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_B 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 ARVASAPTTV RVRVGGTDVQ DATA SEQUENCE SVTVEVAQXX TVVDTLDLAY DGALWWTAPW SPXXXXXXXX XYTVTATATT 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 56.416 56.400 0.026 0.000 0.976 4 E CB 0.000 29.718 29.700 0.030 0.000 0.812 5 T N 4.480 119.051 114.554 0.028 0.000 2.812 5 T HA 0.580 4.931 4.350 0.001 0.000 0.282 5 T C -0.188 174.532 174.700 0.034 0.000 0.990 5 T CA -0.550 61.567 62.100 0.029 0.000 0.960 5 T CB 0.316 69.198 68.868 0.024 0.000 0.948 5 T HN 0.420 nan 8.240 nan 0.000 0.438 6 I N -0.138 120.456 120.570 0.041 0.000 2.740 6 I HA 0.925 5.095 4.170 0.001 0.000 0.303 6 I C -0.031 176.117 176.117 0.051 0.000 1.044 6 I CA -1.631 59.698 61.300 0.049 0.000 1.064 6 I CB 1.713 39.749 38.000 0.060 0.000 1.249 6 I HN 0.600 nan 8.210 nan 0.000 0.433 7 A N 6.614 129.467 122.820 0.055 0.000 2.395 7 A HA 0.595 4.915 4.320 0.001 0.000 0.286 7 A C -0.451 177.180 177.584 0.078 0.000 1.193 7 A CA -0.100 51.971 52.037 0.057 0.000 0.852 7 A CB -0.165 18.869 19.000 0.056 0.000 1.118 7 A HN 0.785 nan 8.150 nan 0.000 0.524 8 I N 3.496 124.112 120.570 0.077 0.000 2.619 8 I HA 0.301 4.471 4.170 0.001 0.000 0.292 8 I C 0.659 176.837 176.117 0.101 0.000 1.100 8 I CA -0.787 60.578 61.300 0.108 0.000 1.043 8 I CB 2.153 40.220 38.000 0.111 0.000 1.239 8 I HN 0.376 nan 8.210 nan 0.000 0.420 9 V N 4.153 124.158 119.914 0.152 0.000 2.255 9 V HA -0.177 3.944 4.120 0.001 0.000 0.247 9 V C 0.681 176.836 176.094 0.100 0.000 1.051 9 V CA 1.771 64.142 62.300 0.120 0.000 1.018 9 V CB -0.530 31.434 31.823 0.234 0.000 0.641 9 V HN 0.774 nan 8.190 nan 0.000 0.445 10 D N -0.391 120.118 120.400 0.182 0.000 2.411 10 D HA 0.390 5.031 4.640 0.001 0.000 0.225 10 D C 0.862 177.214 176.300 0.087 0.000 1.156 10 D CA 0.432 54.513 54.000 0.134 0.000 0.874 10 D CB 1.310 42.222 40.800 0.187 0.000 1.034 10 D HN 0.194 nan 8.370 nan 0.000 0.502 11 A N 3.530 126.379 122.820 0.048 0.000 2.121 11 A HA -0.106 4.214 4.320 0.001 0.000 0.218 11 A C 1.437 179.039 177.584 0.031 0.000 1.154 11 A CA 0.770 52.829 52.037 0.035 0.000 0.679 11 A CB 0.064 19.073 19.000 0.015 0.000 0.795 11 A HN 0.508 nan 8.150 nan 0.000 0.458 12 D N -0.693 119.725 120.400 0.029 0.000 2.643 12 D HA 0.496 5.137 4.640 0.001 0.000 0.244 12 D C 0.318 176.632 176.300 0.024 0.000 1.257 12 D CA 0.283 54.294 54.000 0.019 0.000 0.831 12 D CB -0.045 40.757 40.800 0.004 0.000 1.043 12 D HN 0.374 nan 8.370 nan 0.000 0.488 13 A N 0.056 122.903 122.820 0.045 0.000 2.366 13 A HA 0.470 4.791 4.320 0.001 0.000 0.249 13 A C 0.947 178.554 177.584 0.038 0.000 1.084 13 A CA -0.304 51.764 52.037 0.051 0.000 0.794 13 A CB 0.080 19.133 19.000 0.088 0.000 1.034 13 A HN 0.389 nan 8.150 nan 0.000 0.491 14 T N -0.954 113.618 114.554 0.029 0.000 2.855 14 T HA 0.339 4.689 4.350 0.001 0.000 0.322 14 T C 1.367 176.093 174.700 0.043 0.000 1.088 14 T CA 0.146 62.259 62.100 0.022 0.000 1.104 14 T CB 0.598 69.469 68.868 0.006 0.000 0.996 14 T HN 1.405 nan 8.240 nan 0.000 0.549 15 A N 1.542 124.384 122.820 0.037 0.000 1.917 15 A HA -0.109 4.212 4.320 0.001 0.000 0.219 15 A C 2.217 179.848 177.584 0.078 0.000 1.182 15 A CA 1.969 54.035 52.037 0.049 0.000 0.633 15 A CB -1.092 17.930 19.000 0.037 0.000 0.819 15 A HN 0.946 nan 8.150 nan 0.000 0.448 16 E N -0.646 119.606 120.200 0.086 0.000 2.204 16 E HA -0.079 4.272 4.350 0.001 0.000 0.195 16 E C 2.037 178.762 176.600 0.208 0.000 0.990 16 E CA 1.642 58.137 56.400 0.158 0.000 0.821 16 E CB -0.394 29.369 29.700 0.105 0.000 0.750 16 E HN 0.640 nan 8.360 nan 0.000 0.477 17 T N 0.208 114.846 114.554 0.141 0.000 2.851 17 T HA -0.009 4.341 4.350 0.001 0.000 0.262 17 T C 1.686 176.468 174.700 0.136 0.000 1.043 17 T CA 0.778 62.967 62.100 0.148 0.000 1.140 17 T CB -0.058 68.879 68.868 0.114 0.000 0.872 17 T HN 0.107 nan 8.240 nan 0.000 0.446 18 R N 1.183 121.750 120.500 0.110 0.000 2.096 18 R HA -0.003 4.338 4.340 0.001 0.000 0.235 18 R C 2.858 179.217 176.300 0.098 0.000 1.127 18 R CA 1.286 57.446 56.100 0.099 0.000 0.968 18 R CB -0.544 29.803 30.300 0.078 0.000 0.861 18 R HN 0.261 nan 8.270 nan 0.000 0.440 19 S N 1.335 117.094 115.700 0.099 0.000 2.359 19 S HA -0.141 4.329 4.470 0.001 0.000 0.224 19 S C 1.938 176.580 174.600 0.070 0.000 1.035 19 S CA 1.115 59.365 58.200 0.082 0.000 1.018 19 S CB -0.174 63.077 63.200 0.084 0.000 0.876 19 S HN 0.245 nan 8.310 nan 0.000 0.448 20 L N 1.236 122.503 121.223 0.074 0.000 2.042 20 L HA 0.018 4.359 4.340 0.001 0.000 0.210 20 L C 2.161 179.113 176.870 0.136 0.000 1.076 20 L CA 1.722 56.584 54.840 0.037 0.000 0.749 20 L CB -0.817 41.310 42.059 0.113 0.000 0.893 20 L HN 0.439 nan 8.230 nan 0.000 0.432 21 L N -1.277 120.029 121.223 0.139 0.000 2.141 21 L HA -0.134 4.206 4.340 0.001 0.000 0.209 21 L C 2.670 179.612 176.870 0.119 0.000 1.094 21 L CA 1.927 56.852 54.840 0.142 0.000 0.763 21 L CB -0.763 41.380 42.059 0.139 0.000 0.908 21 L HN 0.466 nan 8.230 nan 0.000 0.437 22 S N -1.672 114.093 115.700 0.109 0.000 2.355 22 S HA -0.281 4.190 4.470 0.001 0.000 0.222 22 S C 2.138 176.791 174.600 0.088 0.000 1.031 22 S CA 1.397 59.649 58.200 0.087 0.000 0.993 22 S CB -0.620 62.629 63.200 0.081 0.000 0.859 22 S HN 0.626 nan 8.310 nan 0.000 0.453 23 Y N 1.885 122.173 120.300 -0.021 0.000 2.145 23 Y HA -0.047 4.504 4.550 0.001 0.000 0.286 23 Y C 1.932 177.824 175.900 -0.014 0.000 1.145 23 Y CA 1.807 59.880 58.100 -0.045 0.000 1.148 23 Y CB -0.444 37.941 38.460 -0.125 0.000 0.981 23 Y HN 0.252 nan 8.280 nan 0.000 0.507 24 L N -0.038 121.215 121.223 0.049 0.000 2.083 24 L HA -0.204 4.136 4.340 0.001 0.000 0.209 24 L C 2.150 178.990 176.870 -0.049 0.000 1.083 24 L CA 1.703 56.547 54.840 0.007 0.000 0.752 24 L CB -0.591 41.580 42.059 0.188 0.000 0.899 24 L HN 0.254 nan 8.230 nan 0.000 0.433 25 D N 0.024 120.416 120.400 -0.013 0.000 2.123 25 D HA -0.117 4.523 4.640 0.001 0.000 0.200 25 D C 2.135 178.396 176.300 -0.065 0.000 0.976 25 D CA 1.351 55.341 54.000 -0.015 0.000 0.831 25 D CB -0.061 40.751 40.800 0.020 0.000 0.974 25 D HN 0.183 nan 8.370 nan 0.000 0.469 26 G N -0.030 108.710 108.800 -0.100 0.000 2.448 26 G HA2 -0.183 3.778 3.960 0.001 0.000 0.219 26 G HA3 -0.183 3.778 3.960 0.001 0.000 0.219 26 G C 1.668 176.461 174.900 -0.180 0.000 1.127 26 G CA 0.689 45.720 45.100 -0.116 0.000 0.766 26 G HN 0.319 nan 8.290 nan 0.000 0.552 27 V N 0.681 120.408 119.914 -0.313 0.000 3.041 27 V HA 0.143 4.264 4.120 0.001 0.000 0.260 27 V C 1.359 177.346 176.094 -0.177 0.000 1.105 27 V CA 0.143 62.246 62.300 -0.327 0.000 1.125 27 V CB -0.417 31.075 31.823 -0.552 0.000 0.730 27 V HN 0.268 nan 8.190 nan 0.000 0.479 28 R N 0.209 120.640 120.500 -0.114 0.000 2.458 28 R HA 0.318 4.658 4.340 0.001 0.000 0.303 28 R C 1.344 177.647 176.300 0.004 0.000 1.013 28 R CA 0.785 56.858 56.100 -0.044 0.000 1.026 28 R CB 0.019 30.304 30.300 -0.025 0.000 0.948 28 R HN 0.464 nan 8.270 nan 0.000 0.417 29 G N 2.347 111.194 108.800 0.079 0.000 2.225 29 G HA2 -0.268 3.692 3.960 0.001 0.000 0.254 29 G HA3 -0.268 3.692 3.960 0.001 0.000 0.254 29 G C 0.765 175.802 174.900 0.228 0.000 0.988 29 G CA 0.131 45.328 45.100 0.162 0.000 0.625 29 G HN 0.587 nan 8.290 nan 0.000 0.527 30 E N 0.216 120.469 120.200 0.089 0.000 2.201 30 E HA 0.377 4.727 4.350 0.001 0.000 0.193 30 E C 1.296 177.833 176.600 -0.105 0.000 0.957 30 E CA 1.211 57.645 56.400 0.057 0.000 0.858 30 E CB 0.823 30.510 29.700 -0.022 0.000 0.816 30 E HN 1.225 nan 8.360 nan 0.000 0.475 31 G N 0.784 109.321 108.800 -0.440 0.000 2.655 31 G HA2 0.463 4.424 3.960 0.001 0.000 0.296 31 G HA3 0.463 4.424 3.960 0.001 0.000 0.296 31 G C -1.733 172.730 174.900 -0.729 0.000 1.485 31 G CA -0.715 43.856 45.100 -0.881 0.000 0.869 31 G HN 0.036 nan 8.290 nan 0.000 0.540 32 I N 2.058 122.135 120.570 -0.822 0.000 2.378 32 I HA 0.461 4.631 4.170 0.001 0.000 0.291 32 I C -0.057 176.000 176.117 -0.100 0.000 0.992 32 I CA -1.195 59.925 61.300 -0.300 0.000 1.154 32 I CB 1.019 38.953 38.000 -0.109 0.000 1.315 32 I HN 0.323 nan 8.210 nan 0.000 0.448 33 L N 7.479 128.725 121.223 0.038 0.000 2.410 33 L HA 0.171 4.512 4.340 0.001 0.000 0.273 33 L C -0.252 176.688 176.870 0.118 0.000 1.144 33 L CA -0.099 54.789 54.840 0.079 0.000 0.863 33 L CB 0.117 42.259 42.059 0.138 0.000 1.140 33 L HN 0.532 nan 8.230 nan 0.000 0.463 34 F N 2.595 122.441 119.950 -0.174 0.000 2.412 34 F HA 0.574 5.102 4.527 0.001 0.000 0.348 34 F C 0.607 176.368 175.800 -0.065 0.000 1.102 34 F CA -0.383 57.541 58.000 -0.127 0.000 1.196 34 F CB 1.195 39.887 39.000 -0.514 0.000 1.144 34 F HN 0.391 nan 8.300 nan 0.000 0.541 35 G N 4.402 112.719 108.800 -0.806 0.000 2.482 35 G HA2 0.392 4.352 3.960 0.001 0.000 0.317 35 G HA3 0.392 4.352 3.960 0.001 0.000 0.317 35 G C -2.149 172.226 174.900 -0.874 0.000 1.241 35 G CA -0.583 44.127 45.100 -0.649 0.000 0.967 35 G HN 0.889 nan 8.290 nan 0.000 0.482 36 H N 0.875 119.535 119.070 -0.684 0.000 2.782 36 H HA 0.357 4.914 4.556 0.001 0.000 0.347 36 H C -0.940 174.085 175.328 -0.505 0.000 1.038 36 H CA -0.687 55.058 56.048 -0.506 0.000 1.255 36 H CB 2.404 31.984 29.762 -0.303 0.000 1.623 36 H HN 0.469 nan 8.280 nan 0.000 0.525 37 Q N 3.567 122.924 119.800 -0.739 0.000 2.313 37 Q HA 0.058 4.399 4.340 0.001 0.000 0.266 37 Q C -0.192 175.249 176.000 -0.931 0.000 0.989 37 Q CA 0.409 55.640 55.803 -0.954 0.000 0.890 37 Q CB -0.026 27.896 28.738 -1.361 0.000 1.200 37 Q HN 0.762 nan 8.270 nan 0.000 0.396 38 H N 2.250 120.821 119.070 -0.832 0.000 2.770 38 H HA -0.185 4.371 4.556 0.001 0.000 0.309 38 H C 0.641 175.761 175.328 -0.346 0.000 1.206 38 H CA 1.112 56.896 56.048 -0.440 0.000 1.147 38 H CB -1.454 28.207 29.762 -0.168 0.000 1.422 38 H HN 0.789 nan 8.280 nan 0.000 0.420 39 T N -0.631 113.642 114.554 -0.467 0.000 2.867 39 T HA -0.085 4.266 4.350 0.001 0.000 0.268 39 T C 1.950 176.712 174.700 0.104 0.000 1.057 39 T CA 1.917 63.877 62.100 -0.233 0.000 1.136 39 T CB 0.026 68.720 68.868 -0.290 0.000 0.874 39 T HN 0.698 nan 8.240 nan 0.000 0.466 40 T N -1.474 113.226 114.554 0.243 0.000 3.092 40 T HA 0.251 4.602 4.350 0.001 0.000 0.258 40 T C 1.690 176.625 174.700 0.392 0.000 1.031 40 T CA 0.565 62.881 62.100 0.360 0.000 0.925 40 T CB 0.135 69.254 68.868 0.420 0.000 1.036 40 T HN 0.362 nan 8.240 nan 0.000 0.544 41 S N -0.299 115.682 115.700 0.469 0.000 2.524 41 S HA 0.442 4.913 4.470 0.001 0.000 0.222 41 S C -0.156 174.420 174.600 -0.041 0.000 1.040 41 S CA -0.664 57.765 58.200 0.382 0.000 0.915 41 S CB -0.170 63.383 63.200 0.589 0.000 0.831 41 S HN 0.365 nan 8.310 nan 0.000 0.492 42 F N 1.371 121.379 119.950 0.098 0.000 2.518 42 F HA 0.761 5.289 4.527 0.001 0.000 0.323 42 F C 0.481 176.308 175.800 0.045 0.000 1.129 42 F CA -0.402 57.608 58.000 0.016 0.000 0.920 42 F CB 2.269 41.222 39.000 -0.078 0.000 1.160 42 F HN 0.284 nan 8.300 nan 0.000 0.440 43 G N 2.673 111.580 108.800 0.179 0.000 2.720 43 G HA2 0.501 4.461 3.960 0.001 0.000 0.295 43 G HA3 0.501 4.461 3.960 0.001 0.000 0.295 43 G C -0.529 174.405 174.900 0.055 0.000 1.437 43 G CA -0.771 44.402 45.100 0.121 0.000 0.886 43 G HN 0.588 nan 8.290 nan 0.000 0.509 44 L N 0.259 121.481 121.223 -0.003 0.000 2.590 44 L HA 0.191 4.532 4.340 0.001 0.000 0.227 44 L C 2.100 178.943 176.870 -0.045 0.000 1.099 44 L CA 1.068 55.874 54.840 -0.057 0.000 0.872 44 L CB 0.466 42.417 42.059 -0.181 0.000 1.088 44 L HN 0.709 nan 8.230 nan 0.000 0.479 45 T N -5.742 108.797 114.554 -0.025 0.000 3.043 45 T HA 0.015 4.365 4.350 0.001 0.000 0.272 45 T C 1.469 176.169 174.700 -0.000 0.000 0.990 45 T CA 0.532 62.621 62.100 -0.018 0.000 0.897 45 T CB 0.045 68.898 68.868 -0.025 0.000 1.111 45 T HN 0.201 nan 8.240 nan 0.000 0.529 46 T N -1.191 113.372 114.554 0.014 0.000 3.035 46 T HA 0.500 4.851 4.350 0.001 0.000 0.259 46 T C 1.583 176.297 174.700 0.024 0.000 1.078 46 T CA 0.540 62.657 62.100 0.029 0.000 1.132 46 T CB -0.608 68.293 68.868 0.054 0.000 0.900 46 T HN 1.209 nan 8.240 nan 0.000 