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 2x2y_1_A DATA FIRST_RESID 4 DATA SEQUENCE ETIAIVDADA TAETRSLLSY LDGVRGEGIL FGHQHTTSFG LTTGPTDGTT DATA SEQUENCE SDVKNVTGDF PAVFGWDTLI IEGNERPGLA ENTRDENIAL FADYIRKADA DATA SEQUENCE IGGVNTVSAH VENFVTGGSF YDTSGDTLRA VLPGGSHHAE LVAYLDDIAE DATA SEQUENCE LADASRRDDG TLIPIVFRPW HENAGSWFWW GAAYGSPGEY QELYRFTVEY DATA SEQUENCE LRDVKGVSNF LYAWGPGGGF GGNRDVYLRT YPGDAFVDVL GLDTYDSTGS DATA SEQUENCE DAFLAGLVAD LRMIAEIADE KGKVSAFTEF GVSGGVGTNG SSPAQWFTKV DATA SEQUENCE LAAIKADPVA SRNAYMETWR NADAGQHFVP VPGDALLEDF QAYAADPFTL DATA SEQUENCE FASEVTGAFD RTVAAAPAQP VVHIASPADG ARVXXXPTTV RVRVGGTDVQ DATA SEQUENCE SVTVEVAQXX TVVDTLDLAY DGALWWTAPW SPXXXXXXXS TYTVTATATT DATA SEQUENCE AAGTLDVTNE VA 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.617 176.600 0.028 0.000 1.382 4 E CA 0.000 56.415 56.400 0.025 0.000 0.976 4 E CB 0.000 29.717 29.700 0.029 0.000 0.812 5 T N 4.486 119.056 114.554 0.027 0.000 2.812 5 T HA 0.590 4.907 4.350 -0.055 0.000 0.282 5 T C -0.187 174.533 174.700 0.033 0.000 0.990 5 T CA -0.542 61.575 62.100 0.028 0.000 0.960 5 T CB 0.312 69.194 68.868 0.023 0.000 0.948 5 T HN 0.421 nan 8.240 nan 0.000 0.438 6 I N -0.169 120.425 120.570 0.040 0.000 2.740 6 I HA 0.929 5.066 4.170 -0.055 0.000 0.303 6 I C -0.105 176.043 176.117 0.050 0.000 1.044 6 I CA -1.641 59.687 61.300 0.047 0.000 1.064 6 I CB 1.757 39.792 38.000 0.058 0.000 1.249 6 I HN 0.597 nan 8.210 nan 0.000 0.433 7 A N 6.501 129.354 122.820 0.054 0.000 2.395 7 A HA 0.613 4.900 4.320 -0.055 0.000 0.286 7 A C -0.472 177.159 177.584 0.078 0.000 1.193 7 A CA -0.157 51.914 52.037 0.057 0.000 0.852 7 A CB -0.138 18.895 19.000 0.056 0.000 1.118 7 A HN 0.780 nan 8.150 nan 0.000 0.524 8 I N 3.549 124.165 120.570 0.076 0.000 2.582 8 I HA 0.303 4.439 4.170 -0.055 0.000 0.292 8 I C 0.695 176.871 176.117 0.099 0.000 1.066 8 I CA -0.786 60.578 61.300 0.106 0.000 1.053 8 I CB 2.147 40.213 38.000 0.109 0.000 1.241 8 I HN 0.382 nan 8.210 nan 0.000 0.421 9 V N 4.228 124.230 119.914 0.148 0.000 2.255 9 V HA -0.186 3.900 4.120 -0.055 0.000 0.247 9 V C 0.687 176.837 176.094 0.094 0.000 1.051 9 V CA 1.800 64.168 62.300 0.114 0.000 1.018 9 V CB -0.542 31.417 31.823 0.226 0.000 0.641 9 V HN 0.783 nan 8.190 nan 0.000 0.445 10 D N -0.409 120.096 120.400 0.175 0.000 2.411 10 D HA 0.395 5.001 4.640 -0.055 0.000 0.225 10 D C 0.853 177.203 176.300 0.084 0.000 1.156 10 D CA 0.416 54.494 54.000 0.129 0.000 0.874 10 D CB 1.300 42.211 40.800 0.185 0.000 1.034 10 D HN 0.194 nan 8.370 nan 0.000 0.502 11 A N 3.762 126.610 122.820 0.045 0.000 2.121 11 A HA -0.078 4.209 4.320 -0.055 0.000 0.218 11 A C 1.012 178.614 177.584 0.030 0.000 1.154 11 A CA 0.772 52.829 52.037 0.033 0.000 0.679 11 A CB 0.151 19.159 19.000 0.014 0.000 0.795 11 A HN 0.499 nan 8.150 nan 0.000 0.458 12 D N 0.038 120.455 120.400 0.028 0.000 2.755 12 D HA 0.429 5.036 4.640 -0.055 0.000 0.257 12 D C 0.268 176.582 176.300 0.023 0.000 1.291 12 D CA 0.236 54.247 54.000 0.018 0.000 0.836 12 D CB 0.328 41.130 40.800 0.003 0.000 1.059 12 D HN 0.388 nan 8.370 nan 0.000 0.486 13 A N 0.761 123.607 122.820 0.044 0.000 2.366 13 A HA 0.410 4.696 4.320 -0.055 0.000 0.249 13 A C 1.093 178.700 177.584 0.038 0.000 1.084 13 A CA -0.361 51.707 52.037 0.051 0.000 0.794 13 A CB 0.220 19.272 19.000 0.087 0.000 1.034 13 A HN 0.218 nan 8.150 nan 0.000 0.491 14 T N -1.018 113.554 114.554 0.029 0.000 2.855 14 T HA 0.347 4.664 4.350 -0.055 0.000 0.314 14 T C 1.363 176.089 174.700 0.043 0.000 1.077 14 T CA 0.129 62.243 62.100 0.022 0.000 1.095 14 T CB 0.622 69.493 68.868 0.007 0.000 0.987 14 T HN 1.391 nan 8.240 nan 0.000 0.546 15 A N 1.482 124.324 122.820 0.037 0.000 1.908 15 A HA -0.106 4.181 4.320 -0.055 0.000 0.218 15 A C 2.217 179.847 177.584 0.077 0.000 1.181 15 A CA 1.943 54.009 52.037 0.049 0.000 0.627 15 A CB -1.085 17.937 19.000 0.036 0.000 0.818 15 A HN 0.942 nan 8.150 nan 0.000 0.445 16 E N -0.640 119.612 120.200 0.087 0.000 2.204 16 E HA -0.077 4.239 4.350 -0.055 0.000 0.195 16 E C 2.036 178.760 176.600 0.206 0.000 0.990 16 E CA 1.631 58.127 56.400 0.159 0.000 0.821 16 E CB -0.404 29.361 29.700 0.109 0.000 0.750 16 E HN 0.633 nan 8.360 nan 0.000 0.477 17 T N 0.238 114.876 114.554 0.140 0.000 2.851 17 T HA -0.014 4.303 4.350 -0.055 0.000 0.262 17 T C 1.692 176.472 174.700 0.134 0.000 1.043 17 T CA 0.814 63.002 62.100 0.146 0.000 1.140 17 T CB -0.055 68.881 68.868 0.114 0.000 0.872 17 T HN 0.110 nan 8.240 nan 0.000 0.446 18 R N 1.151 121.716 120.500 0.109 0.000 2.092 18 R HA 0.006 4.313 4.340 -0.055 0.000 0.231 18 R C 2.871 179.228 176.300 0.094 0.000 1.119 18 R CA 1.285 57.443 56.100 0.097 0.000 0.970 18 R CB -0.572 29.774 30.300 0.077 0.000 0.864 18 R HN 0.255 nan 8.270 nan 0.000 0.440 19 S N 1.353 117.110 115.700 0.094 0.000 2.359 19 S HA -0.151 4.286 4.470 -0.055 0.000 0.224 19 S C 1.936 176.573 174.600 0.062 0.000 1.035 19 S CA 1.197 59.444 58.200 0.078 0.000 1.018 19 S CB -0.180 63.068 63.200 0.081 0.000 0.876 19 S HN 0.247 nan 8.310 nan 0.000 0.448 20 L N 1.168 122.430 121.223 0.064 0.000 2.042 20 L HA 0.036 4.342 4.340 -0.055 0.000 0.210 20 L C 2.154 179.100 176.870 0.125 0.000 1.076 20 L CA 1.704 56.558 54.840 0.022 0.000 0.749 20 L CB -0.812 41.304 42.059 0.095 0.000 0.893 20 L HN 0.435 nan 8.230 nan 0.000 0.432 21 L N -1.219 120.083 121.223 0.132 0.000 2.093 21 L HA -0.138 4.169 4.340 -0.055 0.000 0.208 21 L C 2.689 179.628 176.870 0.116 0.000 1.085 21 L CA 1.953 56.875 54.840 0.138 0.000 0.755 21 L CB -0.806 41.334 42.059 0.136 0.000 0.904 21 L HN 0.475 nan 8.230 nan 0.000 0.435 22 S N -1.620 114.142 115.700 0.104 0.000 2.356 22 S HA -0.295 4.142 4.470 -0.055 0.000 0.223 22 S C 2.155 176.804 174.600 0.082 0.000 1.032 22 S CA 1.494 59.743 58.200 0.083 0.000 1.005 22 S CB -0.650 62.596 63.200 0.077 0.000 0.867 22 S HN 0.626 nan 8.310 nan 0.000 0.449 23 Y N 1.821 122.106 120.300 -0.026 0.000 2.181 23 Y HA -0.038 4.479 4.550 -0.055 0.000 0.288 23 Y C 1.942 177.831 175.900 -0.018 0.000 1.146 23 Y CA 1.791 59.861 58.100 -0.050 0.000 1.164 23 Y CB -0.422 37.959 38.460 -0.133 0.000 0.982 23 Y HN 0.256 nan 8.280 nan 0.000 0.515 24 L N -0.052 121.203 121.223 0.053 0.000 2.083 24 L HA -0.205 4.101 4.340 -0.055 0.000 0.209 24 L C 2.147 178.989 176.870 -0.045 0.000 1.083 24 L CA 1.705 56.556 54.840 0.018 0.000 0.752 24 L CB -0.586 41.587 42.059 0.191 0.000 0.899 24 L HN 0.247 nan 8.230 nan 0.000 0.433 25 D N 0.011 120.402 120.400 -0.014 0.000 2.123 25 D HA -0.116 4.491 4.640 -0.055 0.000 0.200 25 D C 2.132 178.393 176.300 -0.066 0.000 0.976 25 D CA 1.345 55.336 54.000 -0.016 0.000 0.831 25 D CB -0.058 40.753 40.800 0.019 0.000 0.974 25 D HN 0.185 nan 8.370 nan 0.000 0.469 26 G N -0.060 108.678 108.800 -0.104 0.000 2.443 26 G HA2 -0.176 3.751 3.960 -0.055 0.000 0.219 26 G HA3 -0.176 3.751 3.960 -0.055 0.000 0.219 26 G C 1.650 176.440 174.900 -0.184 0.000 1.131 26 G CA 0.657 45.684 45.100 -0.120 0.000 0.775 26 G HN 0.317 nan 8.290 nan 0.000 0.547 27 V N 0.647 120.373 119.914 -0.313 0.000 3.041 27 V HA 0.156 4.243 4.120 -0.055 0.000 0.260 27 V C 1.330 177.318 176.094 -0.176 0.000 1.105 27 V CA 0.099 62.204 62.300 -0.326 0.000 1.125 27 V CB -0.415 31.082 31.823 -0.543 0.000 0.730 27 V HN 0.258 nan 8.190 nan 0.000 0.479 28 R N 0.222 120.654 120.500 -0.112 0.000 2.421 28 R HA 0.322 4.629 4.340 -0.055 0.000 0.305 28 R C 1.343 177.648 176.300 0.007 0.000 1.039 28 R CA 0.790 56.865 56.100 -0.042 0.000 1.003 28 R CB 0.053 30.339 30.300 -0.023 0.000 0.959 28 R HN 0.464 nan 8.270 nan 0.000 0.427 29 G N 2.419 111.270 108.800 0.084 0.000 2.241 29 G HA2 -0.267 3.660 3.960 -0.055 0.000 0.244 29 G HA3 -0.267 3.660 3.960 -0.055 0.000 0.244 29 G C 0.798 175.839 174.900 0.235 0.000 0.998 29 G CA 0.081 45.283 45.100 0.169 0.000 0.621 29 G HN 0.566 nan 8.290 nan 0.000 0.519 30 E N 0.352 120.603 120.200 0.085 0.000 2.201 30 E HA 0.381 4.698 4.350 -0.055 0.000 0.193 30 E C 1.315 177.841 176.600 -0.123 0.000 0.957 30 E CA 1.290 57.718 56.400 0.047 0.000 0.858 30 E CB 0.707 30.389 29.700 -0.030 0.000 0.816 30 E HN 1.224 nan 8.360 nan 0.000 0.475 31 G N 0.551 109.080 108.800 -0.452 0.000 2.616 31 G HA2 0.469 4.396 3.960 -0.055 0.000 0.294 31 G HA3 0.469 4.396 3.960 -0.055 0.000 0.294 31 G C -1.723 172.733 174.900 -0.740 0.000 1.489 31 G CA -0.720 43.838 45.100 -0.903 0.000 0.836 31 G HN 0.035 nan 8.290 nan 0.000 0.527 32 I N 1.740 121.823 120.570 -0.811 0.000 2.378 32 I HA 0.461 4.598 4.170 -0.055 0.000 0.291 32 I C -0.118 175.941 176.117 -0.097 0.000 0.992 32 I CA -1.189 59.937 61.300 -0.291 0.000 1.154 32 I CB 1.061 39.002 38.000 -0.099 0.000 1.315 32 I HN 0.318 nan 8.210 nan 0.000 0.448 33 L N 7.457 128.705 121.223 0.041 0.000 2.360 33 L HA 0.181 4.488 4.340 -0.055 0.000 0.276 33 L C -0.265 176.677 176.870 0.119 0.000 1.121 33 L CA -0.122 54.767 54.840 0.082 0.000 0.845 33 L CB 0.190 42.335 42.059 0.144 0.000 1.143 33 L HN 0.529 nan 8.230 nan 0.000 0.452 34 F N 2.584 122.430 119.950 -0.174 0.000 2.412 34 F HA 0.579 5.073 4.527 -0.054 0.000 0.348 34 F C 0.597 176.360 175.800 -0.063 0.000 1.102 34 F CA -0.388 57.533 58.000 -0.132 0.000 1.196 34 F CB 1.207 39.897 39.000 -0.517 0.000 1.144 34 F HN 0.389 nan 8.300 nan 0.000 0.541 35 G N 4.349 112.645 108.800 -0.840 0.000 2.481 35 G HA2 0.405 4.331 3.960 -0.055 0.000 0.315 35 G HA3 0.405 4.331 3.960 -0.055 0.000 0.315 35 G C -2.163 172.214 174.900 -0.871 0.000 1.231 35 G CA -0.589 44.111 45.100 -0.666 0.000 0.968 35 G HN 0.892 nan 8.290 nan 0.000 0.482 36 H N 0.748 119.411 119.070 -0.679 0.000 2.856 36 H HA 0.360 4.883 4.556 -0.054 0.000 0.355 36 H C -1.005 174.021 175.328 -0.503 0.000 1.079 36 H CA -0.677 55.068 56.048 -0.504 0.000 1.240 36 H CB 2.462 32.033 29.762 -0.319 0.000 1.701 36 H HN 0.469 nan 8.280 nan 0.000 0.527 37 Q N 3.499 122.838 119.800 -0.768 0.000 2.313 37 Q HA 0.069 4.376 4.340 -0.055 0.000 0.266 37 Q C -0.164 175.268 176.000 -0.947 0.000 0.989 37 Q CA 0.401 55.618 55.803 -0.977 0.000 0.890 37 Q CB -0.015 27.875 28.738 -1.413 0.000 1.200 37 Q HN 0.761 nan 8.270 nan 0.000 0.396 38 H N 2.245 120.810 119.070 -0.842 0.000 2.791 38 H HA -0.191 4.331 4.556 -0.056 0.000 0.302 38 H C 0.700 175.815 175.328 -0.356 0.000 1.198 38 H CA 1.108 56.886 56.048 -0.450 0.000 1.145 38 H CB -1.454 28.202 29.762 -0.176 0.000 1.385 38 H HN 0.795 nan 8.280 nan 0.000 0.409 39 T N -0.550 113.713 114.554 -0.486 0.000 2.833 39 T HA -0.106 4.211 4.350 -0.055 0.000 0.269 39 T C 1.969 176.729 174.700 0.099 0.000 1.054 39 T CA 2.050 64.014 62.100 -0.227 0.000 1.135 39 T CB 0.003 68.699 68.868 -0.288 0.000 0.869 39 T HN 0.711 nan 8.240 nan 0.000 0.466 40 T N -1.562 113.126 114.554 0.225 0.000 3.054 40 T HA 0.247 4.564 4.350 -0.055 0.000 0.255 40 T C 1.722 176.647 174.700 0.374 0.000 1.035 40 T CA 0.585 62.891 62.100 0.343 0.000 0.941 40 T CB 0.137 69.245 68.868 0.401 0.000 1.026 40 T HN 0.373 nan 8.240 nan 0.000 0.533 41 S N -0.295 115.679 115.700 0.456 0.000 2.524 41 S HA 0.443 4.880 4.470 -0.055 0.000 0.222 41 S C -0.157 174.424 174.600 -0.032 0.000 1.040 41 S CA -0.665 57.766 58.200 0.384 0.000 0.915 41 S CB -0.179 63.385 63.200 0.605 0.000 0.831 41 S HN 0.366 nan 8.310 nan 0.000 0.492 42 F N 1.278 121.289 119.950 0.101 0.000 2.539 42 F HA 0.755 5.248 4.527 -0.057 0.000 0.318 42 F C 0.458 176.287 175.800 0.048 0.000 1.135 42 F CA -0.395 57.618 58.000 0.020 0.000 0.915 42 F CB 2.265 41.221 39.000 -0.074 0.000 1.176 42 F HN 0.279 nan 8.300 nan 0.000 0.440 43 G N 2.658 111.565 108.800 0.179 0.000 2.698 43 G HA2 0.492 4.419 3.960 -0.055 0.000 0.293 43 G HA3 0.492 4.419 3.960 -0.055 0.000 0.293 43 G C -0.525 174.408 174.900 0.055 0.000 1.437 43 G CA -0.773 44.400 45.100 0.122 0.000 0.852 43 G HN 0.576 nan 8.290 nan 0.000 0.499 44 L N 0.212 121.432 121.223 -0.005 0.000 2.590 44 L HA 0.182 4.489 4.340 -0.055 0.000 0.227 44 L C 2.138 178.980 176.870 -0.047 0.000 1.099 44 L CA 1.152 55.956 54.840 -0.060 0.000 0.872 44 L CB 0.427 42.372 42.059 -0.189 0.000 1.088 44 L HN 0.717 nan 8.230 nan 0.000 0.479 45 T N -5.741 108.797 114.554 -0.027 0.000 3.043 45 T HA 0.014 4.331 4.350 -0.055 0.000 0.272 45 T C 1.469 176.168 174.700 -0.001 0.000 0.990 45 T CA 0.533 62.621 62.100 -0.020 0.000 0.897 45 T CB 0.040 68.892 68.868 -0.026 0.000 1.111 45 T HN 0.201 nan 8.240 nan 0.000 0.529 46 T N -1.196 113.366 114.554 0.013 0.000 3.035 46 T HA 0.499 4.816 4.350 -0.055 0.000 0.259 46 T C 1.574 176.288 174.700 0.023 0.000 1.078 46 T CA 0.501 62.618 62.100 0.028 0.000 1.132 46 T CB -0.605 68.295 68.868 0.053 0.000 0.900 46 T HN 1.187 nan 8.240 nan 0.000 0.480 47 G N 2.581 111.389 108.800 0.013 0.000 2.693 47 G HA2 -0.075 3.852 3.960 -0.055 0.000 0.226 47 G HA3 -0.075 3.852 3.960 -0.055 0.000 0.226 47 G C -2.712 172.193 174.900 0.008 0.000 1.354 47 G CA -0.604 44.501 45.100 0.009 0.000 0.873 47 G HN 0.537 nan 8.290 nan 0.000 0.562 48 P HA 0.312 nan 4.420 nan 0.000 0.264 48 P C 0.595 177.904 177.300 0.015 0.000 1.193 48 P CA 0.870 63.969 63.100 -0.002 0.000 0.763 48 P CB 0.309 32.009 31.700 0.000 0.000 0.810 49 T N -0.799 113.764 114.554 0.015 0.000 2.909 49 T HA 0.413 4.730 4.350 -0.055 0.000 0.289 49 T C 0.340 175.098 174.700 0.097 0.000 1.005 49 T CA -0.506 61.629 62.100 0.058 0.000 1.084 49 T CB 0.974 69.885 68.868 0.072 0.000 0.975 49 T HN 0.464 nan 8.240 nan 0.000 0.509 50 D N -1.193 119.244 120.400 0.061 0.000 2.563 50 D HA 0.243 4.850 4.640 -0.055 0.000 0.256 50 D C 1.285 177.375 176.300 -0.350 0.000 1.400 50 D CA 0.031 54.041 54.000 0.016 0.000 0.800 50 D CB -0.504 40.303 40.800 0.011 0.000 1.145 50 D HN 1.115 nan 8.370 nan 0.000 0.501 51 G N 0.367 108.834 108.800 -0.555 0.000 2.157 51 G HA2 -0.314 3.612 3.960 -0.055 0.000 0.248 51 G HA3 -0.314 3.612 3.960 -0.055 0.000 0.248 51 G C 0.983 175.726 174.900 -0.261 0.000 0.979 51 G CA 0.966 45.530 45.100 -0.893 0.000 0.650 51 G HN 0.848 nan 8.290 nan 0.000 0.529 52 T N -2.688 111.824 114.554 -0.070 0.000 2.975 52 T HA 0.469 4.786 4.350 -0.055 0.000 0.261 52 T C 0.852 175.728 174.700 0.294 0.000 0.984 52 T CA 1.420 63.554 62.100 0.057 0.000 0.911 52 T CB 0.693 69.574 68.868 0.021 0.000 1.127 52 T HN 1.374 nan 8.240 nan 0.000 0.514 53 T N -0.241 114.474 114.554 0.269 0.000 2.908 53 T HA 0.735 5.052 4.350 -0.055 0.000 0.290 53 T C -0.744 174.126 174.700 0.284 0.000 1.034 53 T CA -0.732 61.538 62.100 0.283 0.000 1.010 53 T CB 2.013 70.965 68.868 0.140 0.000 1.068 53 T HN 0.168 nan 8.240 nan 0.000 0.481 54 S N 0.272 116.069 115.700 0.162 0.000 2.536 54 S HA 0.363 4.800 4.470 -0.055 0.000 0.271 54 S C 0.145 174.758 174.600 0.022 0.000 1.134 54 S CA -0.637 57.639 58.200 0.126 0.000 0.897 54 S CB 1.646 64.949 63.200 0.172 0.000 1.094 54 S HN 0.710 nan 8.310 nan 0.000 0.473 55 D N 2.535 122.976 120.400 0.069 0.000 2.158 55 D HA -0.113 4.494 4.640 -0.055 0.000 0.197 55 D C 2.036 178.333 176.300 -0.004 0.000 0.995 55 D CA 1.330 55.342 54.000 0.020 0.000 0.846 55 D CB -0.168 40.647 40.800 0.025 0.000 0.941 55 D HN 0.351 nan 8.370 nan 0.000 0.456 56 V N 0.803 120.740 119.914 0.037 0.000 2.295 56 V HA -0.269 3.818 4.120 -0.055 0.000 0.246 56 V C 2.387 178.499 176.094 0.030 0.000 1.049 56 V CA 1.728 64.104 62.300 0.127 0.000 1.024 56 V CB -0.453 31.557 31.823 0.311 0.000 0.648 56 V HN 0.114 nan 8.190 nan 0.000 0.447 57 K N 1.179 121.473 120.400 -0.176 0.000 2.063 57 K HA -0.188 4.098 4.320 -0.055 0.000 0.208 57 K C 1.794 178.269 176.600 -0.210 0.000 1.048 57 K CA 1.962 58.016 56.287 -0.389 0.000 0.928 57 K CB -0.533 31.360 32.500 -1.011 0.000 0.713 57 K HN 0.441 nan 8.250 nan 0.000 0.442 58 N N -0.102 118.513 118.700 -0.141 0.000 2.244 58 N HA -0.110 4.597 