.015 269 R HN 0.105 nan 8.270 nan 0.000 0.498 270 V N 1.047 120.984 119.914 0.039 0.000 2.483 270 V HA 0.305 4.424 4.120 -0.003 0.000 0.295 270 V C -0.740 175.513 176.094 0.264 0.000 1.035 270 V CA -0.856 61.486 62.300 0.071 0.000 0.896 270 V CB 1.233 33.082 31.823 0.042 0.000 0.986 270 V HN 0.287 nan 8.190 nan 0.000 0.447 271 W N 5.317 126.657 121.300 0.066 0.000 2.819 271 W HA 0.840 5.498 4.660 -0.003 0.000 0.337 271 W C -2.169 174.494 176.519 0.240 0.000 1.077 271 W CA -1.086 56.318 57.345 0.098 0.000 1.226 271 W CB 1.195 30.674 29.460 0.032 0.000 1.419 271 W HN 0.388 nan 8.180 nan 0.000 0.502 272 L N 4.705 126.006 121.223 0.130 0.000 2.356 272 L HA 0.739 5.077 4.340 -0.003 0.000 0.277 272 L C 0.304 177.203 176.870 0.048 0.000 0.996 272 L CA -1.349 53.469 54.840 -0.035 0.000 0.822 272 L CB 1.690 43.607 42.059 -0.236 0.000 1.256 272 L HN 0.767 nan 8.230 nan 0.000 0.413 273 A N 2.057 124.823 122.820 -0.090 0.000 2.331 273 A HA 0.564 4.883 4.320 -0.003 0.000 0.283 273 A C 0.405 178.004 177.584 0.024 0.000 1.142 273 A CA 0.123 52.020 52.037 -0.232 0.000 0.812 273 A CB 0.035 18.518 19.000 -0.863 0.000 1.074 273 A HN 1.033 nan 8.150 nan 0.000 0.497 274 H N 1.192 120.303 119.070 0.067 0.000 4.733 274 H HA -0.297 4.257 4.556 -0.003 0.000 0.059 274 H C 1.140 176.605 175.328 0.228 0.000 0.616 274 H CA 1.618 57.768 56.048 0.170 0.000 0.914 274 H CB -1.793 28.088 29.762 0.198 0.000 0.432 274 H HN 2.299 nan 8.280 nan 0.000 0.812 275 A N 0.614 123.651 122.820 0.361 0.000 2.610 275 A HA -0.143 4.175 4.320 -0.003 0.000 0.299 275 A C 1.560 179.302 177.584 0.264 0.000 1.487 275 A CA 1.321 53.527 52.037 0.283 0.000 0.743 275 A CB -1.850 17.340 19.000 0.317 0.000 1.070 275 A HN 0.464 nan 8.150 nan 0.000 0.439 276 V N -0.654 119.357 119.914 0.161 0.000 2.323 276 V HA -0.094 4.024 4.120 -0.003 0.000 0.244 276 V C 1.661 177.765 176.094 0.017 0.000 1.041 276 V CA 2.079 64.450 62.300 0.118 0.000 1.025 276 V CB -0.137 31.721 31.823 0.058 0.000 0.656 276 V HN 1.562 nan 8.190 nan 0.000 0.451 277 V N -1.527 118.340 119.914 -0.078 0.000 2.562 277 V HA 0.478 4.596 4.120 -0.003 0.000 0.274 277 V C -2.458 173.407 176.094 -0.382 0.000 1.075 277 V CA -1.708 60.494 62.300 -0.164 0.000 1.204 277 V CB 0.139 31.867 31.823 -0.158 0.000 1.478 277 V HN 0.305 nan 8.190 nan 0.000 0.622 278 P HA 0.452 nan 4.420 nan 0.000 0.276 278 P C -2.814 174.188 177.300 -0.497 0.000 1.244 278 P CA -1.620 60.899 63.100 -0.969 0.000 0.801 278 P CB 0.542 32.026 31.700 -0.360 0.000 1.006 279 P HA 0.176 nan 4.420 nan 0.000 0.267 279 P C 1.056 178.235 177.300 -0.203 0.000 1.205 279 P CA -0.126 62.841 63.100 -0.223 0.000 0.765 279 P CB 0.306 31.931 31.700 -0.125 0.000 0.828 280 R N 2.627 123.035 120.500 -0.154 0.000 2.127 280 R HA -0.149 4.189 4.340 -0.003 0.000 0.238 280 R C 1.380 177.580 176.300 -0.167 0.000 1.134 280 R CA 1.500 57.513 56.100 -0.146 0.000 0.975 280 R CB -0.799 29.438 30.300 -0.106 0.000 0.865 280 R HN 0.540 nan 8.270 nan 0.000 0.447 281 E N 0.635 120.752 120.200 -0.139 0.000 2.265 281 E HA -0.144 4.205 4.350 -0.003 0.000 0.196 281 E C 1.577 178.056 176.600 -0.201 0.000 0.996 281 E CA 0.946 57.271 56.400 -0.124 0.000 0.832 281 E CB -0.087 29.574 29.700 -0.065 0.000 0.756 281 E HN 0.497 nan 8.360 nan 0.000 0.491 282 E N -0.168 119.839 120.200 -0.322 0.000 2.299 282 E HA 0.005 4.354 4.350 -0.003 0.000 0.193 282 E C 1.819 177.689 176.600 -1.218 0.000 0.998 282 E CA 0.108 56.148 56.400 -0.600 0.000 0.851 282 E CB 0.011 29.414 29.700 -0.496 0.000 0.795 282 E HN 0.293 nan 8.360 nan 0.000 0.492 283 I N 1.550 121.564 120.570 -0.927 0.000 2.208 283 I HA -0.227 3.942 4.170 -0.003 0.000 0.245 283 I C -0.788 175.052 176.117 -0.462 0.000 1.097 283 I CA 1.175 62.003 61.300 -0.785 0.000 1.363 283 I CB -1.223 36.675 38.000 -0.171 0.000 1.051 283 I HN 0.068 nan 8.210 nan 0.000 0.413 284 P HA -0.161 nan 4.420 nan 0.000 0.218 284 P C 1.253 178.485 177.300 -0.112 0.000 1.148 284 P CA 1.393 64.413 63.100 -0.133 0.000 0.822 284 P CB -0.042 31.605 31.700 -0.089 0.000 0.784 285 E N -1.401 118.676 120.200 -0.204 0.000 2.072 285 E HA -0.150 4.198 4.350 -0.003 0.000 0.191 285 E C 1.770 178.397 176.600 0.045 0.000 0.985 285 E CA 0.941 57.336 56.400 -0.009 0.000 0.801 285 E CB -0.549 29.235 29.700 0.141 0.000 0.750 285 E HN 0.206 nan 8.360 nan 0.000 0.452 286 F N 1.291 121.033 119.950 -0.347 0.000 2.091 286 F HA -0.210 4.316 4.527 -0.001 0.000 0.299 286 F C 2.510 178.256 175.800 -0.090 0.000 1.103 286 F CA 0.981 58.749 58.000 -0.387 0.000 1.228 286 F CB -1.446 37.320 39.000 -0.389 0.000 0.984 286 F HN 0.007 nan 8.300 nan 0.000 0.477 287 A N 0.124 123.019 122.820 0.125 0.000 1.877 287 A HA -0.177 4.141 4.320 -0.003 0.000 0.216 287 A C 2.037 179.683 177.584 0.103 0.000 1.186 287 A CA 1.948 54.046 52.037 0.100 0.000 0.620 287 A CB -0.914 18.127 19.000 0.068 0.000 0.822 287 A HN 0.282 nan 8.150 nan 0.000 0.443 288 D N 0.057 120.522 120.400 0.107 0.000 2.144 288 D HA -0.053 4.586 4.640 -0.003 0.000 0.199 288 D C 2.146 178.535 176.300 0.149 0.000 0.984 288 D CA 1.535 55.604 54.000 0.115 0.000 0.834 288 D CB -0.367 40.502 40.800 0.116 0.000 0.955 288 D HN 0.437 nan 8.370 nan 0.000 0.465 289 A N -0.226 122.729 122.820 0.225 0.000 1.968 289 A HA 0.271 4.590 4.320 -0.003 0.000 0.217 289 A C 1.890 179.585 177.584 0.185 0.000 1.169 289 A CA 1.697 53.890 52.037 0.261 0.000 0.638 289 A CB -0.337 18.958 19.000 0.492 0.000 0.812 289 A HN 0.313 nan 8.150 nan 0.000 0.446 290 G N -1.019 107.876 108.800 0.157 0.000 2.132 290 G HA2 -0.093 3.865 3.960 -0.003 0.000 0.228 290 G HA3 -0.093 3.865 3.960 -0.003 0.000 0.228 290 G C 0.360 175.319 174.900 0.098 0.000 1.000 290 G CA 0.482 45.645 45.100 0.106 0.000 0.693 290 G HN 1.727 nan 8.290 nan 0.000 0.515 291 V N -1.591 118.393 119.914 0.117 0.000 2.924 291 V HA 0.805 4.923 4.120 -0.003 0.000 0.305 291 V C 0.779 176.891 176.094 0.031 0.000 1.073 291 V CA -0.045 62.301 62.300 0.078 0.000 1.098 291 V CB 1.360 33.212 31.823 0.048 0.000 1.000 291 V HN 1.813 nan 8.190 nan 0.000 0.484 292 A N 4.828 127.686 122.820 0.063 0.000 2.294 292 A HA 0.866 5.185 4.320 -0.003 0.000 0.330 292 A C -0.385 177.230 177.584 0.050 0.000 1.133 292 A CA -0.868 51.204 52.037 0.059 0.000 0.836 292 A CB 0.739 19.794 19.000 0.093 0.000 1.190 292 A HN 0.913 nan 8.150 nan 0.000 0.492 293 I N 0.910 121.488 120.570 0.013 0.000 2.465 293 I HA 0.489 4.657 4.170 -0.003 0.000 0.291 293 I C 0.289 176.474 176.117 0.114 