0.480 47 G N 2.533 111.341 108.800 0.014 0.000 2.693 47 G HA2 -0.066 3.895 3.960 0.001 0.000 0.226 47 G HA3 -0.066 3.895 3.960 0.001 0.000 0.226 47 G C -2.728 172.177 174.900 0.009 0.000 1.354 47 G CA -0.598 44.508 45.100 0.010 0.000 0.873 47 G HN 0.546 nan 8.290 nan 0.000 0.562 48 P HA 0.331 nan 4.420 nan 0.000 0.267 48 P C 0.556 177.865 177.300 0.015 0.000 1.205 48 P CA 0.810 63.909 63.100 -0.002 0.000 0.765 48 P CB 0.412 32.112 31.700 -0.000 0.000 0.828 49 T N -0.858 113.705 114.554 0.015 0.000 2.922 49 T HA 0.426 4.777 4.350 0.001 0.000 0.285 49 T C 0.302 175.059 174.700 0.096 0.000 1.005 49 T CA -0.510 61.625 62.100 0.059 0.000 1.061 49 T CB 0.968 69.879 68.868 0.072 0.000 1.007 49 T HN 0.456 nan 8.240 nan 0.000 0.502 50 D N -1.269 119.166 120.400 0.058 0.000 2.602 50 D HA 0.251 4.892 4.640 0.001 0.000 0.265 50 D C 1.279 177.360 176.300 -0.365 0.000 1.454 50 D CA 0.002 54.008 54.000 0.009 0.000 0.795 50 D CB -0.509 40.295 40.800 0.006 0.000 1.140 50 D HN 1.119 nan 8.370 nan 0.000 0.486 51 G N 0.384 108.847 108.800 -0.562 0.000 2.157 51 G HA2 -0.309 3.651 3.960 0.001 0.000 0.248 51 G HA3 -0.309 3.651 3.960 0.001 0.000 0.248 51 G C 0.948 175.697 174.900 -0.252 0.000 0.979 51 G CA 0.956 45.531 45.100 -0.875 0.000 0.650 51 G HN 0.862 nan 8.290 nan 0.000 0.529 52 T N -2.867 111.650 114.554 -0.061 0.000 3.016 52 T HA 0.480 4.830 4.350 0.001 0.000 0.271 52 T C 0.768 175.646 174.700 0.297 0.000 0.968 52 T CA 1.368 63.504 62.100 0.059 0.000 0.891 52 T CB 0.748 69.629 68.868 0.021 0.000 1.149 52 T HN 1.395 nan 8.240 nan 0.000 0.524 53 T N -0.318 114.404 114.554 0.280 0.000 2.887 53 T HA 0.742 5.092 4.350 0.001 0.000 0.288 53 T C -0.801 174.072 174.700 0.287 0.000 1.021 53 T CA -0.724 61.550 62.100 0.291 0.000 1.000 53 T CB 2.047 71.002 68.868 0.145 0.000 1.034 53 T HN 0.168 nan 8.240 nan 0.000 0.467 54 S N 0.358 116.154 115.700 0.159 0.000 2.536 54 S HA 0.370 4.840 4.470 0.001 0.000 0.271 54 S C 0.120 174.731 174.600 0.018 0.000 1.134 54 S CA -0.635 57.638 58.200 0.122 0.000 0.897 54 S CB 1.655 64.954 63.200 0.166 0.000 1.094 54 S HN 0.702 nan 8.310 nan 0.000 0.473 55 D N 2.538 122.981 120.400 0.071 0.000 2.149 55 D HA -0.106 4.534 4.640 0.001 0.000 0.198 55 D C 2.024 178.324 176.300 0.001 0.000 0.990 55 D CA 1.269 55.283 54.000 0.023 0.000 0.839 55 D CB -0.141 40.678 40.800 0.031 0.000 0.948 55 D HN 0.348 nan 8.370 nan 0.000 0.460 56 V N 0.801 120.743 119.914 0.046 0.000 2.295 56 V HA -0.262 3.859 4.120 0.001 0.000 0.246 56 V C 2.386 178.494 176.094 0.024 0.000 1.049 56 V CA 1.675 64.055 62.300 0.133 0.000 1.024 56 V CB -0.427 31.590 31.823 0.324 0.000 0.648 56 V HN 0.109 nan 8.190 nan 0.000 0.447 57 K N 1.193 121.482 120.400 -0.185 0.000 2.032 57 K HA -0.182 4.138 4.320 0.001 0.000 0.209 57 K C 1.789 178.260 176.600 -0.214 0.000 1.048 57 K CA 1.949 57.998 56.287 -0.397 0.000 0.927 57 K CB -0.529 31.362 32.500 -1.015 0.000 0.712 57 K HN 0.435 nan 8.250 nan 0.000 0.441 58 N N -0.091 118.523 118.700 -0.144 0.000 2.244 58 N HA -0.109 4.632 4.740 0.001 0.000 0.183 58 N C 1.526 177.005 175.510 -0.051 0.000 1.016 58 N CA 1.557 54.558 53.050 -0.081 0.000 0.866 58 N CB -0.011 38.445 38.487 -0.051 0.000 0.980 58 N HN 0.351 nan 8.380 nan 0.000 0.430 59 V N -2.684 117.213 119.914 -0.029 0.000 3.565 59 V HA 0.222 4.342 4.120 0.001 0.000 0.260 59 V C 1.721 177.805 176.094 -0.017 0.000 1.231 59 V CA 1.307 63.608 62.300 0.002 0.000 1.100 59 V CB 0.017 31.869 31.823 0.047 0.000 0.807 59 V HN 0.314 nan 8.190 nan 0.000 0.454 60 T N -4.091 110.425 114.554 -0.063 0.000 2.959 60 T HA 0.444 4.795 4.350 0.001 0.000 0.254 60 T C 1.733 176.310 174.700 -0.205 0.000 1.003 60 T CA 1.137 63.124 62.100 -0.188 0.000 0.950 60 T CB 0.594 69.242 68.868 -0.366 0.000 1.090 60 T HN 1.610 nan 8.240 nan 0.000 0.503 61 G N 0.831 109.541 108.800 -0.150 0.000 2.157 61 G HA2 -0.142 3.819 3.960 0.001 0.000 0.248 61 G HA3 -0.142 3.819 3.960 0.001 0.000 0.248 61 G C -0.363 174.473 174.900 -0.106 0.000 0.979 61 G CA 0.189 45.215 45.100 -0.123 0.000 0.650 61 G HN 0.797 nan 8.290 nan 0.000 0.529 62 D N -1.080 119.248 120.400 -0.121 0.000 2.753 62 D HA 0.584 5.225 4.640 0.001 0.000 0.224 62 D C -0.031 176.349 176.300 0.133 0.000 1.213 62 D CA -0.675 53.346 54.000 0.036 0.000 0.833 62 D CB 0.926 41.763 40.800 0.062 0.000 1.607 62 D HN -0.080 nan 8.370 nan 0.000 0.463 63 F N 2.142 122.261 119.950 0.281 0.000 2.490 63 F HA 0.268 4.795 4.527 0.001 0.000 0.336 63 F C -1.182 174.852 175.800 0.391 0.000 1.178 63 F CA -0.741 57.434 58.000 0.292 0.000 1.301 63 F CB 0.271 39.471 39.000 0.333 0.000 1.175 63 F HN 0.096 nan 8.300 nan 0.000 0.593 64 P HA 0.012 nan 4.420 nan 0.000 0.270 64 P C -0.335 177.067 177.300 0.169 0.000 1.223 64 P CA 0.043 63.259 63.100 0.195 0.000 0.785 64 P CB 0.727 32.386 31.700 -0.069 0.000 0.923 65 A N 2.066 124.922 122.820 0.060 0.000 2.014 65 A HA 0.066 4.387 4.320 0.001 0.000 0.218 65 A C 0.921 178.602 177.584 0.162 0.000 1.163 65 A CA 1.169 53.297 52.037 0.152 0.000 0.652 65 A CB -0.377 18.681 19.000 0.097 0.000 0.808 65 A HN 0.417 nan 8.150 nan 0.000 0.449 66 V N 0.427 120.353 119.914 0.020 0.000 2.409 66 V HA 0.437 4.558 4.120 0.001 0.000 0.291 66 V C -1.314 174.732 176.094 -0.080 0.000 1.020 66 V CA -0.563 61.722 62.300 -0.025 0.000 0.848 66 V CB 1.129 32.813 31.823 -0.231 0.000 0.990 66 V HN 0.294 nan 8.190 nan 0.000 0.430 67 F N 3.052 122.873 119.950 -0.214 0.000 2.385 67 F HA 0.692 5.219 4.527 0.001 0.000 0.360 67 F C 0.950 176.340 175.800 -0.683 0.000 1.122 67 F CA -0.611 57.138 58.000 -0.419 0.000 1.090 67 F CB 1.576 40.442 39.000 -0.223 0.000 1.150 67 F HN 0.535 nan 8.300 nan 0.000 0.472 68 G N 2.570 110.919 108.800 -0.751 0.000 2.371 68 G HA2 0.534 4.494 3.960 0.001 0.000 0.326 68 G HA3 0.534 4.494 3.960 0.001 0.000 0.326 68 G C -1.655 172.619 174.900 -1.044 0.000 1.127 68 G CA -0.444 44.243 45.100 -0.689 0.000 0.885 68 G HN 0.663 nan 8.290 nan 0.000 0.477 69 W N -0.672 120.495 121.300 -0.222 0.000 3.060 69 W HA 0.610 5.270 4.660 0.001 0.000 0.346 69 W C -0.636 175.755 176.519 -0.213 0.000 1.194 69 W CA -0.773 56.360 57.345 -0.353 0.000 1.105 69 W CB 2.068 31.526 29.460 -0.004 0.000 1.487 69 W HN 0.382 nan 8.180 nan 0.000 0.592 70 D N -0.596 119.836 120.400 0.054 0.000 2.756 70 D HA 0.115 4.756 4.640 0.001 0.000 0.226 70 D C 0.790 177.224 176.300 0.222 0.000 1.186 70 D CA -0.221 53.873 54.000 0.158 0.000 0.845 70 D CB 2.550 43.417 40.800 0.113 0.000 1.610 70 D HN 0.493 nan 8.370 nan 0.000 0.465 71 T N 0.154 114.904 114.554 0.327 0.000 3.098 71 T HA -0.036 4.315 4.350 0.001 0.000 0.266 71 T C 2.128 176.983 174.700 0.259 0.000 1.145 71 T CA 0.418 62.731 62.100 0.354 0.000 1.092 71 T CB -0.173 68.914 68.868 0.364 0.000 0.908 71 T HN 0.388 nan 8.240 nan 0.000 0.526 72 L N -0.010 121.343 121.223 0.218 0.000 2.187 72 L HA -0.031 4.310 4.340 0.001 0.000 0.213 72 L C 2.499 179.437 176.870 0.114 0.000 1.100 72 L CA 1.110 56.062 54.840 0.187 0.000 0.765 72 L CB -0.589 41.563 42.059 0.156 0.000 0.904 72 L HN 0.338 nan 8.230 nan 0.000 0.437 73 I N -0.220 120.363 120.570 0.021 0.000 2.179 73 I HA -0.335 3.836 4.170 0.001 0.000 0.242 73 I C 2.365 178.482 176.117 -0.001 0.000 1.088 73 I CA 1.539 62.774 61.300 -0.108 0.000 1.357 73 I CB -0.286 37.355 38.000 -0.598 0.000 1.051 73 I HN 0.156 nan 8.210 nan 0.000 0.409 74 I N 0.716 121.350 120.570 0.106 0.000 2.163 74 I HA -0.299 3.872 4.170 0.001 0.000 0.243 74 I C 2.213 178.365 176.117 0.058 0.000 1.085 74 I CA 1.640 62.993 61.300 0.089 0.000 1.347 74 I CB -0.593 37.431 38.000 0.040 0.000 1.044 74 I HN 0.273 nan 8.210 nan 0.000 0.408 75 E N 0.711 120.970 120.200 0.099 0.000 2.409 75 E HA -0.069 4.282 4.350 0.001 0.000 0.198 75 E C 1.561 178.222 176.600 0.102 0.000 1.024 75 E CA 0.627 57.107 56.400 0.133 0.000 0.861 75 E CB -0.134 29.696 29.700 0.217 0.000 0.788 75 E HN 0.679 nan 8.360 nan 0.000 0.521 76 G N 1.481 110.323 108.800 0.070 0.000 2.148 76 G HA2 -0.281 3.680 3.960 0.001 0.000 0.254 76 G HA3 -0.281 3.680 3.960 0.001 0.000 0.254 76 G C 0.691 175.631 174.900 0.065 0.000 0.981 76 G CA 0.456 45.585 45.100 0.048 0.000 0.670 76 G HN 0.218 nan 8.290 nan 0.000 0.528 77 N N 0.382 119.139 118.700 0.096 0.000 2.373 77 N HA 0.117 4.858 4.740 0.001 0.000 0.181 77 N C 0.540 176.120 175.510 0.116 0.000 1.082 77 N CA 0.723 53.843 53.050 0.116 0.000 0.885 77 N CB 0.465 39.048 38.487 0.160 0.000 0.977 77 N HN 0.712 nan 8.380 nan 0.000 0.462 78 E N 0.481 120.741 120.200 0.100 0.000 2.292 78 E HA 0.304 4.654 4.350 0.001 0.000 0.272 78 E C -0.479 176.164 176.600 0.071 0.000 0.881 78 E CA -0.792 55.690 56.400 0.137 0.000 0.754 78 E CB 2.223 31.970 29.700 0.080 0.000 1.201 78 E HN -0.110 nan 8.360 nan 0.000 0.425 79 R N 2.379 122.890 120.500 0.017 0.000 2.698 79 R HA 0.028 4.368 4.340 0.001 0.000 0.266 79 R C -1.638 174.583 176.300 -0.132 0.000 1.026 79 R CA -0.963 55.017 56.100 -0.199 0.000 1.102 79 R CB 0.086 30.078 30.300 -0.513 0.000 0.978 79 R HN 0.414 nan 8.270 nan 0.000 0.436 80 P HA -0.034 nan 4.420 nan 0.000 0.237 80 P C 0.568 177.706 177.300 -0.270 0.000 1.178 80 P CA 0.451 63.283 63.100 -0.447 0.000 0.766 80 P CB 0.206 31.300 31.700 -1.010 0.000 0.876 81 G N 0.670 109.345 108.800 -0.208 0.000 2.491 81 G HA2 0.376 4.337 3.960 0.001 0.000 0.242 81 G HA3 0.376 4.337 3.960 0.001 0.000 0.242 81 G C -0.660 174.202 174.900 -0.063 0.000 1.266 81 G CA -0.179 44.854 45.100 -0.111 0.000 0.844 81 G HN 0.121 nan 8.290 nan 0.000 0.571 82 L N 1.034 122.236 121.223 -0.035 0.000 2.381 82 L HA 0.438 4.779 4.340 0.001 0.000 0.268 82 L C 1.363 178.238 176.870 0.009 0.000 0.997 82 L CA -1.036 53.796 54.840 -0.015 0.000 0.818 82 L CB 2.181 44.227 42.059 -0.021 0.000 1.310 82 L HN 0.638 nan 8.230 nan 0.000 0.416 83 A N 1.421 124.254 122.820 0.022 0.000 1.972 83 A HA -0.160 4.160 4.320 0.001 0.000 0.219 83 A C 1.844 179.445 177.584 0.028 0.000 1.169 83 A CA 1.753 53.811 52.037 0.035 0.000 0.635 83 A CB -0.465 18.560 19.000 0.041 0.000 0.810 83 A HN 0.927 nan 8.150 nan 0.000 0.446 84 E N -0.305 119.906 120.200 0.018 0.000 2.427 84 E HA -0.057 4.293 4.350 0.001 0.000 0.196 84 E C -0.115 176.492 176.600 0.012 0.000 1.028 84 E CA 0.101 56.510 56.400 0.015 0.000 0.864 84 E CB -0.239 29.467 29.700 0.010 0.000 0.813 84 E HN 0.452 nan 8.360 nan 0.000 0.514 85 N N 1.975 120.681 118.700 0.009 0.000 2.493 85 N HA 0.085 4.826 4.740 0.001 0.000 0.275 85 N C -0.324 175.194 175.510 0.012 0.000 1.186 85 N CA 0.061 53.114 53.050 0.005 0.000 0.978 85 N CB 1.421 39.905 38.487 -0.005 0.000 1.184 85 N HN 0.208 nan 8.380 nan 0.000 0.487 86 T N -1.820 112.739 114.554 0.009 0.000 2.813 86 T HA 0.210 4.561 4.350 0.001 0.000 0.297 86 T C 1.263 175.969 174.700 0.010 0.000 1.036 86 T CA -0.331 61.776 62.100 0.012 0.000 1.044 86 T CB 0.805 69.678 68.868 0.008 0.000 0.993 86 T HN 0.343 nan 8.240 nan 0.000 0.535 87 R N 0.781 121.289 120.500 0.014 0.000 2.120 87 R HA -0.088 4.253 4.340 0.001 0.000 0.234 87 R C 1.746 178.044 176.300 -0.004 0.000 1.123 87 R CA 1.733 57.838 56.100 0.009 0.000 0.975 87 R CB -0.495 29.810 30.300 0.009 0.000 0.866 87 R HN 0.719 nan 8.270 nan 0.000 0.446 88 D N 0.594 120.989 120.400 -0.009 0.000 2.144 88 D HA -0.163 4.477 4.640 0.001 0.000 0.199 88 D C 1.952 178.240 176.300 -0.019 0.000 0.984 88 D CA 1.425 55.414 54.000 -0.019 0.000 0.834 88 D CB -0.015 40.774 40.800 -0.018 0.000 0.955 88 D HN 0.465 nan 8.370 nan 0.000 0.465 89 E N 0.175 120.367 120.200 -0.014 0.000 2.158 89 E HA -0.109 4.241 4.350 0.001 0.000 0.191 89 E C 1.400 177.987 176.600 -0.021 0.000 0.982 89 E CA 0.546 56.936 56.400 -0.018 0.000 0.823 89 E CB -0.195 29.496 29.700 -0.015 0.000 0.766 89 E HN 0.143 nan 8.360 nan 0.000 0.468 90 N N 1.566 120.258 118.700 -0.015 0.000 2.120 90 N HA -0.105 4.636 4.740 0.001 0.000 0.188 90 N C 2.017 177.539 175.510 0.019 0.000 1.024 90 N CA 1.091 54.132 53.050 -0.014 0.000 0.852 90 N CB -0.257 38.230 38.487 0.001 0.000 1.003 90 N HN 0.265 nan 8.380 nan 0.000 0.424 