4.740 -0.055 0.000 0.183 58 N C 1.531 177.011 175.510 -0.051 0.000 1.016 58 N CA 1.577 54.578 53.050 -0.080 0.000 0.866 58 N CB -0.021 38.435 38.487 -0.051 0.000 0.980 58 N HN 0.351 nan 8.380 nan 0.000 0.430 59 V N -2.615 117.283 119.914 -0.027 0.000 3.565 59 V HA 0.225 4.312 4.120 -0.055 0.000 0.260 59 V C 1.701 177.788 176.094 -0.011 0.000 1.231 59 V CA 1.312 63.614 62.300 0.003 0.000 1.100 59 V CB 0.036 31.886 31.823 0.044 0.000 0.807 59 V HN 0.317 nan 8.190 nan 0.000 0.454 60 T N -4.161 110.361 114.554 -0.054 0.000 2.959 60 T HA 0.444 4.760 4.350 -0.055 0.000 0.254 60 T C 1.729 176.310 174.700 -0.197 0.000 1.003 60 T CA 1.136 63.131 62.100 -0.174 0.000 0.950 60 T CB 0.603 69.270 68.868 -0.336 0.000 1.090 60 T HN 1.606 nan 8.240 nan 0.000 0.503 61 G N 0.843 109.556 108.800 -0.145 0.000 2.176 61 G HA2 -0.145 3.782 3.960 -0.055 0.000 0.253 61 G HA3 -0.145 3.782 3.960 -0.055 0.000 0.253 61 G C -0.358 174.479 174.900 -0.106 0.000 0.979 61 G CA 0.201 45.228 45.100 -0.122 0.000 0.641 61 G HN 0.798 nan 8.290 nan 0.000 0.530 62 D N -1.061 119.269 120.400 -0.116 0.000 2.753 62 D HA 0.590 5.197 4.640 -0.055 0.000 0.224 62 D C -0.038 176.346 176.300 0.140 0.000 1.213 62 D CA -0.683 53.341 54.000 0.039 0.000 0.833 62 D CB 0.944 41.781 40.800 0.062 0.000 1.607 62 D HN -0.079 nan 8.370 nan 0.000 0.463 63 F N 2.102 122.223 119.950 0.285 0.000 2.490 63 F HA 0.274 4.768 4.527 -0.054 0.000 0.336 63 F C -1.198 174.834 175.800 0.386 0.000 1.178 63 F CA -0.780 57.395 58.000 0.291 0.000 1.301 63 F CB 0.312 39.512 39.000 0.333 0.000 1.175 63 F HN 0.094 nan 8.300 nan 0.000 0.593 64 P HA 0.020 nan 4.420 nan 0.000 0.270 64 P C -0.338 177.060 177.300 0.163 0.000 1.223 64 P CA 0.024 63.231 63.100 0.177 0.000 0.785 64 P CB 0.769 32.408 31.700 -0.101 0.000 0.923 65 A N 2.233 125.090 122.820 0.062 0.000 2.014 65 A HA 0.058 4.345 4.320 -0.055 0.000 0.218 65 A C 0.921 178.600 177.584 0.160 0.000 1.163 65 A CA 1.173 53.302 52.037 0.154 0.000 0.652 65 A CB -0.379 18.682 19.000 0.102 0.000 0.808 65 A HN 0.419 nan 8.150 nan 0.000 0.449 66 V N 0.521 120.445 119.914 0.018 0.000 2.409 66 V HA 0.423 4.510 4.120 -0.055 0.000 0.291 66 V C -1.317 174.730 176.094 -0.078 0.000 1.020 66 V CA -0.565 61.719 62.300 -0.027 0.000 0.848 66 V CB 1.086 32.771 31.823 -0.230 0.000 0.990 66 V HN 0.298 nan 8.190 nan 0.000 0.430 67 F N 3.202 123.024 119.950 -0.214 0.000 2.391 67 F HA 0.674 5.168 4.527 -0.055 0.000 0.359 67 F C 0.986 176.382 175.800 -0.674 0.000 1.122 67 F CA -0.632 57.119 58.000 -0.415 0.000 1.120 67 F CB 1.462 40.327 39.000 -0.225 0.000 1.142 67 F HN 0.528 nan 8.300 nan 0.000 0.483 68 G N 2.548 110.909 108.800 -0.731 0.000 2.389 68 G HA2 0.523 4.450 3.960 -0.055 0.000 0.317 68 G HA3 0.523 4.450 3.960 -0.055 0.000 0.317 68 G C -1.619 172.649 174.900 -1.054 0.000 1.137 68 G CA -0.428 44.265 45.100 -0.678 0.000 0.870 68 G HN 0.664 nan 8.290 nan 0.000 0.496 69 W N -0.736 120.432 121.300 -0.219 0.000 3.039 69 W HA 0.594 5.223 4.660 -0.051 0.000 0.354 69 W C -0.678 175.721 176.519 -0.200 0.000 1.206 69 W CA -0.776 56.358 57.345 -0.352 0.000 1.134 69 W CB 2.064 31.530 29.460 0.010 0.000 1.493 69 W HN 0.381 nan 8.180 nan 0.000 0.591 70 D N -0.524 119.918 120.400 0.070 0.000 2.756 70 D HA 0.118 4.725 4.640 -0.055 0.000 0.226 70 D C 0.831 177.277 176.300 0.243 0.000 1.186 70 D CA -0.212 53.897 54.000 0.182 0.000 0.845 70 D CB 2.559 43.449 40.800 0.149 0.000 1.610 70 D HN 0.497 nan 8.370 nan 0.000 0.465 71 T N 0.244 115.006 114.554 0.346 0.000 3.098 71 T HA -0.054 4.263 4.350 -0.055 0.000 0.266 71 T C 2.132 176.990 174.700 0.262 0.000 1.145 71 T CA 0.470 62.786 62.100 0.360 0.000 1.092 71 T CB -0.170 68.911 68.868 0.356 0.000 0.908 71 T HN 0.390 nan 8.240 nan 0.000 0.526 72 L N 0.004 121.363 121.223 0.228 0.000 2.187 72 L HA -0.033 4.274 4.340 -0.055 0.000 0.213 72 L C 2.541 179.481 176.870 0.117 0.000 1.100 72 L CA 1.150 56.106 54.840 0.195 0.000 0.765 72 L CB -0.593 41.565 42.059 0.165 0.000 0.904 72 L HN 0.328 nan 8.230 nan 0.000 0.437 73 I N -0.176 120.409 120.570 0.025 0.000 2.163 73 I HA -0.353 3.784 4.170 -0.055 0.000 0.243 73 I C 2.369 178.485 176.117 -0.002 0.000 1.085 73 I CA 1.632 62.869 61.300 -0.105 0.000 1.347 73 I CB -0.312 37.340 38.000 -0.580 0.000 1.044 73 I HN 0.173 nan 8.210 nan 0.000 0.408 74 I N 0.619 121.247 120.570 0.098 0.000 2.208 74 I HA -0.284 3.853 4.170 -0.055 0.000 0.245 74 I C 2.235 178.385 176.117 0.054 0.000 1.097 74 I CA 1.578 62.928 61.300 0.083 0.000 1.363 74 I CB -0.564 37.457 38.000 0.034 0.000 1.051 74 I HN 0.266 nan 8.210 nan 0.000 0.413 75 E N 0.735 120.993 120.200 0.096 0.000 2.401 75 E HA -0.086 4.231 4.350 -0.055 0.000 0.199 75 E C 1.554 178.215 176.600 0.102 0.000 1.023 75 E CA 0.641 57.121 56.400 0.133 0.000 0.859 75 E CB -0.146 29.685 29.700 0.219 0.000 0.780 75 E HN 0.674 nan 8.360 nan 0.000 0.523 76 G N 1.398 110.240 108.800 0.070 0.000 2.148 76 G HA2 -0.280 3.647 3.960 -0.055 0.000 0.254 76 G HA3 -0.280 3.647 3.960 -0.055 0.000 0.254 76 G C 0.683 175.622 174.900 0.065 0.000 0.981 76 G CA 0.461 45.590 45.100 0.048 0.000 0.670 76 G HN 0.215 nan 8.290 nan 0.000 0.528 77 N N 0.381 119.138 118.700 0.096 0.000 2.373 77 N HA 0.123 4.829 4.740 -0.055 0.000 0.181 77 N C 0.520 176.100 175.510 0.116 0.000 1.082 77 N CA 0.707 53.827 53.050 0.116 0.000 0.885 77 N CB 0.477 39.060 38.487 0.161 0.000 0.977 77 N HN 0.712 nan 8.380 nan 0.000 0.462 78 E N 0.422 120.682 120.200 0.100 0.000 2.292 78 E HA 0.305 4.621 4.350 -0.055 0.000 0.272 78 E C -0.602 176.044 176.600 0.077 0.000 0.881 78 E CA -0.684 55.797 56.400 0.135 0.000 0.754 78 E CB 2.449 32.191 29.700 0.070 0.000 1.201 78 E HN -0.047 nan 8.360 nan 0.000 0.425 79 R N 2.702 123.223 120.500 0.036 0.000 2.638 79 R HA -0.012 4.295 4.340 -0.055 0.000 0.268 79 R C -1.498 174.734 176.300 -0.114 0.000 1.006 79 R CA -0.674 55.313 56.100 -0.188 0.000 1.088 79 R CB 0.255 30.220 30.300 -0.558 0.000 0.950 79 R HN 0.333 nan 8.270 nan 0.000 0.419 80 P HA -0.033 nan 4.420 nan 0.000 0.237 80 P C 0.440 177.578 177.300 -0.269 0.000 1.178 80 P CA 0.422 63.258 63.100 -0.441 0.000 0.766 80 P CB 0.269 31.367 31.700 -1.003 0.000 0.876 81 G N 0.702 109.379 108.800 -0.205 0.000 2.491 81 G HA2 0.390 4.316 3.960 -0.055 0.000 0.242 81 G HA3 0.390 4.316 3.960 -0.055 0.000 0.242 81 G C -0.681 174.182 174.900 -0.061 0.000 1.266 81 G CA -0.182 44.852 45.100 -0.110 0.000 0.844 81 G HN 0.121 nan 8.290 nan 0.000 0.571 82 L N 0.965 122.167 121.223 -0.035 0.000 2.401 82 L HA 0.438 4.745 4.340 -0.055 0.000 0.266 82 L C 1.331 178.206 176.870 0.009 0.000 0.991 82 L CA -1.043 53.789 54.840 -0.014 0.000 0.818 82 L CB 2.194 44.241 42.059 -0.021 0.000 1.321 82 L HN 0.639 nan 8.230 nan 0.000 0.413 83 A N 1.415 124.248 122.820 0.022 0.000 1.972 83 A HA -0.156 4.131 4.320 -0.055 0.000 0.219 83 A C 1.897 179.498 177.584 0.028 0.000 1.169 83 A CA 1.708 53.765 52.037 0.034 0.000 0.635 83 A CB -0.453 18.572 19.000 0.041 0.000 0.810 83 A HN 0.932 nan 8.150 nan 0.000 0.446 84 E N -0.084 120.127 120.200 0.018 0.000 2.274 84 E HA -0.101 4.216 4.350 -0.055 0.000 0.194 84 E C -0.036 176.571 176.600 0.012 0.000 0.996 84 E CA 0.319 56.728 56.400 0.015 0.000 0.840 84 E CB -0.327 29.379 29.700 0.010 0.000 0.772 84 E HN 0.456 nan 8.360 nan 0.000 0.491 85 N N 2.091 120.796 118.700 0.009 0.000 2.467 85 N HA 0.052 4.759 4.740 -0.055 0.000 0.262 85 N C -0.266 175.251 175.510 0.012 0.000 1.234 85 N CA 0.308 53.361 53.050 0.005 0.000 0.952 85 N CB 1.277 39.761 38.487 -0.005 0.000 1.158 85 N HN 0.239 nan 8.380 nan 0.000 0.463 86 T N -1.726 112.834 114.554 0.009 0.000 2.813 86 T HA 0.200 4.517 4.350 -0.055 0.000 0.297 86 T C 1.271 175.977 174.700 0.010 0.000 1.036 86 T CA -0.327 61.781 62.100 0.012 0.000 1.044 86 T CB 0.784 69.656 68.868 0.008 0.000 0.993 86 T HN 0.351 nan 8.240 nan 0.000 0.535 87 R N 0.709 121.218 120.500 0.015 0.000 2.120 87 R HA -0.083 4.224 4.340 -0.055 0.000 0.234 87 R C 1.692 177.990 176.300 -0.003 0.000 1.123 87 R CA 1.678 57.784 56.100 0.010 0.000 0.975 87 R CB -0.448 29.858 30.300 0.010 0.000 0.866 87 R HN 0.713 nan 8.270 nan 0.000 0.446 88 D N 0.555 120.951 120.400 -0.007 0.000 2.144 88 D HA -0.151 4.456 4.640 -0.055 0.000 0.200 88 D C 1.916 178.204 176.300 -0.019 0.000 0.978 88 D CA 1.305 55.295 54.000 -0.018 0.000 0.833 88 D CB 0.013 40.803 40.800 -0.017 0.000 0.961 88 D HN 0.458 nan 8.370 nan 0.000 0.470 89 E N 0.113 120.305 120.200 -0.014 0.000 2.216 89 E HA -0.095 4.222 4.350 -0.055 0.000 0.192 89 E C 1.352 177.938 176.600 -0.022 0.000 0.988 89 E CA 0.512 56.901 56.400 -0.018 0.000 0.834 89 E CB -0.159 29.532 29.700 -0.015 0.000 0.772 89 E HN 0.127 nan 8.360 nan 0.000 0.479 90 N N 1.553 120.244 118.700 -0.015 0.000 2.120 90 N HA -0.083 4.624 4.740 -0.055 0.000 0.188 90 N C 1.997 177.518 175.510 0.017 0.000 1.024 90 N CA 1.007 54.047 53.050 -0.016 0.000 0.852 90 N CB -0.222 38.264 38.487 -0.001 0.000 1.003 90 N HN 0.260 nan 8.380 nan 0.000 0.424 91 I N 1.029 121.613 120.570 0.022 0.000 2.226 91 I HA -0.250 3.887 4.170 -0.055 0.000 0.245 91 I C 2.250 178.359 176.117 -0.013 0.000 1.100 91 I CA 1.055 62.365 61.300 0.017 0.000 1.374 91 I CB -0.258 37.718 38.000 -0.040 0.000 1.057 91 I HN 0.068 nan 8.210 nan 0.000 0.413 92 A N 0.725 123.529 122.820 -0.027 0.000 1.933 92 A HA -0.147 4.140 4.320 -0.055 0.000 0.218 92 A C 2.288 179.856 177.584 -0.027 0.000 1.175 92 A CA 1.379 53.395 52.037 -0.035 0.000 0.628 92 A CB -0.760 18.221 19.000 -0.032 0.000 0.814 92 A HN 0.377 nan 8.150 nan 0.000 0.444 93 L N -2.062 119.138 121.223 -0.039 0.000 2.056 93 L HA -0.125 4.182 4.340 -0.055 0.000 0.207 93 L C 2.476 179.267 176.870 -0.132 0.000 1.078 93 L CA 1.190 55.974 54.840 -0.092 0.000 0.749 93 L CB -0.540 41.418 42.059 -0.170 0.000 0.901 93 L HN 0.422 nan 8.230 nan 0.000 0.433 94 F N 1.145 120.917 119.950 -0.296 0.000 2.095 94 F HA -0.252 4.245 4.527 -0.049 0.000 0.298 94 F C 2.476 178.069 175.800 -0.345 0.000 1.104 94 F CA 1.226 59.002 58.000 -0.373 0.000 1.232 94 F CB -0.730 38.108 39.000 -0.270 0.000 0.987 94 F HN 0.027 nan 8.300 nan 0.000 0.475 95 A N -0.423 122.374 122.820 -0.038 0.000 1.933 95 A HA -0.239 4.048 4.320 -0.055 0.000 0.218 95 A C 1.976 179.512 177.584 -0.079 0.000 1.175 95 A CA 1.898 53.854 52.037 -0.134 0.000 0.628 95 A CB -1.192 17.725 19.000 -0.139 0.000 0.814 95 A HN 0.455 nan 8.150 nan 0.000 0.444 96 D N -1.711 118.683 120.400 -0.010 0.000 2.104 96 D HA -0.196 4.410 4.640 -0.055 0.000 0.194 96 D C 1.601 177.949 176.300 0.080 0.000 0.994 96 D CA 1.515 55.541 54.000 0.043 0.000 0.830 96 D CB -0.243 40.623 40.800 0.110 0.000 0.959 96 D HN 0.473 nan 8.370 nan 0.000 0.452 97 Y N 0.317 120.495 120.300 -0.202 0.000 2.242 97 Y HA 0.037 4.554 4.550 -0.055 0.000 0.291 97 Y C 2.285 178.014 175.900 -0.284 0.000 1.137 97 Y CA 0.422 58.363 58.100 -0.265 0.000 1.181 97 Y CB -0.428 37.727 38.460 -0.508 0.000 0.989 97 Y HN 0.112 nan 8.280 nan 0.000 0.527 98 I N -0.558 119.887 120.570 -0.207 0.000 2.252 98 I HA -0.323 3.813 4.170 -0.055 0.000 0.245 98 I C 2.359 178.392 176.117 -0.141 0.000 1.102 98 I CA 1.254 62.461 61.300 -0.155 0.000 1.385 98 I CB -0.312 37.566 38.000 -0.204 0.000 1.064 98 I HN 0.088 nan 8.210 nan 0.000 0.414 99 R N 0.866 121.282 120.500 -0.140 0.000 2.091 99 R HA -0.190 4.117 4.340 -0.055 0.000 0.238 99 R C 2.286 178.482 176.300 -0.173 0.000 1.136 99 R CA 1.506 57.516 56.100 -0.150 0.000 0.959 99 R CB -0.213 30.016 30.300 -0.118 0.000 0.856 99 R HN 0.320 nan 8.270 nan 0.000 0.437 100 K N -0.001 120.299 120.400 -0.167 0.000 2.057 100 K HA -0.050 4.236 4.320 -0.055 0.000 0.206 100 K C 2.161 178.570 176.600 -0.317 0.000 1.050 100 K CA 1.243 57.406 56.287 -0.207 0.000 0.935 100 K CB -0.118 32.260 32.500 -0.205 0.000 0.715 100 K HN 0.152 nan 8.250 nan 0.000 0.439 101 A N 1.730 124.313 122.820 -0.395 0.000 1.883 101 A HA -0.276 4.010 4.320 -0.055 0.000 0.217 101 A C 1.905 179.102 177.584 -0.646 0.000 1.186 101 A CA 2.206 53.691 52.037 -0.919 0.000 0.624 101 A CB -0.777 17.639 19.000 -0.973 0.000 0.822 101 A HN 0.409 nan 8.150 nan 0.000 0.444 102 D N -0.414 119.756 120.400 -0.383 0.000 2.123 102 D HA -0.073 4.533 4.640 -0.055 0.000 0.196 102 D C 1.969 178.126 176.300 -0.238 0.000 0.992 102 D CA 1.757 55.580 54.000 -0.296 0.000 0.833 102 D CB -0.174 40.444 40.800 -0.302 0.000 0.954 102 D HN 0.362 nan 8.370 nan 0.000 0.455 103 A N -0.057 122.628 122.820 -0.225 0.000 1.930 103 A HA -0.084 4.203 4.320 -0.055 0.000 0.217 103 A C 2.348 179.842 177.584 -0.149 0.000 1.175 103 A CA 1.012 52.950 52.037 -0.165 0.000 0.627 103 A CB -0.748 18.163 19.000 -0.149 0.000 0.815 103 A HN 0.403 nan 8.150 nan 0.000 0.443 104 I N -1.337 119.099 120.570 -0.223 0.000 2.361 104 I HA -0.079 4.058 4.170 -0.055 0.000 0.251 104 I C 1.801 177.883 176.117 -0.059 0.000 1.133 104 I CA 1.310 62.493 61.300 -0.195 0.000 1.413 104 I CB -0.061 37.695 38.000 -0.407 0.000 1.073 104 I HN 0.526 nan 8.210 nan 0.000 0.424 105 G N 0.114 108.872 108.800 -0.069 0.000 2.183 105 G HA2 -0.127 3.800 3.960 -0.055 0.000 0.168 105 G HA3 -0.127 3.800 3.960 -0.055 0.000 0.168 105 G C 0.420 175.382 174.900 0.103 0.000 1.008 105 G CA -0.356 44.769 45.100 0.041 0.000 0.677 105 G HN 0.580 nan 8.290 nan 0.000 0.498 106 G N -0.795 108.024 108.800 0.031 0.000 2.528 106 G HA2 0.640 4.566 3.960 -0.055 0.000 0.289 106 G HA3 0.640 4.566 3.960 -0.055 0.000 0.289 106 G C -0.088 174.897 174.900 0.142 0.000 1.192 106 G CA -0.087 45.106 45.100 0.154 0.000 0.921 106 G HN 0.873 nan 8.290 nan 0.000 0.512 107 V N 1.564 121.598 119.914 0.201 0.000 2.427 107 V HA 0.260 4.347 4.120 -0.055 0.000 0.286 107 V C -0.132 176.044 176.094 0.138 0.000 1.034 107 V CA -1.039 61.373 62.300 0.187 0.000 0.893 107 V CB 1.398 33.270 31.823 0.083 0.000 0.982 107 V HN 0.631 nan 8.190 nan 0.000 0.452 108 N N 2.211 120.995 118.700 0.141 0.000 2.438 108 N HA 0.394 5.100 4.740 -0.055 0.000 0.282 108 N C -0.444 175.136 175.510 0.117 0.000 1.037 108 N CA -0.076 53.090 53.050 0.193 0.000 0.942 108 N CB 2.059 40.694 38.487 0.246 0.000 1.136 108 N HN 0.680 nan 8.380 nan 0.000 0.481 109 T N 0.764 115.378 114.554 0.100 0.000 2.893 109 T HA 0.539 4.856 4.350 -0.055 0.000 0.291 109 T C -1.172 173.618 174.700 0.149 0.000 1.028 109 T CA -0.493 61.636 62.100 0.048 0.000 0.995 109 T CB 1.038 69.871 68.868 -0.058 0.000 1.051 109 T HN 0.057 nan 8.240 nan 0.000 0.470 110 V N 4.530 124.522 119.914 0.130 0.000 2.525 110 V HA 0.553 4.640 4.120 -0.055 0.000 0.299 110 V C 0.194 176.349 176.094 0.101 0.000 1.034 110 V CA -0.837 61.600 62.300 0.229 0.000 0.863 110 V CB 1.756 33.753 31.823 0.289 0.000 0.999 110 V HN 1.092 nan 8.190 nan 0.000 0.423 111 S N 3.402 119.141 115.700 0.064 0.000 2.730 111 S HA 0.923 5.360 4.470 -0.055 0.000 0.284 111 S C -0.076 174.509 174.600 -0.026 0.000 1.153 111 S CA -0.285 57.851 58.200 -0.106 0.000 0.995 111 S CB 2.147 65.264 63.200 -0.139 0.000 1.058 111 S HN 1.433 nan 8.310 nan 0.000 0.552 112 A N 0.970 123.654 122.820 -0.226 0.000 2.702 112 A HA 0.514 4.800 4.320 -0.055 0.000 0.305 112 A C -1.150 176.231 177.584 -0.337 0.000 1.213 112 A CA -0.668 51.266 52.037 -0.172 0.000 0.745 112 A CB -0.287 18.549 19.000 -0.272 0.000 1.161 112 A HN 0.851 nan 8.150 nan 0.000 0.445 113 H N 1.302 120.259 119.070 -0.188 0.000 3.045 113 H HA 0.299 4.821 4.556 -0.056 0.000 0.254 113 H C 0.161 175.507 175.328 0.030 0.000 1.747 113 H CA 0.227 56.098 56.048 -0.295 0.000 1.444 113 H CB -0.139 29.091 29.762 -0.888 0.000 1.778 113 H HN 0.347 nan 8.280 nan 0.000 0.544 114 V N 3.295 123.234 119.914 0.040 0.000 2.572 114 V HA -0.035 4.051 4.120 -0.055 0.000 0.291 114 V C 0.927 177.263 176.094 0.403 0.000 1.039 