0.000 1.014 293 I CA -0.474 60.831 61.300 0.008 0.000 1.093 293 I CB 2.066 39.935 38.000 -0.218 0.000 1.267 293 I HN 0.695 nan 8.210 nan 0.000 0.431 294 A N 4.848 127.768 122.820 0.168 0.000 2.252 294 A HA 0.374 4.693 4.320 -0.003 0.000 0.309 294 A C -0.663 176.976 177.584 0.091 0.000 1.285 294 A CA -0.250 51.874 52.037 0.144 0.000 0.900 294 A CB -0.100 19.014 19.000 0.190 0.000 1.157 294 A HN 0.709 nan 8.150 nan 0.000 0.536 295 H N 2.905 121.958 119.070 -0.029 0.000 2.742 295 H HA 0.470 5.025 4.556 -0.002 0.000 0.302 295 H C -0.771 174.264 175.328 -0.488 0.000 1.069 295 H CA -0.476 55.516 56.048 -0.094 0.000 1.446 295 H CB 0.362 30.181 29.762 0.096 0.000 1.462 295 H HN 0.487 nan 8.280 nan 0.000 0.499 296 L N 7.545 128.488 121.223 -0.467 0.000 2.495 296 L HA 0.170 4.508 4.340 -0.003 0.000 0.248 296 L C 1.109 177.731 176.870 -0.414 0.000 1.229 296 L CA -0.386 54.117 54.840 -0.562 0.000 0.942 296 L CB 0.560 42.377 42.059 -0.403 0.000 1.242 296 L HN 0.546 nan 8.230 nan 0.000 0.484 297 I N 2.080 122.247 120.570 -0.672 0.000 2.226 297 I HA -0.224 3.944 4.170 -0.003 0.000 0.245 297 I C 2.455 178.510 176.117 -0.103 0.000 1.100 297 I CA 2.107 63.229 61.300 -0.296 0.000 1.374 297 I CB 0.202 38.133 38.000 -0.115 0.000 1.057 297 I HN 0.573 nan 8.210 nan 0.000 0.413 298 A N 1.086 123.850 122.820 -0.094 0.000 1.858 298 A HA -0.077 4.242 4.320 -0.003 0.000 0.216 298 A C 0.133 177.657 177.584 -0.099 0.000 1.190 298 A CA 1.976 53.979 52.037 -0.057 0.000 0.617 298 A CB -2.240 16.748 19.000 -0.019 0.000 0.827 298 A HN 0.400 nan 8.150 nan 0.000 0.443 299 P HA -0.113 nan 4.420 nan 0.000 0.216 299 P C 0.418 177.526 177.300 -0.320 0.000 1.153 299 P CA 1.439 64.422 63.100 -0.195 0.000 0.848 299 P CB -0.162 31.545 31.700 0.011 0.000 0.787 300 D N -0.590 119.762 120.400 -0.080 0.000 2.123 300 D HA -0.119 4.519 4.640 -0.003 0.000 0.196 300 D C 2.084 178.325 176.300 -0.099 0.000 0.992 300 D CA 1.027 55.049 54.000 0.037 0.000 0.833 300 D CB -0.804 40.144 40.800 0.247 0.000 0.954 300 D HN 0.173 nan 8.370 nan 0.000 0.455 301 L N 0.079 121.241 121.223 -0.102 0.000 2.027 301 L HA -0.059 4.279 4.340 -0.003 0.000 0.206 301 L C 2.623 179.378 176.870 -0.192 0.000 1.074 301 L CA 0.817 55.590 54.840 -0.112 0.000 0.745 301 L CB -0.330 41.682 42.059 -0.079 0.000 0.898 301 L HN -0.038 nan 8.230 nan 0.000 0.433 302 R N -0.075 120.277 120.500 -0.247 0.000 2.120 302 R HA -0.134 4.205 4.340 -0.003 0.000 0.234 302 R C 1.976 178.042 176.300 -0.390 0.000 1.123 302 R CA 1.141 57.079 56.100 -0.270 0.000 0.975 302 R CB 0.093 30.236 30.300 -0.261 0.000 0.866 302 R HN 0.256 nan 8.270 nan 0.000 0.446 303 M N -0.846 118.368 119.600 -0.643 0.000 2.561 303 M HA 0.163 4.641 4.480 -0.003 0.000 0.238 303 M C 1.051 177.011 176.300 -0.568 0.000 1.131 303 M CA 0.869 55.652 55.300 -0.861 0.000 1.046 303 M CB 0.363 31.838 32.600 -1.874 0.000 1.532 303 M HN 0.429 nan 8.290 nan 0.000 0.497 304 G N -0.860 107.743 108.800 -0.328 0.000 2.143 304 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.249 304 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.249 304 G C 0.465 175.421 174.900 0.094 0.000 0.981 304 G CA 0.242 45.288 45.100 -0.090 0.000 0.665 304 G HN 0.445 nan 8.290 nan 0.000 0.528 305 W N 0.269 121.524 121.300 -0.074 0.000 2.494 305 W HA 0.425 5.084 4.660 -0.003 0.000 0.286 305 W C 1.777 178.266 176.519 -0.049 0.000 1.218 305 W CA 1.599 58.905 57.345 -0.066 0.000 1.313 305 W CB -0.866 28.547 29.460 -0.078 0.000 1.105 305 W HN 1.349 nan 8.180 nan 0.000 0.561 306 G N -0.067 108.839 108.800 0.176 0.000 2.445 306 G HA2 -0.196 3.763 3.960 -0.003 0.000 0.212 306 G HA3 -0.196 3.763 3.960 -0.003 0.000 0.212 306 G C -1.266 173.671 174.900 0.062 0.000 1.217 306 G CA -0.687 44.457 45.100 0.072 0.000 1.002 306 G HN -0.017 nan 8.290 nan 0.000 0.574 307 L N 1.324 122.553 121.223 0.009 0.000 2.276 307 L HA 0.659 4.998 4.340 -0.003 0.000 0.286 307 L C 1.127 178.041 176.870 0.073 0.000 1.024 307 L CA -0.339 54.481 54.840 -0.032 0.000 0.826 307 L CB 1.350 43.306 42.059 -0.170 0.000 1.211 307 L HN 1.097 nan 8.230 nan 0.000 0.422 308 A N 6.006 128.935 122.820 0.182 0.000 2.531 308 A HA 0.266 4.584 4.320 -0.003 0.000 0.236 308 A C -1.916 175.679 177.584 0.018 0.000 1.062 308 A CA -0.786 51.340 52.037 0.149 0.000 0.760 308 A CB -0.366 18.791 19.000 0.262 0.000 0.995 308 A HN 0.539 nan 8.150 nan 0.000 0.501 309 P HA 0.058 nan 4.420 nan 0.000 0.226 309 P C 0.733 177.651 177.300 -0.636 0.000 1.783 309 P CA -0.237 62.647 63.100 -0.361 0.000 0.980 309 P CB -0.103 31.339 31.700 -0.430 0.000 1.967 310 I N 1.079 121.437 120.570 -0.353 0.000 2.179 310 I HA -0.205 3.964 4.170 -0.003 0.000 0.242 310 I C 2.509 178.514 176.117 -0.186 0.000 1.088 310 I CA 1.354 62.493 61.300 -0.269 0.000 1.357 310 I CB -1.401 36.386 38.000 -0.355 0.000 1.051 310 I HN 0.186 nan 8.210 nan 0.000 0.409 311 R N 1.751 122.148 120.500 -0.172 0.000 2.091 311 R HA -0.206 4.132 4.340 -0.003 0.000 0.238 311 R C 2.018 178.267 176.300 -0.085 0.000 1.136 311 R CA 1.667 57.713 56.100 -0.090 0.000 0.959 311 R CB -0.480 29.790 30.300 -0.050 0.000 0.856 311 R HN 0.308 nan 8.270 nan 0.000 0.437 312 E N -0.912 119.187 120.200 -0.169 0.000 2.118 312 E HA -0.174 4.174 4.350 -0.003 0.000 0.195 312 E C 1.769 178.346 176.600 -0.039 0.000 0.992 312 E CA 1.609 57.919 56.400 -0.150 0.000 0.804 312 E CB -0.334 29.221 29.700 -0.243 0.000 0.741 312 E HN 0.416 nan 8.360 nan 0.000 0.458 313 Y N 0.191 120.503 120.300 0.019 0.000 2.200 313 Y HA -0.071 4.478 4.550 -0.002 0.000 0.290 313 Y C 2.061 177.978 175.900 0.028 0.000 1.137 313 Y CA 0.578 58.705 58.100 0.044 0.000 1.163 313 Y CB -0.767 37.730 38.460 0.062 0.000 0.988 313 Y HN 0.012 nan 8.280 nan 0.000 0.518 314 L N -0.311 121.005 121.223 0.154 0.000 2.017 314 L HA -0.238 4.100 4.340 -0.003 0.000 0.208 314 L C 2.017 178.924 176.870 0.061 0.000 1.073 314 L CA 1.565 56.457 54.840 0.087 0.000 0.745 314 L CB -0.594 41.492 42.059 0.045 0.000 0.894 314 L HN 0.112 nan 8.230 nan 0.000 0.432 315 D N 0.278 120.703 120.400 0.040 0.000 2.182 315 D HA -0.162 4.476 4.640 -0.003 0.000 0.201 315 D C 2.024 178.346 176.300 0.037 0.000 0.986 315 D CA 1.497 55.512 54.000 0.025 0.000 0.847 315 D CB 0.017 40.819 40.800 0.004 0.000 0.942 315 D HN 0.346 nan 8.370 nan 0.000 0.467 316 A N -0.531 122.328 122.820 0.065 0.000 2.218 316 A HA 0.402 4.720 4.320 -0.003 0.000 0.209 316 A C 1.800 179.425 177.584 0.069 0.000 1.168 316 A CA 1.059 53.136 