91 I N 1.078 121.661 120.570 0.022 0.000 2.226 91 I HA -0.252 3.919 4.170 0.001 0.000 0.245 91 I C 2.281 178.388 176.117 -0.017 0.000 1.100 91 I CA 1.059 62.367 61.300 0.014 0.000 1.374 91 I CB -0.279 37.694 38.000 -0.045 0.000 1.057 91 I HN 0.067 nan 8.210 nan 0.000 0.413 92 A N 0.785 123.588 122.820 -0.029 0.000 1.902 92 A HA -0.166 4.154 4.320 0.001 0.000 0.217 92 A C 2.295 179.863 177.584 -0.027 0.000 1.181 92 A CA 1.474 53.489 52.037 -0.036 0.000 0.623 92 A CB -0.810 18.171 19.000 -0.032 0.000 0.818 92 A HN 0.385 nan 8.150 nan 0.000 0.443 93 L N -2.115 119.085 121.223 -0.038 0.000 2.056 93 L HA -0.125 4.216 4.340 0.001 0.000 0.207 93 L C 2.482 179.271 176.870 -0.135 0.000 1.078 93 L CA 1.194 55.980 54.840 -0.091 0.000 0.749 93 L CB -0.546 41.412 42.059 -0.168 0.000 0.901 93 L HN 0.422 nan 8.230 nan 0.000 0.433 94 F N 1.163 120.932 119.950 -0.301 0.000 2.095 94 F HA -0.258 4.270 4.527 0.001 0.000 0.298 94 F C 2.476 178.069 175.800 -0.345 0.000 1.104 94 F CA 1.247 59.021 58.000 -0.377 0.000 1.232 94 F CB -0.724 38.113 39.000 -0.272 0.000 0.987 94 F HN 0.027 nan 8.300 nan 0.000 0.475 95 A N -0.450 122.344 122.820 -0.042 0.000 1.933 95 A HA -0.231 4.090 4.320 0.001 0.000 0.218 95 A C 1.974 179.511 177.584 -0.079 0.000 1.175 95 A CA 1.853 53.808 52.037 -0.137 0.000 0.628 95 A CB -1.183 17.730 19.000 -0.145 0.000 0.814 95 A HN 0.452 nan 8.150 nan 0.000 0.444 96 D N -1.653 118.741 120.400 -0.010 0.000 2.104 96 D HA -0.201 4.440 4.640 0.001 0.000 0.194 96 D C 1.588 177.938 176.300 0.083 0.000 0.994 96 D CA 1.569 55.596 54.000 0.046 0.000 0.830 96 D CB -0.239 40.631 40.800 0.117 0.000 0.959 96 D HN 0.478 nan 8.370 nan 0.000 0.452 97 Y N 0.253 120.431 120.300 -0.205 0.000 2.314 97 Y HA 0.066 4.617 4.550 0.001 0.000 0.293 97 Y C 2.270 177.998 175.900 -0.288 0.000 1.129 97 Y CA 0.351 58.291 58.100 -0.267 0.000 1.201 97 Y CB -0.400 37.757 38.460 -0.505 0.000 0.999 97 Y HN 0.110 nan 8.280 nan 0.000 0.541 98 I N -0.557 119.890 120.570 -0.205 0.000 2.252 98 I HA -0.319 3.851 4.170 0.001 0.000 0.245 98 I C 2.329 178.363 176.117 -0.138 0.000 1.102 98 I CA 1.241 62.450 61.300 -0.152 0.000 1.385 98 I CB -0.285 37.596 38.000 -0.199 0.000 1.064 98 I HN 0.098 nan 8.210 nan 0.000 0.414 99 R N 0.882 121.299 120.500 -0.138 0.000 2.081 99 R HA -0.177 4.164 4.340 0.001 0.000 0.235 99 R C 2.293 178.490 176.300 -0.172 0.000 1.131 99 R CA 1.455 57.466 56.100 -0.149 0.000 0.960 99 R CB -0.214 30.015 30.300 -0.118 0.000 0.856 99 R HN 0.305 nan 8.270 nan 0.000 0.436 100 K N 0.138 120.437 120.400 -0.167 0.000 2.057 100 K HA -0.081 4.240 4.320 0.001 0.000 0.207 100 K C 2.174 178.584 176.600 -0.317 0.000 1.049 100 K CA 1.358 57.520 56.287 -0.208 0.000 0.931 100 K CB -0.162 32.213 32.500 -0.209 0.000 0.714 100 K HN 0.158 nan 8.250 nan 0.000 0.440 101 A N 1.690 124.271 122.820 -0.397 0.000 1.883 101 A HA -0.274 4.046 4.320 0.001 0.000 0.217 101 A C 1.911 179.109 177.584 -0.644 0.000 1.186 101 A CA 2.204 53.688 52.037 -0.922 0.000 0.624 101 A CB -0.733 17.677 19.000 -0.984 0.000 0.822 101 A HN 0.424 nan 8.150 nan 0.000 0.444 102 D N -0.459 119.716 120.400 -0.375 0.000 2.117 102 D HA -0.038 4.603 4.640 0.001 0.000 0.197 102 D C 1.979 178.142 176.300 -0.227 0.000 0.987 102 D CA 1.644 55.474 54.000 -0.283 0.000 0.829 102 D CB -0.182 40.444 40.800 -0.290 0.000 0.961 102 D HN 0.350 nan 8.370 nan 0.000 0.460 103 A N 0.032 122.721 122.820 -0.219 0.000 1.933 103 A HA -0.099 4.222 4.320 0.001 0.000 0.218 103 A C 2.345 179.839 177.584 -0.149 0.000 1.175 103 A CA 1.059 52.999 52.037 -0.162 0.000 0.628 103 A CB -0.790 18.122 19.000 -0.148 0.000 0.814 103 A HN 0.409 nan 8.150 nan 0.000 0.444 104 I N -1.397 119.038 120.570 -0.225 0.000 2.361 104 I HA -0.081 4.090 4.170 0.001 0.000 0.251 104 I C 1.813 177.895 176.117 -0.058 0.000 1.133 104 I CA 1.334 62.514 61.300 -0.200 0.000 1.413 104 I CB -0.055 37.698 38.000 -0.412 0.000 1.073 104 I HN 0.529 nan 8.210 nan 0.000 0.424 105 G N 0.045 108.807 108.800 -0.063 0.000 2.183 105 G HA2 -0.126 3.834 3.960 0.001 0.000 0.168 105 G HA3 -0.126 3.834 3.960 0.001 0.000 0.168 105 G C 0.431 175.397 174.900 0.111 0.000 1.008 105 G CA -0.357 44.772 45.100 0.048 0.000 0.677 105 G HN 0.582 nan 8.290 nan 0.000 0.498 106 G N -0.759 108.068 108.800 0.045 0.000 2.528 106 G HA2 0.631 4.591 3.960 0.001 0.000 0.289 106 G HA3 0.631 4.591 3.960 0.001 0.000 0.289 106 G C -0.089 174.907 174.900 0.160 0.000 1.192 106 G CA -0.079 45.126 45.100 0.176 0.000 0.921 106 G HN 0.870 nan 8.290 nan 0.000 0.512 107 V N 1.632 121.674 119.914 0.213 0.000 2.427 107 V HA 0.250 4.371 4.120 0.001 0.000 0.286 107 V C -0.101 176.081 176.094 0.147 0.000 1.034 107 V CA -1.034 61.384 62.300 0.197 0.000 0.893 107 V CB 1.352 33.233 31.823 0.096 0.000 0.982 107 V HN 0.633 nan 8.190 nan 0.000 0.452 108 N N 2.266 121.055 118.700 0.148 0.000 2.438 108 N HA 0.399 5.139 4.740 0.001 0.000 0.282 108 N C -0.409 175.172 175.510 0.117 0.000 1.037 108 N CA -0.067 53.102 53.050 0.198 0.000 0.942 108 N CB 2.059 40.699 38.487 0.255 0.000 1.136 108 N HN 0.687 nan 8.380 nan 0.000 0.481 109 T N 0.626 115.240 114.554 0.099 0.000 2.900 109 T HA 0.542 4.892 4.350 0.001 0.000 0.295 109 T C -1.233 173.554 174.700 0.145 0.000 1.044 109 T CA -0.500 61.629 62.100 0.047 0.000 0.995 109 T CB 1.064 69.895 68.868 -0.062 0.000 1.072 109 T HN 0.058 nan 8.240 nan 0.000 0.473 110 V N 4.407 124.398 119.914 0.129 0.000 2.525 110 V HA 0.586 4.706 4.120 0.001 0.000 0.299 110 V C 0.159 176.312 176.094 0.098 0.000 1.034 110 V CA -0.807 61.629 62.300 0.227 0.000 0.863 110 V CB 1.819 33.818 31.823 0.294 0.000 0.999 110 V HN 1.101 nan 8.190 nan 0.000 0.423 111 S N 3.323 119.059 115.700 0.060 0.000 2.758 111 S HA 0.936 5.407 4.470 0.001 0.000 0.292 111 S C -0.115 174.461 174.600 -0.040 0.000 1.131 111 S CA -0.317 57.812 58.200 -0.119 0.000 0.997 111 S CB 2.192 65.299 63.200 -0.155 0.000 1.111 111 S HN 1.443 nan 8.310 nan 0.000 0.552 112 A N 0.951 123.627 122.820 -0.241 0.000 2.702 112 A HA 0.517 4.838 4.320 0.001 0.000 0.305 112 A C -1.173 176.205 177.584 -0.342 0.000 1.213 112 A CA -0.655 51.274 52.037 -0.179 0.000 0.745 112 A CB -0.319 18.517 19.000 -0.272 0.000 1.161 112 A HN 0.837 nan 8.150 nan 0.000 0.445 113 H N 1.267 120.211 119.070 -0.210 0.000 3.045 113 H HA 0.297 4.854 4.556 0.001 0.000 0.254 113 H C 0.183 175.517 175.328 0.011 0.000 1.747 113 H CA 0.229 56.088 56.048 -0.316 0.000 1.444 113 H CB -0.170 29.051 29.762 -0.902 0.000 1.778 113 H HN 0.343 nan 8.280 nan 0.000 0.544 114 V N 3.294 123.219 119.914 0.018 0.000 2.572 114 V HA -0.033 4.087 4.120 0.001 0.000 0.291 114 V C 0.931 177.252 176.094 0.379 0.000 1.039 114 V CA -0.615 61.693 62.300 0.014 0.000 1.055 114 V CB 0.279 31.936 31.823 -0.276 0.000 0.969 114 V HN 0.744 nan 8.190 nan 0.000 0.482 115 E N 4.201 124.482 120.200 0.134 0.000 2.437 115 E HA -0.083 4.268 4.350 0.001 0.000 0.263 115 E C 0.040 176.584 176.600 -0.094 0.000 1.030 115 E CA -0.470 55.990 56.400 0.101 0.000 0.934 115 E CB 0.389 30.093 29.700 0.007 0.000 0.943 115 E HN 0.585 nan 8.360 nan 0.000 0.444 116 N N 2.809 121.481 118.700 -0.047 0.000 2.402 116 N HA -0.021 4.720 4.740 0.001 0.000 0.259 116 N C -0.079 175.181 175.510 -0.416 0.000 1.167 116 N CA -0.108 52.657 53.050 -0.474 0.000 0.949 116 N CB -0.131 38.163 38.487 -0.322 0.000 1.212 116 N HN 0.439 nan 8.380 nan 0.000 0.493 117 F N 2.283 122.041 119.950 -0.320 0.000 2.161 117 F HA -0.188 4.339 4.527 0.001 0.000 0.300 117 F C 2.228 177.860 175.800 -0.281 0.000 1.089 117 F CA 0.701 58.591 58.000 -0.183 0.000 1.282 117 F CB -0.419 38.503 39.000 -0.131 0.000 1.010 117 F HN 0.316 nan 8.300 nan 0.000 0.485 118 V N -0.363 119.334 119.914 -0.362 0.000 2.323 118 V HA -0.227 3.894 4.120 0.001 0.000 0.244 118 V C 2.407 178.387 176.094 -0.190 0.000 1.041 118 V CA 2.314 64.319 62.300 -0.493 0.000 1.025 118 V CB -1.128 30.375 31.823 -0.532 0.000 0.656 118 V HN 0.531 nan 8.190 nan 0.000 0.451 119 T N -3.185 111.269 114.554 -0.166 0.000 3.037 119 T HA 0.296 4.646 4.350 0.001 0.000 0.251 119 T C 1.606 176.283 174.700 -0.037 0.000 1.079 119 T CA 1.005 63.054 62.100 -0.085 0.000 1.067 119 T CB 0.693 69.506 68.868 -0.091 0.000 0.948 119 T HN 0.972 nan 8.240 nan 0.000 0.496 120 G N 0.795 109.574 108.800 -0.034 0.000 2.184 120 G HA2 -0.102 3.859 3.960 0.001 0.000 0.264 120 G HA3 -0.102 3.859 3.960 0.001 0.000 0.264 120 G C 0.548 175.451 174.900 0.005 0.000 0.975 120 G CA 0.077 45.182 45.100 0.009 0.000 0.642 120 G HN 1.024 nan 8.290 nan 0.000 0.536 121 G N -0.088 108.701 108.800 -0.019 0.000 2.535 121 G HA2 0.672 4.632 3.960 0.001 0.000 0.282 121 G HA3 0.672 4.632 3.960 0.001 0.000 0.282 121 G C 0.759 175.673 174.900 0.024 0.000 1.350 121 G CA 0.919 46.019 45.100 -0.001 0.000 1.039 121 G HN 1.589 nan 8.290 nan 0.000 0.509 122 S N -1.532 114.170 115.700 0.004 0.000 2.686 122 S HA 0.331 4.801 4.470 0.001 0.000 0.270 122 S C 1.336 175.989 174.600 0.088 0.000 1.194 122 S CA 0.184 58.358 58.200 -0.044 0.000 0.990 122 S CB 0.605 63.600 63.200 -0.342 0.000 1.029 122 S HN 0.844 nan 8.310 nan 0.000 0.560 123 F N -1.203 118.915 119.950 0.280 0.000 2.307 123 F HA 0.012 4.539 4.527 0.001 0.000 0.301 123 F C 1.625 177.576 175.800 0.251 0.000 1.076 123 F CA 0.578 58.736 58.000 0.264 0.000 1.383 123 F CB -1.049 38.005 39.000 0.091 0.000 1.055 123 F HN 0.472 nan 8.300 nan 0.000 0.526 124 Y N 0.669 120.907 120.300 -0.103 0.000 2.519 124 Y HA 0.063 4.613 4.550 0.001 0.000 0.287 124 Y C 0.702 176.613 175.900 0.020 0.000 1.128 124 Y CA -0.241 57.873 58.100 0.023 0.000 1.282 124 Y CB -0.770 37.616 38.460 -0.123 0.000 1.027 124 Y HN 0.050 nan 8.280 nan 0.000 0.551 125 D N 0.304 120.808 120.400 0.172 0.000 2.338 125 D HA 0.006 4.646 4.640 0.001 0.000 0.255 125 D C 0.888 177.239 176.300 0.085 0.000 1.237 125 D CA 0.351 54.406 54.000 0.092 0.000 0.883 125 D CB 0.759 41.582 40.800 0.039 0.000 1.087 125 D HN 0.256 nan 8.370 nan 0.000 0.485 126 T N -0.133 114.405 114.554 -0.026 0.000 3.145 126 T HA 0.160 4.510 4.350 0.001 0.000 0.255 126 T C 0.870 175.376 174.700 -0.324 0.000 1.039 126 T CA -0.375 61.568 62.100 -0.262 0.000 0.928 126 T CB -0.241 68.391 68.868 -0.393 0.000 1.029 126 T HN 0.250 nan 8.240 nan 0.000 0.554 127 S N -0.148 115.465 115.700 -0.144 0.000 2.669 127 S HA 0.657 5.128 4.470 0.001 0.000 0.270 127 S C 1.382 175.901 174.600 -0.135 0.000 1.225 127 S CA 0.111 58.247 58.200 -0.107 0.000 0.991 127 S CB 0.897 64.065 63.200 -0.053 0.000 0.987 127 S HN 1.166 nan 8.310 nan 0.000 0.552 128 G N 0.126 108.865 108.800 -0.101 0.000 2.218 128 G HA2 -0.195 3.766 3.960 0.001 0.000 0.216 128 G HA3 -0.195 3.766 3.960 0.001 0.000 0.216 128 G C 0.144 174.975 174.900 -0.114 0.000 0.994 128 G CA 0.423 45.444 45.100 -0.130 0.000 0.637 128 G HN 1.390 nan 8.290 nan 0.000 0.505 129 D N -0.521 119.840 120.400 -0.064 0.000 2.723 129 D HA -0.146 4.494 4.640 0.001 0.000 0.236 129 D C 1.406 177.688 176.300 -0.031 0.000 1.138 129 D CA 1.998 56.000 54.000 0.004 0.000 0.676 129 D CB -1.247 39.569 40.800 0.027 0.000 1.069 129 D HN 0.563 nan 8.370 nan 0.000 0.430 130 T N -0.594 113.887 114.554 -0.122 0.000 2.904 130 T HA -0.084 4.267 4.350 0.001 0.000 0.267 130 T C 2.073 176.745 174.700 -0.048 0.000 1.059 130 T CA 0.858 62.779 62.100 -0.298 0.000 1.137 130 T CB -0.016 68.333 68.868 -0.864 0.000 0.879 130 T HN 0.418 nan 8.240 nan 0.000 0.467 131 L N 0.867 122.271 121.223 0.303 0.000 1.989 131 L HA -0.148 4.193 4.340 0.001 0.000 0.211 131 L C 2.758 179.742 176.870 0.189 0.000 1.071 131 L CA 1.623 56.713 54.840 0.416 0.000 0.749 131 L CB -0.180 42.156 42.059 0.462 0.000 0.890 131 L HN 0.155 nan 8.230 nan 0.000 0.431 132 R N -0.467 120.117 120.500 0.140 0.000 2.115 132 R HA -0.092 4.249 4.340 0.001 0.000 0.230 132 R C 2.215 178.545 176.300 0.049 0.000 1.111 132 R CA 1.071 57.219 56.100 0.080 0.000 0.976 132 R CB -0.396 29.950 30.300 0.076 0.000 0.870 132 R HN 0.469 nan 8.270 nan 0.000 0.445 133 A N 0.984 123.832 122.820 