114 V CA -0.594 61.727 62.300 0.035 0.000 1.055 114 V CB 0.244 31.920 31.823 -0.244 0.000 0.969 114 V HN 0.743 nan 8.190 nan 0.000 0.482 115 E N 4.230 124.514 120.200 0.141 0.000 2.437 115 E HA -0.077 4.240 4.350 -0.055 0.000 0.263 115 E C 0.046 176.584 176.600 -0.105 0.000 1.030 115 E CA -0.488 55.975 56.400 0.105 0.000 0.934 115 E CB 0.400 30.105 29.700 0.008 0.000 0.943 115 E HN 0.585 nan 8.360 nan 0.000 0.444 116 N N 2.795 121.456 118.700 -0.065 0.000 2.402 116 N HA -0.020 4.687 4.740 -0.055 0.000 0.259 116 N C -0.097 175.165 175.510 -0.414 0.000 1.167 116 N CA -0.106 52.652 53.050 -0.487 0.000 0.949 116 N CB -0.133 38.158 38.487 -0.327 0.000 1.212 116 N HN 0.441 nan 8.380 nan 0.000 0.493 117 F N 2.289 122.048 119.950 -0.317 0.000 2.161 117 F HA -0.184 4.310 4.527 -0.055 0.000 0.300 117 F C 2.228 177.907 175.800 -0.202 0.000 1.089 117 F CA 0.711 58.621 58.000 -0.149 0.000 1.282 117 F CB -0.397 38.547 39.000 -0.093 0.000 1.010 117 F HN 0.316 nan 8.300 nan 0.000 0.485 118 V N -0.367 119.372 119.914 -0.290 0.000 2.323 118 V HA -0.226 3.861 4.120 -0.055 0.000 0.244 118 V C 2.421 178.411 176.094 -0.173 0.000 1.041 118 V CA 2.303 64.334 62.300 -0.448 0.000 1.025 118 V CB -1.129 30.374 31.823 -0.533 0.000 0.656 118 V HN 0.529 nan 8.190 nan 0.000 0.451 119 T N -3.058 111.400 114.554 -0.160 0.000 3.057 119 T HA 0.278 4.595 4.350 -0.055 0.000 0.254 119 T C 1.614 176.294 174.700 -0.034 0.000 1.094 119 T CA 1.012 63.062 62.100 -0.083 0.000 1.088 119 T CB 0.636 69.450 68.868 -0.091 0.000 0.934 119 T HN 0.976 nan 8.240 nan 0.000 0.497 120 G N 0.783 109.566 108.800 -0.028 0.000 2.162 120 G HA2 -0.104 3.823 3.960 -0.055 0.000 0.260 120 G HA3 -0.104 3.823 3.960 -0.055 0.000 0.260 120 G C 0.545 175.449 174.900 0.007 0.000 0.976 120 G CA 0.099 45.206 45.100 0.012 0.000 0.655 120 G HN 1.027 nan 8.290 nan 0.000 0.533 121 G N -0.140 108.649 108.800 -0.018 0.000 2.508 121 G HA2 0.684 4.611 3.960 -0.055 0.000 0.278 121 G HA3 0.684 4.611 3.960 -0.055 0.000 0.278 121 G C 0.743 175.656 174.900 0.022 0.000 1.389 121 G CA 0.906 46.005 45.100 -0.001 0.000 1.050 121 G HN 1.580 nan 8.290 nan 0.000 0.522 122 S N -1.552 114.151 115.700 0.005 0.000 2.686 122 S HA 0.348 4.785 4.470 -0.055 0.000 0.270 122 S C 1.330 175.984 174.600 0.090 0.000 1.194 122 S CA 0.171 58.347 58.200 -0.039 0.000 0.990 122 S CB 0.642 63.645 63.200 -0.328 0.000 1.029 122 S HN 0.845 nan 8.310 nan 0.000 0.560 123 F N -1.167 118.950 119.950 0.277 0.000 2.307 123 F HA 0.019 4.513 4.527 -0.056 0.000 0.301 123 F C 1.614 177.561 175.800 0.245 0.000 1.076 123 F CA 0.563 58.722 58.000 0.265 0.000 1.383 123 F CB -1.060 37.988 39.000 0.081 0.000 1.055 123 F HN 0.472 nan 8.300 nan 0.000 0.526 124 Y N 0.660 120.888 120.300 -0.119 0.000 2.519 124 Y HA 0.058 4.576 4.550 -0.054 0.000 0.287 124 Y C 0.721 176.635 175.900 0.023 0.000 1.128 124 Y CA -0.210 57.901 58.100 0.020 0.000 1.282 124 Y CB -0.763 37.623 38.460 -0.124 0.000 1.027 124 Y HN 0.048 nan 8.280 nan 0.000 0.551 125 D N 0.296 120.800 120.400 0.173 0.000 2.338 125 D HA 0.004 4.611 4.640 -0.055 0.000 0.255 125 D C 0.913 177.264 176.300 0.085 0.000 1.237 125 D CA 0.351 54.406 54.000 0.091 0.000 0.883 125 D CB 0.779 41.602 40.800 0.037 0.000 1.087 125 D HN 0.263 nan 8.370 nan 0.000 0.485 126 T N -0.154 114.385 114.554 -0.024 0.000 3.105 126 T HA 0.145 4.461 4.350 -0.055 0.000 0.253 126 T C 0.913 175.419 174.700 -0.325 0.000 1.047 126 T CA -0.352 61.593 62.100 -0.258 0.000 0.944 126 T CB -0.224 68.412 68.868 -0.386 0.000 1.016 126 T HN 0.256 nan 8.240 nan 0.000 0.544 127 S N -0.094 115.519 115.700 -0.145 0.000 2.681 127 S HA 0.646 5.083 4.470 -0.055 0.000 0.270 127 S C 1.411 175.929 174.600 -0.137 0.000 1.209 127 S CA 0.100 58.234 58.200 -0.109 0.000 0.988 127 S CB 0.850 64.017 63.200 -0.056 0.000 1.006 127 S HN 1.155 nan 8.310 nan 0.000 0.558 128 G N 0.079 108.815 108.800 -0.106 0.000 2.213 128 G HA2 -0.201 3.726 3.960 -0.055 0.000 0.226 128 G HA3 -0.201 3.726 3.960 -0.055 0.000 0.226 128 G C 0.149 174.975 174.900 -0.123 0.000 0.992 128 G CA 0.447 45.465 45.100 -0.138 0.000 0.632 128 G HN 1.397 nan 8.290 nan 0.000 0.511 129 D N -0.552 119.806 120.400 -0.070 0.000 2.723 129 D HA -0.146 4.461 4.640 -0.055 0.000 0.236 129 D C 1.406 177.686 176.300 -0.034 0.000 1.138 129 D CA 2.010 56.009 54.000 -0.002 0.000 0.676 129 D CB -1.260 39.551 40.800 0.017 0.000 1.069 129 D HN 0.562 nan 8.370 nan 0.000 0.430 130 T N -0.558 113.927 114.554 -0.115 0.000 2.821 130 T HA -0.102 4.214 4.350 -0.055 0.000 0.267 130 T C 2.074 176.760 174.700 -0.023 0.000 1.046 130 T CA 0.924 62.857 62.100 -0.277 0.000 1.139 130 T CB -0.043 68.332 68.868 -0.822 0.000 0.871 130 T HN 0.427 nan 8.240 nan 0.000 0.454 131 L N 0.806 122.216 121.223 0.311 0.000 1.989 131 L HA -0.147 4.160 4.340 -0.055 0.000 0.211 131 L C 2.763 179.747 176.870 0.190 0.000 1.071 131 L CA 1.623 56.714 54.840 0.419 0.000 0.749 131 L CB -0.183 42.151 42.059 0.459 0.000 0.890 131 L HN 0.153 nan 8.230 nan 0.000 0.431 132 R N -0.485 120.098 120.500 0.138 0.000 2.115 132 R HA -0.090 4.217 4.340 -0.055 0.000 0.230 132 R C 2.204 178.530 176.300 0.044 0.000 1.111 132 R CA 1.061 57.207 56.100 0.077 0.000 0.976 132 R CB -0.376 29.968 30.300 0.072 0.000 0.870 132 R HN 0.473 nan 8.270 nan 0.000 0.445 133 A N 0.910 123.753 122.820 0.038 0.000 2.015 133 A HA -0.079 4.208 4.320 -0.055 0.000 0.219 133 A C 2.124 179.752 177.584 0.073 0.000 1.163 133 A CA 1.385 53.449 52.037 0.044 0.000 0.646 133 A CB -0.168 18.822 19.000 -0.017 0.000 0.806 133 A HN 0.255 nan 8.150 nan 0.000 0.448 134 V N -2.922 117.036 119.914 0.073 0.000 3.650 134 V HA 0.338 4.424 4.120 -0.055 0.000 0.271 134 V C 0.840 177.011 176.094 0.127 0.000 1.281 134 V CA -0.288 62.068 62.300 0.092 0.000 1.120 134 V CB -0.981 30.916 31.823 0.124 0.000 0.856 134 V HN 0.303 nan 8.190 nan 0.000 0.443 135 L N 1.247 122.488 121.223 0.031 0.000 2.482 135 L HA 0.277 4.584 4.340 -0.055 0.000 0.273 135 L C -1.955 174.742 176.870 -0.288 0.000 1.228 135 L CA -1.469 53.323 54.840 -0.080 0.000 0.827 135 L CB -0.159 41.854 42.059 -0.077 0.000 1.099 135 L HN 0.087 nan 8.230 nan 0.000 0.494 136 P HA -0.027 nan 4.420 nan 0.000 0.260 136 P C 0.627 177.574 177.300 -0.588 0.000 1.172 136 P CA 1.115 63.676 63.100 -0.898 0.000 0.760 136 P CB 0.498 31.689 31.700 -0.849 0.000 0.773 137 G N 2.039 110.518 108.800 -0.535 0.000 2.199 137 G HA2 -0.173 3.754 3.960 -0.055 0.000 0.254 137 G HA3 -0.173 3.754 3.960 -0.055 0.000 0.254 137 G C 0.619 175.419 174.900 -0.167 0.000 0.982 137 G CA -0.174 44.751 45.100 -0.291 0.000 0.632 137 G HN 0.885 nan 8.290 nan 0.000 0.529 138 G N 0.179 108.891 108.800 -0.147 0.000 2.503 138 G HA2 0.557 4.484 3.960 -0.055 0.000 0.257 138 G HA3 0.557 4.484 3.960 -0.055 0.000 0.257 138 G C 1.257 176.168 174.900 0.018 0.000 1.214 138 G CA 0.933 46.013 45.100 -0.033 0.000 0.839 138 G HN 1.270 nan 8.290 nan 0.000 0.559 139 S N 0.116 115.849 115.700 0.054 0.000 2.419 139 S HA -0.144 4.292 4.470 -0.055 0.000 0.233 139 S C 1.352 175.942 174.600 -0.016 0.000 1.016 139 S CA 1.375 59.603 58.200 0.047 0.000 0.974 139 S CB -0.222 63.044 63.200 0.111 0.000 0.786 139 S HN 0.627 nan 8.310 nan 0.000 0.492 140 H N -0.857 118.196 119.070 -0.029 0.000 2.528 140 H HA 0.352 4.875 4.556 -0.056 0.000 0.282 140 H C 1.209 176.461 175.328 -0.128 0.000 1.097 140 H CA -0.093 55.913 56.048 -0.071 0.000 1.121 140 H CB -0.131 29.591 29.762 -0.066 0.000 1.590 140 H HN 0.576 nan 8.280 nan 0.000 0.553 141 H N 0.780 119.797 119.070 -0.089 0.000 2.387 141 H HA -0.100 4.424 4.556 -0.053 0.000 0.299 141 H C 2.207 177.438 175.328 -0.161 0.000 1.099 141 H CA 1.670 57.630 56.048 -0.146 0.000 1.315 141 H CB 0.128 29.799 29.762 -0.152 0.000 1.380 141 H HN 0.388 nan 8.280 nan 0.000 0.513 142 A N 0.420 123.140 122.820 -0.166 0.000 1.978 142 A HA -0.218 4.069 4.320 -0.055 0.000 0.220 142 A C 2.203 179.641 177.584 -0.243 0.000 1.170 142 A CA 1.951 53.878 52.037 -0.184 0.000 0.636 142 A CB -0.420 18.530 19.000 -0.084 0.000 0.810 142 A HN 0.691 nan 8.150 nan 0.000 0.448 143 E N -0.894 119.114 120.200 -0.320 0.000 2.107 143 E HA -0.107 4.210 4.350 -0.055 0.000 0.191 143 E C 1.894 178.087 176.600 -0.678 0.000 0.982 143 E CA 0.931 57.068 56.400 -0.439 0.000 0.809 143 E CB -0.218 29.186 29.700 -0.495 0.000 0.756 143 E HN 0.501 nan 8.360 nan 0.000 0.459 144 L N 0.703 121.455 121.223 -0.787 0.000 2.012 144 L HA -0.173 4.134 4.340 -0.055 0.000 0.210 144 L C 2.146 178.941 176.870 -0.126 0.000 1.073 144 L CA 1.465 56.085 54.840 -0.367 0.000 0.748 144 L CB -0.471 41.496 42.059 -0.153 0.000 0.891 144 L HN -0.018 nan 8.230 nan 0.000 0.431 145 V N 0.205 119.927 119.914 -0.320 0.000 2.287 145 V HA -0.358 3.729 4.120 -0.055 0.000 0.248 145 V C 2.825 178.843 176.094 -0.127 0.000 1.053 145 V CA 1.860 63.938 62.300 -0.369 0.000 1.027 145 V CB -1.406 30.189 31.823 -0.379 0.000 0.646 145 V HN 0.650 nan 8.190 nan 0.000 0.447 146 A N -1.306 121.486 122.820 -0.047 0.000 1.883 146 A HA -0.298 3.988 4.320 -0.055 0.000 0.217 146 A C 2.152 179.821 177.584 0.142 0.000 1.186 146 A CA 2.247 54.316 52.037 0.054 0.000 0.624 146 A CB -0.856 18.176 19.000 0.054 0.000 0.822 146 A HN 0.630 nan 8.150 nan 0.000 0.444 147 Y N 0.319 120.677 120.300 0.097 0.000 2.181 147 Y HA -0.148 4.371 4.550 -0.052 0.000 0.288 147 Y C 2.044 178.046 175.900 0.170 0.000 1.146 147 Y CA 1.876 60.105 58.100 0.215 0.000 1.164 147 Y CB -0.141 38.580 38.460 0.434 0.000 0.982 147 Y HN 0.228 nan 8.280 nan 0.000 0.515 148 L N -0.589 120.824 121.223 0.316 0.000 2.217 148 L HA -0.189 4.118 4.340 -0.055 0.000 0.211 148 L C 1.848 178.832 176.870 0.190 0.000 1.107 148 L CA 1.055 56.046 54.840 0.252 0.000 0.783 148 L CB -0.513 41.686 42.059 0.233 0.000 0.919 148 L HN 0.170 nan 8.230 nan 0.000 0.442 149 D N 0.234 120.743 120.400 0.181 0.000 2.117 149 D HA -0.178 4.429 4.640 -0.055 0.000 0.197 149 D C 1.734 178.040 176.300 0.010 0.000 0.987 149 D CA 1.168 55.242 54.000 0.124 0.000 0.829 149 D CB -0.122 40.746 40.800 0.113 0.000 0.961 149 D HN 0.257 nan 8.370 nan 0.000 0.460 150 D N 0.156 120.543 120.400 -0.021 0.000 2.144 150 D HA -0.068 4.539 4.640 -0.055 0.000 0.199 150 D C 2.269 178.496 176.300 -0.121 0.000 0.984 150 D CA 0.343 54.291 54.000 -0.087 0.000 0.834 150 D CB -0.196 40.519 40.800 -0.141 0.000 0.955 150 D HN 0.280 nan 8.370 nan 0.000 0.465 151 I N 0.950 121.452 120.570 -0.113 0.000 2.226 151 I HA -0.240 3.897 4.170 -0.055 0.000 0.245 151 I C 2.419 178.416 176.117 -0.200 0.000 1.100 151 I CA 0.941 62.157 61.300 -0.140 0.000 1.374 151 I CB -0.211 37.722 38.000 -0.112 0.000 1.057 151 I HN -0.069 nan 8.210 nan 0.000 0.413 152 A N 0.250 122.960 122.820 -0.183 0.000 1.933 152 A HA -0.267 4.020 4.320 -0.055 0.000 0.218 152 A C 2.311 179.753 177.584 -0.237 0.000 1.175 152 A CA 1.892 53.771 52.037 -0.262 0.000 0.628 152 A CB -0.624 18.262 19.000 -0.190 0.000 0.814 152 A HN 0.492 nan 8.150 nan 0.000 0.444 153 E N -0.528 119.571 120.200 -0.167 0.000 2.051 153 E HA -0.214 4.103 4.350 -0.055 0.000 0.192 153 E C 1.944 178.436 176.600 -0.181 0.000 0.991 153 E CA 1.415 57.726 56.400 -0.149 0.000 0.799 153 E CB -0.213 29.423 29.700 -0.106 0.000 0.748 153 E HN 0.502 nan 8.360 nan 0.000 0.449 154 L N 0.827 121.923 121.223 -0.211 0.000 2.042 154 L HA -0.130 4.177 4.340 -0.055 0.000 0.210 154 L C 2.279 178.980 176.870 -0.281 0.000 1.076 154 L CA 2.248 56.920 54.840 -0.281 0.000 0.749 154 L CB -0.639 41.180 42.059 -0.400 0.000 0.893 154 L HN 0.154 nan 8.230 nan 0.000 0.432 155 A N -0.719 121.933 122.820 -0.280 0.000 1.908 155 A HA -0.314 3.973 4.320 -0.055 0.000 0.218 155 A C 2.097 179.530 177.584 -0.251 0.000 1.181 155 A CA 2.140 53.999 52.037 -0.297 0.000 0.627 155 A CB -1.074 17.535 19.000 -0.652 0.000 0.818 155 A HN 0.627 nan 8.150 nan 0.000 0.445 156 D N -0.818 119.439 120.400 -0.239 0.000 2.194 156 D HA 0.123 4.730 4.640 -0.055 0.000 0.204 156 D C 1.848 178.055 176.300 -0.155 0.000 0.964 156 D CA 1.122 55.010 54.000 -0.187 0.000 0.846 156 D CB -0.140 40.558 40.800 -0.170 0.000 0.962 156 D HN 0.332 nan 8.370 nan 0.000 0.490 157 A N -0.505 122.219 122.820 -0.161 0.000 2.119 157 A HA 0.073 4.360 4.320 -0.055 0.000 0.217 157 A C 1.414 178.909 177.584 -0.148 0.000 1.153 157 A CA 0.327 52.279 52.037 -0.141 0.000 0.692 157 A CB -0.054 18.864 19.000 -0.137 0.000 0.799 157 A HN 0.133 nan 8.150 nan 0.000 0.458 158 S N 1.176 116.774 115.700 -0.170 0.000 4.139 158 S HA 0.322 4.759 4.470 -0.055 0.000 0.215 158 S C 0.072 174.585 174.600 -0.145 0.000 1.390 158 S CA -0.123 57.977 58.200 -0.167 0.000 0.885 158 S CB -0.400 62.692 63.200 -0.180 0.000 1.560 158 S HN 0.466 nan 8.310 nan 0.000 0.449 159 R N 1.412 121.832 120.500 -0.133 0.000 2.670 159 R HA 0.429 4.735 4.340 -0.055 0.000 0.289 159 R C 0.019 176.245 176.300 -0.123 0.000 0.965 159 R CA -0.915 55.111 56.100 -0.124 0.000 0.899 159 R CB 1.657 31.893 30.300 -0.106 0.000 1.173 159 R HN 0.368 nan 8.270 nan 0.000 0.456 160 R N 0.912 121.334 120.500 -0.130 0.000 2.801 160 R HA -0.025 4.282 4.340 -0.055 0.000 0.273 160 R C 0.312 176.555 176.300 -0.095 0.000 1.080 160 R CA -0.430 55.596 56.100 -0.123 0.000 1.197 160 R CB 0.388 30.608 30.300 -0.133 0.000 1.109 160 R HN 0.606 nan 8.270 nan 0.000 0.535 161 D N 1.377 121.726 120.400 -0.085 0.000 2.190 161 D HA -0.164 4.443 4.640 -0.055 0.000 0.200 161 D C 1.173 177.437 176.300 -0.060 0.000 0.992 161 D CA 1.622 55.582 54.000 -0.067 0.000 0.854 161 D CB -0.255 40.509 40.800 -0.059 0.000 0.936 161 D HN 0.575 nan 8.370 nan 0.000 0.462 162 D N -1.050 119.312 120.400 -0.063 0.000 2.363 162 D HA 0.060 4.667 4.640 -0.055 0.000 0.226 162 D C 1.516 177.782 176.300 -0.057 0.000 1.020 162 D CA 0.943 54.910 54.000 -0.054 0.000 0.892 162 D CB -0.137 40.633 40.800 -0.050 0.000 0.900 162 D HN 0.250 nan 8.370 nan 0.000 0.531 163 G N -0.725 108.036 108.800 -0.066 0.000 2.195 163 G HA2 -0.261 3.665 3.960 -0.055 0.000 0.246 163 G HA3 -0.261 3.665 3.960 -0.055 0.000 0.246 163 G C 0.427 175.282 174.900 -0.076 0.000 0.984 163 G CA 0.211 45.270 45.100 -0.068 0.000 0.633 163 G HN 0.456 nan 8.290 nan 0.000 0.525 164 T N 2.348 116.854 114.554 -0.081 0.000 2.853 164 T HA 0.442 4.759 4.350 -0.055 0.000 0.298 164 T C 0.951 175.586 174.700 -0.108 0.000 0.978 164 T CA -0.047 62.001 62.100 -0.087 0.000 1.152 164 T CB 1.037 69.851 68.868 -0.090 0.000 0.914 164 T HN 0.360 nan 8.240 nan 0.000 0.539 165 L N 4.104 125.268 121.223 -0.098 0.000 2.513 165 L HA 0.215 4.522 4.340 -0.055 0.000 0.272 165 L C 0.486 177.281 176.870 -0.125 0.000 1.187 165 L CA -0.124 54.652 54.840 -0.107 0.000 0.895 165 L CB 0.134 42.138 42.059 -0.091 0.000 1.147 165 L HN 0.555 nan 8.230 nan 0.000 0.483 166 I N 6.005 126.486 120.570 -0.147 0.000 2.352 166 I HA 0.180 4.316 4.170 -0.055 0.000 0.290 166 I C -1.942 174.121 176.117 -0.091 0.000 1.036 166 I CA -1.863 59.322 61.300 -0.191 0.000 1.336 166 I CB 0.793 38.665 38.000 -0.214 0.000 1.407 166 I HN 0.340 nan 8.210 nan 0.000 0.497 167 P HA 0.188 nan 4.420 nan 0.000 0.265 167 P C -0.736 176.622 177.300 0.097 0.000 1.193 167 P CA 0.303 63.456 63.100 0.089 0.000 0.765 167 P CB 0.487 32.317 31.700 0.217 0.000 0.823 168 I N 2.253 122.889 120.570 0.109 0.000 2.533 168 I HA 0.212 4.349 4.170 -0.055 0.000 0.290 168 I C -0.491 175.578 176.117 -0.080 0.000 1.056 168 I CA -1.173 60.143 61.300 0.025 0.000 1.057 168 I CB 2.371 40.367 38.000 -0.006 0.000 1.240 168 I HN -0.060 nan 8.210 nan 0.000 0.423 169 V N 6.196 126.079 119.914 -0.051 0.000 2.356 169 V HA 0.143 4.229 4.120 -0.055 0.000 0.258 169 V C -0.286 175.740 176.094 -0.114 0.000 1.065 169 V CA -0.260 62.009 62.300 -0.051 0.000 0.935 169 V CB 0.217 