52.037 0.067 0.000 0.804 316 A CB -0.124 18.933 19.000 0.095 0.000 0.834 316 A HN 0.240 nan 8.150 nan 0.000 0.482 317 G N -0.703 108.140 108.800 0.071 0.000 2.148 317 G HA2 -0.235 3.724 3.960 -0.003 0.000 0.254 317 G HA3 -0.235 3.724 3.960 -0.003 0.000 0.254 317 G C 0.133 175.074 174.900 0.069 0.000 0.981 317 G CA 0.276 45.412 45.100 0.061 0.000 0.670 317 G HN 0.485 nan 8.290 nan 0.000 0.528 318 I N 1.645 122.272 120.570 0.094 0.000 2.588 318 I HA 0.177 4.346 4.170 -0.003 0.000 0.283 318 I C 1.149 177.302 176.117 0.060 0.000 1.119 318 I CA -0.028 61.319 61.300 0.079 0.000 1.419 318 I CB 0.796 38.846 38.000 0.085 0.000 1.394 318 I HN 0.015 nan 8.210 nan 0.000 0.562 319 T N 6.148 120.723 114.554 0.035 0.000 2.817 319 T HA 0.198 4.546 4.350 -0.003 0.000 0.295 319 T C -0.092 174.626 174.700 0.029 0.000 0.958 319 T CA -0.187 61.928 62.100 0.025 0.000 1.157 319 T CB 0.227 69.101 68.868 0.009 0.000 0.898 319 T HN 0.243 nan 8.240 nan 0.000 0.536 320 V N 3.808 123.750 119.914 0.048 0.000 2.444 320 V HA 0.708 4.826 4.120 -0.003 0.000 0.294 320 V C 0.728 176.872 176.094 0.084 0.000 1.022 320 V CA -0.674 61.677 62.300 0.085 0.000 0.850 320 V CB 1.633 33.535 31.823 0.133 0.000 0.992 320 V HN 1.002 nan 8.190 nan 0.000 0.426 321 G N 2.681 111.543 108.800 0.103 0.000 2.938 321 G HA2 0.793 4.751 3.960 -0.003 0.000 0.258 321 G HA3 0.793 4.751 3.960 -0.003 0.000 0.258 321 G C -1.712 173.336 174.900 0.247 0.000 1.356 321 G CA -0.554 44.614 45.100 0.113 0.000 1.052 321 G HN 0.437 nan 8.290 nan 0.000 0.550 322 F N -1.421 118.551 119.950 0.036 0.000 2.601 322 F HA 0.679 5.204 4.527 -0.003 0.000 0.309 322 F C 0.209 176.032 175.800 0.037 0.000 1.089 322 F CA 0.085 58.117 58.000 0.053 0.000 0.940 322 F CB 2.371 41.390 39.000 0.032 0.000 1.273 322 F HN 0.885 nan 8.300 nan 0.000 0.450 323 G N 0.313 108.967 108.800 -0.244 0.000 2.645 323 G HA2 0.421 4.379 3.960 -0.003 0.000 0.292 323 G HA3 0.421 4.379 3.960 -0.003 0.000 0.292 323 G C -0.368 174.454 174.900 -0.130 0.000 1.415 323 G CA -0.075 44.999 45.100 -0.042 0.000 0.785 323 G HN 0.789 nan 8.290 nan 0.000 0.483 324 T N -3.351 111.212 114.554 0.016 0.000 3.022 324 T HA 0.349 4.698 4.350 -0.003 0.000 0.250 324 T C 1.190 175.917 174.700 0.044 0.000 1.060 324 T CA 1.267 63.385 62.100 0.031 0.000 1.013 324 T CB -0.181 68.738 68.868 0.086 0.000 0.982 324 T HN 1.765 nan 8.240 nan 0.000 0.508 325 T N 0.620 115.228 114.554 0.089 0.000 0.541 325 T HA -0.057 4.292 4.350 -0.003 0.000 0.774 325 T C 0.538 175.310 174.700 0.120 0.000 0.992 325 T CA 0.645 62.846 62.100 0.169 0.000 4.077 325 T CB -1.286 67.756 68.868 0.290 0.000 2.303 325 T HN 1.114 nan 8.240 nan 0.000 0.398 326 G N 0.363 109.304 108.800 0.236 0.000 2.636 326 G HA2 0.410 4.369 3.960 -0.003 0.000 0.246 326 G HA3 0.410 4.369 3.960 -0.003 0.000 0.246 326 G C 1.081 176.092 174.900 0.186 0.000 1.216 326 G CA 0.295 45.545 45.100 0.249 0.000 0.854 326 G HN 0.864 nan 8.290 nan 0.000 0.572 327 S N 0.372 116.156 115.700 0.140 0.000 2.607 327 S HA 0.058 4.527 4.470 -0.003 0.000 0.224 327 S C 2.232 176.904 174.600 0.120 0.000 0.969 327 S CA 0.575 58.842 58.200 0.110 0.000 0.927 327 S CB 0.061 63.313 63.200 0.087 0.000 0.772 327 S HN 0.778 nan 8.310 nan 0.000 0.533 328 A N 0.234 123.155 122.820 0.169 0.000 2.178 328 A HA 0.285 4.603 4.320 -0.003 0.000 0.211 328 A C 1.406 179.237 177.584 0.412 0.000 1.157 328 A CA 0.324 52.505 52.037 0.240 0.000 0.780 328 A CB 0.075 19.171 19.000 0.161 0.000 0.828 328 A HN 0.306 nan 8.150 nan 0.000 0.476 329 S N -0.499 115.351 115.700 0.251 0.000 2.665 329 S HA 0.289 4.757 4.470 -0.003 0.000 0.235 329 S C 0.285 174.870 174.600 -0.025 0.000 1.084 329 S CA -0.281 57.924 58.200 0.008 0.000 1.151 329 S CB -0.435 62.589 63.200 -0.293 0.000 1.151 329 S HN 0.559 nan 8.310 nan 0.000 0.461 330 N N 0.858 119.573 118.700 0.025 0.000 2.591 330 N HA 0.114 4.853 4.740 -0.003 0.000 0.275 330 N C -0.827 174.694 175.510 0.018 0.000 0.863 330 N CA 0.246 53.306 53.050 0.016 0.000 1.019 330 N CB 0.424 38.939 38.487 0.047 0.000 1.674 330 N HN 0.239 nan 8.380 nan 0.000 1.001 331 D N 0.972 121.394 120.400 0.036 0.000 2.738 331 D HA 0.404 5.042 4.640 -0.003 0.000 0.246 331 D C 0.046 176.382 176.300 0.061 0.000 1.270 331 D CA 0.016 54.051 54.000 0.058 0.000 0.833 331 D CB 0.543 41.381 40.800 0.062 0.000 1.040 331 D HN 0.320 nan 8.370 nan 0.000 0.487 332 G N -1.478 107.358 108.800 0.060 0.000 2.788 332 G HA2 0.517 4.475 3.960 -0.003 0.000 0.293 332 G HA3 0.517 4.475 3.960 -0.003 0.000 0.293 332 G C 0.540 175.486 174.900 0.076 0.000 1.305 332 G CA -0.900 44.239 45.100 0.065 0.000 1.005 332 G HN 0.031 nan 8.290 nan 0.000 0.496 333 G N -0.631 108.217 108.800 0.080 0.000 3.605 333 G HA2 0.119 4.077 3.960 -0.003 0.000 0.277 333 G HA3 0.119 4.077 3.960 -0.003 0.000 0.277 333 G C 0.282 175.242 174.900 0.101 0.000 1.093 333 G CA -0.299 44.855 45.100 0.091 0.000 0.821 333 G HN 0.446 nan 8.290 nan 0.000 0.532 334 N N 1.357 120.116 118.700 0.098 0.000 2.663 334 N HA 0.116 4.854 4.740 -0.003 0.000 0.250 334 N C 1.344 176.926 175.510 0.120 0.000 1.129 334 N CA -0.579 52.535 53.050 0.106 0.000 0.995 334 N CB 0.856 39.396 38.487 0.088 0.000 1.324 334 N HN 0.050 nan 8.380 nan 0.000 0.512 335 L N 4.065 125.373 121.223 0.141 0.000 2.046 335 L HA -0.037 4.302 4.340 -0.003 0.000 0.208 335 L C 1.736 178.656 176.870 0.084 0.000 1.077 335 L CA 1.369 56.312 54.840 0.170 0.000 0.747 335 L CB -0.681 41.486 42.059 0.181 0.000 0.896 335 L HN 0.527 nan 8.230 nan 0.000 0.432 336 L N -0.177 121.079 121.223 0.056 0.000 2.012 336 L HA -0.057 4.281 4.340 -0.003 0.000 0.210 336 L C 2.378 179.216 176.870 -0.054 0.000 1.073 336 L CA 2.161 56.972 54.840 -0.050 0.000 0.748 336 L CB -1.562 40.462 42.059 -0.058 0.000 0.891 336 L HN 0.323 nan 8.230 nan 0.000 0.431 337 G N -1.319 107.487 108.800 0.010 0.000 2.442 337 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.219 337 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.219 337 G C 1.234 176.149 174.900 0.026 0.000 1.141 337 G CA 0.915 46.023 45.100 0.013 0.000 0.763 337 G HN 0.431 nan 8.290 nan 0.000 0.554 338 D N 0.318 120.763 120.400 0.076 0.000 2.224 338 D HA -0.008 4.630 4.640 -0.003 0.000 0.205 338 D C 2.630 178.998 176.300 0.114 0.000 0.965 338 D CA 0.124 54.215 54.000 0.152 0.000 0.852 338 D CB -0.182 40.803 40.800 0.307 0.000 0.947 338 D HN 0.288 nan 8.370 nan 0.000 0.494 339 L N 0.395 121.556 121.223 -0.105 0.000 2.081 339 L HA -0.182 4.156 