0.045 0.000 2.015 133 A HA -0.085 4.235 4.320 0.001 0.000 0.219 133 A C 2.144 179.776 177.584 0.080 0.000 1.163 133 A CA 1.437 53.509 52.037 0.058 0.000 0.646 133 A CB -0.209 18.802 19.000 0.018 0.000 0.806 133 A HN 0.257 nan 8.150 nan 0.000 0.448 134 V N -2.868 117.090 119.914 0.074 0.000 3.650 134 V HA 0.334 4.455 4.120 0.001 0.000 0.271 134 V C 0.847 177.015 176.094 0.122 0.000 1.281 134 V CA -0.283 62.070 62.300 0.087 0.000 1.120 134 V CB -1.001 30.895 31.823 0.122 0.000 0.856 134 V HN 0.308 nan 8.190 nan 0.000 0.443 135 L N 1.182 122.428 121.223 0.038 0.000 2.482 135 L HA 0.277 4.618 4.340 0.001 0.000 0.273 135 L C -1.960 174.756 176.870 -0.258 0.000 1.228 135 L CA -1.474 53.326 54.840 -0.067 0.000 0.827 135 L CB -0.142 41.874 42.059 -0.072 0.000 1.099 135 L HN 0.087 nan 8.230 nan 0.000 0.494 136 P HA -0.018 nan 4.420 nan 0.000 0.261 136 P C 0.613 177.560 177.300 -0.588 0.000 1.183 136 P CA 1.116 63.674 63.100 -0.904 0.000 0.761 136 P CB 0.510 31.705 31.700 -0.842 0.000 0.785 137 G N 2.122 110.601 108.800 -0.535 0.000 2.195 137 G HA2 -0.168 3.792 3.960 0.001 0.000 0.246 137 G HA3 -0.168 3.792 3.960 0.001 0.000 0.246 137 G C 0.619 175.418 174.900 -0.169 0.000 0.984 137 G CA -0.195 44.729 45.100 -0.292 0.000 0.633 137 G HN 0.878 nan 8.290 nan 0.000 0.525 138 G N 0.235 108.948 108.800 -0.145 0.000 2.539 138 G HA2 0.550 4.511 3.960 0.001 0.000 0.258 138 G HA3 0.550 4.511 3.960 0.001 0.000 0.258 138 G C 1.264 176.170 174.900 0.009 0.000 1.202 138 G CA 0.955 46.034 45.100 -0.034 0.000 0.851 138 G HN 1.284 nan 8.290 nan 0.000 0.556 139 S N -0.232 115.491 115.700 0.039 0.000 2.442 139 S HA -0.115 4.355 4.470 0.001 0.000 0.236 139 S C 1.109 175.657 174.600 -0.087 0.000 1.007 139 S CA 1.064 59.269 58.200 0.008 0.000 0.965 139 S CB -0.209 63.032 63.200 0.069 0.000 0.773 139 S HN 0.694 nan 8.310 nan 0.000 0.504 140 H N -0.877 118.176 119.070 -0.030 0.000 2.512 140 H HA 0.225 4.781 4.556 0.001 0.000 0.276 140 H C 1.072 176.325 175.328 -0.124 0.000 1.126 140 H CA 0.054 56.059 56.048 -0.072 0.000 1.060 140 H CB 0.070 29.791 29.762 -0.069 0.000 1.646 140 H HN 0.549 nan 8.280 nan 0.000 0.571 141 H N 1.599 120.618 119.070 -0.084 0.000 2.387 141 H HA -0.077 4.480 4.556 0.001 0.000 0.299 141 H C 2.159 177.397 175.328 -0.150 0.000 1.099 141 H CA 1.659 57.623 56.048 -0.140 0.000 1.315 141 H CB 0.318 29.989 29.762 -0.152 0.000 1.380 141 H HN 0.387 nan 8.280 nan 0.000 0.513 142 A N 0.317 123.052 122.820 -0.143 0.000 2.019 142 A HA -0.166 4.154 4.320 0.001 0.000 0.219 142 A C 2.195 179.645 177.584 -0.224 0.000 1.164 142 A CA 1.749 53.689 52.037 -0.161 0.000 0.644 142 A CB -0.330 18.629 19.000 -0.067 0.000 0.805 142 A HN 0.654 nan 8.150 nan 0.000 0.449 143 E N -0.819 119.203 120.200 -0.297 0.000 2.107 143 E HA -0.109 4.241 4.350 0.001 0.000 0.191 143 E C 1.882 178.066 176.600 -0.693 0.000 0.982 143 E CA 0.925 57.066 56.400 -0.431 0.000 0.809 143 E CB -0.204 29.208 29.700 -0.479 0.000 0.756 143 E HN 0.496 nan 8.360 nan 0.000 0.459 144 L N 0.648 121.405 121.223 -0.776 0.000 2.012 144 L HA -0.171 4.169 4.340 0.001 0.000 0.210 144 L C 2.130 178.925 176.870 -0.125 0.000 1.073 144 L CA 1.466 56.087 54.840 -0.365 0.000 0.748 144 L CB -0.457 41.511 42.059 -0.151 0.000 0.891 144 L HN -0.018 nan 8.230 nan 0.000 0.431 145 V N 0.171 119.899 119.914 -0.311 0.000 2.287 145 V HA -0.342 3.779 4.120 0.001 0.000 0.248 145 V C 2.821 178.841 176.094 -0.122 0.000 1.053 145 V CA 1.807 63.892 62.300 -0.357 0.000 1.027 145 V CB -1.375 30.225 31.823 -0.371 0.000 0.646 145 V HN 0.644 nan 8.190 nan 0.000 0.447 146 A N -1.309 121.485 122.820 -0.044 0.000 1.902 146 A HA -0.287 4.033 4.320 0.001 0.000 0.217 146 A C 2.149 179.816 177.584 0.138 0.000 1.181 146 A CA 2.162 54.231 52.037 0.053 0.000 0.623 146 A CB -0.829 18.202 19.000 0.052 0.000 0.818 146 A HN 0.623 nan 8.150 nan 0.000 0.443 147 Y N 0.380 120.735 120.300 0.092 0.000 2.181 147 Y HA -0.151 4.400 4.550 0.001 0.000 0.288 147 Y C 2.040 178.041 175.900 0.168 0.000 1.146 147 Y CA 1.880 60.107 58.100 0.211 0.000 1.164 147 Y CB -0.141 38.577 38.460 0.430 0.000 0.982 147 Y HN 0.226 nan 8.280 nan 0.000 0.515 148 L N -0.603 120.810 121.223 0.316 0.000 2.141 148 L HA -0.190 4.150 4.340 0.001 0.000 0.209 148 L C 1.869 178.853 176.870 0.189 0.000 1.094 148 L CA 1.070 56.062 54.840 0.253 0.000 0.763 148 L CB -0.540 41.659 42.059 0.234 0.000 0.908 148 L HN 0.171 nan 8.230 nan 0.000 0.437 149 D N 0.284 120.794 120.400 0.183 0.000 2.117 149 D HA -0.183 4.457 4.640 0.001 0.000 0.197 149 D C 1.739 178.043 176.300 0.008 0.000 0.987 149 D CA 1.206 55.279 54.000 0.123 0.000 0.829 149 D CB -0.123 40.744 40.800 0.111 0.000 0.961 149 D HN 0.263 nan 8.370 nan 0.000 0.460 150 D N 0.143 120.529 120.400 -0.025 0.000 2.144 150 D HA -0.062 4.578 4.640 0.001 0.000 0.200 150 D C 2.285 178.510 176.300 -0.124 0.000 0.978 150 D CA 0.316 54.261 54.000 -0.091 0.000 0.833 150 D CB -0.196 40.516 40.800 -0.147 0.000 0.961 150 D HN 0.278 nan 8.370 nan 0.000 0.470 151 I N 0.992 121.494 120.570 -0.114 0.000 2.226 151 I HA -0.250 3.920 4.170 0.001 0.000 0.245 151 I C 2.425 178.420 176.117 -0.203 0.000 1.100 151 I CA 0.980 62.196 61.300 -0.140 0.000 1.374 151 I CB -0.216 37.719 38.000 -0.109 0.000 1.057 151 I HN -0.069 nan 8.210 nan 0.000 0.413 152 A N 0.241 122.949 122.820 -0.187 0.000 1.933 152 A HA -0.267 4.054 4.320 0.001 0.000 0.218 152 A C 2.316 179.757 177.584 -0.240 0.000 1.175 152 A CA 1.902 53.779 52.037 -0.267 0.000 0.628 152 A CB -0.624 18.259 19.000 -0.194 0.000 0.814 152 A HN 0.501 nan 8.150 nan 0.000 0.444 153 E N -0.512 119.586 120.200 -0.171 0.000 2.077 153 E HA -0.210 4.141 4.350 0.001 0.000 0.193 153 E C 1.939 178.429 176.600 -0.184 0.000 0.989 153 E CA 1.385 57.693 56.400 -0.152 0.000 0.800 153 E CB -0.213 29.422 29.700 -0.109 0.000 0.746 153 E HN 0.492 nan 8.360 nan 0.000 0.452 154 L N 0.889 121.983 121.223 -0.215 0.000 2.012 154 L HA -0.135 4.205 4.340 0.001 0.000 0.210 154 L C 2.300 178.998 176.870 -0.286 0.000 1.073 154 L CA 2.281 56.949 54.840 -0.287 0.000 0.748 154 L CB -0.666 41.150 42.059 -0.405 0.000 0.891 154 L HN 0.161 nan 8.230 nan 0.000 0.431 155 A N -0.789 121.858 122.820 -0.287 0.000 1.908 155 A HA -0.311 4.010 4.320 0.001 0.000 0.218 155 A C 2.093 179.523 177.584 -0.256 0.000 1.181 155 A CA 2.119 53.974 52.037 -0.303 0.000 0.627 155 A CB -1.058 17.548 19.000 -0.656 0.000 0.818 155 A HN 0.625 nan 8.150 nan 0.000 0.445 156 D N -0.794 119.461 120.400 -0.242 0.000 2.234 156 D HA 0.125 4.765 4.640 0.001 0.000 0.205 156 D C 1.821 178.026 176.300 -0.158 0.000 0.962 156 D CA 1.106 54.993 54.000 -0.189 0.000 0.855 156 D CB -0.131 40.565 40.800 -0.172 0.000 0.951 156 D HN 0.334 nan 8.370 nan 0.000 0.500 157 A N -0.547 122.174 122.820 -0.165 0.000 2.167 157 A HA 0.093 4.413 4.320 0.001 0.000 0.214 157 A C 1.384 178.877 177.584 -0.151 0.000 1.151 157 A CA 0.243 52.193 52.037 -0.145 0.000 0.735 157 A CB -0.008 18.907 19.000 -0.141 0.000 0.802 157 A HN 0.120 nan 8.150 nan 0.000 0.467 158 S N 1.201 116.798 115.700 -0.173 0.000 4.139 158 S HA 0.314 4.784 4.470 0.001 0.000 0.215 158 S C 0.089 174.601 174.600 -0.147 0.000 1.390 158 S CA -0.140 57.959 58.200 -0.169 0.000 0.885 158 S CB -0.405 62.687 63.200 -0.181 0.000 1.560 158 S HN 0.471 nan 8.310 nan 0.000 0.449 159 R N 1.340 121.759 120.500 -0.134 0.000 2.670 159 R HA 0.438 4.779 4.340 0.001 0.000 0.289 159 R C 0.072 176.297 176.300 -0.124 0.000 0.965 159 R CA -0.916 55.109 56.100 -0.125 0.000 0.899 159 R CB 1.628 31.863 30.300 -0.108 0.000 1.173 159 R HN 0.356 nan 8.270 nan 0.000 0.456 160 R N 0.846 121.268 120.500 -0.130 0.000 2.801 160 R HA -0.022 4.319 4.340 0.001 0.000 0.273 160 R C 0.339 176.581 176.300 -0.096 0.000 1.080 160 R CA -0.436 55.590 56.100 -0.124 0.000 1.197 160 R CB 0.384 30.604 30.300 -0.133 0.000 1.109 160 R HN 0.609 nan 8.270 nan 0.000 0.535 161 D N 1.339 121.688 120.400 -0.085 0.000 2.149 161 D HA -0.163 4.478 4.640 0.001 0.000 0.198 161 D C 1.190 177.454 176.300 -0.061 0.000 0.990 161 D CA 1.608 55.567 54.000 -0.068 0.000 0.839 161 D CB -0.257 40.507 40.800 -0.060 0.000 0.948 161 D HN 0.571 nan 8.370 nan 0.000 0.460 162 D N -0.980 119.382 120.400 -0.063 0.000 2.363 162 D HA 0.049 4.689 4.640 0.001 0.000 0.226 162 D C 1.526 177.792 176.300 -0.057 0.000 1.020 162 D CA 0.976 54.943 54.000 -0.055 0.000 0.892 162 D CB -0.159 40.611 40.800 -0.051 0.000 0.900 162 D HN 0.250 nan 8.370 nan 0.000 0.531 163 G N -0.692 108.068 108.800 -0.067 0.000 2.195 163 G HA2 -0.265 3.695 3.960 0.001 0.000 0.246 163 G HA3 -0.265 3.695 3.960 0.001 0.000 0.246 163 G C 0.427 175.280 174.900 -0.077 0.000 0.984 163 G CA 0.235 45.294 45.100 -0.069 0.000 0.633 163 G HN 0.460 nan 8.290 nan 0.000 0.525 164 T N 2.309 116.814 114.554 -0.082 0.000 2.867 164 T HA 0.425 4.776 4.350 0.001 0.000 0.297 164 T C 0.969 175.602 174.700 -0.111 0.000 0.989 164 T CA -0.028 62.019 62.100 -0.089 0.000 1.159 164 T CB 0.999 69.811 68.868 -0.093 0.000 0.928 164 T HN 0.360 nan 8.240 nan 0.000 0.538 165 L N 4.134 125.296 121.223 -0.101 0.000 2.462 165 L HA 0.212 4.553 4.340 0.001 0.000 0.272 165 L C 0.503 177.294 176.870 -0.131 0.000 1.166 165 L CA -0.143 54.631 54.840 -0.111 0.000 0.880 165 L CB 0.131 42.134 42.059 -0.094 0.000 1.142 165 L HN 0.558 nan 8.230 nan 0.000 0.473 166 I N 6.061 126.539 120.570 -0.152 0.000 2.396 166 I HA 0.173 4.344 4.170 0.001 0.000 0.289 166 I C -1.937 174.121 176.117 -0.098 0.000 1.056 166 I CA -1.850 59.331 61.300 -0.199 0.000 1.365 166 I CB 0.750 38.622 38.000 -0.214 0.000 1.407 166 I HN 0.339 nan 8.210 nan 0.000 0.509 167 P HA 0.189 nan 4.420 nan 0.000 0.265 167 P C -0.730 176.628 177.300 0.096 0.000 1.193 167 P CA 0.283 63.434 63.100 0.084 0.000 0.765 167 P CB 0.500 32.328 31.700 0.213 0.000 0.823 168 I N 2.243 122.881 120.570 0.114 0.000 2.533 168 I HA 0.205 4.375 4.170 0.001 0.000 0.290 168 I C -0.484 175.591 176.117 -0.070 0.000 1.056 168 I CA -1.153 60.168 61.300 0.035 0.000 1.057 168 I CB 2.328 40.337 38.000 0.015 0.000 1.240 168 I HN -0.056 nan 8.210 nan 0.000 0.423 169 V N 6.304 126.193 119.914 -0.042 0.000 2.356 169 V HA 0.131 4.251 4.120 0.001 0.000 0.258 169 V C -0.246 175.783 176.094 -0.108 0.000 1.065 169 V CA -0.243 62.030 62.300 -0.045 0.000 0.935 169 V CB 0.141 31.999 31.823 0.059 0.000 1.061 169 V HN 0.382 nan 8.190 nan 0.000 0.484 170 F N 6.104 125.742 119.950 -0.520 0.000 2.424 170 F HA 0.485 5.013 4.527 0.001 0.000 0.356 170 F C 0.636 176.328 175.800 -0.180 0.000 1.110 170 F CA -0.868 56.786 58.000 -0.576 0.000 1.161 170 F CB 0.655 38.951 39.000 -1.173 0.000 1.115 170 F HN 0.400 nan 8.300 nan 0.000 0.507 171 R N 8.254 128.419 120.500 -0.558 0.000 2.724 171 R HA 0.373 4.714 4.340 0.001 0.000 0.284 171 R C -2.840 173.101 176.300 -0.598 0.000 1.481 171 R CA -1.859 54.033 56.100 -0.346 0.000 1.652 171 R CB 0.378 30.625 30.300 -0.088 0.000 1.175 171 R HN 0.359 nan 8.270 nan 0.000 0.613 172 P HA 0.076 nan 4.420 nan 0.000 0.279 172 P C -0.876 176.150 177.300 -0.457 0.000 1.252 172 P CA -0.118 62.344 63.100 -1.062 0.000 0.811 172 P CB 0.365 31.235 31.700 -1.384 0.000 1.035 173 W N -0.313 120.728 121.300 -0.432 0.000 5.361 173 W HA -0.210 4.451 4.660 0.001 0.000 0.385 173 W C 0.986 177.668 176.519 0.271 0.000 1.458 173 W CA -0.065 57.006 57.345 -0.457 0.000 0.922 173 W CB -2.880 26.528 29.460 -0.088 0.000 2.606 173 W HN 0.478 nan 8.180 nan 0.000 1.450 174 H N -0.070 119.164 119.070 0.274 0.000 2.547 174 H HA 0.360 4.916 4.556 0.001 0.000 0.362 174 H C 0.971 176.614 175.328 0.524 0.000 1.181 174 H CA 0.257 56.500 56.048 0.325 0.000 1.376 174 H CB 0.653 30.511 29.762 0.161 0.000 1.488 174 H HN 0.448 nan 8.280 nan 0.000 0.583 175 E N 0.202 120.549 120.200 0.245 0.000 2.476 175 E HA -0.250 4.101 4.350 0.001 0.000 0.251 175 E C 0.528 177.075 176.600 -0.088 0.000 1.130 175 E CA 0.729 57.222 56.400 0.154 0.000 0.736 175 E CB -1.032 28.882 29.700 0.357 0.000 1.298 175 E HN 0.859 nan 8.360 nan 0.000 0.400 