32.072 31.823 0.053 0.000 1.061 169 V HN 0.383 nan 8.190 nan 0.000 0.484 170 F N 6.113 125.751 119.950 -0.518 0.000 2.424 170 F HA 0.492 4.994 4.527 -0.043 0.000 0.356 170 F C 0.613 176.306 175.800 -0.179 0.000 1.110 170 F CA -0.881 56.776 58.000 -0.572 0.000 1.161 170 F CB 0.670 38.968 39.000 -1.170 0.000 1.115 170 F HN 0.396 nan 8.300 nan 0.000 0.507 171 R N 8.310 128.485 120.500 -0.543 0.000 2.587 171 R HA 0.374 4.681 4.340 -0.055 0.000 0.283 171 R C -2.835 173.107 176.300 -0.596 0.000 1.472 171 R CA -1.876 54.020 56.100 -0.340 0.000 1.578 171 R CB 0.400 30.649 30.300 -0.086 0.000 1.130 171 R HN 0.361 nan 8.270 nan 0.000 0.602 172 P HA 0.079 nan 4.420 nan 0.000 0.279 172 P C -0.907 176.119 177.300 -0.456 0.000 1.252 172 P CA -0.146 62.325 63.100 -1.048 0.000 0.811 172 P CB 0.391 31.270 31.700 -1.369 0.000 1.035 173 W N -0.036 121.003 121.300 -0.435 0.000 5.963 173 W HA -0.210 4.415 4.660 -0.059 0.000 0.400 173 W C 0.990 177.663 176.519 0.257 0.000 1.530 173 W CA -0.070 56.982 57.345 -0.488 0.000 1.004 173 W CB -2.845 26.539 29.460 -0.127 0.000 2.706 173 W HN 0.475 nan 8.180 nan 0.000 1.495 174 H N -0.208 119.036 119.070 0.290 0.000 2.546 174 H HA 0.373 4.896 4.556 -0.056 0.000 0.365 174 H C 0.987 176.636 175.328 0.535 0.000 1.220 174 H CA 0.161 56.412 56.048 0.340 0.000 1.386 174 H CB 0.611 30.479 29.762 0.176 0.000 1.510 174 H HN 0.441 nan 8.280 nan 0.000 0.591 175 E N 0.032 120.391 120.200 0.266 0.000 2.586 175 E HA -0.262 4.055 4.350 -0.055 0.000 0.259 175 E C 0.636 177.187 176.600 -0.081 0.000 1.107 175 E CA 0.729 57.231 56.400 0.171 0.000 0.754 175 E CB -1.011 28.919 29.700 0.384 0.000 1.335 175 E HN 0.850 nan 8.360 nan 0.000 0.411 176 N N -0.386 118.309 118.700 -0.009 0.000 2.494 176 N HA -0.048 4.659 4.740 -0.055 0.000 0.182 176 N C 1.585 176.936 175.510 -0.265 0.000 1.076 176 N CA 1.005 53.985 53.050 -0.116 0.000 0.908 176 N CB 0.068 38.445 38.487 -0.183 0.000 0.967 176 N HN 0.280 nan 8.380 nan 0.000 0.449 177 A N 0.520 123.215 122.820 -0.208 0.000 2.119 177 A HA 0.246 4.533 4.320 -0.055 0.000 0.217 177 A C 1.342 178.746 177.584 -0.299 0.000 1.153 177 A CA 0.798 52.745 52.037 -0.151 0.000 0.692 177 A CB -0.673 18.362 19.000 0.058 0.000 0.799 177 A HN 0.445 nan 8.150 nan 0.000 0.458 178 G N -2.188 106.243 108.800 -0.615 0.000 2.557 178 G HA2 0.451 4.378 3.960 -0.055 0.000 0.302 178 G HA3 0.451 4.378 3.960 -0.055 0.000 0.302 178 G C 0.092 174.382 174.900 -1.017 0.000 1.311 178 G CA 0.226 44.684 45.100 -1.070 0.000 1.030 178 G HN 0.148 nan 8.290 nan 0.000 0.509 179 S N -0.476 114.705 115.700 -0.866 0.000 2.809 179 S HA 0.103 4.539 4.470 -0.055 0.000 0.248 179 S C 0.697 175.205 174.600 -0.154 0.000 1.071 179 S CA -0.544 57.419 58.200 -0.396 0.000 1.059 179 S CB -0.132 62.902 63.200 -0.276 0.000 0.923 179 S HN 0.742 nan 8.310 nan 0.000 0.516 180 W N -0.112 121.059 121.300 -0.215 0.000 2.658 180 W HA 0.478 5.104 4.660 -0.056 0.000 0.263 180 W C -0.282 176.118 176.519 -0.199 0.000 1.274 180 W CA -0.222 56.968 57.345 -0.259 0.000 1.343 180 W CB -0.406 28.808 29.460 -0.409 0.000 1.106 180 W HN 0.046 nan 8.180 nan 0.000 0.615 181 F N 1.424 121.167 119.950 -0.344 0.000 2.470 181 F HA 0.261 4.756 4.527 -0.052 0.000 0.329 181 F C 1.486 176.894 175.800 -0.653 0.000 1.072 181 F CA -2.687 54.857 58.000 -0.759 0.000 0.989 181 F CB 0.237 38.109 39.000 -1.878 0.000 1.193 181 F HN 0.021 nan 8.300 nan 0.000 0.481 182 W N 0.673 121.788 121.300 -0.308 0.000 2.525 182 W HA -0.109 4.515 4.660 -0.059 0.000 0.259 182 W C 0.719 177.295 176.519 0.095 0.000 1.253 182 W CA 0.512 57.719 57.345 -0.230 0.000 1.262 182 W CB -1.028 28.366 29.460 -0.109 0.000 1.122 182 W HN 0.812 nan 8.180 nan 0.000 0.607 183 W N 2.123 123.437 121.300 0.025 0.000 3.353 183 W HA 0.634 5.264 4.660 -0.050 0.000 0.304 183 W C 0.819 177.478 176.519 0.234 0.000 1.273 183 W CA -0.702 56.712 57.345 0.114 0.000 1.773 183 W CB -0.926 28.463 29.460 -0.118 0.000 1.095 183 W HN -0.171 nan 8.180 nan 0.000 0.676 184 G N 0.674 109.546 108.800 0.120 0.000 2.621 184 G HA2 0.321 4.248 3.960 -0.055 0.000 0.271 184 G HA3 0.321 4.248 3.960 -0.055 0.000 0.271 184 G C 1.037 175.899 174.900 -0.063 0.000 1.236 184 G CA -0.221 44.848 45.100 -0.053 0.000 0.958 184 G HN 0.301 nan 8.290 nan 0.000 0.512 185 A N -0.622 122.053 122.820 -0.243 0.000 2.019 185 A HA 0.220 4.507 4.320 -0.055 0.000 0.219 185 A C 2.439 179.842 177.584 -0.302 0.000 1.164 185 A CA 2.169 54.077 52.037 -0.215 0.000 0.644 185 A CB -0.446 18.432 19.000 -0.203 0.000 0.805 185 A HN 1.245 nan 8.150 nan 0.000 0.449 186 A N -1.966 120.476 122.820 -0.630 0.000 2.238 186 A HA 0.307 4.593 4.320 -0.055 0.000 0.208 186 A C 1.095 178.201 177.584 -0.797 0.000 1.177 186 A CA 0.543 52.118 52.037 -0.771 0.000 0.804 186 A CB -0.391 18.062 19.000 -0.911 0.000 0.823 186 A HN 0.584 nan 8.150 nan 0.000 0.482 187 Y N -1.264 119.061 120.300 0.042 0.000 2.588 187 Y HA 0.494 5.011 4.550 -0.055 0.000 0.247 187 Y C 0.947 176.912 175.900 0.109 0.000 1.157 187 Y CA -0.562 57.590 58.100 0.086 0.000 1.215 187 Y CB 0.375 38.916 38.460 0.134 0.000 1.245 187 Y HN 0.223 nan 8.280 nan 0.000 0.534 188 G N -0.062 108.822 108.800 0.140 0.000 2.655 188 G HA2 0.387 4.313 3.960 -0.055 0.000 0.296 188 G HA3 0.387 4.313 3.960 -0.055 0.000 0.296 188 G C -0.869 174.087 174.900 0.094 0.000 1.485 188 G CA -0.688 44.496 45.100 0.139 0.000 0.869 188 G HN 0.077 nan 8.290 nan 0.000 0.540 189 S N 1.856 117.605 115.700 0.082 0.000 2.576 189 S HA 0.301 4.737 4.470 -0.055 0.000 0.272 189 S C -1.164 173.495 174.600 0.099 0.000 1.352 189 S CA -0.240 58.001 58.200 0.068 0.000 1.021 189 S CB 1.458 64.694 63.200 0.060 0.000 0.887 189 S HN 0.261 nan 8.310 nan 0.000 0.542 190 P HA -0.061 nan 4.420 nan 0.000 0.216 190 P C 1.706 179.087 177.300 0.136 0.000 1.154 190 P CA 1.848 65.014 63.100 0.111 0.000 0.865 190 P CB -0.520 31.224 31.700 0.073 0.000 0.789 191 G N -0.374 108.478 108.800 0.087 0.000 2.408 191 G HA2 -0.234 3.693 3.960 -0.055 0.000 0.217 191 G HA3 -0.234 3.693 3.960 -0.055 0.000 0.217 191 G C 1.449 176.384 174.900 0.059 0.000 1.150 191 G CA 0.569 45.705 45.100 0.060 0.000 0.776 191 G HN 0.289 nan 8.290 nan 0.000 0.542 192 E N -0.695 119.554 120.200 0.081 0.000 2.072 192 E HA -0.147 4.170 4.350 -0.055 0.000 0.191 192 E C 2.052 178.696 176.600 0.074 0.000 0.985 192 E CA 0.935 57.377 56.400 0.071 0.000 0.801 192 E CB -0.279 29.474 29.700 0.087 0.000 0.750 192 E HN 0.561 nan 8.360 nan 0.000 0.452 193 Y N 1.982 122.303 120.300 0.035 0.000 2.165 193 Y HA -0.289 4.230 4.550 -0.053 0.000 0.286 193 Y C 2.189 178.102 175.900 0.023 0.000 1.155 193 Y CA 1.907 60.034 58.100 0.046 0.000 1.164 193 Y CB -0.058 38.468 38.460 0.109 0.000 0.978 193 Y HN 0.006 nan 8.280 nan 0.000 0.513 194 Q N -0.224 119.598 119.800 0.038 0.000 2.096 194 Q HA -0.210 4.097 4.340 -0.055 0.000 0.204 194 Q C 2.058 177.921 176.000 -0.229 0.000 0.982 194 Q CA 1.676 57.401 55.803 -0.131 0.000 0.850 194 Q CB -0.125 28.554 28.738 -0.098 0.000 0.901 194 Q HN 0.488 nan 8.270 nan 0.000 0.422 195 E N 0.582 120.708 120.200 -0.124 0.000 2.106 195 E HA -0.154 4.163 4.350 -0.055 0.000 0.192 195 E C 1.990 178.578 176.600 -0.021 0.000 0.984 195 E CA 0.511 56.881 56.400 -0.050 0.000 0.806 195 E CB -0.243 29.471 29.700 0.023 0.000 0.750 195 E HN 0.206 nan 8.360 nan 0.000 0.458 196 L N 0.241 121.380 121.223 -0.140 0.000 1.989 196 L HA -0.219 4.088 4.340 -0.055 0.000 0.211 196 L C 2.336 179.111 176.870 -0.159 0.000 1.071 196 L CA 1.754 56.459 54.840 -0.225 0.000 0.749 196 L CB -0.905 40.820 42.059 -0.556 0.000 0.890 196 L HN 0.081 nan 8.230 nan 0.000 0.431 197 Y N 0.199 120.254 120.300 -0.409 0.000 2.145 197 Y HA -0.233 4.287 4.550 -0.050 0.000 0.286 197 Y C 2.744 178.571 175.900 -0.123 0.000 1.145 197 Y CA 1.912 59.908 58.100 -0.172 0.000 1.148 197 Y CB -0.140 38.150 38.460 -0.283 0.000 0.981 197 Y HN 0.149 nan 8.280 nan 0.000 0.507 198 R N -1.114 119.295 120.500 -0.152 0.000 2.083 198 R HA -0.207 4.099 4.340 -0.055 0.000 0.237 198 R C 2.202 178.525 176.300 0.038 0.000 1.137 198 R CA 1.853 57.688 56.100 -0.443 0.000 0.951 198 R CB -0.909 28.763 30.300 -1.048 0.000 0.851 198 R HN 0.412 nan 8.270 nan 0.000 0.434 199 F N 1.717 121.722 119.950 0.091 0.000 2.126 199 F HA -0.234 4.260 4.527 -0.055 0.000 0.299 199 F C 2.033 177.984 175.800 0.253 0.000 1.096 199 F CA 1.865 60.018 58.000 0.255 0.000 1.255 199 F CB -0.534 38.658 39.000 0.319 0.000 0.997 199 F HN -0.104 nan 8.300 nan 0.000 0.479 200 T N 0.397 115.019 114.554 0.114 0.000 2.652 200 T HA -0.194 4.123 4.350 -0.055 0.000 0.267 200 T C 2.172 176.894 174.700 0.036 0.000 1.039 200 T CA 1.889 64.062 62.100 0.121 0.000 1.153 200 T CB -0.820 68.281 68.868 0.388 0.000 0.863 200 T HN 0.157 nan 8.240 nan 0.000 0.428 201 V N 1.499 121.388 119.914 -0.043 0.000 2.255 201 V HA -0.217 3.870 4.120 -0.055 0.000 0.247 201 V C 2.495 178.548 176.094 -0.069 0.000 1.051 201 V CA 1.890 64.082 62.300 -0.179 0.000 1.018 201 V CB -0.684 31.033 31.823 -0.177 0.000 0.641 201 V HN 0.539 nan 8.190 nan 0.000 0.445 202 E N -1.098 119.107 120.200 0.008 0.000 2.077 202 E HA -0.256 4.061 4.350 -0.055 0.000 0.193 202 E C 2.118 178.638 176.600 -0.133 0.000 0.989 202 E CA 1.730 58.132 56.400 0.003 0.000 0.800 202 E CB -0.305 29.473 29.700 0.130 0.000 0.746 202 E HN 0.716 nan 8.360 nan 0.000 0.452 203 Y N 1.280 121.326 120.300 -0.424 0.000 2.128 203 Y HA -0.236 4.281 4.550 -0.055 0.000 0.284 203 Y C 1.913 177.681 175.900 -0.221 0.000 1.154 203 Y CA 1.526 59.357 58.100 -0.448 0.000 1.149 203 Y CB -0.128 37.852 38.460 -0.799 0.000 0.976 203 Y HN -0.046 nan 8.280 nan 0.000 0.505 204 L N -0.423 120.747 121.223 -0.088 0.000 2.005 204 L HA -0.197 4.110 4.340 -0.055 0.000 0.207 204 L C 2.762 179.547 176.870 -0.142 0.000 1.072 204 L CA 1.810 56.593 54.840 -0.094 0.000 0.744 204 L CB -0.584 41.529 42.059 0.090 0.000 0.895 204 L HN 0.104 nan 8.230 nan 0.000 0.433 205 R N -0.107 120.364 120.500 -0.048 0.000 2.062 205 R HA -0.134 4.173 4.340 -0.055 0.000 0.229 205 R C 1.646 177.886 176.300 -0.099 0.000 1.128 205 R CA 1.809 57.889 56.100 -0.033 0.000 0.960 205 R CB 0.023 30.341 30.300 0.031 0.000 0.855 205 R HN 0.351 nan 8.270 nan 0.000 0.432 206 D N -0.679 119.645 120.400 -0.127 0.000 2.338 206 D HA -0.024 4.583 4.640 -0.055 0.000 0.224 206 D C 1.932 178.120 176.300 -0.187 0.000 0.967 206 D CA 0.695 54.622 54.000 -0.122 0.000 0.896 206 D CB 0.155 40.910 40.800 -0.074 0.000 1.028 206 D HN 0.079 nan 8.370 nan 0.000 0.493 207 V N 1.306 121.031 119.914 -0.315 0.000 2.446 207 V HA -0.064 4.023 4.120 -0.055 0.000 0.244 207 V C 2.015 177.862 176.094 -0.413 0.000 1.039 207 V CA 1.142 63.199 62.300 -0.405 0.000 1.045 207 V CB -0.098 31.350 31.823 -0.625 0.000 0.681 207 V HN 0.020 nan 8.190 nan 0.000 0.459 208 K N 0.087 120.199 120.400 -0.481 0.000 2.356 208 K HA 0.254 4.541 4.320 -0.055 0.000 0.195 208 K C 1.535 177.985 176.600 -0.250 0.000 1.037 208 K CA 0.809 56.880 56.287 -0.361 0.000 1.014 208 K CB -0.008 32.264 32.500 -0.379 0.000 0.815 208 K HN 0.532 nan 8.250 nan 0.000 0.507 209 G N 1.836 110.504 108.800 -0.221 0.000 2.176 209 G HA2 -0.240 3.687 3.960 -0.055 0.000 0.252 209 G HA3 -0.240 3.687 3.960 -0.055 0.000 0.252 209 G C 0.153 174.945 174.900 -0.180 0.000 1.024 209 G CA 0.254 45.255 45.100 -0.165 0.000 0.755 209 G HN 0.100 nan 8.290 nan 0.000 0.507 210 V N 1.062 120.835 119.914 -0.235 0.000 2.557 210 V HA 0.330 4.417 4.120 -0.055 0.000 0.301 210 V C 1.537 177.507 176.094 -0.208 0.000 1.026 210 V CA 1.418 63.521 62.300 -0.328 0.000 1.137 210 V CB 1.290 32.764 31.823 -0.581 0.000 0.917 210 V HN 1.035 nan 8.190 nan 0.000 0.484 211 S N 1.837 117.424 115.700 -0.187 0.000 2.666 211 S HA 0.058 4.495 4.470 -0.055 0.000 0.239 211 S C 0.805 175.382 174.600 -0.040 0.000 1.031 211 S CA -0.021 58.132 58.200 -0.079 0.000 1.015 211 S CB 0.011 63.170 63.200 -0.068 0.000 0.981 211 S HN 0.830 nan 8.310 nan 0.000 0.547 212 N N 0.834 119.485 118.700 -0.082 0.000 2.275 212 N HA 0.245 4.952 4.740 -0.055 0.000 0.236 212 N C -1.078 174.569 175.510 0.227 0.000 1.154 212 N CA -0.401 52.667 53.050 0.030 0.000 0.866 212 N CB -0.267 38.212 38.487 -0.013 0.000 1.093 212 N HN 0.215 nan 8.380 nan 0.000 0.515 213 F N 1.092 120.974 119.950 -0.113 0.000 2.443 213 F HA 0.534 5.038 4.527 -0.038 0.000 0.335 213 F C 0.421 176.085 175.800 -0.225 0.000 1.104 213 F CA -1.626 56.222 58.000 -0.254 0.000 1.013 213 F CB 1.357 40.050 39.000 -0.511 0.000 1.136 213 F HN -0.160 nan 8.300 nan 0.000 0.470 214 L N 3.952 125.137 121.223 -0.063 0.000 2.325 214 L HA 0.408 4.715 4.340 -0.055 0.000 0.278 214 L C -1.184 175.596 176.870 -0.150 0.000 1.023 214 L CA -0.982 53.861 54.840 0.004 0.000 0.811 214 L CB 1.445 43.571 42.059 0.112 0.000 1.249 214 L HN 0.438 nan 8.230 nan 0.000 0.431 215 Y N 1.412 121.876 120.300 0.274 0.000 2.331 215 Y HA 0.574 5.088 4.550 -0.061 0.000 0.338 215 Y C 0.403 176.515 175.900 0.354 0.000 0.976 215 Y CA -0.576 57.717 58.100 0.323 0.000 1.137 215 Y CB 1.703 40.403 38.460 0.400 0.000 1.172 215 Y HN 0.574 nan 8.280 nan 0.000 0.478 216 A N 3.773 126.851 122.820 0.430 0.000 2.324 216 A HA 0.660 4.947 4.320 -0.055 0.000 0.330 216 A C -1.810 176.110 177.584 0.561 0.000 1.165 216 A CA -0.611 51.680 52.037 0.424 0.000 0.813 216 A CB 0.602 19.781 19.000 0.298 0.000 1.197 216 A HN 0.882 nan 8.150 nan 0.000 0.484 217 W N 1.924 123.408 121.300 0.306 0.000 2.830 217 W HA 0.594 5.220 4.660 -0.057 0.000 0.335 217 W C -0.287 176.372 176.519 0.233 0.000 1.043 217 W CA -0.367 57.129 57.345 0.251 0.000 1.239 217 W CB 1.685 31.146 29.460 0.002 0.000 1.378 217 W HN 0.990 nan 8.180 nan 0.000 0.456 218 G N 6.875 115.449 108.800 -0.376 0.000 2.954 218 G HA2 0.305 4.231 3.960 -0.055 0.000 0.290 218 G HA3 0.305 4.231 3.960 -0.055 0.000 0.290 218 G C -2.158 172.503 174.900 -0.399 0.000 1.574 218 G CA -1.142 43.737 45.100 -0.369 0.000 1.088 218 G HN 0.325 nan 8.290 nan 0.000 0.557 219 P HA 0.146 nan 4.420 nan 0.000 0.233 219 P C 1.101 178.456 177.300 0.091 0.000 1.167 219 P CA 1.379 64.260 63.100 -0.365 0.000 0.770 219 P CB 1.030 32.428 31.700 -0.503 0.000 0.837 220 G N -1.645 107.321 108.800 0.276 0.000 2.403 220 G HA2 0.394 4.321 3.960 -0.055 0.000 0.223 220 G HA3 0.394 4.321 3.960 -0.055 0.000 0.223 220 G C -1.065 174.081 174.900 0.410 0.000 1.287 220 G CA -0.254 45.041 45.100 0.326 0.000 0.982 220 G HN 0.431 nan 8.290 nan 0.000 0.471 221 G N -2.457 106.394 108.800 0.085 0.000 2.727 221 G HA2 0.730 4.656 3.960 -0.055 0.000 0.289 221 G HA3 0.730 4.656 3.960 -0.055 0.000 0.289 221 G C 0.721 175.405 174.900 -0.359 0.000 1.418 221 G CA 0.939 46.069 45.100 0.050 0.000 0.818 221 G HN 2.434 nan 8.290 nan 0.000 0.486 222 G N -1.445 107.287 108.800 -0.113 0.000 2.272 222 G HA2 -0.215 3.712 3.960 -0.055 0.000 0.280 222 G HA3 -0.215 3.712 3.960 -0.055 0.000 0.280 222 G C 0.463 175.236 174.900 -0.211 0.000 1.067 222 G CA 0.730 45.763 45.100 -0.112 0.000 0.902 222 G HN 0.690 nan 8.290 nan 0.000 0.500 223 F N 0.154 120.141 119.950 0.062 0.000 2.789 223 F HA 0.354 4.848 4.527 -0.056 0.000 0.300 223 F C 2.199 178.011 175.800 0.022 0.000 1.132 223 F CA 0.726 58.761 58.000 0.059 0.000 1.404 223 F CB 0.322 39.374 39.000 0.087 0.000 1.114 223 F HN 0.753 nan 8.300 nan 0.000 0.584 224 G N 0.482 109.362 108.800 0.133 0.000 2.225 224 G HA2 -0.113 3.814 3.960 -0.055 0.000 0.267 224 G HA3 -0.113 3.814 3.960 -0.055 0.000 0.267 224 G C 1.305 176.232 174.900 0.045 0.000 1.024 224 G CA 0.291 45.428 45.100 0.062 0.000 0.784 224 G HN 1.146 nan 8.290 nan 0.000 0.507 225 G N -1.059 107.767 108.800 0.044 0.000 2.168 225 G HA2 -0.347 3.580 3.960 -0.055 0.000 0.263 225 G HA3 -0.347 3.580 