4.340 -0.003 0.000 0.212 339 L C 2.567 179.381 176.870 -0.094 0.000 1.080 339 L CA 1.125 55.798 54.840 -0.279 0.000 0.754 339 L CB -0.364 41.479 42.059 -0.361 0.000 0.893 339 L HN 0.026 nan 8.230 nan 0.000 0.433 340 R N 0.640 121.108 120.500 -0.054 0.000 2.092 340 R HA -0.133 4.205 4.340 -0.003 0.000 0.231 340 R C 2.332 178.639 176.300 0.012 0.000 1.119 340 R CA 0.989 57.074 56.100 -0.025 0.000 0.970 340 R CB -0.120 30.163 30.300 -0.028 0.000 0.864 340 R HN 0.324 nan 8.270 nan 0.000 0.440 341 L N 0.318 121.564 121.223 0.038 0.000 2.042 341 L HA -0.174 4.164 4.340 -0.003 0.000 0.210 341 L C 2.687 179.616 176.870 0.099 0.000 1.076 341 L CA 1.546 56.419 54.840 0.055 0.000 0.749 341 L CB -0.549 41.551 42.059 0.068 0.000 0.893 341 L HN 0.337 nan 8.230 nan 0.000 0.432 342 A N -0.308 122.618 122.820 0.176 0.000 1.929 342 A HA -0.056 4.262 4.320 -0.003 0.000 0.216 342 A C 2.526 180.272 177.584 0.270 0.000 1.176 342 A CA 1.338 53.582 52.037 0.345 0.000 0.628 342 A CB -0.607 18.667 19.000 0.456 0.000 0.816 342 A HN 0.382 nan 8.150 nan 0.000 0.444 343 A N -0.335 122.553 122.820 0.113 0.000 1.940 343 A HA -0.054 4.264 4.320 -0.003 0.000 0.219 343 A C 2.135 179.726 177.584 0.013 0.000 1.176 343 A CA 1.661 53.733 52.037 0.057 0.000 0.631 343 A CB -0.456 18.553 19.000 0.015 0.000 0.814 343 A HN 0.477 nan 8.150 nan 0.000 0.446 344 L N -1.792 119.427 121.223 -0.007 0.000 2.221 344 L HA 0.077 4.416 4.340 -0.003 0.000 0.202 344 L C 2.975 179.777 176.870 -0.112 0.000 1.074 344 L CA 0.720 55.509 54.840 -0.086 0.000 0.795 344 L CB -0.449 41.571 42.059 -0.066 0.000 0.960 344 L HN 0.357 nan 8.230 nan 0.000 0.458 345 A N -0.812 121.982 122.820 -0.043 0.000 1.972 345 A HA -0.206 4.112 4.320 -0.003 0.000 0.219 345 A C 2.043 179.542 177.584 -0.140 0.000 1.169 345 A CA 1.228 53.210 52.037 -0.091 0.000 0.635 345 A CB -0.752 18.201 19.000 -0.079 0.000 0.810 345 A HN 0.415 nan 8.150 nan 0.000 0.446 346 H N -0.504 118.521 119.070 -0.074 0.000 2.495 346 H HA 0.001 4.556 4.556 -0.003 0.000 0.287 346 H C 2.209 177.409 175.328 -0.213 0.000 1.033 346 H CA 1.222 57.227 56.048 -0.073 0.000 1.307 346 H CB 0.055 29.818 29.762 0.001 0.000 1.401 346 H HN 0.529 nan 8.280 nan 0.000 0.555 347 R N 0.171 120.448 120.500 -0.372 0.000 2.073 347 R HA -0.095 4.244 4.340 -0.003 0.000 0.234 347 R C -0.547 175.488 176.300 -0.441 0.000 1.134 347 R CA 1.171 56.693 56.100 -0.963 0.000 0.952 347 R CB -1.148 28.261 30.300 -1.485 0.000 0.850 347 R HN 0.297 nan 8.270 nan 0.000 0.433 348 P HA -0.111 nan 4.420 nan 0.000 0.221 348 P C 0.651 177.946 177.300 -0.007 0.000 1.145 348 P CA 1.405 64.450 63.100 -0.092 0.000 0.795 348 P CB 0.034 31.680 31.700 -0.088 0.000 0.775 349 A N -0.944 121.876 122.820 0.001 0.000 2.067 349 A HA -0.098 4.220 4.320 -0.003 0.000 0.219 349 A C 1.034 178.682 177.584 0.107 0.000 1.158 349 A CA 1.308 53.373 52.037 0.046 0.000 0.661 349 A CB -0.457 18.572 19.000 0.047 0.000 0.801 349 A HN 0.082 nan 8.150 nan 0.000 0.452 350 D N -1.289 119.233 120.400 0.204 0.000 2.613 350 D HA 0.211 4.849 4.640 -0.003 0.000 0.312 350 D C -2.201 174.352 176.300 0.421 0.000 1.202 350 D CA -1.085 53.086 54.000 0.284 0.000 0.825 350 D CB 0.842 41.831 40.800 0.316 0.000 1.113 350 D HN 0.101 nan 8.370 nan 0.000 0.502 351 P HA -0.120 nan 4.420 nan 0.000 0.217 351 P C 0.480 177.937 177.300 0.261 0.000 1.148 351 P CA 1.322 64.589 63.100 0.277 0.000 0.828 351 P CB 0.286 32.071 31.700 0.141 0.000 0.783 352 N N -1.372 117.415 118.700 0.145 0.000 2.204 352 N HA 0.093 4.831 4.740 -0.003 0.000 0.219 352 N C -0.234 175.246 175.510 -0.051 0.000 1.151 352 N CA -0.014 53.062 53.050 0.043 0.000 0.867 352 N CB 0.361 38.865 38.487 0.027 0.000 1.043 352 N HN 0.124 nan 8.380 nan 0.000 0.516 353 E N 0.591 120.733 120.200 -0.097 0.000 3.666 353 E HA 0.095 4.443 4.350 -0.003 0.000 0.230 353 E C -2.035 174.225 176.600 -0.565 0.000 1.235 353 E CA -1.438 54.829 56.400 -0.222 0.000 1.096 353 E CB 1.122 30.765 29.700 -0.094 0.000 1.287 353 E HN 0.116 nan 8.360 nan 0.000 0.406 354 P HA -0.268 nan 4.420 nan 0.000 0.220 354 P C 1.239 178.002 177.300 -0.894 0.000 1.144 354 P CA 1.294 63.298 63.100 -1.828 0.000 0.800 354 P CB 0.257 31.204 31.700 -1.256 0.000 0.772 355 E N 1.085 121.001 120.200 -0.474 0.000 2.338 355 E HA -0.163 4.186 4.350 -0.003 0.000 0.197 355 E C 1.454 177.969 176.600 -0.141 0.000 1.007 355 E CA 1.041 57.300 56.400 -0.234 0.000 0.849 355 E CB -0.490 29.116 29.700 -0.158 0.000 0.774 355 E HN 0.294 nan 8.360 nan 0.000 0.506 356 K N -0.195 120.113 120.400 -0.152 0.000 2.262 356 K HA 0.034 4.352 4.320 -0.003 0.000 0.200 356 K C 0.259 176.958 176.600 0.166 0.000 1.049 356 K CA -0.023 56.271 56.287 0.011 0.000 0.979 356 K CB 0.019 32.548 32.500 0.048 0.000 0.773 356 K HN 0.042 nan 8.250 nan 0.000 0.474 357 W N 2.415 123.713 121.300 -0.004 0.000 2.293 357 W HA 0.009 4.668 4.660 -0.003 0.000 0.342 357 W C 0.366 176.871 176.519 -0.023 0.000 1.274 357 W CA -0.766 56.581 57.345 0.003 0.000 1.290 357 W CB -0.399 29.073 29.460 0.021 0.000 1.176 357 W HN -0.034 nan 8.180 nan 0.000 0.570 358 L N 3.622 124.946 121.223 0.170 0.000 2.367 358 L HA 0.153 4.491 4.340 -0.003 0.000 0.275 358 L C 1.076 178.003 176.870 0.094 0.000 1.129 358 L CA -0.350 54.526 54.840 0.060 0.000 0.839 358 L CB 0.171 42.202 42.059 -0.047 0.000 1.133 358 L HN 0.435 nan 8.230 nan 0.000 0.453 359 S N 1.895 117.637 115.700 0.070 0.000 2.669 359 S HA 0.480 4.948 4.470 -0.003 0.000 0.270 359 S C 1.066 175.690 174.600 0.040 0.000 1.225 359 S CA -0.229 58.012 58.200 0.069 0.000 0.991 359 S CB 1.709 64.945 63.200 0.060 0.000 0.987 359 S HN 0.674 nan 8.310 nan 0.000 0.552 360 A N 1.425 124.267 122.820 0.036 0.000 1.908 360 A HA -0.104 4.215 4.320 -0.003 0.000 0.218 360 A C 2.352 179.956 177.584 0.033 0.000 1.181 360 A CA 1.427 53.471 52.037 0.012 0.000 0.627 360 A CB -0.800 18.204 19.000 0.007 0.000 0.818 360 A HN 0.901 nan 8.150 nan 0.000 0.445 361 R N -0.541 120.002 120.500 0.071 0.000 2.092 361 R HA -0.096 4.243 4.340 -0.003 0.000 0.231 361 R C 2.124 178.503 176.300 0.131 0.000 1.119 361 R CA 1.436 57.630 56.100 0.155 0.000 0.970 361 R CB -0.292 30.098 30.300 0.150 0.000 0.864 361 R HN 0.680 nan 8.270 nan 0.000 0.440 362 E N 0.664 120.899 120.200 0.058 0.000 2.077 362 E HA -0.172 4.176 4.350 -0.003 0.000 0.193 362 E C 2.002 178.573 176.600 -0.048 0.000 0.989 362 E CA 1.001 57.407 56.400 0.010 0.000 0.800 362 E CB -0.033 29.676 29.700 0.015 0.000 0.746 362 