176 N N -0.495 118.191 118.700 -0.023 0.000 2.463 176 N HA -0.012 4.728 4.740 0.001 0.000 0.181 176 N C 1.561 176.915 175.510 -0.260 0.000 1.078 176 N CA 0.918 53.896 53.050 -0.119 0.000 0.902 176 N CB 0.118 38.502 38.487 -0.171 0.000 0.970 176 N HN 0.271 nan 8.380 nan 0.000 0.451 177 A N 0.493 123.190 122.820 -0.206 0.000 2.119 177 A HA 0.254 4.575 4.320 0.001 0.000 0.217 177 A C 1.322 178.730 177.584 -0.293 0.000 1.153 177 A CA 0.790 52.739 52.037 -0.146 0.000 0.692 177 A CB -0.650 18.388 19.000 0.063 0.000 0.799 177 A HN 0.439 nan 8.150 nan 0.000 0.458 178 G N -2.261 106.172 108.800 -0.613 0.000 2.557 178 G HA2 0.454 4.415 3.960 0.001 0.000 0.302 178 G HA3 0.454 4.415 3.960 0.001 0.000 0.302 178 G C 0.081 174.378 174.900 -1.005 0.000 1.311 178 G CA 0.202 44.668 45.100 -1.056 0.000 1.030 178 G HN 0.129 nan 8.290 nan 0.000 0.509 179 S N -0.452 114.742 115.700 -0.844 0.000 2.843 179 S HA 0.105 4.575 4.470 0.001 0.000 0.249 179 S C 0.692 175.209 174.600 -0.137 0.000 1.047 179 S CA -0.540 57.434 58.200 -0.377 0.000 1.042 179 S CB -0.128 62.914 63.200 -0.263 0.000 0.936 179 S HN 0.732 nan 8.310 nan 0.000 0.531 180 W N -0.148 121.027 121.300 -0.208 0.000 2.770 180 W HA 0.485 5.145 4.660 0.001 0.000 0.256 180 W C -0.269 176.119 176.519 -0.219 0.000 1.291 180 W CA -0.243 56.944 57.345 -0.263 0.000 1.396 180 W CB -0.401 28.811 29.460 -0.414 0.000 1.114 180 W HN 0.040 nan 8.180 nan 0.000 0.637 181 F N 1.358 121.094 119.950 -0.357 0.000 2.470 181 F HA 0.260 4.787 4.527 0.001 0.000 0.329 181 F C 1.521 176.929 175.800 -0.654 0.000 1.072 181 F CA -2.643 54.896 58.000 -0.768 0.000 0.989 181 F CB 0.196 38.058 39.000 -1.897 0.000 1.193 181 F HN 0.023 nan 8.300 nan 0.000 0.481 182 W N 0.568 121.675 121.300 -0.322 0.000 2.525 182 W HA -0.090 4.571 4.660 0.001 0.000 0.259 182 W C 0.641 177.208 176.519 0.079 0.000 1.253 182 W CA 0.412 57.613 57.345 -0.240 0.000 1.262 182 W CB -0.975 28.417 29.460 -0.114 0.000 1.122 182 W HN 0.801 nan 8.180 nan 0.000 0.607 183 W N 2.084 123.410 121.300 0.043 0.000 3.388 183 W HA 0.647 5.307 4.660 0.001 0.000 0.324 183 W C 0.773 177.440 176.519 0.246 0.000 1.250 183 W CA -0.778 56.646 57.345 0.132 0.000 1.809 183 W CB -0.906 28.493 29.460 -0.102 0.000 1.083 183 W HN -0.172 nan 8.180 nan 0.000 0.685 184 G N 0.672 109.549 108.800 0.128 0.000 2.588 184 G HA2 0.329 4.289 3.960 0.001 0.000 0.278 184 G HA3 0.329 4.289 3.960 0.001 0.000 0.278 184 G C 1.021 175.895 174.900 -0.044 0.000 1.307 184 G CA -0.226 44.849 45.100 -0.042 0.000 1.016 184 G HN 0.296 nan 8.290 nan 0.000 0.503 185 A N -0.672 122.011 122.820 -0.229 0.000 2.015 185 A HA 0.231 4.552 4.320 0.001 0.000 0.219 185 A C 2.447 179.855 177.584 -0.294 0.000 1.163 185 A CA 2.153 54.066 52.037 -0.206 0.000 0.646 185 A CB -0.457 18.425 19.000 -0.197 0.000 0.806 185 A HN 1.234 nan 8.150 nan 0.000 0.448 186 A N -1.914 120.535 122.820 -0.619 0.000 2.238 186 A HA 0.289 4.610 4.320 0.001 0.000 0.208 186 A C 1.079 178.192 177.584 -0.785 0.000 1.177 186 A CA 0.539 52.119 52.037 -0.762 0.000 0.804 186 A CB -0.408 18.055 19.000 -0.895 0.000 0.823 186 A HN 0.579 nan 8.150 nan 0.000 0.482 187 Y N -1.082 119.245 120.300 0.044 0.000 2.612 187 Y HA 0.498 5.048 4.550 0.001 0.000 0.250 187 Y C 0.930 176.896 175.900 0.110 0.000 1.175 187 Y CA -0.574 57.579 58.100 0.088 0.000 1.205 187 Y CB 0.359 38.899 38.460 0.135 0.000 1.201 187 Y HN 0.227 nan 8.280 nan 0.000 0.532 188 G N -0.067 108.815 108.800 0.137 0.000 2.633 188 G HA2 0.366 4.327 3.960 0.001 0.000 0.299 188 G HA3 0.366 4.327 3.960 0.001 0.000 0.299 188 G C -0.831 174.127 174.900 0.097 0.000 1.501 188 G CA -0.703 44.481 45.100 0.140 0.000 0.887 188 G HN 0.097 nan 8.290 nan 0.000 0.561 189 S N 2.103 117.854 115.700 0.084 0.000 2.569 189 S HA 0.317 4.787 4.470 0.001 0.000 0.274 189 S C -1.117 173.544 174.600 0.102 0.000 1.353 189 S CA -0.200 58.042 58.200 0.070 0.000 1.023 189 S CB 1.430 64.668 63.200 0.062 0.000 0.876 189 S HN 0.272 nan 8.310 nan 0.000 0.540 190 P HA -0.062 nan 4.420 nan 0.000 0.216 190 P C 1.725 179.109 177.300 0.139 0.000 1.154 190 P CA 1.858 65.027 63.100 0.115 0.000 0.865 190 P CB -0.543 31.203 31.700 0.076 0.000 0.789 191 G N -0.336 108.517 108.800 0.089 0.000 2.422 191 G HA2 -0.243 3.718 3.960 0.001 0.000 0.218 191 G HA3 -0.243 3.718 3.960 0.001 0.000 0.218 191 G C 1.462 176.399 174.900 0.061 0.000 1.146 191 G CA 0.603 45.740 45.100 0.062 0.000 0.769 191 G HN 0.290 nan 8.290 nan 0.000 0.547 192 E N -0.738 119.512 120.200 0.083 0.000 2.072 192 E HA -0.145 4.205 4.350 0.001 0.000 0.191 192 E C 2.051 178.698 176.600 0.078 0.000 0.985 192 E CA 0.943 57.388 56.400 0.074 0.000 0.801 192 E CB -0.269 29.484 29.700 0.090 0.000 0.750 192 E HN 0.580 nan 8.360 nan 0.000 0.452 193 Y N 1.889 122.213 120.300 0.040 0.000 2.181 193 Y HA -0.266 4.285 4.550 0.001 0.000 0.288 193 Y C 2.165 178.082 175.900 0.029 0.000 1.146 193 Y CA 1.810 59.941 58.100 0.052 0.000 1.164 193 Y CB -0.020 38.510 38.460 0.116 0.000 0.982 193 Y HN -0.002 nan 8.280 nan 0.000 0.515 194 Q N -0.153 119.676 119.800 0.049 0.000 2.096 194 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 194 Q C 2.060 177.926 176.000 -0.222 0.000 0.982 194 Q CA 1.664 57.397 55.803 -0.117 0.000 0.850 194 Q CB -0.121 28.563 28.738 -0.090 0.000 0.901 194 Q HN 0.478 nan 8.270 nan 0.000 0.422 195 E N 0.624 120.751 120.200 -0.121 0.000 2.110 195 E HA -0.164 4.186 4.350 0.001 0.000 0.193 195 E C 1.991 178.579 176.600 -0.021 0.000 0.988 195 E CA 0.561 56.931 56.400 -0.049 0.000 0.804 195 E CB -0.255 29.459 29.700 0.024 0.000 0.745 195 E HN 0.208 nan 8.360 nan 0.000 0.458 196 L N 0.192 121.331 121.223 -0.141 0.000 1.989 196 L HA -0.213 4.128 4.340 0.001 0.000 0.211 196 L C 2.335 179.106 176.870 -0.165 0.000 1.071 196 L CA 1.741 56.446 54.840 -0.226 0.000 0.749 196 L CB -0.895 40.830 42.059 -0.556 0.000 0.890 196 L HN 0.079 nan 8.230 nan 0.000 0.431 197 Y N 0.222 120.276 120.300 -0.411 0.000 2.163 197 Y HA -0.223 4.328 4.550 0.001 0.000 0.288 197 Y C 2.740 178.574 175.900 -0.111 0.000 1.136 197 Y CA 1.877 59.877 58.100 -0.166 0.000 1.147 197 Y CB -0.142 38.157 38.460 -0.268 0.000 0.987 197 Y HN 0.147 nan 8.280 nan 0.000 0.509 198 R N -1.104 119.316 120.500 -0.134 0.000 2.083 198 R HA -0.211 4.130 4.340 0.001 0.000 0.237 198 R C 2.204 178.533 176.300 0.049 0.000 1.137 198 R CA 1.869 57.721 56.100 -0.414 0.000 0.951 198 R CB -0.903 28.787 30.300 -1.017 0.000 0.851 198 R HN 0.417 nan 8.270 nan 0.000 0.434 199 F N 1.690 121.695 119.950 0.092 0.000 2.126 199 F HA -0.221 4.306 4.527 0.001 0.000 0.299 199 F C 2.030 177.983 175.800 0.254 0.000 1.096 199 F CA 1.820 59.975 58.000 0.258 0.000 1.255 199 F CB -0.511 38.680 39.000 0.319 0.000 0.997 199 F HN -0.110 nan 8.300 nan 0.000 0.479 200 T N 0.382 115.002 114.554 0.110 0.000 2.684 200 T HA -0.187 4.164 4.350 0.001 0.000 0.267 200 T C 2.178 176.897 174.700 0.032 0.000 1.036 200 T CA 1.841 64.010 62.100 0.115 0.000 1.148 200 T CB -0.798 68.305 68.868 0.392 0.000 0.863 200 T HN 0.155 nan 8.240 nan 0.000 0.436 201 V N 1.510 121.397 119.914 -0.045 0.000 2.255 201 V HA -0.215 3.906 4.120 0.001 0.000 0.247 201 V C 2.495 178.547 176.094 -0.070 0.000 1.051 201 V CA 1.875 64.067 62.300 -0.180 0.000 1.018 201 V CB -0.678 31.027 31.823 -0.196 0.000 0.641 201 V HN 0.539 nan 8.190 nan 0.000 0.445 202 E N -1.071 119.133 120.200 0.006 0.000 2.077 202 E HA -0.261 4.090 4.350 0.001 0.000 0.193 202 E C 2.123 178.644 176.600 -0.132 0.000 0.989 202 E CA 1.765 58.167 56.400 0.003 0.000 0.800 202 E CB -0.309 29.473 29.700 0.137 0.000 0.746 202 E HN 0.718 nan 8.360 nan 0.000 0.452 203 Y N 1.247 121.290 120.300 -0.427 0.000 2.128 203 Y HA -0.228 4.323 4.550 0.001 0.000 0.284 203 Y C 1.908 177.675 175.900 -0.222 0.000 1.154 203 Y CA 1.496 59.327 58.100 -0.447 0.000 1.149 203 Y CB -0.094 37.879 38.460 -0.811 0.000 0.976 203 Y HN -0.046 nan 8.280 nan 0.000 0.505 204 L N -0.468 120.700 121.223 -0.091 0.000 2.027 204 L HA -0.180 4.160 4.340 0.001 0.000 0.206 204 L C 2.755 179.541 176.870 -0.141 0.000 1.074 204 L CA 1.740 56.522 54.840 -0.096 0.000 0.745 204 L CB -0.552 41.559 42.059 0.087 0.000 0.898 204 L HN 0.094 nan 8.230 nan 0.000 0.433 205 R N -0.111 120.360 120.500 -0.049 0.000 2.062 205 R HA -0.125 4.216 4.340 0.001 0.000 0.229 205 R C 1.636 177.878 176.300 -0.097 0.000 1.128 205 R CA 1.728 57.810 56.100 -0.030 0.000 0.960 205 R CB 0.043 30.363 30.300 0.034 0.000 0.855 205 R HN 0.333 nan 8.270 nan 0.000 0.432 206 D N -0.644 119.682 120.400 -0.123 0.000 2.262 206 D HA -0.023 4.617 4.640 0.001 0.000 0.212 206 D C 1.895 178.082 176.300 -0.188 0.000 0.964 206 D CA 0.696 54.624 54.000 -0.121 0.000 0.875 206 D CB 0.234 40.990 40.800 -0.073 0.000 0.996 206 D HN 0.083 nan 8.370 nan 0.000 0.497 207 V N 1.163 120.887 119.914 -0.318 0.000 2.500 207 V HA -0.043 4.078 4.120 0.001 0.000 0.243 207 V C 2.002 177.847 176.094 -0.415 0.000 1.039 207 V CA 1.073 63.129 62.300 -0.407 0.000 1.053 207 V CB -0.037 31.413 31.823 -0.620 0.000 0.695 207 V HN 0.012 nan 8.190 nan 0.000 0.463 208 K N 0.069 120.182 120.400 -0.478 0.000 2.352 208 K HA 0.270 4.591 4.320 0.001 0.000 0.194 208 K C 1.534 177.984 176.600 -0.250 0.000 1.038 208 K CA 0.827 56.897 56.287 -0.362 0.000 1.023 208 K CB 0.112 32.382 32.500 -0.384 0.000 0.840 208 K HN 0.517 nan 8.250 nan 0.000 0.519 209 G N 1.809 110.476 108.800 -0.222 0.000 2.147 209 G HA2 -0.235 3.726 3.960 0.001 0.000 0.244 209 G HA3 -0.235 3.726 3.960 0.001 0.000 0.244 209 G C 0.138 174.931 174.900 -0.179 0.000 1.005 209 G CA 0.225 45.225 45.100 -0.166 0.000 0.713 209 G HN 0.091 nan 8.290 nan 0.000 0.515 210 V N 1.120 120.893 119.914 -0.234 0.000 2.557 210 V HA 0.340 4.460 4.120 0.001 0.000 0.301 210 V C 1.541 177.511 176.094 -0.206 0.000 1.026 210 V CA 1.440 63.544 62.300 -0.327 0.000 1.137 210 V CB 1.308 32.791 31.823 -0.568 0.000 0.917 210 V HN 1.045 nan 8.190 nan 0.000 0.484 211 S N 1.817 117.404 115.700 -0.188 0.000 2.632 211 S HA 0.054 4.524 4.470 0.001 0.000 0.237 211 S C 0.815 175.390 174.600 -0.041 0.000 1.037 211 S CA -0.019 58.133 58.200 -0.080 0.000 1.009 211 S CB 0.016 63.175 63.200 -0.069 0.000 0.974 211 S HN 0.826 nan 8.310 nan 0.000 0.544 212 N N 0.917 119.566 118.700 -0.085 0.000 2.321 212 N HA 0.240 4.981 4.740 0.001 0.000 0.242 212 N C -1.078 174.563 175.510 0.220 0.000 1.141 212 N CA -0.394 52.671 53.050 0.024 0.000 0.864 212 N CB -0.289 38.187 38.487 -0.018 0.000 1.100 212 N HN 0.216 nan 8.380 nan 0.000 0.510 213 F N 1.074 120.956 119.950 -0.114 0.000 2.436 213 F HA 0.532 5.059 4.527 0.001 0.000 0.340 213 F C 0.425 176.086 175.800 -0.231 0.000 1.113 213 F CA -1.641 56.205 58.000 -0.257 0.000 1.022 213 F CB 1.351 40.040 39.000 -0.518 0.000 1.128 213 F HN -0.159 nan 8.300 nan 0.000 0.466 214 L N 3.961 125.146 121.223 -0.064 0.000 2.322 214 L HA 0.411 4.752 4.340 0.001 0.000 0.279 214 L C -1.180 175.598 176.870 -0.153 0.000 1.036 214 L CA -0.980 53.862 54.840 0.004 0.000 0.807 214 L CB 1.409 43.538 42.059 0.116 0.000 1.226 214 L HN 0.436 nan 8.230 nan 0.000 0.433 215 Y N 1.341 121.806 120.300 0.275 0.000 2.331 215 Y HA 0.585 5.136 4.550 0.001 0.000 0.338 215 Y C 0.378 176.492 175.900 0.355 0.000 0.976 215 Y CA -0.590 57.705 58.100 0.325 0.000 1.137 215 Y CB 1.742 40.444 38.460 0.403 0.000 1.172 215 Y HN 0.575 nan 8.280 nan 0.000 0.478 216 A N 3.685 126.766 122.820 0.435 0.000 2.324 216 A HA 0.669 4.990 4.320 0.001 0.000 0.330 216 A C -1.840 176.079 177.584 0.559 0.000 1.165 216 A CA -0.619 51.673 52.037 0.426 0.000 0.813 216 A CB 0.639 19.820 19.000 0.301 0.000 1.197 216 A HN 0.880 nan 8.150 nan 0.000 0.484 217 W N 1.894 123.373 121.300 0.298 0.000 2.830 217 W HA 0.597 5.258 4.660 0.001 0.000 0.335 217 W C -0.291 176.363 176.519 0.226 0.000 1.043 217 W CA -0.360 57.128 57.345 0.238 0.000 1.239 217 W CB 1.697 31.151 29.460 -0.009 0.000 1.378 217 W HN 0.990 nan 8.180 nan 0.000 0.456 218 G N 6.778 115.357 108.800 -0.368 0.000 2.845 218 G HA2 0.325 