3.960 -0.055 0.000 0.263 225 G C 0.315 175.215 174.900 0.001 0.000 0.977 225 G CA 0.770 45.859 45.100 -0.018 0.000 0.659 225 G HN 1.424 nan 8.290 nan 0.000 0.533 226 N N 0.559 119.301 118.700 0.071 0.000 2.402 226 N HA 0.249 4.956 4.740 -0.055 0.000 0.259 226 N C 1.734 177.286 175.510 0.069 0.000 1.167 226 N CA -0.145 52.952 53.050 0.078 0.000 0.949 226 N CB 0.210 38.772 38.487 0.125 0.000 1.212 226 N HN 0.501 nan 8.380 nan 0.000 0.493 227 R N 1.919 122.434 120.500 0.026 0.000 2.096 227 R HA -0.103 4.204 4.340 -0.055 0.000 0.235 227 R C 0.768 177.113 176.300 0.075 0.000 1.127 227 R CA 1.251 57.373 56.100 0.037 0.000 0.968 227 R CB 0.163 30.466 30.300 0.005 0.000 0.861 227 R HN 0.518 nan 8.270 nan 0.000 0.440 228 D N 0.042 120.481 120.400 0.064 0.000 2.097 228 D HA -0.125 4.482 4.640 -0.055 0.000 0.195 228 D C 1.975 178.328 176.300 0.088 0.000 0.989 228 D CA 1.162 55.201 54.000 0.065 0.000 0.827 228 D CB -0.223 40.610 40.800 0.056 0.000 0.966 228 D HN 0.009 nan 8.370 nan 0.000 0.456 229 V N 0.560 120.549 119.914 0.125 0.000 2.307 229 V HA -0.262 3.824 4.120 -0.055 0.000 0.245 229 V C 2.245 178.426 176.094 0.145 0.000 1.045 229 V CA 1.411 63.823 62.300 0.186 0.000 1.024 229 V CB -0.716 31.283 31.823 0.293 0.000 0.651 229 V HN 0.165 nan 8.190 nan 0.000 0.449 230 Y N 0.756 120.948 120.300 -0.181 0.000 2.165 230 Y HA -0.188 4.329 4.550 -0.055 0.000 0.286 230 Y C 1.946 177.795 175.900 -0.085 0.000 1.155 230 Y CA 1.705 59.441 58.100 -0.606 0.000 1.164 230 Y CB -0.145 37.868 38.460 -0.745 0.000 0.978 230 Y HN 0.182 nan 8.280 nan 0.000 0.513 231 L N 0.238 121.457 121.223 -0.005 0.000 2.611 231 L HA 0.123 4.430 4.340 -0.055 0.000 0.229 231 L C 2.238 179.144 176.870 0.060 0.000 1.137 231 L CA 0.182 55.026 54.840 0.007 0.000 0.901 231 L CB -0.335 41.709 42.059 -0.026 0.000 1.098 231 L HN 0.102 nan 8.230 nan 0.000 0.456 232 R N 0.916 121.459 120.500 0.071 0.000 2.091 232 R HA -0.167 4.140 4.340 -0.055 0.000 0.238 232 R C 1.953 178.304 176.300 0.085 0.000 1.136 232 R CA 2.042 58.188 56.100 0.076 0.000 0.959 232 R CB -0.071 30.275 30.300 0.078 0.000 0.856 232 R HN 0.391 nan 8.270 nan 0.000 0.437 233 T N -2.929 111.706 114.554 0.135 0.000 3.145 233 T HA 0.036 4.353 4.350 -0.055 0.000 0.255 233 T C 0.068 174.814 174.700 0.076 0.000 1.039 233 T CA -0.588 61.611 62.100 0.164 0.000 0.928 233 T CB -0.230 68.682 68.868 0.073 0.000 1.029 233 T HN 0.201 nan 8.240 nan 0.000 0.554 234 Y N 3.869 123.968 120.300 -0.335 0.000 2.804 234 Y HA 0.212 4.729 4.550 -0.054 0.000 0.338 234 Y C -1.800 173.701 175.900 -0.665 0.000 1.252 234 Y CA -2.333 55.170 58.100 -0.996 0.000 1.576 234 Y CB 0.816 38.841 38.460 -0.725 0.000 1.223 234 Y HN 0.084 nan 8.280 nan 0.000 0.536 235 P HA 0.100 nan 4.420 nan 0.000 0.223 235 P C -0.181 176.669 177.300 -0.749 0.000 1.151 235 P CA 1.639 64.217 63.100 -0.870 0.000 0.787 235 P CB 0.167 31.312 31.700 -0.926 0.000 0.788 236 G N -0.721 107.291 108.800 -1.314 0.000 2.484 236 G HA2 -0.121 3.806 3.960 -0.055 0.000 0.685 236 G HA3 -0.121 3.806 3.960 -0.055 0.000 0.685 236 G C -0.260 174.360 174.900 -0.467 0.000 1.294 236 G CA -0.327 44.334 45.100 -0.731 0.000 0.879 236 G HN -0.146 nan 8.290 nan 0.000 0.646 237 D N 0.236 120.584 120.400 -0.085 0.000 2.182 237 D HA -0.023 4.584 4.640 -0.055 0.000 0.201 237 D C 2.567 178.829 176.300 -0.063 0.000 0.986 237 D CA 1.881 55.915 54.000 0.057 0.000 0.847 237 D CB -0.196 40.663 40.800 0.099 0.000 0.942 237 D HN 0.928 nan 8.370 nan 0.000 0.467 238 A N -0.946 121.734 122.820 -0.233 0.000 2.235 238 A HA 0.042 4.328 4.320 -0.055 0.000 0.208 238 A C 1.074 178.198 177.584 -0.767 0.000 1.172 238 A CA 0.376 52.102 52.037 -0.518 0.000 0.786 238 A CB -0.393 18.177 19.000 -0.716 0.000 0.804 238 A HN 0.158 nan 8.150 nan 0.000 0.479 239 F N -1.904 117.997 119.950 -0.082 0.000 2.784 239 F HA 0.280 4.772 4.527 -0.059 0.000 0.323 239 F C 0.088 175.949 175.800 0.101 0.000 1.085 239 F CA -0.140 57.835 58.000 -0.043 0.000 1.196 239 F CB 0.824 39.774 39.000 -0.083 0.000 1.053 239 F HN -0.121 nan 8.300 nan 0.000 0.578 240 V N 0.920 120.958 119.914 0.206 0.000 2.531 240 V HA 0.281 4.367 4.120 -0.055 0.000 0.301 240 V C -0.243 176.040 176.094 0.316 0.000 1.034 240 V CA -0.690 61.797 62.300 0.312 0.000 0.865 240 V CB 1.966 33.933 31.823 0.240 0.000 0.995 240 V HN 0.026 nan 8.190 nan 0.000 0.424 241 D N 2.139 122.762 120.400 0.373 0.000 2.323 241 D HA 0.117 4.724 4.640 -0.055 0.000 0.218 241 D C 0.232 176.704 176.300 0.286 0.000 0.973 241 D CA 1.123 55.304 54.000 0.301 0.000 0.890 241 D CB 1.264 42.244 40.800 0.299 0.000 1.011 241 D HN 0.344 nan 8.370 nan 0.000 0.499 242 V N 2.452 122.566 119.914 0.334 0.000 2.444 242 V HA 0.303 4.389 4.120 -0.055 0.000 0.294 242 V C -0.155 176.154 176.094 0.359 0.000 1.022 242 V CA -0.678 61.804 62.300 0.302 0.000 0.850 242 V CB 2.123 34.125 31.823 0.298 0.000 0.992 242 V HN -0.038 nan 8.190 nan 0.000 0.426 243 L N 4.708 126.126 121.223 0.325 0.000 2.276 243 L HA 0.787 5.094 4.340 -0.055 0.000 0.286 243 L C 0.892 177.918 176.870 0.260 0.000 1.061 243 L CA 0.121 55.204 54.840 0.406 0.000 0.807 243 L CB 1.017 43.319 42.059 0.405 0.000 1.177 243 L HN 0.763 nan 8.230 nan 0.000 0.429 244 G N 2.783 111.726 108.800 0.238 0.000 2.932 244 G HA2 0.787 4.713 3.960 -0.055 0.000 0.283 244 G HA3 0.787 4.713 3.960 -0.055 0.000 0.283 244 G C -1.740 173.272 174.900 0.186 0.000 1.336 244 G CA -0.524 44.675 45.100 0.164 0.000 1.056 244 G HN 0.390 nan 8.290 nan 0.000 0.522 245 L N -0.465 120.897 121.223 0.231 0.000 2.565 245 L HA 0.538 4.845 4.340 -0.055 0.000 0.261 245 L C -2.122 175.003 176.870 0.424 0.000 0.932 245 L CA -0.564 54.454 54.840 0.297 0.000 0.878 245 L CB 2.581 44.724 42.059 0.140 0.000 1.333 245 L HN 0.387 nan 8.230 nan 0.000 0.409 246 D N 2.945 123.589 120.400 0.406 0.000 2.462 246 D HA 0.680 5.286 4.640 -0.055 0.000 0.245 246 D C -1.102 175.438 176.300 0.400 0.000 1.122 246 D CA 0.050 54.288 54.000 0.397 0.000 0.864 246 D CB 2.009 43.043 40.800 0.389 0.000 1.098 246 D HN 0.457 nan 8.370 nan 0.000 0.541 247 T N 2.066 116.864 114.554 0.407 0.000 2.937 247 T HA 0.381 4.698 4.350 -0.055 0.000 0.297 247 T C -1.029 173.796 174.700 0.209 0.000 0.991 247 T CA -0.520 61.828 62.100 0.415 0.000 0.990 247 T CB 0.565 69.767 68.868 0.557 0.000 0.991 247 T HN 0.069 nan 8.240 nan 0.000 0.440 248 Y N 1.553 121.990 120.300 0.228 0.000 2.468 248 Y HA 0.668 5.184 4.550 -0.056 0.000 0.342 248 Y C 0.156 176.035 175.900 -0.035 0.000 1.021 248 Y CA -0.980 57.181 58.100 0.101 0.000 1.079 248 Y CB 1.912 40.354 38.460 -0.030 0.000 1.226 248 Y HN 0.682 nan 8.280 nan 0.000 0.460 249 D N -0.836 119.536 120.400 -0.045 0.000 2.661 249 D HA 0.463 5.070 4.640 -0.055 0.000 0.228 249 D C -0.598 175.488 176.300 -0.356 0.000 1.210 249 D CA -0.543 53.253 54.000 -0.340 0.000 0.826 249 D CB 1.633 41.740 40.800 -1.156 0.000 1.542 249 D HN 0.368 nan 8.370 nan 0.000 0.447 250 S N 0.158 115.686 115.700 -0.286 0.000 2.780 250 S HA 0.101 4.538 4.470 -0.055 0.000 0.248 250 S C 1.318 175.837 174.600 -0.135 0.000 1.036 250 S CA 0.410 58.437 58.200 -0.288 0.000 1.061 250 S CB -0.020 63.024 63.200 -0.261 0.000 1.037 250 S HN 0.560 nan 8.310 nan 0.000 0.584 251 T N -1.364 113.148 114.554 -0.070 0.000 2.976 251 T HA 0.378 4.695 4.350 -0.055 0.000 0.257 251 T C 1.899 176.672 174.700 0.122 0.000 1.051 251 T CA 1.126 63.235 62.100 0.016 0.000 1.141 251 T CB -0.966 67.917 68.868 0.025 0.000 0.881 251 T HN 1.304 nan 8.240 nan 0.000 0.461 252 G N 1.860 110.800 108.800 0.233 0.000 2.168 252 G HA2 -0.284 3.643 3.960 -0.055 0.000 0.257 252 G HA3 -0.284 3.643 3.960 -0.055 0.000 0.257 252 G C 0.283 175.311 174.900 0.214 0.000 0.997 252 G CA 0.663 45.939 45.100 0.293 0.000 0.708 252 G HN 1.366 nan 8.290 nan 0.000 0.520 253 S N -0.686 115.147 115.700 0.221 0.000 2.603 253 S HA 0.453 4.890 4.470 -0.055 0.000 0.268 253 S C 1.117 175.812 174.600 0.158 0.000 1.317 253 S CA 0.288 58.585 58.200 0.162 0.000 1.012 253 S CB 1.433 64.715 63.200 0.137 0.000 0.926 253 S HN 0.069 nan 8.310 nan 0.000 0.539 254 D N 1.628 122.079 120.400 0.084 0.000 2.123 254 D HA -0.069 4.537 4.640 -0.055 0.000 0.196 254 D C 2.234 178.553 176.300 0.030 0.000 0.992 254 D CA 1.813 55.836 54.000 0.039 0.000 0.833 254 D CB -0.914 39.898 40.800 0.019 0.000 0.954 254 D HN 0.719 nan 8.370 nan 0.000 0.455 255 A N 0.666 123.523 122.820 0.061 0.000 1.883 255 A HA -0.203 4.084 4.320 -0.055 0.000 0.217 255 A C 2.125 179.755 177.584 0.078 0.000 1.186 255 A CA 1.343 53.415 52.037 0.058 0.000 0.624 255 A CB -1.047 17.996 19.000 0.072 0.000 0.822 255 A HN 0.282 nan 8.150 nan 0.000 0.444 256 F N 0.729 120.693 119.950 0.022 0.000 2.069 256 F HA -0.152 4.341 4.527 -0.056 0.000 0.298 256 F C 1.852 177.659 175.800 0.012 0.000 1.113 256 F CA 1.856 59.878 58.000 0.037 0.000 1.214 256 F CB -0.537 38.511 39.000 0.080 0.000 0.978 256 F HN 0.136 nan 8.300 nan 0.000 0.474 257 L N 0.129 121.105 121.223 -0.411 0.000 2.083 257 L HA -0.182 4.125 4.340 -0.055 0.000 0.209 257 L C 2.811 179.458 176.870 -0.373 0.000 1.083 257 L CA 1.130 55.658 54.840 -0.519 0.000 0.752 257 L CB -1.246 40.682 42.059 -0.218 0.000 0.899 257 L HN 0.309 nan 8.230 nan 0.000 0.433 258 A N 0.319 123.006 122.820 -0.222 0.000 1.873 258 A HA -0.094 4.192 4.320 -0.055 0.000 0.215 258 A C 2.429 179.910 177.584 -0.172 0.000 1.186 258 A CA 1.631 53.573 52.037 -0.159 0.000 0.616 258 A CB -1.236 17.711 19.000 -0.088 0.000 0.823 258 A HN 0.419 nan 8.150 nan 0.000 0.442 259 G N -0.260 108.437 108.800 -0.171 0.000 2.422 259 G HA2 -0.128 3.799 3.960 -0.055 0.000 0.218 259 G HA3 -0.128 3.799 3.960 -0.055 0.000 0.218 259 G C 1.491 176.272 174.900 -0.197 0.000 1.146 259 G CA 1.229 46.250 45.100 -0.131 0.000 0.769 259 G HN 0.469 nan 8.290 nan 0.000 0.547 260 L N 0.833 121.828 121.223 -0.380 0.000 2.005 260 L HA 0.018 4.324 4.340 -0.055 0.000 0.207 260 L C 2.929 179.599 176.870 -0.333 0.000 1.072 260 L CA 1.457 56.049 54.840 -0.412 0.000 0.744 260 L CB -0.686 40.953 42.059 -0.701 0.000 0.895 260 L HN 0.070 nan 8.230 nan 0.000 0.433 261 V N 0.375 120.107 119.914 -0.304 0.000 2.324 261 V HA -0.346 3.741 4.120 -0.055 0.000 0.250 261 V C 2.834 178.814 176.094 -0.190 0.000 1.060 261 V CA 1.728 63.888 62.300 -0.232 0.000 1.042 261 V CB -1.462 30.246 31.823 -0.192 0.000 0.650 261 V HN 0.643 nan 8.190 nan 0.000 0.450 262 A N -0.230 122.492 122.820 -0.163 0.000 1.883 262 A HA -0.276 4.011 4.320 -0.055 0.000 0.217 262 A C 2.020 179.521 177.584 -0.137 0.000 1.186 262 A CA 2.204 54.166 52.037 -0.124 0.000 0.624 262 A CB -0.645 18.302 19.000 -0.087 0.000 0.822 262 A HN 0.536 nan 8.150 nan 0.000 0.444 263 D N -0.215 120.098 120.400 -0.146 0.000 2.117 263 D HA -0.062 4.544 4.640 -0.055 0.000 0.198 263 D C 1.946 178.095 176.300 -0.251 0.000 0.982 263 D CA 0.872 54.775 54.000 -0.162 0.000 0.828 263 D CB -0.268 40.485 40.800 -0.078 0.000 0.967 263 D HN 0.437 nan 8.370 nan 0.000 0.464 264 L N 0.772 121.827 121.223 -0.280 0.000 2.093 264 L HA -0.101 4.206 4.340 -0.055 0.000 0.208 264 L C 2.522 179.265 176.870 -0.211 0.000 1.085 264 L CA 0.963 55.627 54.840 -0.294 0.000 0.755 264 L CB -0.263 41.587 42.059 -0.349 0.000 0.904 264 L HN 0.078 nan 8.230 nan 0.000 0.435 265 R N -0.081 120.311 120.500 -0.181 0.000 2.090 265 R HA -0.166 4.141 4.340 -0.055 0.000 0.228 265 R C 2.215 178.426 176.300 -0.149 0.000 1.110 265 R CA 1.229 57.245 56.100 -0.141 0.000 0.973 265 R CB -0.679 29.552 30.300 -0.115 0.000 0.869 265 R HN 0.317 nan 8.270 nan 0.000 0.440 266 M N 2.452 121.943 119.600 -0.182 0.000 2.073 266 M HA -0.173 4.274 4.480 -0.055 0.000 0.258 266 M C 2.445 178.590 176.300 -0.259 0.000 1.070 266 M CA 2.108 57.279 55.300 -0.216 0.000 1.103 266 M CB -0.222 32.220 32.600 -0.264 0.000 1.321 266 M HN 0.347 nan 8.290 nan 0.000 0.405 267 I N -1.432 118.944 120.570 -0.324 0.000 2.394 267 I HA -0.059 4.077 4.170 -0.055 0.000 0.251 267 I C 2.347 178.387 176.117 -0.128 0.000 1.136 267 I CA 1.381 62.514 61.300 -0.278 0.000 1.425 267 I CB -0.980 36.850 38.000 -0.284 0.000 1.079 267 I HN 0.281 nan 8.210 nan 0.000 0.425 268 A N 1.399 124.147 122.820 -0.120 0.000 1.898 268 A HA -0.179 4.108 4.320 -0.055 0.000 0.216 268 A C 2.217 179.766 177.584 -0.058 0.000 1.181 268 A CA 1.875 53.868 52.037 -0.073 0.000 0.620 268 A CB -0.673 18.284 19.000 -0.073 0.000 0.819 268 A HN 0.602 nan 8.150 nan 0.000 0.442 269 E N -0.181 119.974 120.200 -0.075 0.000 2.031 269 E HA -0.149 4.168 4.350 -0.055 0.000 0.193 269 E C 1.888 178.459 176.600 -0.048 0.000 0.994 269 E CA 1.350 57.715 56.400 -0.059 0.000 0.800 269 E CB -0.325 29.335 29.700 -0.067 0.000 0.752 269 E HN 0.682 nan 8.360 nan 0.000 0.447 270 I N 1.206 121.739 120.570 -0.062 0.000 2.151 270 I HA -0.325 3.812 4.170 -0.055 0.000 0.243 270 I C 2.537 178.644 176.117 -0.018 0.000 1.080 270 I CA 1.180 62.451 61.300 -0.047 0.000 1.339 270 I CB -0.383 37.585 38.000 -0.053 0.000 1.039 270 I HN 0.114 nan 8.210 nan 0.000 0.409 271 A N 0.337 123.156 122.820 -0.001 0.000 1.898 271 A HA -0.223 4.063 4.320 -0.055 0.000 0.216 271 A C 1.978 179.575 177.584 0.022 0.000 1.181 271 A CA 1.969 54.024 52.037 0.030 0.000 0.620 271 A CB -0.559 18.464 19.000 0.039 0.000 0.819 271 A HN 0.344 nan 8.150 nan 0.000 0.442 272 D N -0.099 120.303 120.400 0.003 0.000 2.097 272 D HA -0.142 4.464 4.640 -0.055 0.000 0.195 272 D C 1.933 178.236 176.300 0.005 0.000 0.989 272 D CA 1.585 55.586 54.000 0.003 0.000 0.827 272 D CB -0.428 40.366 40.800 -0.009 0.000 0.966 272 D HN 0.660 nan 8.370 nan 0.000 0.456 273 E N 0.456 120.655 120.200 -0.001 0.000 2.085 273 E HA -0.143 4.173 4.350 -0.055 0.000 0.194 273 E C 1.788 178.396 176.600 0.013 0.000 0.994 273 E CA 0.900 57.301 56.400 0.001 0.000 0.801 273 E CB 0.016 29.711 29.700 -0.009 0.000 0.743 273 E HN 0.240 nan 8.360 nan 0.000 0.453 274 K N -0.628 119.784 120.400 0.021 0.000 2.426 274 K HA 0.080 4.367 4.320 -0.055 0.000 0.193 274 K C 0.887 177.517 176.600 0.050 0.000 1.028 274 K CA 0.451 56.763 56.287 0.041 0.000 1.047 274 K CB 0.655 33.189 32.500 0.057 0.000 0.821 274 K HN 0.228 nan 8.250 nan 0.000 0.513 275 G N 2.384 111.209 108.800 0.042 0.000 2.198 275 G HA2 -0.300 3.627 3.960 -0.055 0.000 0.260 275 G HA3 -0.300 3.627 3.960 -0.055 0.000 0.260 275 G C -0.229 174.709 174.900 0.063 0.000 1.025 275 G CA 0.521 45.648 45.100 0.045 0.000 0.769 275 G HN 0.264 nan 8.290 nan 0.000 0.507 276 K N -1.366 119.079 120.400 0.074 0.000 2.354 276 K HA 0.755 5.041 4.320 -0.055 0.000 0.238 276 K C 0.106 176.761 176.600 0.091 0.000 1.068 276 K CA -0.977 55.371 56.287 0.102 0.000 0.925 276 K CB 1.853 34.436 32.500 0.139 0.000 1.286 276 K HN 0.017 nan 8.250 nan 0.000 0.500 277 V N 1.327 121.310 119.914 0.116 0.000 2.532 277 V HA 0.282 4.369 4.120 -0.055 0.000 0.295 277 V C -0.281 175.872 176.094 0.098 0.000 1.041 277 V CA -0.496 61.864 62.300 0.099 0.000 0.926 277 V CB 1.513 33.413 31.823 0.128 0.000 0.992 277 V HN 0.929 nan 8.190 nan 0.000 0.457 278 S N 2.879 118.607 115.700 0.046 0.000 2.568 278 S HA 0.968 5.405 4.470 -0.055 0.000 0.302 278 S C -0.577 173.985 174.600 -0.064 0.000 1.082 278 S CA -0.324 57.888 58.200 0.019 0.000 1.009 278 S CB 2.173 65.370 63.200 -0.004 0.000 1.069 278 S HN 1.474 nan 8.310 nan 0.000 0.500 279 A N 1.343 124.092 122.820 -0.118 0.000 2.594 279 A HA 0.677 4.964 4.320 -0.055 0.000 0.295 279 A C -1.326 176.198 177.584 -0.099 0.000 1.071 279 A CA -0.637 51.212 52.037 -0.313 0.000 0.685 279 A CB 1.040 19.448 19.000 -0.988 0.000 1.285 279 A HN 0.910 nan 8.150 nan 0.000 0.405 280 F N 3.424 123.241 119.950 -0.221 0.000 2.605 280 F HA 0.248 4.741 4.527 -0.056 0.000 0.352 280 F C 1.849 177.676 175.800 0.046 0.000 1.236 280 F