E HN 0.276 nan 8.360 nan 0.000 0.452 363 L N 0.423 121.613 121.223 -0.054 0.000 2.056 363 L HA -0.173 4.166 4.340 -0.003 0.000 0.207 363 L C 2.403 179.151 176.870 -0.203 0.000 1.078 363 L CA 0.790 55.551 54.840 -0.133 0.000 0.749 363 L CB -0.276 41.691 42.059 -0.152 0.000 0.901 363 L HN 0.150 nan 8.230 nan 0.000 0.433 364 L N -0.543 120.601 121.223 -0.131 0.000 2.131 364 L HA -0.219 4.119 4.340 -0.003 0.000 0.210 364 L C 2.795 179.396 176.870 -0.449 0.000 1.092 364 L CA 1.126 55.895 54.840 -0.118 0.000 0.759 364 L CB -0.453 41.713 42.059 0.179 0.000 0.903 364 L HN 0.237 nan 8.230 nan 0.000 0.435 365 R N 0.144 120.255 120.500 -0.648 0.000 2.081 365 R HA -0.156 4.182 4.340 -0.003 0.000 0.235 365 R C 2.359 178.368 176.300 -0.484 0.000 1.131 365 R CA 1.420 56.907 56.100 -1.021 0.000 0.960 365 R CB -0.128 29.831 30.300 -0.568 0.000 0.856 365 R HN 0.256 nan 8.270 nan 0.000 0.436 366 M N -0.214 119.239 119.600 -0.246 0.000 2.108 366 M HA -0.126 4.352 4.480 -0.003 0.000 0.261 366 M C 2.251 178.517 176.300 -0.056 0.000 1.066 366 M CA 1.903 57.155 55.300 -0.079 0.000 1.107 366 M CB -0.155 32.482 32.600 0.061 0.000 1.356 366 M HN 0.276 nan 8.290 nan 0.000 0.406 367 A N -0.324 122.421 122.820 -0.126 0.000 2.206 367 A HA -0.033 4.285 4.320 -0.003 0.000 0.211 367 A C 1.853 179.403 177.584 -0.057 0.000 1.158 367 A CA 1.546 53.550 52.037 -0.055 0.000 0.761 367 A CB -0.689 18.236 19.000 -0.125 0.000 0.801 367 A HN 0.611 nan 8.150 nan 0.000 0.473 368 T N -3.625 110.839 114.554 -0.150 0.000 3.409 368 T HA 0.147 4.495 4.350 -0.003 0.000 0.188 368 T C 1.774 176.400 174.700 -0.124 0.000 0.929 368 T CA 0.407 62.441 62.100 -0.110 0.000 1.184 368 T CB -0.217 68.595 68.868 -0.094 0.000 1.570 368 T HN 0.171 nan 8.240 nan 0.000 0.367 369 R N 1.351 121.734 120.500 -0.195 0.000 2.096 369 R HA 0.051 4.390 4.340 -0.003 0.000 0.235 369 R C 2.560 178.791 176.300 -0.115 0.000 1.127 369 R CA 1.679 57.707 56.100 -0.121 0.000 0.968 369 R CB -0.974 29.262 30.300 -0.107 0.000 0.861 369 R HN 0.582 nan 8.270 nan 0.000 0.440 370 G N -0.690 108.028 108.800 -0.136 0.000 2.404 370 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.215 370 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.215 370 G C 1.411 176.258 174.900 -0.090 0.000 1.174 370 G CA 0.774 45.824 45.100 -0.084 0.000 0.780 370 G HN 0.311 nan 8.290 nan 0.000 0.537 371 S N 1.001 116.645 115.700 -0.094 0.000 2.368 371 S HA 0.007 4.475 4.470 -0.003 0.000 0.225 371 S C 2.810 177.266 174.600 -0.240 0.000 1.030 371 S CA 1.141 59.254 58.200 -0.146 0.000 0.999 371 S CB -0.395 62.749 63.200 -0.093 0.000 0.844 371 S HN 0.584 nan 8.310 nan 0.000 0.459 372 A N 1.697 124.409 122.820 -0.180 0.000 1.892 372 A HA -0.225 4.094 4.320 -0.003 0.000 0.218 372 A C 1.978 179.438 177.584 -0.206 0.000 1.188 372 A CA 1.828 53.754 52.037 -0.185 0.000 0.631 372 A CB -0.638 18.302 19.000 -0.101 0.000 0.822 372 A HN 0.599 nan 8.150 nan 0.000 0.447 373 E N -1.048 119.055 120.200 -0.161 0.000 2.106 373 E HA -0.146 4.202 4.350 -0.003 0.000 0.192 373 E C 2.035 178.518 176.600 -0.195 0.000 0.984 373 E CA 1.011 57.329 56.400 -0.137 0.000 0.806 373 E CB -0.413 29.239 29.700 -0.079 0.000 0.750 373 E HN 0.680 nan 8.360 nan 0.000 0.458 374 C N 0.588 119.724 119.300 -0.274 0.000 2.413 374 C HA -0.128 4.330 4.460 -0.003 0.000 0.276 374 C C 2.123 176.626 174.990 -0.812 0.000 1.248 374 C CA 0.448 59.202 59.018 -0.440 0.000 1.742 374 C CB -0.614 26.788 27.740 -0.562 0.000 2.017 374 C HN 0.344 nan 8.230 nan 0.000 0.481 375 L N 0.547 121.271 121.223 -0.832 0.000 2.591 375 L HA 0.233 4.571 4.340 -0.003 0.000 0.228 375 L C 1.815 178.446 176.870 -0.398 0.000 1.133 375 L CA 1.337 55.619 54.840 -0.930 0.000 0.880 375 L CB -1.370 40.126 42.059 -0.938 0.000 1.033 375 L HN 0.499 nan 8.230 nan 0.000 0.450 376 G N 0.522 109.161 108.800 -0.267 0.000 2.246 376 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.273 376 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.273 376 G C 0.254 175.107 174.900 -0.079 0.000 1.055 376 G CA -0.132 44.898 45.100 -0.116 0.000 0.851 376 G HN 0.197 nan 8.290 nan 0.000 0.500 377 R N -0.519 119.916 120.500 -0.108 0.000 2.332 377 R HA 0.323 4.662 4.340 -0.003 0.000 0.306 377 R C -1.987 174.276 176.300 -0.061 0.000 1.117 377 R CA -2.081 53.977 56.100 -0.070 0.000 1.108 377 R CB 1.391 31.647 30.300 -0.074 0.000 1.126 377 R HN 0.123 nan 8.270 nan 0.000 0.548 378 P HA -0.059 nan 4.420 nan 0.000 0.237 378 P C 0.333 177.615 177.300 -0.031 0.000 1.178 378 P CA 0.757 63.832 63.100 -0.042 0.000 0.766 378 P CB 0.328 32.001 31.700 -0.046 0.000 0.876 379 D N -1.364 119.009 120.400 -0.045 0.000 2.339 379 D HA 0.036 4.674 4.640 -0.003 0.000 0.217 379 D C 0.515 176.864 176.300 0.082 0.000 1.050 379 D CA 0.280 54.274 54.000 -0.010 0.000 0.856 379 D CB -0.127 40.577 40.800 -0.159 0.000 0.922 379 D HN 0.189 nan 8.370 nan 0.000 0.518 380 L N -2.082 119.166 121.223 0.042 0.000 2.257 380 L HA 0.639 4.977 4.340 -0.003 0.000 0.257 380 L C 1.304 178.195 176.870 0.036 0.000 1.033 380 L CA -0.863 54.007 54.840 0.051 0.000 0.835 380 L CB 1.952 44.022 42.059 0.019 0.000 1.398 380 L HN 0.021 nan 8.230 nan 0.000 0.429 381 G N 0.358 109.187 108.800 0.048 0.000 2.179 381 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.260 381 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.260 381 G C -0.303 174.663 174.900 0.110 0.000 0.977 381 G CA 0.108 45.237 45.100 0.048 0.000 0.641 381 G HN 0.358 nan 8.290 nan 0.000 0.533 382 V N 1.083 121.067 119.914 0.115 0.000 2.686 382 V HA 0.493 4.612 4.120 -0.003 0.000 0.306 382 V C 0.367 176.526 176.094 0.109 0.000 1.065 382 V CA -0.824 61.560 62.300 0.140 0.000 0.894 382 V CB 1.941 33.830 31.823 0.109 0.000 1.004 382 V HN 0.251 nan 8.190 nan 0.000 0.424 383 L N 5.842 127.125 121.223 0.100 0.000 2.375 383 L HA 0.512 4.850 4.340 -0.003 0.000 0.276 383 L C 0.382 177.278 176.870 0.045 0.000 1.162 383 L CA 0.364 55.242 54.840 0.062 0.000 0.991 383 L CB -0.239 41.845 42.059 0.042 0.000 1.315 383 L HN 0.875 nan 8.230 nan 0.000 0.431 384 E N 1.822 122.052 120.200 0.051 0.000 2.430 384 E HA 0.236 4.584 4.350 -0.003 0.000 0.279 384 E C -1.103 175.524 176.600 0.045 0.000 1.003 384 E CA -1.001 55.424 56.400 0.041 0.000 0.801 384 E CB 1.303 31.029 29.700 0.043 0.000 1.313 384 E HN 0.275 nan 8.360 nan 0.000 0.459 385 E N 0.173 120.395 120.200 0.037 0.000 2.558 385 E HA 0.115 4.464 4.350 -0.003 0.000 0.255 385 E C 0.617 177.254 176.600 