4.285 3.960 0.001 0.000 0.282 218 G HA3 0.325 4.285 3.960 0.001 0.000 0.282 218 G C -2.217 172.431 174.900 -0.420 0.000 1.546 218 G CA -1.177 43.699 45.100 -0.373 0.000 1.089 218 G HN 0.321 nan 8.290 nan 0.000 0.558 219 P HA 0.164 nan 4.420 nan 0.000 0.236 219 P C 1.095 178.445 177.300 0.084 0.000 1.177 219 P CA 1.306 64.177 63.100 -0.381 0.000 0.773 219 P CB 1.009 32.392 31.700 -0.527 0.000 0.878 220 G N -1.652 107.306 108.800 0.263 0.000 2.347 220 G HA2 0.385 4.345 3.960 0.001 0.000 0.224 220 G HA3 0.385 4.345 3.960 0.001 0.000 0.224 220 G C -1.008 174.137 174.900 0.408 0.000 1.318 220 G CA -0.290 45.004 45.100 0.323 0.000 1.016 220 G HN 0.434 nan 8.290 nan 0.000 0.469 221 G N -2.483 106.372 108.800 0.092 0.000 2.721 221 G HA2 0.733 4.694 3.960 0.001 0.000 0.296 221 G HA3 0.733 4.694 3.960 0.001 0.000 0.296 221 G C 0.750 175.431 174.900 -0.366 0.000 1.383 221 G CA 0.965 46.094 45.100 0.048 0.000 0.788 221 G HN 2.452 nan 8.290 nan 0.000 0.500 222 G N -1.444 107.286 108.800 -0.117 0.000 2.272 222 G HA2 -0.214 3.747 3.960 0.001 0.000 0.280 222 G HA3 -0.214 3.747 3.960 0.001 0.000 0.280 222 G C 0.462 175.226 174.900 -0.228 0.000 1.067 222 G CA 0.752 45.779 45.100 -0.121 0.000 0.902 222 G HN 0.682 nan 8.290 nan 0.000 0.500 223 F N 0.073 120.059 119.950 0.061 0.000 2.743 223 F HA 0.352 4.879 4.527 0.001 0.000 0.297 223 F C 2.219 178.032 175.800 0.022 0.000 1.131 223 F CA 0.773 58.808 58.000 0.058 0.000 1.426 223 F CB 0.318 39.369 39.000 0.084 0.000 1.116 223 F HN 0.770 nan 8.300 nan 0.000 0.583 224 G N 0.402 109.281 108.800 0.131 0.000 2.203 224 G HA2 -0.116 3.845 3.960 0.001 0.000 0.263 224 G HA3 -0.116 3.845 3.960 0.001 0.000 0.263 224 G C 1.293 176.219 174.900 0.044 0.000 1.012 224 G CA 0.267 45.404 45.100 0.062 0.000 0.749 224 G HN 1.151 nan 8.290 nan 0.000 0.512 225 G N -1.022 107.805 108.800 0.044 0.000 2.155 225 G HA2 -0.339 3.621 3.960 0.001 0.000 0.257 225 G HA3 -0.339 3.621 3.960 0.001 0.000 0.257 225 G C 0.288 175.188 174.900 0.002 0.000 0.983 225 G CA 0.787 45.877 45.100 -0.017 0.000 0.676 225 G HN 1.456 nan 8.290 nan 0.000 0.528 226 N N 0.542 119.285 118.700 0.071 0.000 2.402 226 N HA 0.253 4.994 4.740 0.001 0.000 0.259 226 N C 1.732 177.284 175.510 0.070 0.000 1.167 226 N CA -0.181 52.916 53.050 0.079 0.000 0.949 226 N CB 0.195 38.756 38.487 0.124 0.000 1.212 226 N HN 0.502 nan 8.380 nan 0.000 0.493 227 R N 1.832 122.348 120.500 0.026 0.000 2.096 227 R HA -0.102 4.238 4.340 0.001 0.000 0.235 227 R C 0.748 177.093 176.300 0.075 0.000 1.127 227 R CA 1.268 57.390 56.100 0.037 0.000 0.968 227 R CB 0.168 30.470 30.300 0.004 0.000 0.861 227 R HN 0.511 nan 8.270 nan 0.000 0.440 228 D N 0.044 120.483 120.400 0.064 0.000 2.117 228 D HA -0.120 4.521 4.640 0.001 0.000 0.197 228 D C 1.973 178.326 176.300 0.088 0.000 0.987 228 D CA 1.123 55.162 54.000 0.065 0.000 0.829 228 D CB -0.202 40.631 40.800 0.055 0.000 0.961 228 D HN 0.014 nan 8.370 nan 0.000 0.460 229 V N 0.585 120.575 119.914 0.126 0.000 2.307 229 V HA -0.261 3.859 4.120 0.001 0.000 0.245 229 V C 2.247 178.429 176.094 0.147 0.000 1.045 229 V CA 1.398 63.811 62.300 0.188 0.000 1.024 229 V CB -0.709 31.292 31.823 0.296 0.000 0.651 229 V HN 0.164 nan 8.190 nan 0.000 0.449 230 Y N 0.745 120.937 120.300 -0.179 0.000 2.165 230 Y HA -0.181 4.370 4.550 0.001 0.000 0.286 230 Y C 1.951 177.800 175.900 -0.085 0.000 1.155 230 Y CA 1.692 59.429 58.100 -0.604 0.000 1.164 230 Y CB -0.140 37.870 38.460 -0.750 0.000 0.978 230 Y HN 0.181 nan 8.280 nan 0.000 0.513 231 L N 0.230 121.448 121.223 -0.008 0.000 2.611 231 L HA 0.114 4.455 4.340 0.001 0.000 0.229 231 L C 2.280 179.187 176.870 0.062 0.000 1.137 231 L CA 0.187 55.029 54.840 0.002 0.000 0.901 231 L CB -0.366 41.672 42.059 -0.034 0.000 1.098 231 L HN 0.115 nan 8.230 nan 0.000 0.456 232 R N 0.897 121.441 120.500 0.073 0.000 2.103 232 R HA -0.177 4.163 4.340 0.001 0.000 0.242 232 R C 1.911 178.265 176.300 0.089 0.000 1.142 232 R CA 2.066 58.213 56.100 0.078 0.000 0.960 232 R CB -0.053 30.296 30.300 0.082 0.000 0.858 232 R HN 0.408 nan 8.270 nan 0.000 0.439 233 T N -3.102 111.535 114.554 0.139 0.000 3.134 233 T HA 0.036 4.387 4.350 0.001 0.000 0.260 233 T C 0.065 174.822 174.700 0.096 0.000 1.027 233 T CA -0.592 61.607 62.100 0.166 0.000 0.913 233 T CB -0.184 68.719 68.868 0.058 0.000 1.046 233 T HN 0.196 nan 8.240 nan 0.000 0.553 234 Y N 3.899 124.010 120.300 -0.313 0.000 2.745 234 Y HA 0.220 4.771 4.550 0.001 0.000 0.335 234 Y C -1.803 173.708 175.900 -0.648 0.000 1.212 234 Y CA -2.312 55.199 58.100 -0.982 0.000 1.535 234 Y CB 0.855 38.876 38.460 -0.732 0.000 1.220 234 Y HN 0.077 nan 8.280 nan 0.000 0.531 235 P HA 0.101 nan 4.420 nan 0.000 0.223 235 P C -0.160 176.698 177.300 -0.736 0.000 1.151 235 P CA 1.634 64.222 63.100 -0.852 0.000 0.787 235 P CB 0.159 31.318 31.700 -0.902 0.000 0.788 236 G N -0.619 107.396 108.800 -1.308 0.000 2.484 236 G HA2 -0.125 3.836 3.960 0.001 0.000 0.685 236 G HA3 -0.125 3.836 3.960 0.001 0.000 0.685 236 G C -0.236 174.385 174.900 -0.464 0.000 1.294 236 G CA -0.311 44.350 45.100 -0.732 0.000 0.879 236 G HN -0.129 nan 8.290 nan 0.000 0.646 237 D N 0.202 120.552 120.400 -0.084 0.000 2.221 237 D HA -0.016 4.625 4.640 0.001 0.000 0.204 237 D C 2.533 178.794 176.300 -0.065 0.000 0.982 237 D CA 1.816 55.847 54.000 0.052 0.000 0.857 237 D CB -0.196 40.663 40.800 0.099 0.000 0.934 237 D HN 0.937 nan 8.370 nan 0.000 0.475 238 A N -0.939 121.743 122.820 -0.230 0.000 2.235 238 A HA 0.062 4.382 4.320 0.001 0.000 0.208 238 A C 1.037 178.171 177.584 -0.749 0.000 1.172 238 A CA 0.326 52.054 52.037 -0.515 0.000 0.786 238 A CB -0.382 18.187 19.000 -0.719 0.000 0.804 238 A HN 0.154 nan 8.150 nan 0.000 0.479 239 F N -1.968 117.930 119.950 -0.087 0.000 2.831 239 F HA 0.276 4.804 4.527 0.001 0.000 0.334 239 F C 0.078 175.932 175.800 0.090 0.000 1.071 239 F CA -0.144 57.827 58.000 -0.048 0.000 1.172 239 F CB 0.848 39.795 39.000 -0.088 0.000 1.054 239 F HN -0.120 nan 8.300 nan 0.000 0.572 240 V N 1.003 121.034 119.914 0.194 0.000 2.531 240 V HA 0.276 4.396 4.120 0.001 0.000 0.301 240 V C -0.211 176.068 176.094 0.309 0.000 1.034 240 V CA -0.696 61.783 62.300 0.298 0.000 0.865 240 V CB 1.935 33.887 31.823 0.215 0.000 0.995 240 V HN 0.032 nan 8.190 nan 0.000 0.424 241 D N 2.180 122.803 120.400 0.370 0.000 2.338 241 D HA 0.100 4.740 4.640 0.001 0.000 0.224 241 D C 0.278 176.750 176.300 0.286 0.000 0.967 241 D CA 1.167 55.348 54.000 0.300 0.000 0.896 241 D CB 1.142 42.122 40.800 0.301 0.000 1.028 241 D HN 0.346 nan 8.370 nan 0.000 0.493 242 V N 2.502 122.616 119.914 0.333 0.000 2.444 242 V HA 0.297 4.417 4.120 0.001 0.000 0.294 242 V C -0.103 176.206 176.094 0.358 0.000 1.022 242 V CA -0.668 61.813 62.300 0.302 0.000 0.850 242 V CB 2.042 34.044 31.823 0.297 0.000 0.992 242 V HN -0.035 nan 8.190 nan 0.000 0.426 243 L N 4.703 126.120 121.223 0.324 0.000 2.276 243 L HA 0.789 5.129 4.340 0.001 0.000 0.286 243 L C 0.894 177.922 176.870 0.263 0.000 1.061 243 L CA 0.121 55.206 54.840 0.408 0.000 0.807 243 L CB 0.995 43.299 42.059 0.409 0.000 1.177 243 L HN 0.759 nan 8.230 nan 0.000 0.429 244 G N 3.390 112.337 108.800 0.244 0.000 3.013 244 G HA2 0.767 4.727 3.960 0.001 0.000 0.278 244 G HA3 0.767 4.727 3.960 0.001 0.000 0.278 244 G C -1.514 173.500 174.900 0.191 0.000 1.353 244 G CA -0.501 44.699 45.100 0.168 0.000 1.043 244 G HN 0.399 nan 8.290 nan 0.000 0.523 245 L N 0.537 121.904 121.223 0.239 0.000 2.641 245 L HA 0.386 4.727 4.340 0.001 0.000 0.261 245 L C -1.988 175.139 176.870 0.429 0.000 0.926 245 L CA -0.595 54.430 54.840 0.308 0.000 0.917 245 L CB 2.269 44.425 42.059 0.161 0.000 1.361 245 L HN 0.471 nan 8.230 nan 0.000 0.417 246 D N 2.666 123.309 120.400 0.405 0.000 2.453 246 D HA 0.578 5.218 4.640 0.001 0.000 0.238 246 D C -0.748 175.787 176.300 0.391 0.000 1.088 246 D CA 0.158 54.390 54.000 0.387 0.000 0.854 246 D CB 2.102 43.128 40.800 0.377 0.000 1.076 246 D HN 0.336 nan 8.370 nan 0.000 0.533 247 T N 2.067 116.861 114.554 0.400 0.000 2.937 247 T HA 0.394 4.745 4.350 0.001 0.000 0.297 247 T C -0.971 173.842 174.700 0.188 0.000 0.991 247 T CA -0.524 61.821 62.100 0.408 0.000 0.990 247 T CB 0.601 69.809 68.868 0.567 0.000 0.991 247 T HN 0.075 nan 8.240 nan 0.000 0.440 248 Y N 1.551 121.986 120.300 0.225 0.000 2.429 248 Y HA 0.655 5.205 4.550 0.001 0.000 0.342 248 Y C 0.144 176.021 175.900 -0.038 0.000 1.004 248 Y CA -0.962 57.195 58.100 0.095 0.000 1.075 248 Y CB 1.951 40.389 38.460 -0.037 0.000 1.214 248 Y HN 0.695 nan 8.280 nan 0.000 0.455 249 D N -0.783 119.585 120.400 -0.053 0.000 2.661 249 D HA 0.475 5.115 4.640 0.001 0.000 0.228 249 D C -0.577 175.510 176.300 -0.355 0.000 1.210 249 D CA -0.553 53.239 54.000 -0.348 0.000 0.826 249 D CB 1.663 41.752 40.800 -1.185 0.000 1.542 249 D HN 0.362 nan 8.370 nan 0.000 0.447 250 S N 0.043 115.572 115.700 -0.285 0.000 2.780 250 S HA 0.103 4.574 4.470 0.001 0.000 0.248 250 S C 1.293 175.813 174.600 -0.133 0.000 1.036 250 S CA 0.411 58.438 58.200 -0.287 0.000 1.061 250 S CB -0.039 63.006 63.200 -0.258 0.000 1.037 250 S HN 0.560 nan 8.310 nan 0.000 0.584 251 T N -1.431 113.082 114.554 -0.068 0.000 2.983 251 T HA 0.386 4.737 4.350 0.001 0.000 0.250 251 T C 1.894 176.667 174.700 0.121 0.000 1.037 251 T CA 1.122 63.231 62.100 0.016 0.000 1.142 251 T CB -0.950 67.933 68.868 0.024 0.000 0.876 251 T HN 1.319 nan 8.240 nan 0.000 0.455 252 G N 1.857 110.795 108.800 0.231 0.000 2.168 252 G HA2 -0.282 3.679 3.960 0.001 0.000 0.257 252 G HA3 -0.282 3.679 3.960 0.001 0.000 0.257 252 G C 0.280 175.306 174.900 0.210 0.000 0.997 252 G CA 0.649 45.923 45.100 0.289 0.000 0.708 252 G HN 1.362 nan 8.290 nan 0.000 0.520 253 S N -0.713 115.118 115.700 0.219 0.000 2.614 253 S HA 0.466 4.937 4.470 0.001 0.000 0.265 253 S C 1.093 175.785 174.600 0.155 0.000 1.303 253 S CA 0.280 58.576 58.200 0.160 0.000 1.000 253 S CB 1.474 64.755 63.200 0.134 0.000 0.935 253 S HN 0.061 nan 8.310 nan 0.000 0.551 254 D N 1.586 122.035 120.400 0.081 0.000 2.117 254 D HA -0.056 4.585 4.640 0.001 0.000 0.197 254 D C 2.254 178.570 176.300 0.027 0.000 0.987 254 D CA 1.798 55.819 54.000 0.036 0.000 0.829 254 D CB -0.931 39.879 40.800 0.016 0.000 0.961 254 D HN 0.719 nan 8.370 nan 0.000 0.460 255 A N 0.684 123.538 122.820 0.057 0.000 1.883 255 A HA -0.214 4.106 4.320 0.001 0.000 0.217 255 A C 2.132 179.760 177.584 0.074 0.000 1.186 255 A CA 1.418 53.488 52.037 0.054 0.000 0.624 255 A CB -1.066 17.976 19.000 0.069 0.000 0.822 255 A HN 0.291 nan 8.150 nan 0.000 0.444 256 F N 0.715 120.677 119.950 0.019 0.000 2.075 256 F HA -0.147 4.380 4.527 0.001 0.000 0.297 256 F C 1.864 177.668 175.800 0.008 0.000 1.113 256 F CA 1.851 59.871 58.000 0.033 0.000 1.218 256 F CB -0.554 38.492 39.000 0.076 0.000 0.984 256 F HN 0.137 nan 8.300 nan 0.000 0.472 257 L N 0.197 121.174 121.223 -0.410 0.000 2.079 257 L HA -0.201 4.140 4.340 0.001 0.000 0.210 257 L C 2.816 179.459 176.870 -0.379 0.000 1.081 257 L CA 1.176 55.704 54.840 -0.519 0.000 0.752 257 L CB -1.288 40.639 42.059 -0.220 0.000 0.896 257 L HN 0.319 nan 8.230 nan 0.000 0.433 258 A N 0.320 123.004 122.820 -0.227 0.000 1.873 258 A HA -0.091 4.229 4.320 0.001 0.000 0.215 258 A C 2.432 179.911 177.584 -0.175 0.000 1.186 258 A CA 1.628 53.568 52.037 -0.162 0.000 0.616 258 A CB -1.234 17.712 19.000 -0.090 0.000 0.823 258 A HN 0.420 nan 8.150 nan 0.000 0.442 259 G N -0.279 108.416 108.800 -0.175 0.000 2.422 259 G HA2 -0.124 3.836 3.960 0.001 0.000 0.218 259 G HA3 -0.124 3.836 3.960 0.001 0.000 0.218 259 G C 1.488 176.266 174.900 -0.202 0.000 1.146 259 G CA 1.221 46.240 45.100 -0.135 0.000 0.769 259 G HN 0.467 nan 8.290 nan 0.000 0.547 260 L N 0.817 121.808 121.223 -0.386 0.000 2.027 260 L HA 0.028 4.369 4.340 0.001 0.000 0.206 260 L C 2.916 179.581 176.870 -0.341 0.000 1.074 260 L CA 1.425 56.013 54.840 -0.420 0.000 0.745 260 L CB -0.648 40.980 42.059 -0.717 0.000 0.898 260 L HN 0.070 nan 8.230 nan 0.000 0.433 261 V N 0.305 