CA -0.104 57.872 58.000 -0.041 0.000 1.267 280 F CB -0.297 38.695 39.000 -0.013 0.000 1.632 280 F HN 0.683 nan 8.300 nan 0.000 0.639 281 T N -0.247 114.491 114.554 0.306 0.000 2.833 281 T HA -0.077 4.239 4.350 -0.055 0.000 0.269 281 T C 0.496 175.368 174.700 0.288 0.000 1.054 281 T CA 0.990 63.257 62.100 0.279 0.000 1.135 281 T CB -0.005 69.016 68.868 0.255 0.000 0.869 281 T HN 0.488 nan 8.240 nan 0.000 0.466 282 E N 0.310 120.656 120.200 0.243 0.000 2.290 282 E HA 0.567 4.884 4.350 -0.055 0.000 0.274 282 E C -1.533 174.932 176.600 -0.225 0.000 0.889 282 E CA -1.024 55.419 56.400 0.072 0.000 0.760 282 E CB 2.239 32.016 29.700 0.128 0.000 1.206 282 E HN 0.460 nan 8.360 nan 0.000 0.419 283 F N 0.213 119.762 119.950 -0.667 0.000 2.626 283 F HA 0.915 5.409 4.527 -0.056 0.000 0.311 283 F C -0.362 175.118 175.800 -0.534 0.000 1.088 283 F CA -0.563 56.952 58.000 -0.809 0.000 0.949 283 F CB 1.854 40.144 39.000 -1.182 0.000 1.322 283 F HN 0.544 nan 8.300 nan 0.000 0.461 284 G N 0.641 109.145 108.800 -0.495 0.000 2.316 284 G HA2 0.436 4.363 3.960 -0.055 0.000 0.296 284 G HA3 0.436 4.363 3.960 -0.055 0.000 0.296 284 G C -2.233 172.433 174.900 -0.391 0.000 1.399 284 G CA -0.598 44.325 45.100 -0.296 0.000 0.833 284 G HN 0.851 nan 8.290 nan 0.000 0.565 285 V N 1.179 120.657 119.914 -0.727 0.000 2.572 285 V HA 0.361 4.447 4.120 -0.055 0.000 0.291 285 V C 0.994 176.939 176.094 -0.250 0.000 1.039 285 V CA -0.208 61.560 62.300 -0.887 0.000 1.055 285 V CB 1.225 32.456 31.823 -0.986 0.000 0.969 285 V HN 0.769 nan 8.190 nan 0.000 0.482 286 S N 3.878 119.447 115.700 -0.219 0.000 2.546 286 S HA 0.350 4.787 4.470 -0.055 0.000 0.290 286 S C 1.386 175.840 174.600 -0.245 0.000 1.290 286 S CA 0.445 58.560 58.200 -0.142 0.000 1.069 286 S CB 0.493 63.594 63.200 -0.166 0.000 0.846 286 S HN 1.562 nan 8.310 nan 0.000 0.495 287 G N 2.251 110.912 108.800 -0.232 0.000 2.184 287 G HA2 -0.005 3.922 3.960 -0.055 0.000 0.264 287 G HA3 -0.005 3.922 3.960 -0.055 0.000 0.264 287 G C 0.833 175.376 174.900 -0.595 0.000 0.975 287 G CA 0.278 45.194 45.100 -0.306 0.000 0.642 287 G HN 1.905 nan 8.290 nan 0.000 0.536 288 G N -2.122 106.144 108.800 -0.890 0.000 2.681 288 G HA2 0.129 4.055 3.960 -0.055 0.000 0.220 288 G HA3 0.129 4.055 3.960 -0.055 0.000 0.220 288 G C 0.895 175.343 174.900 -0.754 0.000 1.353 288 G CA 1.740 46.026 45.100 -1.355 0.000 0.872 288 G HN 1.898 nan 8.290 nan 0.000 0.557 289 V N -1.642 117.841 119.914 -0.717 0.000 3.427 289 V HA 0.689 4.776 4.120 -0.055 0.000 0.305 289 V C 1.350 177.138 176.094 -0.509 0.000 1.412 289 V CA 1.359 63.372 62.300 -0.480 0.000 1.086 289 V CB -0.066 31.600 31.823 -0.262 0.000 0.964 289 V HN 1.937 nan 8.190 nan 0.000 0.439 290 G N 1.206 109.574 108.800 -0.719 0.000 2.531 290 G HA2 0.348 4.275 3.960 -0.055 0.000 0.281 290 G HA3 0.348 4.275 3.960 -0.055 0.000 0.281 290 G C 1.097 175.860 174.900 -0.227 0.000 1.382 290 G CA 0.535 45.326 45.100 -0.516 0.000 1.045 290 G HN 0.481 nan 8.290 nan 0.000 0.533 291 T N -1.740 112.756 114.554 -0.095 0.000 2.849 291 T HA -0.138 4.179 4.350 -0.055 0.000 0.270 291 T C 1.422 176.063 174.700 -0.097 0.000 1.066 291 T CA 1.552 63.610 62.100 -0.069 0.000 1.130 291 T CB -0.132 68.723 68.868 -0.022 0.000 0.864 291 T HN 0.283 nan 8.240 nan 0.000 0.481 292 N N 1.544 120.169 118.700 -0.124 0.000 2.322 292 N HA 0.308 5.015 4.740 -0.055 0.000 0.194 292 N C 0.886 176.284 175.510 -0.187 0.000 1.126 292 N CA 0.361 53.332 53.050 -0.132 0.000 0.845 292 N CB 0.538 38.961 38.487 -0.107 0.000 0.976 292 N HN 0.673 nan 8.380 nan 0.000 0.475 293 G N -0.938 107.719 108.800 -0.239 0.000 3.099 293 G HA2 0.609 4.536 3.960 -0.055 0.000 0.151 293 G HA3 0.609 4.536 3.960 -0.055 0.000 0.151 293 G C -0.649 174.106 174.900 -0.242 0.000 1.265 293 G CA -0.198 44.727 45.100 -0.292 0.000 0.981 293 G HN 0.111 nan 8.290 nan 0.000 0.601 294 S N -1.498 114.036 115.700 -0.278 0.000 2.627 294 S HA 0.611 5.048 4.470 -0.055 0.000 0.283 294 S C -0.737 173.730 174.600 -0.222 0.000 1.127 294 S CA -0.499 57.566 58.200 -0.223 0.000 0.863 294 S CB 2.031 65.094 63.200 -0.229 0.000 1.121 294 S HN 0.390 nan 8.310 nan 0.000 0.479 295 S N 2.915 118.528 115.700 -0.145 0.000 2.078 295 S HA 0.314 4.751 4.470 -0.055 0.000 0.168 295 S C -2.547 172.023 174.600 -0.050 0.000 1.542 295 S CA -0.938 57.206 58.200 -0.094 0.000 1.223 295 S CB -0.036 63.139 63.200 -0.041 0.000 1.152 295 S HN 0.493 nan 8.310 nan 0.000 0.452 296 P HA 0.165 nan 4.420 nan 0.000 0.267 296 P C -0.101 177.272 177.300 0.121 0.000 1.209 296 P CA -0.051 63.069 63.100 0.032 0.000 0.763 296 P CB 0.352 32.093 31.700 0.069 0.000 0.816 297 A N 4.187 127.071 122.820 0.108 0.000 2.567 297 A HA -0.073 4.213 4.320 -0.055 0.000 0.240 297 A C 0.952 178.632 177.584 0.159 0.000 1.053 297 A CA 0.201 52.307 52.037 0.116 0.000 0.755 297 A CB -0.698 18.352 19.000 0.084 0.000 0.978 297 A HN 0.695 nan 8.150 nan 0.000 0.507 298 Q N 0.464 120.370 119.800 0.176 0.000 2.435 298 Q HA -0.284 4.023 4.340 -0.055 0.000 0.286 298 Q C 0.473 176.606 176.000 0.223 0.000 1.229 298 Q CA 1.202 57.123 55.803 0.197 0.000 0.884 298 Q CB -1.754 27.064 28.738 0.134 0.000 1.245 298 Q HN 0.973 nan 8.270 nan 0.000 0.488 299 W N -0.118 121.205 121.300 0.038 0.000 2.335 299 W HA -0.201 4.425 4.660 -0.056 0.000 0.311 299 W C 1.412 177.913 176.519 -0.030 0.000 1.213 299 W CA 2.066 59.374 57.345 -0.061 0.000 1.274 299 W CB -0.323 28.989 29.460 -0.247 0.000 1.148 299 W HN 0.370 nan 8.180 nan 0.000 0.498 300 F N 0.314 120.509 119.950 0.407 0.000 2.102 300 F HA -0.223 4.270 4.527 -0.056 0.000 0.298 300 F C 2.793 178.684 175.800 0.152 0.000 1.105 300 F CA 2.349 60.489 58.000 0.233 0.000 1.239 300 F CB -1.430 37.698 39.000 0.213 0.000 0.991 300 F HN -0.120 nan 8.300 nan 0.000 0.474 301 T N -2.278 112.491 114.554 0.359 0.000 2.904 301 T HA -0.096 4.221 4.350 -0.055 0.000 0.267 301 T C 1.835 176.600 174.700 0.109 0.000 1.059 301 T CA 0.949 63.199 62.100 0.250 0.000 1.137 301 T CB -0.327 68.659 68.868 0.197 0.000 0.879 301 T HN 0.172 nan 8.240 nan 0.000 0.467 302 K N 0.713 121.133 120.400 0.034 0.000 2.057 302 K HA 0.034 4.321 4.320 -0.055 0.000 0.206 302 K C 2.347 178.878 176.600 -0.115 0.000 1.050 302 K CA 1.086 57.343 56.287 -0.049 0.000 0.935 302 K CB -0.461 31.995 32.500 -0.073 0.000 0.715 302 K HN 0.164 nan 8.250 nan 0.000 0.439 303 V N 1.444 121.224 119.914 -0.223 0.000 2.295 303 V HA -0.236 3.851 4.120 -0.055 0.000 0.246 303 V C 2.150 178.215 176.094 -0.049 0.000 1.049 303 V CA 1.489 63.653 62.300 -0.227 0.000 1.024 303 V CB -0.356 31.206 31.823 -0.435 0.000 0.648 303 V HN 0.261 nan 8.190 nan 0.000 0.447 304 L N 0.786 122.057 121.223 0.080 0.000 2.017 304 L HA -0.077 4.230 4.340 -0.055 0.000 0.208 304 L C 2.473 179.347 176.870 0.007 0.000 1.073 304 L CA 2.358 57.282 54.840 0.140 0.000 0.745 304 L CB -0.965 41.273 42.059 0.298 0.000 0.894 304 L HN 0.228 nan 8.230 nan 0.000 0.432 305 A N -0.480 122.336 122.820 -0.007 0.000 1.908 305 A HA -0.173 4.113 4.320 -0.055 0.000 0.218 305 A C 2.446 179.975 177.584 -0.092 0.000 1.181 305 A CA 1.992 53.996 52.037 -0.056 0.000 0.627 305 A CB -1.203 17.777 19.000 -0.033 0.000 0.818 305 A HN 0.587 nan 8.150 nan 0.000 0.445 306 A N -0.268 122.496 122.820 -0.094 0.000 1.930 306 A HA -0.046 4.241 4.320 -0.055 0.000 0.217 306 A C 2.122 179.625 177.584 -0.135 0.000 1.175 306 A CA 1.474 53.439 52.037 -0.120 0.000 0.627 306 A CB -0.549 18.363 19.000 -0.147 0.000 0.815 306 A HN 0.509 nan 8.150 nan 0.000 0.443 307 I N -0.459 120.038 120.570 -0.120 0.000 2.202 307 I HA -0.253 3.883 4.170 -0.055 0.000 0.242 307 I C 2.424 178.419 176.117 -0.203 0.000 1.091 307 I CA 1.481 62.708 61.300 -0.122 0.000 1.368 307 I CB -0.263 37.720 38.000 -0.029 0.000 1.058 307 I HN 0.265 nan 8.210 nan 0.000 0.410 308 K N 0.969 121.200 120.400 -0.283 0.000 2.097 308 K HA -0.104 4.183 4.320 -0.055 0.000 0.206 308 K C 2.179 178.608 176.600 -0.284 0.000 1.049 308 K CA 1.443 57.460 56.287 -0.450 0.000 0.933 308 K CB -0.278 31.938 32.500 -0.473 0.000 0.717 308 K HN 0.297 nan 8.250 nan 0.000 0.442 309 A N 1.440 124.145 122.820 -0.191 0.000 2.125 309 A HA -0.130 4.156 4.320 -0.055 0.000 0.219 309 A C 0.816 178.323 177.584 -0.127 0.000 1.156 309 A CA 0.924 52.877 52.037 -0.140 0.000 0.671 309 A CB -0.112 18.822 19.000 -0.110 0.000 0.794 309 A HN 0.199 nan 8.150 nan 0.000 0.459 310 D N -0.894 119.423 120.400 -0.139 0.000 2.303 310 D HA 0.263 4.869 4.640 -0.055 0.000 0.236 310 D C -1.995 174.239 176.300 -0.110 0.000 1.068 310 D CA -1.779 52.152 54.000 -0.115 0.000 0.830 310 D CB 1.834 42.564 40.800 -0.115 0.000 1.109 310 D HN 0.030 nan 8.370 nan 0.000 0.496 311 P HA -0.060 nan 4.420 nan 0.000 0.229 311 P C 1.279 178.548 177.300 -0.051 0.000 1.160 311 P CA 0.353 63.412 63.100 -0.067 0.000 0.777 311 P CB 0.804 32.471 31.700 -0.054 0.000 0.814 312 V N 0.464 120.342 119.914 -0.061 0.000 2.581 312 V HA 0.058 4.144 4.120 -0.055 0.000 0.240 312 V C 2.791 178.845 176.094 -0.066 0.000 1.054 312 V CA 1.477 63.743 62.300 -0.057 0.000 1.076 312 V CB -1.547 30.239 31.823 -0.063 0.000 0.748 312 V HN 0.024 nan 8.190 nan 0.000 0.474 313 A N 1.296 124.063 122.820 -0.088 0.000 1.978 313 A HA -0.197 4.090 4.320 -0.055 0.000 0.220 313 A C 2.346 179.892 177.584 -0.063 0.000 1.170 313 A CA 2.191 54.164 52.037 -0.107 0.000 0.636 313 A CB -0.650 18.268 19.000 -0.137 0.000 0.810 313 A HN 0.677 nan 8.150 nan 0.000 0.448 314 S N -0.689 114.990 115.700 -0.035 0.000 2.561 314 S HA 0.038 4.475 4.470 -0.055 0.000 0.225 314 S C 1.049 175.735 174.600 0.143 0.000 0.977 314 S CA -0.010 58.231 58.200 0.069 0.000 0.926 314 S CB -0.217 62.960 63.200 -0.040 0.000 0.769 314 S HN 0.550 nan 8.310 nan 0.000 0.533 315 R N 2.567 123.094 120.500 0.046 0.000 4.792 315 R HA 0.312 4.619 4.340 -0.055 0.000 0.205 315 R C -0.696 175.608 176.300 0.008 0.000 1.875 315 R CA -0.042 56.076 56.100 0.031 0.000 1.588 315 R CB -0.389 29.912 30.300 0.001 0.000 1.401 315 R HN 0.345 nan 8.270 nan 0.000 0.834 316 N N -0.425 118.292 118.700 0.028 0.000 2.295 316 N HA 0.180 4.887 4.740 -0.055 0.000 0.293 316 N C 0.079 175.587 175.510 -0.004 0.000 1.040 316 N CA -0.191 52.856 53.050 -0.005 0.000 0.840 316 N CB 2.115 40.595 38.487 -0.012 0.000 1.468 316 N HN 0.139 nan 8.380 nan 0.000 0.478 317 A N 1.947 124.746 122.820 -0.036 0.000 1.897 317 A HA -0.005 4.282 4.320 -0.055 0.000 0.215 317 A C 0.119 177.788 177.584 0.141 0.000 1.181 317 A CA 1.405 53.459 52.037 0.028 0.000 0.620 317 A CB -0.310 18.753 19.000 0.104 0.000 0.821 317 A HN 0.744 nan 8.150 nan 0.000 0.443 318 Y N -3.100 117.252 120.300 0.086 0.000 2.625 318 Y HA 0.700 5.217 4.550 -0.055 0.000 0.338 318 Y C -0.895 175.098 175.900 0.156 0.000 1.123 318 Y CA -1.974 56.183 58.100 0.096 0.000 1.046 318 Y CB 0.984 39.495 38.460 0.085 0.000 1.299 318 Y HN 0.186 nan 8.280 nan 0.000 0.464 319 M N 1.084 120.880 119.600 0.327 0.000 2.224 319 M HA 0.568 5.015 4.480 -0.055 0.000 0.281 319 M C -1.867 174.689 176.300 0.425 0.000 1.025 319 M CA -0.602 54.843 55.300 0.243 0.000 0.954 319 M CB 2.627 35.159 32.600 -0.114 0.000 1.639 319 M HN 0.868 nan 8.290 nan 0.000 0.461 320 E N 2.292 122.750 120.200 0.431 0.000 2.171 320 E HA 0.493 4.809 4.350 -0.055 0.000 0.271 320 E C -1.310 175.342 176.600 0.085 0.000 0.916 320 E CA -0.288 56.238 56.400 0.209 0.000 0.774 320 E CB 2.213 32.007 29.700 0.156 0.000 1.128 320 E HN 0.806 nan 8.360 nan 0.000 0.403 321 T N 3.143 117.605 114.554 -0.154 0.000 2.923 321 T HA 0.263 4.580 4.350 -0.055 0.000 0.281 321 T C -0.745 173.993 174.700 0.063 0.000 0.995 321 T CA -0.566 61.372 62.100 -0.270 0.000 0.985 321 T CB 0.586 69.188 68.868 -0.444 0.000 1.114 321 T HN 0.511 nan 8.240 nan 0.000 0.548 322 W N 1.951 123.047 121.300 -0.340 0.000 2.181 322 W HA 0.430 5.056 4.660 -0.057 0.000 0.415 322 W C 0.633 177.065 176.519 -0.145 0.000 1.689 322 W CA -0.951 56.093 57.345 -0.502 0.000 1.859 322 W CB 0.813 29.551 29.460 -1.202 0.000 1.425 322 W HN 0.596 nan 8.180 nan 0.000 0.713 323 R N 2.689 122.830 120.500 -0.599 0.000 2.543 323 R HA 0.034 4.341 4.340 -0.055 0.000 0.277 323 R C -0.816 175.560 176.300 0.126 0.000 1.074 323 R CA 0.012 55.858 56.100 -0.423 0.000 1.076 323 R CB 0.320 30.148 30.300 -0.785 0.000 0.993 323 R HN 0.306 nan 8.270 nan 0.000 0.459 324 N N 3.202 122.011 118.700 0.183 0.000 2.968 324 N HA 0.123 4.830 4.740 -0.055 0.000 0.271 324 N C 0.360 175.984 175.510 0.190 0.000 1.174 324 N CA 0.158 53.378 53.050 0.283 0.000 1.096 324 N CB 1.357 40.020 38.487 0.293 0.000 1.403 324 N HN 0.678 nan 8.380 nan 0.000 0.522 325 A N 1.348 124.247 122.820 0.133 0.000 1.840 325 A HA 0.003 4.290 4.320 -0.055 0.000 0.214 325 A C 0.481 178.166 177.584 0.169 0.000 1.198 325 A CA 1.365 53.457 52.037 0.091 0.000 0.608 325 A CB -0.106 18.888 19.000 -0.009 0.000 0.839 325 A HN 0.596 nan 8.150 nan 0.000 0.443 326 D N -5.196 115.291 120.400 0.146 0.000 2.692 326 D HA 0.552 5.159 4.640 -0.055 0.000 0.303 326 D C 0.479 176.869 176.300 0.149 0.000 1.278 326 D CA -0.011 54.055 54.000 0.110 0.000 0.852 326 D CB 0.666 41.521 40.800 0.093 0.000 1.375 326 D HN 0.159 nan 8.370 nan 0.000 0.453 327 A N -0.100 122.774 122.820 0.090 0.000 1.940 327 A HA 0.068 4.355 4.320 -0.055 0.000 0.219 327 A C 2.019 179.720 177.584 0.196 0.000 1.176 327 A CA 2.427 54.544 52.037 0.133 0.000 0.631 327 A CB -1.649 17.384 19.000 0.055 0.000 0.814 327 A HN 0.653 nan 8.150 nan 0.000 0.446 328 G N -1.513 107.344 108.800 0.094 0.000 2.421 328 G HA2 -0.074 3.853 3.960 -0.055 0.000 0.216 328 G HA3 -0.074 3.853 3.960 -0.055 0.000 0.216 328 G C 0.986 175.863 174.900 -0.039 0.000 1.171 328 G CA 0.935 46.046 45.100 0.017 0.000 0.775 328 G HN 0.576 nan 8.290 nan 0.000 0.543 329 Q N 0.691 120.506 119.800 0.026 0.000 2.464 329 Q HA 0.308 4.615 4.340 -0.055 0.000 0.256 329 Q C -1.204 174.838 176.000 0.069 0.000 1.020 329 Q CA -0.703 55.072 55.803 -0.046 0.000 0.716 329 Q CB 0.503 29.261 28.738 0.034 0.000 1.230 329 Q HN 0.749 nan 8.270 nan 0.000 0.494 330 H N 1.050 120.018 119.070 -0.171 0.000 3.016 330 H HA 0.325 4.847 4.556 -0.056 0.000 0.362 330 H C -1.191 173.990 175.328 -0.246 0.000 1.233 330 H CA -0.759 55.270 56.048 -0.031 0.000 1.124 330 H CB 0.766 30.541 29.762 0.021 0.000 1.850 330 H HN 0.394 nan 8.280 nan 0.000 0.549 331 F N 0.061 120.075 119.950 0.106 0.000 2.711 331 F HA 0.213 4.707 4.527 -0.054 0.000 0.296 331 F C 0.817 176.598 175.800 -0.032 0.000 1.096 331 F CA 0.058 58.078 58.000 0.033 0.000 1.280 331 F CB 1.025 40.105 39.000 0.133 0.000 1.060 331 F HN 0.172 nan 8.300 nan 0.000 0.608 332 V N 3.585 123.514 119.914 0.026 0.000 2.406 332 V HA 0.280 4.367 4.120 -0.055 0.000 0.272 332 V C -2.163 173.807 176.094 -0.207 0.000 1.043 332 V CA -2.018 60.028 62.300 -0.424 0.000 0.915 332 V CB 0.772 32.183 31.823 -0.688 0.000 0.988 332 V HN -0.160 nan 8.190 nan 0.000 0.466 333 P HA 0.217 nan 4.420 nan 0.000 0.268 333 P C -0.550 176.722 177.300 -0.046 0.000 1.205 333 P CA 0.201 63.279 63.100 -0.036 0.000 0.771 333 P CB 0.800 32.498 31.700 -0.004 0.000 0.858 334 V N -0.010 119.916 119.914 0.019 0.000 3.126 334 V HA 0.711 4.798 4.120 -0.055 0.000 0.314 334 V C -2.792 173.305 176.094 0.006 0.000 1.138 334 V CA -3.407 58.876 62.300 -0.028 0.000 1.034 334 V CB 1.239 32.997 31.823 -0.107 0.000 1.075 334 V HN 0.207 nan 8.190 nan 0.000 0.442 335 P HA 0.333 nan 4.420 nan 0.000 0.262 335 P C 0.898 178.205 177.300 0.012 0.000 1.182 335 P CA 2.047 65.152 63.100 0.008 0.000 0.761 335 P CB 0.538 32.238 31.700 -0.000 0.000 0.795 336 G N 2.142 110.955 108.800 0.023 0.000 2.259 336 G HA2 -0.158 3.769 3.960 -0.055 0.000 0.217 336 G HA3 -0.158 3.769 3.960 -0.055 0.000 0.217 336 G C -0.266 