0.062 0.000 0.968 385 E CA 1.718 58.141 56.400 0.039 0.000 0.939 385 E CB -0.130 29.588 29.700 0.030 0.000 0.921 385 E HN 0.854 nan 8.360 nan 0.000 0.477 386 G N 4.438 113.287 108.800 0.082 0.000 2.213 386 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.236 386 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.236 386 G C 0.326 175.366 174.900 0.234 0.000 0.991 386 G CA 0.109 45.293 45.100 0.141 0.000 0.629 386 G HN 0.542 nan 8.290 nan 0.000 0.517 387 R N 0.695 121.305 120.500 0.182 0.000 2.546 387 R HA 0.702 5.040 4.340 -0.003 0.000 0.266 387 R C 0.755 177.217 176.300 0.269 0.000 1.086 387 R CA 0.067 56.311 56.100 0.240 0.000 1.160 387 R CB 0.411 30.794 30.300 0.139 0.000 1.138 387 R HN 0.632 nan 8.270 nan 0.000 0.567 388 A N 0.661 123.684 122.820 0.338 0.000 2.462 388 A HA 0.334 4.652 4.320 -0.003 0.000 0.243 388 A C 0.394 177.998 177.584 0.033 0.000 1.076 388 A CA 0.097 52.233 52.037 0.166 0.000 0.773 388 A CB 0.185 19.358 19.000 0.287 0.000 1.010 388 A HN 0.756 nan 8.150 nan 0.000 0.493 389 A N 3.052 125.833 122.820 -0.065 0.000 3.048 389 A HA 0.407 4.725 4.320 -0.003 0.000 0.264 389 A C -0.607 176.969 177.584 -0.013 0.000 1.796 389 A CA -0.198 51.813 52.037 -0.042 0.000 1.445 389 A CB -0.797 18.156 19.000 -0.078 0.000 1.074 389 A HN 0.629 nan 8.150 nan 0.000 0.621 390 D N 0.928 121.341 120.400 0.022 0.000 2.414 390 D HA 0.619 5.258 4.640 -0.003 0.000 0.232 390 D C -0.536 175.786 176.300 0.036 0.000 1.070 390 D CA 0.334 54.352 54.000 0.030 0.000 0.839 390 D CB 1.077 41.909 40.800 0.053 0.000 1.079 390 D HN 0.377 nan 8.370 nan 0.000 0.521 391 I N 1.246 121.825 120.570 0.014 0.000 2.656 391 I HA 0.640 4.808 4.170 -0.003 0.000 0.292 391 I C -0.713 175.387 176.117 -0.028 0.000 1.144 391 I CA -0.936 60.372 61.300 0.014 0.000 1.038 391 I CB 2.227 40.226 38.000 -0.001 0.000 1.244 391 I HN 0.299 nan 8.210 nan 0.000 0.420 392 A N 4.830 127.642 122.820 -0.014 0.000 2.356 392 A HA 0.836 5.154 4.320 -0.003 0.000 0.310 392 A C -1.157 176.303 177.584 -0.208 0.000 1.075 392 A CA -0.413 51.505 52.037 -0.197 0.000 0.746 392 A CB 1.215 20.113 19.000 -0.169 0.000 1.221 392 A HN 0.762 nan 8.150 nan 0.000 0.443 393 C N 2.204 121.253 119.300 -0.418 0.000 2.498 393 C HA 0.737 5.195 4.460 -0.003 0.000 0.316 393 C C -0.578 174.196 174.990 -0.359 0.000 1.209 393 C CA -0.843 58.069 59.018 -0.177 0.000 1.518 393 C CB 0.543 28.231 27.740 -0.087 0.000 2.147 393 C HN 0.813 nan 8.230 nan 0.000 0.483 394 W N 1.687 122.991 121.300 0.006 0.000 2.666 394 W HA 0.492 5.151 4.660 -0.002 0.000 0.334 394 W C 0.013 176.533 176.519 0.001 0.000 1.051 394 W CA -0.716 56.633 57.345 0.005 0.000 1.224 394 W CB 1.189 30.653 29.460 0.007 0.000 1.405 394 W HN 0.540 nan 8.180 nan 0.000 0.513 395 R N 2.132 122.748 120.500 0.192 0.000 2.490 395 R HA 0.244 4.582 4.340 -0.003 0.000 0.280 395 R C 0.694 177.064 176.300 0.116 0.000 1.077 395 R CA -0.179 55.989 56.100 0.114 0.000 1.065 395 R CB 1.015 31.355 30.300 0.067 0.000 1.003 395 R HN 0.476 nan 8.270 nan 0.000 0.470 396 L N 1.416 122.682 121.223 0.073 0.000 2.766 396 L HA 0.070 4.409 4.340 -0.003 0.000 0.242 396 L C 0.370 177.255 176.870 0.025 0.000 1.136 396 L CA 0.154 55.022 54.840 0.048 0.000 0.933 396 L CB 0.142 42.222 42.059 0.035 0.000 1.241 396 L HN 0.621 nan 8.230 nan 0.000 0.522 397 D N -0.523 119.892 120.400 0.025 0.000 2.525 397 D HA 0.139 4.778 4.640 -0.003 0.000 0.229 397 D C 0.806 177.114 176.300 0.013 0.000 1.202 397 D CA -0.167 53.840 54.000 0.013 0.000 0.828 397 D CB 0.053 40.859 40.800 0.010 0.000 1.008 397 D HN 0.023 nan 8.370 nan 0.000 0.493 398 G N -0.414 108.398 108.800 0.020 0.000 2.476 398 G HA2 0.276 4.234 3.960 -0.003 0.000 0.286 398 G HA3 0.276 4.234 3.960 -0.003 0.000 0.286 398 G C 0.796 175.702 174.900 0.011 0.000 1.177 398 G CA -0.656 44.456 45.100 0.019 0.000 0.870 398 G HN 0.091 nan 8.290 nan 0.000 0.528 399 V N 0.477 120.396 119.914 0.010 0.000 2.759 399 V HA -0.085 4.033 4.120 -0.003 0.000 0.256 399 V C 2.114 178.211 176.094 0.004 0.000 1.080 399 V CA 2.392 64.695 62.300 0.005 0.000 1.101 399 V CB -0.444 31.383 31.823 0.006 0.000 0.698 399 V HN 0.817 nan 8.190 nan 0.000 0.477 400 D N -0.453 119.952 120.400 0.009 0.000 2.363 400 D HA -0.099 4.540 4.640 -0.003 0.000 0.226 400 D C 1.596 177.897 176.300 0.003 0.000 1.020 400 D CA 0.488 54.492 54.000 0.008 0.000 0.892 400 D CB -0.295 40.513 40.800 0.013 0.000 0.900 400 D HN 0.490 nan 8.370 nan 0.000 0.531 401 R N 0.174 120.674 120.500 -0.000 0.000 2.600 401 R HA 0.244 4.583 4.340 -0.003 0.000 0.392 401 R C -0.303 175.982 176.300 -0.025 0.000 1.032 401 R CA -0.325 55.770 56.100 -0.010 0.000 1.139 401 R CB 1.487 31.785 30.300 -0.003 0.000 1.400 401 R HN -0.007 nan 8.270 nan 0.000 0.566 402 V N 0.694 120.593 119.914 -0.024 0.000 2.715 402 V HA 0.200 4.318 4.120 -0.003 0.000 0.299 402 V C 1.448 177.508 176.094 -0.057 0.000 1.054 402 V CA 1.395 63.672 62.300 -0.039 0.000 1.077 402 V CB 1.184 32.993 31.823 -0.024 0.000 0.972 402 V HN 0.762 nan 8.190 nan 0.000 0.484 403 G N 3.475 112.210 108.800 -0.109 0.000 2.195 403 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.246 403 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.246 403 G C 0.130 174.877 174.900 -0.253 0.000 0.984 403 G CA -0.019 44.986 45.100 -0.158 0.000 0.633 403 G HN 0.761 nan 8.290 nan 0.000 0.525 404 V N 2.389 122.196 119.914 -0.178 0.000 2.529 404 V HA 0.232 4.351 4.120 -0.003 0.000 0.292 404 V C 1.571 177.529 176.094 -0.226 0.000 1.028 404 V CA 0.237 62.463 62.300 -0.123 0.000 1.074 404 V CB 0.984 32.774 31.823 -0.055 0.000 0.958 404 V HN 0.400 nan 8.190 nan 0.000 0.481 405 H N 1.984 121.055 119.070 0.001 0.000 2.553 405 H HA 0.152 4.707 4.556 -0.003 0.000 0.276 405 H C 0.314 175.641 175.328 -0.002 0.000 0.979 405 H CA 0.332 56.381 56.048 0.001 0.000 1.268 405 H CB 0.847 30.611 29.762 0.002 0.000 1.450 405 H HN 0.608 nan 8.280 nan 0.000 0.527 406 D N 0.367 120.825 120.400 0.097 0.000 2.549 406 D HA 0.138 4.776 4.640 -0.003 0.000 0.251 406 D C -2.102 174.207 176.300 0.016 0.000 1.153 406 D CA -2.087 51.942 54.000 0.048 0.000 0.861 406 D CB 2.474 43.301 40.800 0.046 0.000 1.207 406 D HN -0.082 nan 8.370 nan 0.000 0.543 407 P HA -0.062 nan 4.420 nan 0.000 0.216 407 P C 1.038 178.322 177.300 -0.026 0.000 1.150 407 P CA 1.133 64.227 63.100 -0.011 0.000 0.837 407 P CB 0.326 32.023 31.700 -0.004 0.000 0.786 408 A N -0.586 122.219 122.820 -0.024 0.000 1.873 408 A HA -0.145 4.174 