120.033 119.914 -0.309 0.000 2.332 261 V HA -0.328 3.793 4.120 0.001 0.000 0.248 261 V C 2.829 178.807 176.094 -0.194 0.000 1.055 261 V CA 1.674 63.832 62.300 -0.238 0.000 1.038 261 V CB -1.407 30.298 31.823 -0.197 0.000 0.651 261 V HN 0.634 nan 8.190 nan 0.000 0.450 262 A N -0.187 122.534 122.820 -0.166 0.000 1.883 262 A HA -0.279 4.041 4.320 0.001 0.000 0.217 262 A C 2.016 179.518 177.584 -0.136 0.000 1.186 262 A CA 2.225 54.186 52.037 -0.125 0.000 0.624 262 A CB -0.658 18.289 19.000 -0.089 0.000 0.822 262 A HN 0.534 nan 8.150 nan 0.000 0.444 263 D N -0.240 120.073 120.400 -0.144 0.000 2.117 263 D HA -0.062 4.579 4.640 0.001 0.000 0.198 263 D C 1.936 178.089 176.300 -0.245 0.000 0.982 263 D CA 0.859 54.766 54.000 -0.156 0.000 0.828 263 D CB -0.259 40.499 40.800 -0.069 0.000 0.967 263 D HN 0.438 nan 8.370 nan 0.000 0.464 264 L N 0.760 121.817 121.223 -0.277 0.000 2.093 264 L HA -0.092 4.248 4.340 0.001 0.000 0.208 264 L C 2.532 179.274 176.870 -0.213 0.000 1.085 264 L CA 0.907 55.570 54.840 -0.295 0.000 0.755 264 L CB -0.245 41.600 42.059 -0.357 0.000 0.904 264 L HN 0.077 nan 8.230 nan 0.000 0.435 265 R N 0.002 120.393 120.500 -0.182 0.000 2.090 265 R HA -0.178 4.163 4.340 0.001 0.000 0.228 265 R C 2.231 178.441 176.300 -0.150 0.000 1.110 265 R CA 1.302 57.317 56.100 -0.142 0.000 0.973 265 R CB -0.734 29.497 30.300 -0.116 0.000 0.869 265 R HN 0.304 nan 8.270 nan 0.000 0.440 266 M N 2.448 121.939 119.600 -0.181 0.000 2.088 266 M HA -0.189 4.291 4.480 0.001 0.000 0.256 266 M C 2.455 178.598 176.300 -0.260 0.000 1.071 266 M CA 2.172 57.343 55.300 -0.215 0.000 1.097 266 M CB -0.253 32.190 32.600 -0.261 0.000 1.315 266 M HN 0.358 nan 8.290 nan 0.000 0.406 267 I N -1.400 118.974 120.570 -0.326 0.000 2.394 267 I HA -0.060 4.111 4.170 0.001 0.000 0.251 267 I C 2.353 178.392 176.117 -0.130 0.000 1.136 267 I CA 1.404 62.534 61.300 -0.283 0.000 1.425 267 I CB -0.966 36.861 38.000 -0.288 0.000 1.079 267 I HN 0.290 nan 8.210 nan 0.000 0.425 268 A N 1.321 124.069 122.820 -0.121 0.000 1.898 268 A HA -0.172 4.148 4.320 0.001 0.000 0.216 268 A C 2.219 179.768 177.584 -0.059 0.000 1.181 268 A CA 1.841 53.834 52.037 -0.073 0.000 0.620 268 A CB -0.663 18.293 19.000 -0.073 0.000 0.819 268 A HN 0.603 nan 8.150 nan 0.000 0.442 269 E N -0.175 119.980 120.200 -0.076 0.000 2.031 269 E HA -0.149 4.201 4.350 0.001 0.000 0.193 269 E C 1.887 178.459 176.600 -0.048 0.000 0.994 269 E CA 1.347 57.712 56.400 -0.059 0.000 0.800 269 E CB -0.327 29.332 29.700 -0.069 0.000 0.752 269 E HN 0.675 nan 8.360 nan 0.000 0.447 270 I N 1.230 121.762 120.570 -0.062 0.000 2.151 270 I HA -0.334 3.836 4.170 0.001 0.000 0.243 270 I C 2.534 178.640 176.117 -0.018 0.000 1.080 270 I CA 1.219 62.490 61.300 -0.048 0.000 1.339 270 I CB -0.384 37.585 38.000 -0.052 0.000 1.039 270 I HN 0.118 nan 8.210 nan 0.000 0.409 271 A N 0.270 123.090 122.820 -0.001 0.000 1.898 271 A HA -0.218 4.102 4.320 0.001 0.000 0.216 271 A C 1.977 179.574 177.584 0.022 0.000 1.181 271 A CA 1.942 53.997 52.037 0.030 0.000 0.620 271 A CB -0.535 18.488 19.000 0.040 0.000 0.819 271 A HN 0.347 nan 8.150 nan 0.000 0.442 272 D N -0.108 120.294 120.400 0.004 0.000 2.117 272 D HA -0.131 4.510 4.640 0.001 0.000 0.197 272 D C 1.912 178.216 176.300 0.006 0.000 0.987 272 D CA 1.512 55.514 54.000 0.003 0.000 0.829 272 D CB -0.408 40.387 40.800 -0.008 0.000 0.961 272 D HN 0.654 nan 8.370 nan 0.000 0.460 273 E N 0.415 120.615 120.200 -0.000 0.000 2.110 273 E HA -0.125 4.226 4.350 0.001 0.000 0.193 273 E C 1.692 178.300 176.600 0.014 0.000 0.988 273 E CA 0.828 57.229 56.400 0.002 0.000 0.804 273 E CB 0.057 29.752 29.700 -0.008 0.000 0.745 273 E HN 0.235 nan 8.360 nan 0.000 0.458 274 K N -0.646 119.767 120.400 0.023 0.000 2.393 274 K HA 0.100 4.420 4.320 0.001 0.000 0.193 274 K C 0.840 177.471 176.600 0.051 0.000 1.026 274 K CA 0.439 56.752 56.287 0.043 0.000 1.064 274 K CB 0.829 33.365 32.500 0.060 0.000 0.833 274 K HN 0.201 nan 8.250 nan 0.000 0.521 275 G N 2.496 111.322 108.800 0.043 0.000 2.198 275 G HA2 -0.300 3.660 3.960 0.001 0.000 0.260 275 G HA3 -0.300 3.660 3.960 0.001 0.000 0.260 275 G C -0.222 174.716 174.900 0.065 0.000 1.025 275 G CA 0.553 45.680 45.100 0.046 0.000 0.769 275 G HN 0.258 nan 8.290 nan 0.000 0.507 276 K N -1.397 119.048 120.400 0.075 0.000 2.354 276 K HA 0.747 5.068 4.320 0.001 0.000 0.238 276 K C 0.126 176.781 176.600 0.092 0.000 1.068 276 K CA -0.979 55.370 56.287 0.104 0.000 0.925 276 K CB 1.857 34.442 32.500 0.141 0.000 1.286 276 K HN 0.014 nan 8.250 nan 0.000 0.500 277 V N 1.400 121.384 119.914 0.117 0.000 2.532 277 V HA 0.269 4.390 4.120 0.001 0.000 0.295 277 V C -0.247 175.904 176.094 0.096 0.000 1.041 277 V CA -0.471 61.887 62.300 0.098 0.000 0.926 277 V CB 1.472 33.370 31.823 0.126 0.000 0.992 277 V HN 0.925 nan 8.190 nan 0.000 0.457 278 S N 2.981 118.708 115.700 0.043 0.000 2.568 278 S HA 0.972 5.443 4.470 0.001 0.000 0.302 278 S C -0.560 173.999 174.600 -0.068 0.000 1.082 278 S CA -0.317 57.894 58.200 0.017 0.000 1.009 278 S CB 2.196 65.394 63.200 -0.004 0.000 1.069 278 S HN 1.488 nan 8.310 nan 0.000 0.500 279 A N 1.241 123.989 122.820 -0.120 0.000 2.594 279 A HA 0.661 4.981 4.320 0.001 0.000 0.295 279 A C -1.352 176.176 177.584 -0.094 0.000 1.071 279 A CA -0.632 51.217 52.037 -0.314 0.000 0.685 279 A CB 1.025 19.433 19.000 -0.987 0.000 1.285 279 A HN 0.909 nan 8.150 nan 0.000 0.405 280 F N 3.485 123.307 119.950 -0.213 0.000 2.605 280 F HA 0.251 4.779 4.527 0.001 0.000 0.352 280 F C 1.851 177.685 175.800 0.057 0.000 1.236 280 F CA -0.108 57.873 58.000 -0.031 0.000 1.267 280 F CB -0.309 38.690 39.000 -0.002 0.000 1.632 280 F HN 0.691 nan 8.300 nan 0.000 0.639 281 T N -0.221 114.509 114.554 0.292 0.000 2.803 281 T HA -0.095 4.256 4.350 0.001 0.000 0.269 281 T C 0.492 175.357 174.700 0.274 0.000 1.052 281 T CA 1.031 63.297 62.100 0.276 0.000 1.136 281 T CB -0.011 69.011 68.868 0.256 0.000 0.864 281 T HN 0.491 nan 8.240 nan 0.000 0.467 282 E N 0.298 120.625 120.200 0.211 0.000 2.290 282 E HA 0.565 4.915 4.350 0.001 0.000 0.274 282 E C -1.520 174.907 176.600 -0.288 0.000 0.889 282 E CA -1.010 55.412 56.400 0.037 0.000 0.760 282 E CB 2.214 31.980 29.700 0.110 0.000 1.206 282 E HN 0.464 nan 8.360 nan 0.000 0.419 283 F N 0.347 119.874 119.950 -0.705 0.000 2.626 283 F HA 0.919 5.446 4.527 0.001 0.000 0.311 283 F C -0.302 175.176 175.800 -0.536 0.000 1.088 283 F CA -0.524 56.974 58.000 -0.836 0.000 0.949 283 F CB 1.870 40.164 39.000 -1.176 0.000 1.322 283 F HN 0.554 nan 8.300 nan 0.000 0.461 284 G N 0.600 109.128 108.800 -0.454 0.000 2.321 284 G HA2 0.419 4.379 3.960 0.001 0.000 0.298 284 G HA3 0.419 4.379 3.960 0.001 0.000 0.298 284 G C -2.224 172.443 174.900 -0.389 0.000 1.385 284 G CA -0.564 44.364 45.100 -0.286 0.000 0.856 284 G HN 0.869 nan 8.290 nan 0.000 0.584 285 V N 1.160 120.647 119.914 -0.712 0.000 2.572 285 V HA 0.372 4.493 4.120 0.001 0.000 0.291 285 V C 1.015 176.969 176.094 -0.232 0.000 1.039 285 V CA -0.176 61.604 62.300 -0.867 0.000 1.055 285 V CB 1.243 32.484 31.823 -0.970 0.000 0.969 285 V HN 0.780 nan 8.190 nan 0.000 0.482 286 S N 3.868 119.441 115.700 -0.211 0.000 2.546 286 S HA 0.352 4.823 4.470 0.001 0.000 0.290 286 S C 1.378 175.837 174.600 -0.235 0.000 1.290 286 S CA 0.455 58.574 58.200 -0.134 0.000 1.069 286 S CB 0.488 63.591 63.200 -0.163 0.000 0.846 286 S HN 1.554 nan 8.310 nan 0.000 0.495 287 G N 2.261 110.929 108.800 -0.221 0.000 2.184 287 G HA2 -0.004 3.957 3.960 0.001 0.000 0.264 287 G HA3 -0.004 3.957 3.960 0.001 0.000 0.264 287 G C 0.828 175.380 174.900 -0.579 0.000 0.975 287 G CA 0.267 45.188 45.100 -0.297 0.000 0.642 287 G HN 1.901 nan 8.290 nan 0.000 0.536 288 G N -2.135 106.155 108.800 -0.851 0.000 2.681 288 G HA2 0.137 4.098 3.960 0.001 0.000 0.220 288 G HA3 0.137 4.098 3.960 0.001 0.000 0.220 288 G C 0.875 175.333 174.900 -0.738 0.000 1.353 288 G CA 1.725 46.035 45.100 -1.317 0.000 0.872 288 G HN 1.897 nan 8.290 nan 0.000 0.557 289 V N -1.657 117.833 119.914 -0.707 0.000 3.427 289 V HA 0.694 4.814 4.120 0.001 0.000 0.305 289 V C 1.331 177.122 176.094 -0.506 0.000 1.412 289 V CA 1.345 63.364 62.300 -0.469 0.000 1.086 289 V CB -0.051 31.625 31.823 -0.246 0.000 0.964 289 V HN 1.945 nan 8.190 nan 0.000 0.439 290 G N 1.201 109.560 108.800 -0.736 0.000 2.531 290 G HA2 0.350 4.311 3.960 0.001 0.000 0.281 290 G HA3 0.350 4.311 3.960 0.001 0.000 0.281 290 G C 1.092 175.855 174.900 -0.227 0.000 1.382 290 G CA 0.528 45.312 45.100 -0.528 0.000 1.045 290 G HN 0.485 nan 8.290 nan 0.000 0.533 291 T N -1.786 112.712 114.554 -0.092 0.000 2.881 291 T HA -0.132 4.218 4.350 0.001 0.000 0.270 291 T C 1.393 176.035 174.700 -0.096 0.000 1.068 291 T CA 1.532 63.591 62.100 -0.067 0.000 1.131 291 T CB -0.121 68.735 68.868 -0.020 0.000 0.871 291 T HN 0.284 nan 8.240 nan 0.000 0.479 292 N N 1.466 120.091 118.700 -0.125 0.000 2.270 292 N HA 0.312 5.052 4.740 0.001 0.000 0.198 292 N C 0.890 176.288 175.510 -0.186 0.000 1.117 292 N CA 0.340 53.311 53.050 -0.132 0.000 0.845 292 N CB 0.582 39.005 38.487 -0.108 0.000 0.980 292 N HN 0.663 nan 8.380 nan 0.000 0.486 293 G N -0.866 107.791 108.800 -0.239 0.000 3.099 293 G HA2 0.607 4.567 3.960 0.001 0.000 0.151 293 G HA3 0.607 4.567 3.960 0.001 0.000 0.151 293 G C -0.635 174.122 174.900 -0.239 0.000 1.265 293 G CA -0.197 44.729 45.100 -0.290 0.000 0.981 293 G HN 0.112 nan 8.290 nan 0.000 0.601 294 S N -1.499 114.038 115.700 -0.272 0.000 2.627 294 S HA 0.605 5.075 4.470 0.001 0.000 0.283 294 S C -0.736 173.735 174.600 -0.215 0.000 1.127 294 S CA -0.503 57.566 58.200 -0.218 0.000 0.863 294 S CB 2.036 65.102 63.200 -0.223 0.000 1.121 294 S HN 0.386 nan 8.310 nan 0.000 0.479 295 S N 2.924 118.540 115.700 -0.139 0.000 2.078 295 S HA 0.315 4.785 4.470 0.001 0.000 0.168 295 S C -2.535 172.039 174.600 -0.044 0.000 1.542 295 S CA -0.943 57.205 58.200 -0.087 0.000 1.223 295 S CB -0.071 63.107 63.200 -0.036 0.000 1.152 295 S HN 0.492 nan 8.310 nan 0.000 0.452 296 P HA 0.164 nan 4.420 nan 0.000 0.267 296 P C -0.100 177.275 177.300 0.126 0.000 1.209 296 P CA -0.056 63.067 63.100 0.038 0.000 0.763 296 P CB 0.345 32.092 31.700 0.079 0.000 0.816 297 A N 4.190 127.075 122.820 0.110 0.000 2.580 297 A HA -0.080 4.241 4.320 0.001 0.000 0.244 297 A C 0.952 178.632 177.584 0.160 0.000 1.045 297 A CA 0.237 52.345 52.037 0.118 0.000 0.761 297 A CB -0.713 18.338 19.000 0.085 0.000 0.962 297 A HN 0.697 nan 8.150 nan 0.000 0.512 298 Q N 0.447 120.354 119.800 0.178 0.000 2.437 298 Q HA -0.282 4.058 4.340 0.001 0.000 0.274 298 Q C 0.475 176.609 176.000 0.223 0.000 1.165 298 Q CA 1.212 57.133 55.803 0.198 0.000 0.925 298 Q CB -1.789 27.029 28.738 0.134 0.000 1.327 298 Q HN 0.980 nan 8.270 nan 0.000 0.505 299 W N -0.134 121.190 121.300 0.040 0.000 2.335 299 W HA -0.194 4.466 4.660 0.001 0.000 0.311 299 W C 1.397 177.895 176.519 -0.034 0.000 1.213 299 W CA 2.052 59.359 57.345 -0.062 0.000 1.274 299 W CB -0.308 29.004 29.460 -0.247 0.000 1.148 299 W HN 0.365 nan 8.180 nan 0.000 0.498 300 F N 0.306 120.496 119.950 0.398 0.000 2.113 300 F HA -0.210 4.318 4.527 0.001 0.000 0.297 300 F C 2.800 178.689 175.800 0.148 0.000 1.103 300 F CA 2.319 60.456 58.000 0.229 0.000 1.248 300 F CB -1.417 37.712 39.000 0.215 0.000 0.999 300 F HN -0.126 nan 8.300 nan 0.000 0.475 301 T N -2.249 112.519 114.554 0.357 0.000 2.951 301 T HA -0.100 4.251 4.350 0.001 0.000 0.268 301 T C 1.819 176.582 174.700 0.105 0.000 1.073 301 T CA 0.968 63.216 62.100 0.246 0.000 1.134 301 T CB -0.321 68.664 68.868 0.194 0.000 0.884 301 T HN 0.177 nan 8.240 nan 0.000 0.479 302 K N 0.676 121.093 120.400 0.028 0.000 2.057 302 K HA 0.063 4.384 4.320 0.001 0.000 0.206 302 K C 2.341 178.866 176.600 -0.124 0.000 1.050 302 K CA 0.964 57.218 56.287 -0.054 0.000 0.935 302 K CB -0.400 32.054 32.500 -0.076 0.000 0.715 302 K HN 0.163 nan 8.250 nan 0.000 0.439 303 V N 1.461 121.233 119.914 -0.235 0.000 2.295 303 V HA -0.236 3.885 4.120 0.001 0.000 