174.657 174.900 0.038 0.000 1.001 336 G CA -0.425 44.690 45.100 0.025 0.000 0.627 336 G HN 0.509 nan 8.290 nan 0.000 0.501 337 D N 0.927 121.360 120.400 0.055 0.000 2.249 337 D HA 0.639 5.246 4.640 -0.055 0.000 0.246 337 D C 1.380 177.714 176.300 0.058 0.000 1.114 337 D CA 0.419 54.456 54.000 0.062 0.000 0.854 337 D CB 1.396 42.255 40.800 0.098 0.000 1.132 337 D HN 0.356 nan 8.370 nan 0.000 0.461 338 A N 2.910 125.757 122.820 0.045 0.000 1.978 338 A HA -0.142 4.145 4.320 -0.055 0.000 0.220 338 A C 1.905 179.544 177.584 0.093 0.000 1.170 338 A CA 1.041 53.111 52.037 0.055 0.000 0.636 338 A CB -0.366 18.656 19.000 0.036 0.000 0.810 338 A HN 0.626 nan 8.150 nan 0.000 0.448 339 L N -0.594 120.700 121.223 0.119 0.000 2.591 339 L HA 0.021 4.328 4.340 -0.055 0.000 0.228 339 L C 2.098 179.113 176.870 0.242 0.000 1.133 339 L CA -0.195 54.776 54.840 0.217 0.000 0.880 339 L CB -0.161 42.074 42.059 0.294 0.000 1.033 339 L HN 0.411 nan 8.230 nan 0.000 0.450 340 L N 0.596 121.913 121.223 0.156 0.000 1.971 340 L HA -0.288 4.019 4.340 -0.055 0.000 0.215 340 L C 2.435 179.402 176.870 0.162 0.000 1.072 340 L CA 2.148 57.073 54.840 0.141 0.000 0.758 340 L CB -0.512 41.599 42.059 0.087 0.000 0.889 340 L HN 0.339 nan 8.230 nan 0.000 0.433 341 E N -1.025 119.251 120.200 0.127 0.000 2.097 341 E HA -0.322 3.994 4.350 -0.055 0.000 0.196 341 E C 1.884 178.562 176.600 0.130 0.000 1.000 341 E CA 1.759 58.221 56.400 0.103 0.000 0.804 341 E CB -0.196 29.553 29.700 0.082 0.000 0.740 341 E HN 0.704 nan 8.360 nan 0.000 0.454 342 D N -0.913 119.604 120.400 0.196 0.000 2.117 342 D HA -0.170 4.436 4.640 -0.055 0.000 0.198 342 D C 1.712 178.183 176.300 0.286 0.000 0.982 342 D CA 0.985 55.140 54.000 0.257 0.000 0.828 342 D CB -0.219 40.785 40.800 0.341 0.000 0.967 342 D HN 0.239 nan 8.370 nan 0.000 0.464 343 F N 1.152 121.155 119.950 0.087 0.000 2.134 343 F HA -0.131 4.363 4.527 -0.056 0.000 0.299 343 F C 2.212 177.976 175.800 -0.060 0.000 1.097 343 F CA 1.450 59.322 58.000 -0.213 0.000 1.264 343 F CB -0.299 38.381 39.000 -0.533 0.000 1.001 343 F HN -0.011 nan 8.300 nan 0.000 0.479 344 Q N -0.040 119.733 119.800 -0.045 0.000 2.124 344 Q HA -0.180 4.127 4.340 -0.055 0.000 0.202 344 Q C 2.467 178.372 176.000 -0.159 0.000 0.977 344 Q CA 1.481 57.198 55.803 -0.144 0.000 0.850 344 Q CB -0.482 28.239 28.738 -0.029 0.000 0.901 344 Q HN 0.548 nan 8.270 nan 0.000 0.429 345 A N 0.309 123.101 122.820 -0.047 0.000 1.873 345 A HA -0.221 4.066 4.320 -0.055 0.000 0.215 345 A C 1.907 179.474 177.584 -0.028 0.000 1.186 345 A CA 1.350 53.376 52.037 -0.018 0.000 0.616 345 A CB -0.936 18.095 19.000 0.051 0.000 0.823 345 A HN 0.547 nan 8.150 nan 0.000 0.442 346 Y N 0.818 121.038 120.300 -0.135 0.000 2.165 346 Y HA -0.179 4.337 4.550 -0.056 0.000 0.286 346 Y C 2.525 178.287 175.900 -0.229 0.000 1.155 346 Y CA 1.619 59.639 58.100 -0.133 0.000 1.164 346 Y CB -0.473 37.930 38.460 -0.095 0.000 0.978 346 Y HN 0.293 nan 8.280 nan 0.000 0.513 347 A N 0.420 122.987 122.820 -0.421 0.000 1.969 347 A HA -0.008 4.279 4.320 -0.055 0.000 0.218 347 A C 2.299 179.609 177.584 -0.456 0.000 1.169 347 A CA 1.544 53.252 52.037 -0.549 0.000 0.635 347 A CB -1.326 17.165 19.000 -0.849 0.000 0.810 347 A HN 0.637 nan 8.150 nan 0.000 0.445 348 A N -0.729 121.899 122.820 -0.320 0.000 2.169 348 A HA 0.059 4.346 4.320 -0.055 0.000 0.212 348 A C 0.956 178.457 177.584 -0.139 0.000 1.153 348 A CA 0.348 52.254 52.037 -0.217 0.000 0.756 348 A CB -0.325 18.580 19.000 -0.158 0.000 0.813 348 A HN 0.478 nan 8.150 nan 0.000 0.471 349 D N 0.773 121.090 120.400 -0.138 0.000 2.493 349 D HA 0.028 4.635 4.640 -0.055 0.000 0.240 349 D C -1.391 174.890 176.300 -0.032 0.000 1.142 349 D CA -1.123 52.833 54.000 -0.073 0.000 0.872 349 D CB 1.131 41.884 40.800 -0.079 0.000 1.173 349 D HN 0.121 nan 8.370 nan 0.000 0.467 350 P HA -0.134 nan 4.420 nan 0.000 0.225 350 P C 1.310 178.662 177.300 0.086 0.000 1.148 350 P CA 0.531 63.655 63.100 0.039 0.000 0.779 350 P CB -0.017 31.710 31.700 0.045 0.000 0.780 351 F N 1.680 121.600 119.950 -0.050 0.000 2.367 351 F HA 0.003 4.497 4.527 -0.055 0.000 0.298 351 F C 0.939 176.715 175.800 -0.040 0.000 1.094 351 F CA 0.808 58.783 58.000 -0.041 0.000 1.409 351 F CB -0.578 38.392 39.000 -0.049 0.000 1.064 351 F HN -0.176 nan 8.300 nan 0.000 0.528 352 T N 1.278 115.801 114.554 -0.052 0.000 2.794 352 T HA 0.450 4.767 4.350 -0.055 0.000 0.296 352 T C -0.388 174.342 174.700 0.050 0.000 0.949 352 T CA -0.581 61.455 62.100 -0.107 0.000 1.101 352 T CB 0.810 69.509 68.868 -0.282 0.000 0.905 352 T HN 0.080 nan 8.240 nan 0.000 0.516 353 L N 3.444 124.675 121.223 0.015 0.000 2.307 353 L HA 0.615 4.922 4.340 -0.055 0.000 0.284 353 L C -0.499 176.453 176.870 0.136 0.000 1.023 353 L CA -0.967 53.946 54.840 0.123 0.000 0.810 353 L CB 0.990 43.078 42.059 0.048 0.000 1.231 353 L HN 0.574 nan 8.230 nan 0.000 0.423 354 F N -0.005 120.014 119.950 0.116 0.000 2.585 354 F HA 0.522 5.016 4.527 -0.055 0.000 0.350 354 F C 1.298 177.216 175.800 0.196 0.000 1.074 354 F CA -0.260 57.851 58.000 0.185 0.000 1.032 354 F CB 1.249 40.337 39.000 0.147 0.000 1.330 354 F HN 0.506 nan 8.300 nan 0.000 0.495 355 A N 0.221 123.304 122.820 0.438 0.000 1.903 355 A HA -0.247 4.040 4.320 -0.055 0.000 0.219 355 A C 2.195 179.937 177.584 0.262 0.000 1.191 355 A CA 2.740 54.992 52.037 0.359 0.000 0.638 355 A CB -1.521 17.759 19.000 0.468 0.000 0.823 355 A HN 0.744 nan 8.150 nan 0.000 0.451 356 S N -0.534 115.323 115.700 0.262 0.000 2.474 356 S HA -0.087 4.350 4.470 -0.055 0.000 0.235 356 S C 1.264 175.952 174.600 0.146 0.000 0.997 356 S CA 1.318 59.627 58.200 0.182 0.000 0.949 356 S CB -0.316 62.981 63.200 0.163 0.000 0.766 356 S HN 0.680 nan 8.310 nan 0.000 0.517 357 E N 0.542 120.843 120.200 0.168 0.000 2.474 357 E HA 0.198 4.514 4.350 -0.055 0.000 0.195 357 E C -0.679 176.003 176.600 0.136 0.000 1.039 357 E CA -0.172 56.311 56.400 0.139 0.000 0.881 357 E CB 0.693 30.481 29.700 0.146 0.000 0.970 357 E HN 0.325 nan 8.360 nan 0.000 0.486 358 V N 1.618 121.610 119.914 0.130 0.000 2.405 358 V HA 0.164 4.251 4.120 -0.055 0.000 0.264 358 V C 0.161 176.255 176.094 0.000 0.000 1.048 358 V CA 0.107 62.450 62.300 0.073 0.000 0.966 358 V CB 1.035 32.870 31.823 0.021 0.000 1.015 358 V HN 0.008 nan 8.190 nan 0.000 0.477 359 T N 3.196 117.748 114.554 -0.003 0.000 2.933 359 T HA 0.596 4.913 4.350 -0.055 0.000 0.305 359 T C 0.522 175.197 174.700 -0.042 0.000 1.092 359 T CA 0.511 62.602 62.100 -0.015 0.000 1.008 359 T CB 1.336 70.231 68.868 0.045 0.000 1.102 359 T HN 1.510 nan 8.240 nan 0.000 0.469 360 G N 2.225 110.982 108.800 -0.072 0.000 2.198 360 G HA2 -0.153 3.774 3.960 -0.055 0.000 0.260 360 G HA3 -0.153 3.774 3.960 -0.055 0.000 0.260 360 G C 0.932 175.718 174.900 -0.190 0.000 1.025 360 G CA 0.482 45.550 45.100 -0.053 0.000 0.769 360 G HN 1.309 nan 8.290 nan 0.000 0.507 361 A N -1.066 121.411 122.820 -0.571 0.000 1.935 361 A HA 0.551 4.838 4.320 -0.055 0.000 0.214 361 A C 1.659 178.772 177.584 -0.785 0.000 1.178 361 A CA 1.856 53.239 52.037 -1.090 0.000 0.640 361 A CB -0.099 17.799 19.000 -1.835 0.000 0.825 361 A HN 0.730 nan 8.150 nan 0.000 0.447 362 F N -0.235 119.642 119.950 -0.122 0.000 2.706 362 F HA 0.156 4.651 4.527 -0.054 0.000 0.313 362 F C 0.867 176.650 175.800 -0.029 0.000 1.096 362 F CA 0.050 58.013 58.000 -0.062 0.000 1.219 362 F CB 0.502 39.459 39.000 -0.072 0.000 1.051 362 F HN 0.333 nan 8.300 nan 0.000 0.568 363 D N -0.565 119.894 120.400 0.098 0.000 2.402 363 D HA 0.093 4.700 4.640 -0.055 0.000 0.216 363 D C 0.452 176.783 176.300 0.051 0.000 1.128 363 D CA -0.147 53.898 54.000 0.073 0.000 0.833 363 D CB -0.167 40.668 40.800 0.059 0.000 0.971 363 D HN 0.018 nan 8.370 nan 0.000 0.503 364 R N -0.301 120.228 120.500 0.048 0.000 2.641 364 R HA 0.474 4.781 4.340 -0.055 0.000 0.269 364 R C -0.118 176.210 176.300 0.046 0.000 1.074 364 R CA 0.098 56.226 56.100 0.046 0.000 1.133 364 R CB 0.668 30.999 30.300 0.051 0.000 1.029 364 R HN -0.088 nan 8.270 nan 0.000 0.488 365 T N 2.406 116.983 114.554 0.040 0.000 2.801 365 T HA 0.381 4.698 4.350 -0.055 0.000 0.306 365 T C -0.925 173.797 174.700 0.036 0.000 1.020 365 T CA -0.583 61.539 62.100 0.036 0.000 0.948 365 T CB 0.617 69.501 68.868 0.028 0.000 0.962 365 T HN 0.396 nan 8.240 nan 0.000 0.465 366 V N 1.438 121.376 119.914 0.040 0.000 2.841 366 V HA 0.989 5.076 4.120 -0.055 0.000 0.310 366 V C -0.667 175.450 176.094 0.038 0.000 1.090 366 V CA -1.149 61.175 62.300 0.040 0.000 0.930 366 V CB 1.649 33.501 31.823 0.048 0.000 1.014 366 V HN 0.888 nan 8.190 nan 0.000 0.425 367 A N 4.042 126.882 122.820 0.034 0.000 2.295 367 A HA 0.967 5.254 4.320 -0.055 0.000 0.318 367 A C 0.431 178.036 177.584 0.035 0.000 1.134 367 A CA -0.223 51.832 52.037 0.031 0.000 0.827 367 A CB 1.240 20.254 19.000 0.024 0.000 1.136 367 A HN 2.365 nan 8.150 nan 0.000 0.493 368 A N 1.171 124.011 122.820 0.034 0.000 2.328 368 A HA 0.626 4.913 4.320 -0.055 0.000 0.284 368 A C 0.755 178.355 177.584 0.027 0.000 1.160 368 A CA 0.150 52.208 52.037 0.036 0.000 0.818 368 A CB -0.103 18.920 19.000 0.037 0.000 1.087 368 A HN 2.133 nan 8.150 nan 0.000 0.504 369 A N 4.310 127.146 122.820 0.028 0.000 2.520 369 A HA 0.508 4.795 4.320 -0.055 0.000 0.235 369 A C -1.866 175.727 177.584 0.014 0.000 1.065 369 A CA -0.817 51.232 52.037 0.020 0.000 0.764 369 A CB -0.578 18.435 19.000 0.021 0.000 1.002 369 A HN 0.709 nan 8.150 nan 0.000 0.502 370 P HA 0.263 nan 4.420 nan 0.000 0.268 370 P C -0.098 177.199 177.300 -0.005 0.000 1.205 370 P CA 0.204 63.304 63.100 0.002 0.000 0.771 370 P CB 0.511 32.211 31.700 -0.001 0.000 0.858 371 A N 3.035 125.848 122.820 -0.011 0.000 2.546 371 A HA -0.023 4.264 4.320 -0.055 0.000 0.243 371 A C 0.666 178.228 177.584 -0.035 0.000 1.063 371 A CA -0.055 51.965 52.037 -0.028 0.000 0.757 371 A CB -0.481 18.500 19.000 -0.033 0.000 0.991 371 A HN 0.652 nan 8.150 nan 0.000 0.503 372 Q N 2.841 122.610 119.800 -0.053 0.000 2.286 372 Q HA 0.236 4.543 4.340 -0.055 0.000 0.267 372 Q C -2.279 173.687 176.000 -0.056 0.000 1.028 372 Q CA -1.531 54.241 55.803 -0.051 0.000 0.901 372 Q CB 0.302 29.002 28.738 -0.063 0.000 1.183 372 Q HN 0.471 nan 8.270 nan 0.000 0.392 373 P HA -0.009 nan 4.420 nan 0.000 0.268 373 P C -1.302 175.995 177.300 -0.004 0.000 1.204 373 P CA -0.055 63.035 63.100 -0.018 0.000 0.768 373 P CB 0.727 32.418 31.700 -0.014 0.000 0.842 374 V N 1.257 121.187 119.914 0.027 0.000 3.007 374 V HA 0.770 4.857 4.120 -0.055 0.000 0.311 374 V C -0.862 175.318 176.094 0.144 0.000 1.120 374 V CA -1.079 61.278 62.300 0.094 0.000 0.980 374 V CB 2.271 34.174 31.823 0.133 0.000 1.033 374 V HN 0.349 nan 8.190 nan 0.000 0.429 375 V N 3.875 123.890 119.914 0.168 0.000 2.709 375 V HA 0.928 5.015 4.120 -0.055 0.000 0.308 375 V C -0.983 175.257 176.094 0.242 0.000 1.062 375 V CA 0.003 62.389 62.300 0.144 0.000 0.901 375 V CB 2.007 33.850 31.823 0.034 0.000 1.003 375 V HN 1.495 nan 8.190 nan 0.000 0.425 376 H N 3.491 122.633 119.070 0.120 0.000 3.046 376 H HA 0.673 5.194 4.556 -0.057 0.000 0.361 376 H C -1.379 173.997 175.328 0.079 0.000 1.235 376 H CA -1.111 54.989 56.048 0.086 0.000 1.146 376 H CB 1.449 31.261 29.762 0.082 0.000 1.859 376 H HN 0.514 nan 8.280 nan 0.000 0.548 377 I N 2.677 123.284 120.570 0.062 0.000 2.291 377 I HA 0.296 4.433 4.170 -0.055 0.000 0.292 377 I C 1.124 177.244 176.117 0.005 0.000 1.064 377 I CA -0.235 61.051 61.300 -0.024 0.000 1.269 377 I CB 1.305 39.279 38.000 -0.043 0.000 1.418 377 I HN 0.928 nan 8.210 nan 0.000 0.485 378 A N 4.699 127.474 122.820 -0.075 0.000 1.968 378 A HA 0.032 4.319 4.320 -0.055 0.000 0.217 378 A C 0.946 178.417 177.584 -0.189 0.000 1.169 378 A CA 1.117 53.112 52.037 -0.070 0.000 0.638 378 A CB -0.102 18.800 19.000 -0.163 0.000 0.812 378 A HN 0.685 nan 8.150 nan 0.000 0.446 379 S N -0.968 114.585 115.700 -0.245 0.000 2.566 379 S HA 0.577 5.014 4.470 -0.055 0.000 0.273 379 S C -3.476 171.051 174.600 -0.122 0.000 1.157 379 S CA -1.464 56.623 58.200 -0.188 0.000 0.938 379 S CB 2.298 65.336 63.200 -0.271 0.000 1.087 379 S HN 0.061 nan 8.310 nan 0.000 0.474 380 P HA 0.403 nan 4.420 nan 0.000 0.280 380 P C -0.046 177.248 177.300 -0.009 0.000 1.244 380 P CA -0.077 63.023 63.100 0.000 0.000 0.784 380 P CB 0.814 32.572 31.700 0.097 0.000 0.913 381 A N 2.979 125.795 122.820 -0.005 0.000 2.425 381 A HA 0.084 4.371 4.320 -0.055 0.000 0.242 381 A C 0.325 177.927 177.584 0.031 0.000 1.077 381 A CA -0.153 51.891 52.037 0.011 0.000 0.781 381 A CB -0.560 18.447 19.000 0.011 0.000 1.020 381 A HN 0.604 nan 8.150 nan 0.000 0.494 382 D N 0.219 120.639 120.400 0.033 0.000 2.455 382 D HA 0.373 4.979 4.640 -0.055 0.000 0.241 382 D C 1.369 177.698 176.300 0.048 0.000 1.138 382 D CA 1.810 55.834 54.000 0.040 0.000 0.877 382 D CB 0.193 41.014 40.800 0.035 0.000 1.187 382 D HN 1.198 nan 8.370 nan 0.000 0.451 383 G N 2.174 111.006 108.800 0.054 0.000 2.179 383 G HA2 -0.214 3.713 3.960 -0.055 0.000 0.260 383 G HA3 -0.214 3.713 3.960 -0.055 0.000 0.260 383 G C 0.483 175.419 174.900 0.059 0.000 0.977 383 G CA 0.257 45.390 45.100 0.054 0.000 0.641 383 G HN 0.900 nan 8.290 nan 0.000 0.533 384 A N -0.322 122.536 122.820 0.063 0.000 2.366 384 A HA 0.751 5.038 4.320 -0.055 0.000 0.249 384 A C 0.616 178.245 177.584 0.076 0.000 1.084 384 A CA 0.735 52.809 52.037 0.063 0.000 0.794 384 A CB 0.408 19.440 19.000 0.054 0.000 1.034 384 A HN 1.123 nan 8.150 nan 0.000 0.491 385 R N 1.541 122.080 120.500 0.066 0.000 2.255 385 R HA 0.507 4.813 4.340 -0.055 0.000 0.326 385 R C -0.697 175.641 176.300 0.062 0.000 0.986 385 R CA -0.213 55.928 56.100 0.068 0.000 0.847 385 R CB 0.434 30.764 30.300 0.050 0.000 1.111 385 R HN 0.474 nan 8.270 nan 0.000 0.452 391 T N -2.518 111.979 114.554 -0.095 0.000 2.742 391 T HA 0.833 5.150 4.350 -0.055 0.000 0.282 391 T C -0.690 174.025 174.700 0.025 0.000 1.025 391 T CA -0.739 61.339 62.100 -0.037 0.000 1.020 391 T CB 1.739 70.594 68.868 -0.022 0.000 1.317 391 T HN 0.293 nan 8.240 nan 0.000 0.538 392 T N 1.285 115.841 114.554 0.004 0.000 2.792 392 T HA 0.554 4.871 4.350 -0.055 0.000 0.280 392 T C -0.299 174.387 174.700 -0.024 0.000 0.990 392 T CA -0.535 61.562 62.100 -0.006 0.000 0.960 392 T CB 1.285 70.114 68.868 -0.065 0.000 0.939 392 T HN 0.586 nan 8.240 nan 0.000 0.439 393 V N 5.038 124.953 119.914 0.001 0.000 2.455 393 V HA 0.334 4.421 4.120 -0.055 0.000 0.273 393 V C 0.444 176.467 176.094 -0.118 0.000 1.045 393 V CA -0.235 62.021 62.300 -0.073 0.000 0.976 393 V CB 0.354 32.107 31.823 -0.116 0.000 0.993 393 V HN 0.682 nan 8.190 nan 0.000 0.475 394 R N 3.734 124.098 120.500 -0.226 0.000 2.393 394 R HA 0.697 5.003 4.340 -0.055 0.000 0.315 394 R C -1.371 174.805 176.300 -0.206 0.000 0.952 394 R CA -0.557 55.347 56.100 -0.328 0.000 0.842 394 R CB 2.157 31.903 30.300 -0.924 0.000 1.163 394 R HN 0.508 nan 8.270 nan 0.000 0.450 395 V N 3.365 123.298 119.914 0.033 0.000 2.495 395 V HA 0.417 4.504 4.120 -0.055 0.000 0.298 395 V C -0.369 175.900 176.094 0.292 0.000 1.031 395 V CA -0.885 61.466 62.300 0.084 0.000 0.871 395 V CB 1.802 33.657 31.823 0.054 0.000 0.988 395 V HN 0.558 nan 8.190 nan 0.000 0.432 396 R N 4.068 124.637 120.500 0.114 0.000 2.294 396 R HA 0.672 4.978 4.340 -0.055 0.000 0.319 396 R C -1.457 174.884 176.300 0.069 0.000 0.984 396 R CA -0.286 55.905 56.100 0.152 0.000 0.861 396 R CB 1.416 31.721 30.300 0.009 0.000 1.104 396 R HN 0.476 nan 8.270 nan 0.000 0.451 397 V N 4.236 124.250 119.914 0.168 0.000 2.378 397 V HA 0.737 4.824 4.120 -0.055 0.000 0.288 397 V C 0.393 176.558 176.094 0.119 0.000 1.016 397 V CA -0.550 61.807 62.300 0.095 0.000 0.840 397 V CB 1.515 33.326 