4.320 -0.003 0.000 0.215 408 A C 2.210 179.772 177.584 -0.037 0.000 1.186 408 A CA 1.342 53.358 52.037 -0.035 0.000 0.616 408 A CB -1.529 17.458 19.000 -0.022 0.000 0.823 408 A HN 0.106 nan 8.150 nan 0.000 0.442 409 I N -0.243 120.319 120.570 -0.014 0.000 2.315 409 I HA -0.171 3.997 4.170 -0.003 0.000 0.248 409 I C 2.660 178.763 176.117 -0.024 0.000 1.117 409 I CA 1.015 62.310 61.300 -0.009 0.000 1.404 409 I CB -0.577 37.433 38.000 0.017 0.000 1.071 409 I HN 0.395 nan 8.210 nan 0.000 0.419 410 G N 1.051 109.837 108.800 -0.023 0.000 2.422 410 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.218 410 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.218 410 G C 1.644 176.502 174.900 -0.070 0.000 1.146 410 G CA 0.421 45.502 45.100 -0.032 0.000 0.769 410 G HN 0.238 nan 8.290 nan 0.000 0.547 411 L N -0.141 121.016 121.223 -0.109 0.000 2.131 411 L HA 0.054 4.393 4.340 -0.003 0.000 0.210 411 L C 2.328 179.070 176.870 -0.212 0.000 1.092 411 L CA 1.386 56.101 54.840 -0.209 0.000 0.759 411 L CB -0.165 41.718 42.059 -0.293 0.000 0.903 411 L HN 0.165 nan 8.230 nan 0.000 0.435 412 I N -1.735 118.748 120.570 -0.145 0.000 2.927 412 I HA -0.023 4.145 4.170 -0.003 0.000 0.268 412 I C 1.738 177.812 176.117 -0.072 0.000 1.153 412 I CA 0.772 62.001 61.300 -0.119 0.000 1.459 412 I CB -0.161 37.780 38.000 -0.100 0.000 1.149 412 I HN 0.132 nan 8.210 nan 0.000 0.443 413 M N -0.216 119.354 119.600 -0.049 0.000 2.428 413 M HA 0.234 4.712 4.480 -0.003 0.000 0.239 413 M C 0.578 176.867 176.300 -0.019 0.000 1.121 413 M CA 0.301 55.587 55.300 -0.024 0.000 1.019 413 M CB -1.047 31.550 32.600 -0.004 0.000 1.485 413 M HN 0.293 nan 8.290 nan 0.000 0.484 414 T N -2.089 112.448 114.554 -0.029 0.000 2.883 414 T HA 0.813 5.161 4.350 -0.003 0.000 0.296 414 T C 0.011 174.698 174.700 -0.022 0.000 1.117 414 T CA -0.218 61.871 62.100 -0.018 0.000 1.006 414 T CB 2.736 71.597 68.868 -0.012 0.000 1.191 414 T HN 0.403 nan 8.240 nan 0.000 0.508 415 G N -0.096 108.700 108.800 -0.007 0.000 2.592 415 G HA2 0.107 4.066 3.960 -0.003 0.000 0.685 415 G HA3 0.107 4.066 3.960 -0.003 0.000 0.685 415 G C -0.144 174.762 174.900 0.010 0.000 1.278 415 G CA -0.426 44.675 45.100 0.002 0.000 0.822 415 G HN 0.961 nan 8.290 nan 0.000 0.652 416 L N 0.203 121.438 121.223 0.020 0.000 2.477 416 L HA 0.397 4.735 4.340 -0.003 0.000 0.220 416 L C 1.409 178.300 176.870 0.034 0.000 1.106 416 L CA 1.201 56.055 54.840 0.023 0.000 0.851 416 L CB 0.405 42.477 42.059 0.022 0.000 0.994 416 L HN 0.614 nan 8.230 nan 0.000 0.462 417 S N -1.224 114.504 115.700 0.046 0.000 2.548 417 S HA 0.280 4.748 4.470 -0.003 0.000 0.276 417 S C -0.459 174.203 174.600 0.103 0.000 1.129 417 S CA -0.705 57.538 58.200 0.070 0.000 0.931 417 S CB 1.444 64.689 63.200 0.075 0.000 1.068 417 S HN 0.041 nan 8.310 nan 0.000 0.480 418 D N 1.943 122.419 120.400 0.127 0.000 2.368 418 D HA 0.151 4.789 4.640 -0.003 0.000 0.218 418 D C 0.031 176.556 176.300 0.375 0.000 1.112 418 D CA -0.084 54.036 54.000 0.200 0.000 0.834 418 D CB 0.279 41.159 40.800 0.133 0.000 0.953 418 D HN 0.280 nan 8.370 nan 0.000 0.505 419 R N 1.372 122.020 120.500 0.247 0.000 2.421 419 R HA 0.292 4.631 4.340 -0.003 0.000 0.305 419 R C 0.259 176.620 176.300 0.100 0.000 1.039 419 R CA -0.094 56.101 56.100 0.158 0.000 1.003 419 R CB 0.362 30.711 30.300 0.081 0.000 0.959 419 R HN -0.001 nan 8.270 nan 0.000 0.427 420 A N 2.084 124.817 122.820 -0.144 0.000 2.386 420 A HA 0.107 4.426 4.320 -0.003 0.000 0.248 420 A C 1.286 178.640 177.584 -0.382 0.000 1.082 420 A CA 0.121 51.729 52.037 -0.715 0.000 0.789 420 A CB 0.721 19.180 19.000 -0.903 0.000 1.025 420 A HN 0.765 nan 8.150 nan 0.000 0.490 421 S N 0.061 115.522 115.700 -0.398 0.000 2.452 421 S HA 0.200 4.669 4.470 -0.003 0.000 0.225 421 S C 0.262 174.752 174.600 -0.183 0.000 1.057 421 S CA 0.666 58.749 58.200 -0.195 0.000 0.949 421 S CB -0.286 62.845 63.200 -0.115 0.000 0.836 421 S HN 0.898 nan 8.310 nan 0.000 0.518 422 L N 2.102 123.184 121.223 -0.234 0.000 2.409 422 L HA 0.731 5.070 4.340 -0.003 0.000 0.272 422 L C -1.739 175.005 176.870 -0.211 0.000 0.980 422 L CA -0.457 54.279 54.840 -0.173 0.000 0.826 422 L CB 2.074 44.062 42.059 -0.117 0.000 1.268 422 L HN 0.033 nan 8.230 nan 0.000 0.407 423 V N 5.350 125.169 119.914 -0.158 0.000 2.623 423 V HA 0.656 4.775 4.120 -0.003 0.000 0.304 423 V C -0.878 175.166 176.094 -0.083 0.000 1.054 423 V CA -0.660 61.555 62.300 -0.142 0.000 0.882 423 V CB 2.153 33.888 31.823 -0.148 0.000 1.002 423 V HN 0.497 nan 8.190 nan 0.000 0.424 424 V N 5.010 124.886 119.914 -0.063 0.000 2.531 424 V HA 0.631 4.750 4.120 -0.003 0.000 0.301 424 V C -0.531 175.548 176.094 -0.024 0.000 1.034 424 V CA -0.647 61.628 62.300 -0.042 0.000 0.865 424 V CB 2.047 33.847 31.823 -0.039 0.000 0.995 424 V HN 0.595 nan 8.190 nan 0.000 0.424 425 V N 3.728 123.632 119.914 -0.017 0.000 2.531 425 V HA 0.493 4.611 4.120 -0.003 0.000 0.301 425 V C 0.518 176.608 176.094 -0.006 0.000 1.034 425 V CA -0.742 61.559 62.300 0.001 0.000 0.865 425 V CB 1.311 33.142 31.823 0.015 0.000 0.995 425 V HN 0.993 nan 8.190 nan 0.000 0.424 426 N N 3.456 122.153 118.700 -0.005 0.000 2.721 426 N HA -0.209 4.529 4.740 -0.003 0.000 0.249 426 N C 1.080 176.549 175.510 -0.068 0.000 1.072 426 N CA 1.873 54.903 53.050 -0.033 0.000 0.710 426 N CB -0.952 37.535 38.487 -0.000 0.000 0.993 426 N HN 1.670 nan 8.380 nan 0.000 0.547 427 G N -1.442 107.318 108.800 -0.067 0.000 2.179 427 G HA2 -0.373 3.586 3.960 -0.003 0.000 0.260 427 G HA3 -0.373 3.586 3.960 -0.003 0.000 0.260 427 G C -0.153 174.716 174.900 -0.051 0.000 0.977 427 G CA 0.569 45.626 45.100 -0.071 0.000 0.641 427 G HN 0.749 nan 8.290 nan 0.000 0.533 428 Q N 0.593 120.370 119.800 -0.039 0.000 2.314 428 Q HA 0.560 4.898 4.340 -0.003 0.000 0.259 428 Q C 0.197 176.178 176.000 -0.032 0.000 0.951 428 Q CA -0.732 55.052 55.803 -0.032 0.000 0.909 428 Q CB 1.481 30.205 28.738 -0.024 0.000 1.236 428 Q HN 0.195 nan 8.270 nan 0.000 0.444 429 V N 6.846 126.740 119.914 -0.034 0.000 2.450 429 V HA -0.033 4.086 4.120 -0.003 0.000 0.281 429 V C 0.914 176.986 176.094 -0.035 0.000 1.019 429 V CA 0.666 62.943 62.300 -0.038 0.000 1.062 429 V CB 0.412 32.212 31.823 -0.037 0.000 0.979 429 V HN 0.904 nan 8.190 nan 0.000 0.477 430 L N 4.895 126.093 121.223 -0.040 0.000 2.609 430 L HA 0.316 4.655 4.340 -0.003 0.000 0.230 430 L C -0.007 176.837 176.870 -0.043 0.000 1.064 430 L CA 0.416 55.234 54.840 -0.036 0.000 0.873 