31.823 -0.019 0.000 0.994 397 V HN 0.888 nan 8.190 nan 0.000 0.431 398 G N 1.879 110.745 108.800 0.110 0.000 2.481 398 G HA2 0.610 4.537 3.960 -0.055 0.000 0.315 398 G HA3 0.610 4.537 3.960 -0.055 0.000 0.315 398 G C 0.620 175.534 174.900 0.024 0.000 1.231 398 G CA -0.174 44.973 45.100 0.077 0.000 0.968 398 G HN 1.570 nan 8.290 nan 0.000 0.482 399 G N -1.055 107.748 108.800 0.006 0.000 2.143 399 G HA2 0.087 4.014 3.960 -0.055 0.000 0.249 399 G HA3 0.087 4.014 3.960 -0.055 0.000 0.249 399 G C 0.325 175.218 174.900 -0.012 0.000 0.981 399 G CA 1.131 46.223 45.100 -0.013 0.000 0.665 399 G HN 1.781 nan 8.290 nan 0.000 0.528 400 T N -0.725 113.824 114.554 -0.008 0.000 2.830 400 T HA 0.463 4.780 4.350 -0.055 0.000 0.322 400 T C -1.834 172.857 174.700 -0.015 0.000 1.501 400 T CA -0.164 61.928 62.100 -0.014 0.000 1.036 400 T CB 1.427 70.283 68.868 -0.021 0.000 1.379 400 T HN 0.015 nan 8.240 nan 0.000 0.493 401 D N 1.791 122.181 120.400 -0.017 0.000 2.350 401 D HA 0.471 5.077 4.640 -0.055 0.000 0.249 401 D C -0.218 176.069 176.300 -0.021 0.000 1.119 401 D CA 0.139 54.130 54.000 -0.015 0.000 0.886 401 D CB 1.476 42.269 40.800 -0.011 0.000 1.195 401 D HN 0.314 nan 8.370 nan 0.000 0.437 402 V N 2.659 122.573 119.914 0.001 0.000 2.495 402 V HA 0.167 4.253 4.120 -0.055 0.000 0.298 402 V C 1.121 177.224 176.094 0.016 0.000 1.031 402 V CA -0.575 61.696 62.300 -0.048 0.000 0.871 402 V CB 1.868 33.627 31.823 -0.107 0.000 0.988 402 V HN 0.518 nan 8.190 nan 0.000 0.432 403 Q N 2.980 122.734 119.800 -0.077 0.000 2.226 403 Q HA 0.139 4.446 4.340 -0.055 0.000 0.199 403 Q C 0.687 176.655 176.000 -0.053 0.000 0.945 403 Q CA 1.029 56.826 55.803 -0.011 0.000 0.861 403 Q CB 0.780 29.501 28.738 -0.028 0.000 0.953 403 Q HN 0.920 nan 8.270 nan 0.000 0.490 404 S N -1.325 114.197 115.700 -0.295 0.000 2.570 404 S HA 0.640 5.076 4.470 -0.055 0.000 0.270 404 S C -1.176 173.050 174.600 -0.623 0.000 1.149 404 S CA -0.909 57.062 58.200 -0.382 0.000 0.837 404 S CB 2.154 65.278 63.200 -0.126 0.000 1.124 404 S HN -0.015 nan 8.310 nan 0.000 0.465 405 V N 1.580 121.148 119.914 -0.576 0.000 2.623 405 V HA 0.695 4.782 4.120 -0.055 0.000 0.304 405 V C -0.533 175.467 176.094 -0.158 0.000 1.054 405 V CA -0.358 61.691 62.300 -0.417 0.000 0.882 405 V CB 1.867 33.366 31.823 -0.541 0.000 1.002 405 V HN 1.071 nan 8.190 nan 0.000 0.424 406 T N 3.737 118.213 114.554 -0.129 0.000 2.863 406 T HA 0.700 5.016 4.350 -0.055 0.000 0.285 406 T C -0.705 173.941 174.700 -0.089 0.000 1.009 406 T CA -0.492 61.560 62.100 -0.079 0.000 0.989 406 T CB 2.058 70.886 68.868 -0.067 0.000 1.004 406 T HN 0.351 nan 8.240 nan 0.000 0.455 407 V N 2.763 122.621 119.914 -0.093 0.000 2.540 407 V HA 0.427 4.514 4.120 -0.055 0.000 0.302 407 V C -0.279 175.730 176.094 -0.141 0.000 1.035 407 V CA -0.758 61.461 62.300 -0.135 0.000 0.873 407 V CB 1.875 33.586 31.823 -0.187 0.000 0.992 407 V HN 0.841 nan 8.190 nan 0.000 0.428 408 E N 3.081 123.201 120.200 -0.134 0.000 2.145 408 E HA 0.507 4.823 4.350 -0.055 0.000 0.270 408 E C -1.291 175.223 176.600 -0.143 0.000 0.906 408 E CA -0.506 55.827 56.400 -0.112 0.000 0.761 408 E CB 2.364 32.026 29.700 -0.064 0.000 1.116 408 E HN 0.452 nan 8.360 nan 0.000 0.408 409 V N 2.483 122.305 119.914 -0.154 0.000 2.407 409 V HA 0.612 4.699 4.120 -0.055 0.000 0.278 409 V C 0.059 176.174 176.094 0.036 0.000 1.037 409 V CA -0.409 61.815 62.300 -0.127 0.000 0.900 409 V CB 1.133 32.812 31.823 -0.240 0.000 0.983 409 V HN 0.740 nan 8.190 nan 0.000 0.459 410 A N 4.533 127.409 122.820 0.094 0.000 2.469 410 A HA 0.913 5.200 4.320 -0.055 0.000 0.299 410 A C -0.747 176.931 177.584 0.157 0.000 1.098 410 A CA -0.584 51.518 52.037 0.108 0.000 0.737 410 A CB 2.262 21.293 19.000 0.051 0.000 1.312 410 A HN 0.762 nan 8.150 nan 0.000 0.414 415 V N 3.761 123.696 119.914 0.035 0.000 2.485 415 V HA 0.244 4.331 4.120 -0.055 0.000 0.287 415 V C 1.864 177.992 176.094 0.056 0.000 1.022 415 V CA 0.627 62.951 62.300 0.039 0.000 1.067 415 V CB 0.769 32.603 31.823 0.019 0.000 0.967 415 V HN 1.106 nan 8.190 nan 0.000 0.479 416 V N -0.071 119.894 119.914 0.086 0.000 3.661 416 V HA 0.499 4.585 4.120 -0.055 0.000 0.271 416 V C 0.241 176.400 176.094 0.108 0.000 1.315 416 V CA 0.362 62.729 62.300 0.112 0.000 1.072 416 V CB 0.515 32.446 31.823 0.179 0.000 0.830 416 V HN 0.780 nan 8.190 nan 0.000 0.443 417 D N -0.382 120.062 120.400 0.074 0.000 2.836 417 D HA 0.453 5.060 4.640 -0.055 0.000 0.215 417 D C -1.313 174.980 176.300 -0.012 0.000 1.255 417 D CA 0.110 54.142 54.000 0.054 0.000 0.822 417 D CB 2.504 43.369 40.800 0.108 0.000 1.656 417 D HN 0.174 nan 8.370 nan 0.000 0.511 418 T N 2.699 117.248 114.554 -0.009 0.000 2.841 418 T HA 0.596 4.913 4.350 -0.055 0.000 0.285 418 T C -0.230 174.454 174.700 -0.028 0.000 0.991 418 T CA -0.496 61.584 62.100 -0.032 0.000 0.966 418 T CB 0.769 69.627 68.868 -0.015 0.000 0.962 418 T HN 0.149 nan 8.240 nan 0.000 0.438 419 L N 3.002 124.191 121.223 -0.056 0.000 2.341 419 L HA 0.560 4.866 4.340 -0.055 0.000 0.278 419 L C -0.528 176.334 176.870 -0.013 0.000 1.005 419 L CA -1.118 53.702 54.840 -0.033 0.000 0.818 419 L CB 1.605 43.622 42.059 -0.070 0.000 1.259 419 L HN 0.489 nan 8.230 nan 0.000 0.418 420 D N 4.474 124.887 120.400 0.022 0.000 2.280 420 D HA 0.462 5.069 4.640 -0.055 0.000 0.236 420 D C -0.226 176.133 176.300 0.098 0.000 1.082 420 D CA -0.188 53.842 54.000 0.050 0.000 0.834 420 D CB 1.991 42.824 40.800 0.055 0.000 1.100 420 D HN 0.248 nan 8.370 nan 0.000 0.486 421 L N 0.794 122.109 121.223 0.154 0.000 2.399 421 L HA 0.727 5.034 4.340 -0.055 0.000 0.265 421 L C 0.462 177.584 176.870 0.420 0.000 1.089 421 L CA -1.037 53.958 54.840 0.259 0.000 0.802 421 L CB 1.127 43.365 42.059 0.299 0.000 1.180 421 L HN 0.283 nan 8.230 nan 0.000 0.454 422 A N 0.938 123.939 122.820 0.302 0.000 2.365 422 A HA 0.482 4.769 4.320 -0.055 0.000 0.318 422 A C -1.243 176.260 177.584 -0.136 0.000 1.091 422 A CA -0.460 51.657 52.037 0.132 0.000 0.763 422 A CB 1.016 20.042 19.000 0.044 0.000 1.248 422 A HN 0.543 nan 8.150 nan 0.000 0.442 423 Y N 2.193 121.946 120.300 -0.911 0.000 2.526 423 Y HA 0.182 4.698 4.550 -0.057 0.000 0.330 423 Y C 1.042 176.661 175.900 -0.468 0.000 1.156 423 Y CA 0.129 57.541 58.100 -1.148 0.000 1.419 423 Y CB 0.823 38.397 38.460 -1.477 0.000 1.250 423 Y HN 0.801 nan 8.280 nan 0.000 0.540 424 D N 2.341 122.259 120.400 -0.804 0.000 2.340 424 D HA 0.117 4.723 4.640 -0.055 0.000 0.220 424 D C 1.566 177.454 176.300 -0.686 0.000 1.039 424 D CA 0.676 54.359 54.000 -0.528 0.000 0.866 424 D CB -0.155 40.517 40.800 -0.213 0.000 0.913 424 D HN 0.877 nan 8.370 nan 0.000 0.523 425 G N -0.632 107.363 108.800 -1.341 0.000 2.195 425 G HA2 -0.218 3.709 3.960 -0.055 0.000 0.246 425 G HA3 -0.218 3.709 3.960 -0.055 0.000 0.246 425 G C 0.919 175.497 174.900 -0.536 0.000 0.984 425 G CA 0.281 44.907 45.100 -0.791 0.000 0.633 425 G HN 0.971 nan 8.290 nan 0.000 0.525 426 A N -2.361 120.103 122.820 -0.594 0.000 1.895 426 A HA 0.755 5.042 4.320 -0.055 0.000 0.198 426 A C 1.423 178.915 177.584 -0.154 0.000 1.709 426 A CA 1.874 53.769 52.037 -0.237 0.000 1.194 426 A CB 0.147 19.038 19.000 -0.182 0.000 1.260 426 A HN 1.215 nan 8.150 nan 0.000 0.441 427 L N -2.987 118.098 121.223 -0.230 0.000 1.998 427 L HA 0.415 4.721 4.340 -0.055 0.000 0.194 427 L C -1.243 175.579 176.870 -0.080 0.000 1.198 427 L CA 0.372 55.053 54.840 -0.265 0.000 1.134 427 L CB 0.398 42.006 42.059 -0.753 0.000 2.366 427 L HN 0.390 nan 8.230 nan 0.000 0.504 428 W N -0.270 121.110 121.300 0.133 0.000 2.627 428 W HA 0.385 5.018 4.660 -0.044 0.000 0.339 428 W C -0.975 175.649 176.519 0.175 0.000 1.058 428 W CA -1.124 56.330 57.345 0.182 0.000 1.223 428 W CB 0.642 30.161 29.460 0.099 0.000 1.389 428 W HN -0.061 nan 8.180 nan 0.000 0.541 429 W N 1.987 123.520 121.300 0.387 0.000 2.316 429 W HA 0.417 5.045 4.660 -0.053 0.000 0.311 429 W C 0.666 177.276 176.519 0.152 0.000 1.217 429 W CA 0.058 57.556 57.345 0.255 0.000 1.199 429 W CB 1.030 30.600 29.460 0.183 0.000 1.202 429 W HN 0.054 nan 8.180 nan 0.000 0.528 430 T N 0.173 114.887 114.554 0.266 0.000 2.906 430 T HA 0.934 5.250 4.350 -0.055 0.000 0.295 430 T C -0.838 173.925 174.700 0.106 0.000 1.075 430 T CA -0.953 61.228 62.100 0.135 0.000 1.005 430 T CB 2.104 71.020 68.868 0.079 0.000 1.136 430 T HN 0.757 nan 8.240 nan 0.000 0.498 431 A N 2.185 125.042 122.820 0.062 0.000 2.594 431 A HA 0.870 5.157 4.320 -0.055 0.000 0.295 431 A C -3.135 174.485 177.584 0.060 0.000 1.071 431 A CA -1.716 50.356 52.037 0.058 0.000 0.685 431 A CB 1.202 20.235 19.000 0.056 0.000 1.285 431 A HN 0.730 nan 8.150 nan 0.000 0.405 432 P HA 0.338 nan 4.420 nan 0.000 0.271 432 P C -1.167 176.242 177.300 0.181 0.000 1.218 432 P CA 0.202 63.354 63.100 0.088 0.000 0.780 432 P CB 0.520 32.252 31.700 0.054 0.000 0.901 433 W N 2.231 123.492 121.300 -0.064 0.000 3.042 433 W HA 0.380 5.006 4.660 -0.057 0.000 0.337 433 W C -1.353 175.116 176.519 -0.083 0.000 1.086 433 W CA -0.513 56.784 57.345 -0.080 0.000 1.236 433 W CB 1.381 30.776 29.460 -0.109 0.000 1.381 433 W HN 0.139 nan 8.180 nan 0.000 0.472 434 S N 7.109 122.624 115.700 -0.309 0.000 2.505 434 S HA 0.386 4.823 4.470 -0.055 0.000 0.280 434 S C -2.029 172.164 174.600 -0.677 0.000 1.197 434 S CA -0.733 57.203 58.200 -0.440 0.000 1.138 434 S CB 0.573 63.664 63.200 -0.181 0.000 1.010 434 S HN 0.275 nan 8.310 nan 0.000 0.480 444 T N 1.556 115.990 114.554 -0.200 0.000 2.977 444 T HA 0.649 4.966 4.350 -0.055 0.000 0.346 444 T C -0.299 174.349 174.700 -0.087 0.000 1.140 444 T CA -0.471 61.568 62.100 -0.101 0.000 1.040 444 T CB -0.270 68.581 68.868 -0.030 0.000 1.046 444 T HN 0.261 nan 8.240 nan 0.000 0.494 445 Y N 1.567 121.918 120.300 0.085 0.000 2.480 445 Y HA 0.392 4.909 4.550 -0.055 0.000 0.338 445 Y C 1.219 177.148 175.900 0.049 0.000 1.220 445 Y CA -0.028 58.131 58.100 0.098 0.000 1.430 445 Y CB 1.044 39.623 38.460 0.198 0.000 1.311 445 Y HN 0.446 nan 8.280 nan 0.000 0.575 446 T N 3.062 117.734 114.554 0.197 0.000 2.770 446 T HA 0.449 4.766 4.350 -0.055 0.000 0.283 446 T C -0.948 173.762 174.700 0.016 0.000 0.988 446 T CA -0.666 61.485 62.100 0.084 0.000 0.957 446 T CB 0.605 69.503 68.868 0.049 0.000 0.930 446 T HN 0.305 nan 8.240 nan 0.000 0.443 447 V N 4.665 124.553 119.914 -0.042 0.000 2.313 447 V HA 0.406 4.493 4.120 -0.055 0.000 0.278 447 V C 0.187 176.216 176.094 -0.107 0.000 1.017 447 V CA -0.693 61.516 62.300 -0.152 0.000 0.823 447 V CB 1.304 32.978 31.823 -0.249 0.000 1.010 447 V HN 0.931 nan 8.190 nan 0.000 0.443 448 T N 4.649 119.139 114.554 -0.106 0.000 2.772 448 T HA 0.676 4.993 4.350 -0.055 0.000 0.288 448 T C 0.184 174.829 174.700 -0.092 0.000 0.994 448 T CA -0.240 61.815 62.100 -0.075 0.000 0.951 448 T CB 1.490 70.327 68.868 -0.052 0.000 0.933 448 T HN 0.813 nan 8.240 nan 0.000 0.447 449 A N 3.210 125.983 122.820 -0.079 0.000 2.301 449 A HA 0.714 5.000 4.320 -0.055 0.000 0.312 449 A C 0.224 177.761 177.584 -0.079 0.000 1.182 449 A CA -0.613 51.372 52.037 -0.086 0.000 0.826 449 A CB 0.492 19.445 19.000 -0.079 0.000 1.134 449 A HN 0.691 nan 8.150 nan 0.000 0.501 450 T N 1.844 116.340 114.554 -0.096 0.000 2.840 450 T HA 0.616 4.933 4.350 -0.055 0.000 0.287 450 T C -0.276 174.337 174.700 -0.144 0.000 0.991 450 T CA -0.009 62.033 62.100 -0.097 0.000 0.964 450 T CB 1.401 70.221 68.868 -0.079 0.000 0.954 450 T HN 1.065 nan 8.240 nan 0.000 0.438 451 A N 2.843 125.571 122.820 -0.154 0.000 2.303 451 A HA 0.682 4.969 4.320 -0.055 0.000 0.320 451 A C 0.304 177.781 177.584 -0.178 0.000 1.192 451 A CA -0.719 51.182 52.037 -0.227 0.000 0.821 451 A CB 0.495 19.348 19.000 -0.245 0.000 1.188 451 A HN 0.669 nan 8.150 nan 0.000 0.492 452 T N 2.891 117.326 114.554 -0.199 0.000 2.727 452 T HA 0.535 4.852 4.350 -0.055 0.000 0.298 452 T C 0.505 175.121 174.700 -0.140 0.000 0.942 452 T CA 0.264 62.281 62.100 -0.138 0.000 0.997 452 T CB 0.338 69.138 68.868 -0.113 0.000 0.917 452 T HN 0.963 nan 8.240 nan 0.000 0.487 453 T N -0.503 113.992 114.554 -0.099 0.000 2.864 453 T HA 0.693 5.010 4.350 -0.055 0.000 0.289 453 T C 1.383 176.054 174.700 -0.050 0.000 1.082 453 T CA -0.462 61.590 62.100 -0.080 0.000 1.009 453 T CB 1.426 70.248 68.868 -0.078 0.000 1.234 453 T HN 0.291 nan 8.240 nan 0.000 0.526 454 A N 0.071 122.868 122.820 -0.037 0.000 2.172 454 A HA 0.453 4.740 4.320 -0.055 0.000 0.216 454 A C 2.084 179.654 177.584 -0.023 0.000 1.154 454 A CA 1.185 53.208 52.037 -0.025 0.000 0.701 454 A CB -1.083 17.906 19.000 -0.019 0.000 0.789 454 A HN 1.312 nan 8.150 nan 0.000 0.465 455 A N -1.460 121.344 122.820 -0.027 0.000 2.387 455 A HA 0.528 4.814 4.320 -0.055 0.000 0.234 455 A C 1.205 178.775 177.584 -0.024 0.000 1.253 455 A CA 0.952 52.975 52.037 -0.022 0.000 0.894 455 A CB -0.776 18.212 19.000 -0.021 0.000 0.963 455 A HN 1.969 nan 8.150 nan 0.000 0.508 456 G N -1.289 107.493 108.800 -0.030 0.000 2.526 456 G HA2 -0.021 3.906 3.960 -0.055 0.000 0.250 456 G HA3 -0.021 3.906 3.960 -0.055 0.000 0.250 456 G C -0.283 174.592 174.900 -0.042 0.000 1.289 456 G CA -0.415 44.666 45.100 -0.031 0.000 0.947 456 G HN 0.550 nan 8.290 nan 0.000 0.517 457 T N 1.266 115.796 114.554 -0.039 0.000 2.780 457 T HA 0.572 4.888 4.350 -0.055 0.000 0.294 457 T C 0.415 175.091 174.700 -0.041 0.000 0.949 457 T CA 0.187 62.258 62.100 -0.047 0.000 1.074 457 T CB 0.432 69.274 68.868 -0.042 0.000 0.910 457 T HN 0.594 nan 8.240 nan 0.000 0.501 458 L N 4.050 125.242 121.223 -0.052 0.000 2.346 458 L HA 0.715 5.022 4.340 -0.055 0.000 0.274 458 L C -0.385 176.461 176.870 -0.041 0.000 1.007 458 L CA -1.095 53.723 54.840 -0.037 0.000 0.818 458 L CB 1.823 43.863 42.059 -0.032 0.000 1.284 458 L HN 0.684 nan 8.230 nan 0.000 0.424 459 D N 0.999 121.385 120.400 -0.023 0.000 2.579 459 D HA 0.707 5.314 4.640 -0.055 0.000 0.257 459 D C -1.253 175.046 176.300 -0.002 0.000 1.176 459 D CA -0.750 53.236 54.000 -0.023 0.000 0.914 459 D CB 2.535 43.316 40.800 -0.031 0.000 1.431 459 D HN 0.300 nan 8.370 nan 0.000 0.454 460 V N -0.858 119.054 119.914 -0.004 0.000 3.077 460 V HA 0.689 4.776 4.120 -0.055 0.000 0.299 460 V C -1.619 174.474 176.094 -0.003 0.000 1.276 460 V CA -0.238 62.069 62.300 0.013 0.000 0.993 460 V CB 2.365 34.215 31.823 0.045 0.000 1.076 460 V HN 0.861 nan 8.190 nan 0.000 0.434 461 T N 5.028 119.585 114.554 0.004 0.000 2.840 461 T HA 0.548 4.865 4.350 -0.055 0.000 0.287 461 T C -0.811 173.893 174.700 0.007 0.000 0.991 461 T CA -0.454 61.644 62.100 -0.004 0.000 0.964 461 T CB 1.118 69.986 68.868 -0.000 0.000 0.954 461 T HN 0.674 nan 8.240 nan 0.000 0.438 462 N N 2.234 120.933 118.700 -0.002 0.000 2.399 462 N HA 0.350 5.057 4.740 -0.055 0.000 0.295 462 N C -0.518 175.007 175.510 0.024 0.000 1.048 462 N CA -0.611 52.447 53.050 0.012 0.000 0.886 462 N CB 1.607 40.096 38.487 0.003 0.000 1.185 462 N HN 0.617 nan 8.380 nan 0.000 0.487 463 E N 1.079 121.304 120.200 0.041 0.000 2.133 463 E HA 0.461 4.778 4.350 -0.055 0.000 0.274 463 E C -0.983 175.666 176.600 0.082 0.000 0.930 463 E CA -0.763 55.673 56.400 0.061 0.000 0.770 463 E CB 0.995 30.724 29.700 0.048 0.000 1.104 463 E HN 0.424 nan 8.360 nan 0.000 0.403 464 V N 0.777 120.769 119.914 0.130 0.000 2.823 464 V HA 0.902 4.988 4.120 -0.055 0.000 0.312 464 V C -0.089 176.116 176.094 0.184 0.000 1.072 464 V CA -0.839 61.557 62.300 0.161 0.000 0.937 464 V CB 1.374 33.319 31.823 0.204 0.000 1.013 464 V HN 0.732 nan 8.190 nan 0.000 0.430 465 A N 0.000 122.905 122.820 0.142 0.000 2.254 465 A HA 0.000 4.287 4.320 -0.055 0.000 0.244 465 A CA 0.000 52.102 52.037 0.108 0.000 0.836 465 A CB 0.000 19.039 19.000 0.065 0.000 0.831 465 A HN 0.000 nan 8.150 nan 0.000 0.486