430 L CB 0.857 42.898 42.059 -0.031 0.000 1.139 430 L HN 0.438 nan 8.230 nan 0.000 0.490 431 V N 0.137 120.015 119.914 -0.059 0.000 2.638 431 V HA 0.428 4.547 4.120 -0.003 0.000 0.306 431 V C -1.007 175.042 176.094 -0.076 0.000 1.052 431 V CA -0.595 61.663 62.300 -0.069 0.000 0.885 431 V CB 2.457 34.225 31.823 -0.092 0.000 0.999 431 V HN 0.103 nan 8.190 nan 0.000 0.424 432 E N 2.822 122.984 120.200 -0.063 0.000 2.321 432 E HA 0.449 4.797 4.350 -0.003 0.000 0.278 432 E C -0.240 176.330 176.600 -0.051 0.000 0.902 432 E CA -0.578 55.786 56.400 -0.060 0.000 0.758 432 E CB 1.435 31.107 29.700 -0.046 0.000 1.213 432 E HN 0.749 nan 8.360 nan 0.000 0.426 433 N N 3.439 122.108 118.700 -0.051 0.000 2.735 433 N HA -0.233 4.506 4.740 -0.003 0.000 0.248 433 N C -0.794 174.693 175.510 -0.039 0.000 1.083 433 N CA 1.052 54.079 53.050 -0.038 0.000 0.703 433 N CB -0.663 37.809 38.487 -0.026 0.000 1.005 433 N HN 0.789 nan 8.380 nan 0.000 0.550 434 E N -2.676 117.489 120.200 -0.058 0.000 3.286 434 E HA -0.291 4.057 4.350 -0.003 0.000 0.292 434 E C -0.359 176.218 176.600 -0.038 0.000 0.928 434 E CA 0.869 57.237 56.400 -0.052 0.000 0.982 434 E CB -0.580 29.103 29.700 -0.028 0.000 1.500 434 E HN 0.500 nan 8.360 nan 0.000 0.441 435 R N -0.084 120.393 120.500 -0.039 0.000 2.686 435 R HA 0.373 4.712 4.340 -0.003 0.000 0.283 435 R C -2.769 173.512 176.300 -0.032 0.000 0.978 435 R CA -2.280 53.803 56.100 -0.029 0.000 0.897 435 R CB 1.634 31.921 30.300 -0.021 0.000 1.192 435 R HN -0.207 nan 8.270 nan 0.000 0.457 436 P HA -0.091 nan 4.420 nan 0.000 0.264 436 P C 0.844 178.130 177.300 -0.024 0.000 1.193 436 P CA 0.104 63.189 63.100 -0.025 0.000 0.763 436 P CB 0.655 32.344 31.700 -0.019 0.000 0.810 437 V N 2.133 122.031 119.914 -0.026 0.000 3.174 437 V HA 0.024 4.142 4.120 -0.003 0.000 0.254 437 V C 1.261 177.344 176.094 -0.019 0.000 1.120 437 V CA 1.075 63.361 62.300 -0.023 0.000 1.114 437 V CB -0.892 30.915 31.823 -0.026 0.000 0.756 437 V HN 0.364 nan 8.190 nan 0.000 0.467 438 L N 0.618 121.830 121.223 -0.019 0.000 2.445 438 L HA 0.610 4.949 4.340 -0.003 0.000 0.207 438 L C 1.619 178.480 176.870 -0.015 0.000 1.053 438 L CA 0.601 55.431 54.840 -0.016 0.000 0.841 438 L CB -0.297 41.752 42.059 -0.017 0.000 1.074 438 L HN 0.288 nan 8.230 nan 0.000 0.479 439 A N 0.326 123.137 122.820 -0.016 0.000 2.371 439 A HA 0.120 4.438 4.320 -0.003 0.000 0.257 439 A C -0.440 177.137 177.584 -0.012 0.000 1.089 439 A CA -0.199 51.830 52.037 -0.014 0.000 0.794 439 A CB 0.209 19.200 19.000 -0.015 0.000 1.029 439 A HN 0.150 nan 8.150 nan 0.000 0.488 440 D N 2.838 123.232 120.400 -0.011 0.000 2.453 440 D HA 0.111 4.749 4.640 -0.003 0.000 0.223 440 D C 1.124 177.419 176.300 -0.007 0.000 1.183 440 D CA -0.106 53.889 54.000 -0.009 0.000 0.933 440 D CB 0.339 41.135 40.800 -0.008 0.000 1.038 440 D HN 0.542 nan 8.370 nan 0.000 0.513 441 L N 3.337 124.556 121.223 -0.007 0.000 1.971 441 L HA -0.269 4.069 4.340 -0.003 0.000 0.215 441 L C 1.693 178.561 176.870 -0.003 0.000 1.072 441 L CA 1.636 56.473 54.840 -0.005 0.000 0.758 441 L CB 0.131 42.188 42.059 -0.004 0.000 0.889 441 L HN 0.324 nan 8.230 nan 0.000 0.433 442 E N -0.638 119.560 120.200 -0.003 0.000 2.110 442 E HA -0.238 4.111 4.350 -0.003 0.000 0.193 442 E C 2.168 178.767 176.600 -0.002 0.000 0.988 442 E CA 1.059 57.458 56.400 -0.002 0.000 0.804 442 E CB -0.200 29.498 29.700 -0.002 0.000 0.745 442 E HN 0.308 nan 8.360 nan 0.000 0.458 443 R N 0.385 120.883 120.500 -0.004 0.000 2.075 443 R HA -0.065 4.273 4.340 -0.003 0.000 0.232 443 R C 2.178 178.476 176.300 -0.004 0.000 1.126 443 R CA 1.145 57.242 56.100 -0.004 0.000 0.963 443 R CB -0.248 30.049 30.300 -0.005 0.000 0.858 443 R HN 0.207 nan 8.270 nan 0.000 0.435 444 I N 0.431 120.999 120.570 -0.004 0.000 2.226 444 I HA -0.255 3.914 4.170 -0.003 0.000 0.245 444 I C 2.221 178.338 176.117 -0.001 0.000 1.100 444 I CA 0.934 62.231 61.300 -0.004 0.000 1.374 444 I CB -0.072 37.925 38.000 -0.005 0.000 1.057 444 I HN 0.029 nan 8.210 nan 0.000 0.413 445 V N 0.979 120.893 119.914 0.001 0.000 2.295 445 V HA -0.296 3.822 4.120 -0.003 0.000 0.246 445 V C 2.710 178.804 176.094 0.000 0.000 1.049 445 V CA 2.011 64.312 62.300 0.002 0.000 1.024 445 V CB -1.105 30.720 31.823 0.003 0.000 0.648 445 V HN 0.491 nan 8.190 nan 0.000 0.447 446 A N 0.476 123.295 122.820 -0.002 0.000 1.877 446 A HA -0.231 4.088 4.320 -0.003 0.000 0.216 446 A C 2.083 179.664 177.584 -0.004 0.000 1.186 446 A CA 2.158 54.193 52.037 -0.003 0.000 0.620 446 A CB -0.706 18.292 19.000 -0.003 0.000 0.822 446 A HN 0.580 nan 8.150 nan 0.000 0.443 447 N N -0.288 118.410 118.700 -0.004 0.000 2.084 447 N HA -0.093 4.645 4.740 -0.003 0.000 0.190 447 N C 1.750 177.258 175.510 -0.003 0.000 1.030 447 N CA 1.998 55.046 53.050 -0.004 0.000 0.849 447 N CB -0.880 37.605 38.487 -0.004 0.000 1.012 447 N HN 0.487 nan 8.380 nan 0.000 0.423 448 T N 0.131 114.685 114.554 -0.001 0.000 2.821 448 T HA -0.053 4.296 4.350 -0.003 0.000 0.267 448 T C 1.826 176.524 174.700 -0.003 0.000 1.046 448 T CA 1.393 63.495 62.100 0.002 0.000 1.139 448 T CB -0.495 68.378 68.868 0.008 0.000 0.871 448 T HN 0.285 nan 8.240 nan 0.000 0.454 449 T N 2.095 116.646 114.554 -0.005 0.000 2.833 449 T HA -0.030 4.318 4.350 -0.003 0.000 0.269 449 T C 2.290 176.977 174.700 -0.021 0.000 1.054 449 T CA 1.084 63.177 62.100 -0.012 0.000 1.135 449 T CB -0.425 68.437 68.868 -0.009 0.000 0.869 449 T HN 0.428 nan 8.240 nan 0.000 0.466 450 A N 0.588 123.398 122.820 -0.017 0.000 2.121 450 A HA 0.179 4.498 4.320 -0.003 0.000 0.218 450 A C 1.993 179.561 177.584 -0.027 0.000 1.154 450 A CA 0.821 52.846 52.037 -0.021 0.000 0.679 450 A CB -0.494 18.498 19.000 -0.014 0.000 0.795 450 A HN 0.513 nan 8.150 nan 0.000 0.458 451 L N -0.034 121.175 121.223 -0.024 0.000 2.616 451 L HA 0.206 4.545 4.340 -0.003 0.000 0.229 451 L C -0.151 176.688 176.870 -0.051 0.000 1.110 451 L CA -0.417 54.410 54.840 -0.022 0.000 0.884 451 L CB 0.107 42.169 42.059 0.004 0.000 1.115 451 L HN 0.176 nan 8.230 nan 0.000 0.481 452 I N 1.985 122.509 120.570 -0.076 0.000 2.517 452 I HA 0.111 4.279 4.170 -0.003 0.000 0.285 452 I C -1.450 174.495 176.117 -0.286 0.000 1.106 452 I CA -1.397 59.813 61.300 -0.150 0.000 1.402 452 I CB -0.317 37.617 38.000 -0.110 0.000 1.399 452 I HN -0.074 nan 8.210 nan 0.000 0.535 453 P HA 0.000 nan 4.420 nan 0.000 0.216 453 P CA 0.000 62.622 63.100 -0.797 0.000 0.800 453 P CB 0.000 30.496 31.700 -2.006 0.000 0.726