0.246 303 V C 2.144 178.203 176.094 -0.058 0.000 1.049 303 V CA 1.476 63.633 62.300 -0.240 0.000 1.024 303 V CB -0.355 31.197 31.823 -0.452 0.000 0.648 303 V HN 0.256 nan 8.190 nan 0.000 0.447 304 L N 0.805 122.072 121.223 0.074 0.000 2.017 304 L HA -0.092 4.249 4.340 0.001 0.000 0.208 304 L C 2.485 179.356 176.870 0.002 0.000 1.073 304 L CA 2.376 57.298 54.840 0.136 0.000 0.745 304 L CB -0.994 41.246 42.059 0.303 0.000 0.894 304 L HN 0.232 nan 8.230 nan 0.000 0.432 305 A N -0.462 122.352 122.820 -0.011 0.000 1.917 305 A HA -0.200 4.120 4.320 0.001 0.000 0.219 305 A C 2.444 179.970 177.584 -0.097 0.000 1.182 305 A CA 2.114 54.115 52.037 -0.059 0.000 0.633 305 A CB -1.248 17.730 19.000 -0.036 0.000 0.819 305 A HN 0.593 nan 8.150 nan 0.000 0.448 306 A N -0.448 122.313 122.820 -0.099 0.000 1.930 306 A HA -0.023 4.298 4.320 0.001 0.000 0.217 306 A C 2.114 179.613 177.584 -0.141 0.000 1.175 306 A CA 1.452 53.414 52.037 -0.126 0.000 0.627 306 A CB -0.528 18.381 19.000 -0.152 0.000 0.815 306 A HN 0.514 nan 8.150 nan 0.000 0.443 307 I N -0.549 119.943 120.570 -0.129 0.000 2.233 307 I HA -0.226 3.944 4.170 0.001 0.000 0.243 307 I C 2.389 178.381 176.117 -0.208 0.000 1.093 307 I CA 1.311 62.532 61.300 -0.132 0.000 1.380 307 I CB -0.222 37.752 38.000 -0.043 0.000 1.067 307 I HN 0.249 nan 8.210 nan 0.000 0.413 308 K N 0.985 121.212 120.400 -0.288 0.000 2.097 308 K HA -0.096 4.224 4.320 0.001 0.000 0.206 308 K C 2.171 178.602 176.600 -0.282 0.000 1.049 308 K CA 1.430 57.448 56.287 -0.449 0.000 0.933 308 K CB -0.261 31.958 32.500 -0.469 0.000 0.717 308 K HN 0.288 nan 8.250 nan 0.000 0.442 309 A N 1.439 124.144 122.820 -0.192 0.000 2.125 309 A HA -0.129 4.192 4.320 0.001 0.000 0.219 309 A C 0.816 178.323 177.584 -0.128 0.000 1.156 309 A CA 0.912 52.864 52.037 -0.141 0.000 0.671 309 A CB -0.107 18.826 19.000 -0.112 0.000 0.794 309 A HN 0.200 nan 8.150 nan 0.000 0.459 310 D N -0.917 119.399 120.400 -0.140 0.000 2.303 310 D HA 0.266 4.907 4.640 0.001 0.000 0.236 310 D C -2.011 174.223 176.300 -0.110 0.000 1.068 310 D CA -1.768 52.162 54.000 -0.116 0.000 0.830 310 D CB 1.867 42.596 40.800 -0.118 0.000 1.109 310 D HN 0.025 nan 8.370 nan 0.000 0.496 311 P HA -0.056 nan 4.420 nan 0.000 0.225 311 P C 1.284 178.553 177.300 -0.051 0.000 1.156 311 P CA 0.346 63.406 63.100 -0.067 0.000 0.787 311 P CB 0.798 32.465 31.700 -0.053 0.000 0.802 312 V N 0.464 120.341 119.914 -0.061 0.000 2.492 312 V HA 0.063 4.184 4.120 0.001 0.000 0.241 312 V C 2.779 178.832 176.094 -0.068 0.000 1.041 312 V CA 1.481 63.746 62.300 -0.058 0.000 1.057 312 V CB -1.564 30.221 31.823 -0.064 0.000 0.711 312 V HN 0.023 nan 8.190 nan 0.000 0.468 313 A N 1.284 124.049 122.820 -0.091 0.000 2.024 313 A HA -0.186 4.134 4.320 0.001 0.000 0.220 313 A C 2.353 179.896 177.584 -0.069 0.000 1.164 313 A CA 2.128 54.098 52.037 -0.111 0.000 0.643 313 A CB -0.622 18.291 19.000 -0.144 0.000 0.806 313 A HN 0.675 nan 8.150 nan 0.000 0.451 314 S N -0.612 115.065 115.700 -0.037 0.000 2.561 314 S HA 0.029 4.500 4.470 0.001 0.000 0.225 314 S C 1.077 175.758 174.600 0.136 0.000 0.977 314 S CA -0.025 58.214 58.200 0.065 0.000 0.926 314 S CB -0.228 62.954 63.200 -0.031 0.000 0.769 314 S HN 0.555 nan 8.310 nan 0.000 0.533 315 R N 2.617 123.143 120.500 0.042 0.000 4.792 315 R HA 0.298 4.639 4.340 0.001 0.000 0.205 315 R C -0.695 175.608 176.300 0.005 0.000 1.875 315 R CA -0.014 56.102 56.100 0.027 0.000 1.588 315 R CB -0.464 29.835 30.300 -0.002 0.000 1.401 315 R HN 0.349 nan 8.270 nan 0.000 0.834 316 N N -0.444 118.271 118.700 0.025 0.000 2.295 316 N HA 0.179 4.919 4.740 0.001 0.000 0.293 316 N C 0.076 175.582 175.510 -0.008 0.000 1.040 316 N CA -0.200 52.845 53.050 -0.009 0.000 0.840 316 N CB 2.102 40.580 38.487 -0.016 0.000 1.468 316 N HN 0.135 nan 8.380 nan 0.000 0.478 317 A N 1.918 124.711 122.820 -0.044 0.000 1.897 317 A HA 0.001 4.321 4.320 0.001 0.000 0.215 317 A C 0.096 177.763 177.584 0.137 0.000 1.181 317 A CA 1.397 53.447 52.037 0.021 0.000 0.620 317 A CB -0.310 18.747 19.000 0.095 0.000 0.821 317 A HN 0.743 nan 8.150 nan 0.000 0.443 318 Y N -3.150 117.202 120.300 0.086 0.000 2.625 318 Y HA 0.690 5.240 4.550 0.001 0.000 0.338 318 Y C -0.904 175.093 175.900 0.161 0.000 1.123 318 Y CA -1.948 56.210 58.100 0.097 0.000 1.046 318 Y CB 0.966 39.477 38.460 0.085 0.000 1.299 318 Y HN 0.181 nan 8.280 nan 0.000 0.464 319 M N 1.132 120.938 119.600 0.345 0.000 2.213 319 M HA 0.574 5.054 4.480 0.001 0.000 0.286 319 M C -1.832 174.730 176.300 0.438 0.000 1.008 319 M CA -0.600 54.863 55.300 0.273 0.000 0.937 319 M CB 2.604 35.172 32.600 -0.053 0.000 1.600 319 M HN 0.865 nan 8.290 nan 0.000 0.450 320 E N 2.312 122.767 120.200 0.424 0.000 2.151 320 E HA 0.483 4.833 4.350 0.001 0.000 0.275 320 E C -1.293 175.336 176.600 0.049 0.000 0.936 320 E CA -0.286 56.226 56.400 0.188 0.000 0.777 320 E CB 2.164 31.948 29.700 0.140 0.000 1.108 320 E HN 0.806 nan 8.360 nan 0.000 0.401 321 T N 3.170 117.609 114.554 -0.192 0.000 2.923 321 T HA 0.263 4.614 4.350 0.001 0.000 0.281 321 T C -0.763 173.963 174.700 0.043 0.000 0.995 321 T CA -0.568 61.347 62.100 -0.307 0.000 0.985 321 T CB 0.591 69.167 68.868 -0.485 0.000 1.114 321 T HN 0.512 nan 8.240 nan 0.000 0.548 322 W N 2.056 123.144 121.300 -0.353 0.000 2.181 322 W HA 0.428 5.089 4.660 0.001 0.000 0.415 322 W C 0.644 177.084 176.519 -0.130 0.000 1.689 322 W CA -0.955 56.091 57.345 -0.500 0.000 1.859 322 W CB 0.811 29.550 29.460 -1.202 0.000 1.425 322 W HN 0.602 nan 8.180 nan 0.000 0.713 323 R N 2.717 122.861 120.500 -0.593 0.000 2.543 323 R HA 0.017 4.357 4.340 0.001 0.000 0.277 323 R C -0.780 175.601 176.300 0.135 0.000 1.074 323 R CA 0.062 55.919 56.100 -0.406 0.000 1.076 323 R CB 0.296 30.139 30.300 -0.762 0.000 0.993 323 R HN 0.308 nan 8.270 nan 0.000 0.459 324 N N 3.238 122.049 118.700 0.185 0.000 2.968 324 N HA 0.115 4.856 4.740 0.001 0.000 0.271 324 N C 0.388 176.011 175.510 0.189 0.000 1.174 324 N CA 0.188 53.407 53.050 0.281 0.000 1.096 324 N CB 1.311 39.973 38.487 0.291 0.000 1.403 324 N HN 0.674 nan 8.380 nan 0.000 0.522 325 A N 1.278 124.176 122.820 0.130 0.000 1.840 325 A HA -0.007 4.313 4.320 0.001 0.000 0.214 325 A C 0.505 178.190 177.584 0.169 0.000 1.198 325 A CA 1.389 53.480 52.037 0.091 0.000 0.608 325 A CB -0.108 18.885 19.000 -0.013 0.000 0.839 325 A HN 0.595 nan 8.150 nan 0.000 0.443 326 D N -5.190 115.297 120.400 0.145 0.000 2.759 326 D HA 0.556 5.196 4.640 0.001 0.000 0.321 326 D C 0.508 176.897 176.300 0.148 0.000 1.267 326 D CA -0.012 54.053 54.000 0.109 0.000 0.933 326 D CB 0.632 41.488 40.800 0.092 0.000 1.431 326 D HN 0.153 nan 8.370 nan 0.000 0.504 327 A N -0.138 122.735 122.820 0.088 0.000 1.908 327 A HA 0.074 4.395 4.320 0.001 0.000 0.218 327 A C 2.016 179.720 177.584 0.201 0.000 1.181 327 A CA 2.433 54.546 52.037 0.127 0.000 0.627 327 A CB -1.660 17.371 19.000 0.052 0.000 0.818 327 A HN 0.641 nan 8.150 nan 0.000 0.445 328 G N -1.448 107.410 108.800 0.096 0.000 2.414 328 G HA2 -0.073 3.887 3.960 0.001 0.000 0.215 328 G HA3 -0.073 3.887 3.960 0.001 0.000 0.215 328 G C 0.995 175.868 174.900 -0.044 0.000 1.188 328 G CA 0.910 46.019 45.100 0.016 0.000 0.783 328 G HN 0.579 nan 8.290 nan 0.000 0.537 329 Q N 0.772 120.582 119.800 0.017 0.000 2.454 329 Q HA 0.322 4.662 4.340 0.001 0.000 0.255 329 Q C -1.166 174.866 176.000 0.053 0.000 1.034 329 Q CA -0.709 55.061 55.803 -0.055 0.000 0.736 329 Q CB 0.445 29.201 28.738 0.031 0.000 1.210 329 Q HN 0.750 nan 8.270 nan 0.000 0.500 330 H N 1.234 120.186 119.070 -0.195 0.000 3.037 330 H HA 0.303 4.859 4.556 0.001 0.000 0.355 330 H C -1.227 173.932 175.328 -0.281 0.000 1.263 330 H CA -0.754 55.258 56.048 -0.060 0.000 1.129 330 H CB 0.712 30.479 29.762 0.008 0.000 1.861 330 H HN 0.411 nan 8.280 nan 0.000 0.546 331 F N 0.113 120.129 119.950 0.109 0.000 2.711 331 F HA 0.213 4.741 4.527 0.001 0.000 0.296 331 F C 0.837 176.614 175.800 -0.038 0.000 1.096 331 F CA 0.062 58.082 58.000 0.034 0.000 1.280 331 F CB 1.029 40.107 39.000 0.130 0.000 1.060 331 F HN 0.170 nan 8.300 nan 0.000 0.608 332 V N 3.546 123.466 119.914 0.009 0.000 2.406 332 V HA 0.278 4.399 4.120 0.001 0.000 0.272 332 V C -2.153 173.815 176.094 -0.211 0.000 1.043 332 V CA -2.014 60.020 62.300 -0.443 0.000 0.915 332 V CB 0.786 32.181 31.823 -0.713 0.000 0.988 332 V HN -0.159 nan 8.190 nan 0.000 0.466 333 P HA 0.236 nan 4.420 nan 0.000 0.269 333 P C -0.583 176.690 177.300 -0.045 0.000 1.209 333 P CA 0.172 63.253 63.100 -0.031 0.000 0.776 333 P CB 0.816 32.519 31.700 0.005 0.000 0.876 334 V N -0.392 119.532 119.914 0.016 0.000 3.141 334 V HA 0.710 4.830 4.120 0.001 0.000 0.312 334 V C -2.819 173.277 176.094 0.005 0.000 1.157 334 V CA -3.381 58.902 62.300 -0.029 0.000 1.041 334 V CB 1.254 33.013 31.823 -0.107 0.000 1.071 334 V HN 0.208 nan 8.190 nan 0.000 0.441 335 P HA 0.347 nan 4.420 nan 0.000 0.262 335 P C 0.907 178.214 177.300 0.012 0.000 1.182 335 P CA 2.036 65.141 63.100 0.008 0.000 0.761 335 P CB 0.591 32.291 31.700 0.000 0.000 0.795 336 G N 2.144 110.958 108.800 0.023 0.000 2.259 336 G HA2 -0.162 3.799 3.960 0.001 0.000 0.217 336 G HA3 -0.162 3.799 3.960 0.001 0.000 0.217 336 G C -0.236 174.688 174.900 0.039 0.000 1.001 336 G CA -0.412 44.704 45.100 0.026 0.000 0.627 336 G HN 0.512 nan 8.290 nan 0.000 0.501 337 D N 0.997 121.431 120.400 0.057 0.000 2.264 337 D HA 0.626 5.267 4.640 0.001 0.000 0.250 337 D C 1.390 177.726 176.300 0.061 0.000 1.113 337 D CA 0.446 54.485 54.000 0.065 0.000 0.871 337 D CB 1.405 42.267 40.800 0.103 0.000 1.167 337 D HN 0.376 nan 8.370 nan 0.000 0.447 338 A N 2.866 125.715 122.820 0.048 0.000 2.024 338 A HA -0.128 4.193 4.320 0.001 0.000 0.220 338 A C 1.896 179.538 177.584 0.096 0.000 1.164 338 A CA 0.990 53.062 52.037 0.058 0.000 0.643 338 A CB -0.333 18.691 19.000 0.039 0.000 0.806 338 A HN 0.616 nan 8.150 nan 0.000 0.451 339 L N -0.581 120.717 121.223 0.126 0.000 2.591 339 L HA 0.044 4.384 4.340 0.001 0.000 0.228 339 L C 2.059 179.075 176.870 0.244 0.000 1.133 339 L CA -0.228 54.747 54.840 0.224 0.000 0.880 339 L CB -0.106 42.140 42.059 0.312 0.000 1.033 339 L HN 0.399 nan 8.230 nan 0.000 0.450 340 L N 0.448 121.766 121.223 0.158 0.000 1.971 340 L HA -0.282 4.059 4.340 0.001 0.000 0.215 340 L C 2.408 179.373 176.870 0.159 0.000 1.072 340 L CA 2.041 56.966 54.840 0.142 0.000 0.758 340 L CB -0.505 41.607 42.059 0.088 0.000 0.889 340 L HN 0.308 nan 8.230 nan 0.000 0.433 341 E N -0.987 119.288 120.200 0.125 0.000 2.085 341 E HA -0.316 4.035 4.350 0.001 0.000 0.194 341 E C 1.854 178.530 176.600 0.126 0.000 0.994 341 E CA 1.727 58.188 56.400 0.101 0.000 0.801 341 E CB -0.116 29.632 29.700 0.080 0.000 0.743 341 E HN 0.698 nan 8.360 nan 0.000 0.453 342 D N -0.860 119.657 120.400 0.194 0.000 2.117 342 D HA -0.166 4.475 4.640 0.001 0.000 0.198 342 D C 1.739 178.208 176.300 0.281 0.000 0.982 342 D CA 0.880 55.034 54.000 0.257 0.000 0.828 342 D CB -0.203 40.805 40.800 0.347 0.000 0.967 342 D HN 0.182 nan 8.370 nan 0.000 0.464 343 F N 1.195 121.191 119.950 0.076 0.000 2.134 343 F HA -0.144 4.383 4.527 0.001 0.000 0.299 343 F C 2.202 177.966 175.800 -0.061 0.000 1.097 343 F CA 1.495 59.360 58.000 -0.225 0.000 1.264 343 F CB -0.324 38.356 39.000 -0.533 0.000 1.001 343 F HN -0.001 nan 8.300 nan 0.000 0.479 344 Q N -0.076 119.684 119.800 -0.068 0.000 2.124 344 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 344 Q C 2.468 178.366 176.000 -0.170 0.000 0.977 344 Q CA 1.436 57.142 55.803 -0.163 0.000 0.850 344 Q CB -0.480 28.234 28.738 -0.040 0.000 0.901 344 Q HN 0.544 nan 8.270 nan 0.000 0.429 345 A N 0.331 123.119 122.820 -0.055 0.000 1.898 345 A HA -0.219 4.102 4.320 0.001 0.000 0.216 345 A C 1.909 179.474 177.584 -0.032 0.000 1.181 345 A CA 1.332 53.355 52.037 -0.023 0.000 0.620 345 A CB -0.906 18.123 19.000 0.048 0.000 0.819 345 A HN 0.546 nan 8.150 nan 0.000 0.442 346 Y N 0.784 121.002 120.300 -0.137 0.000 2.165 346 Y HA -0.159 4.391 4.550 0.001 0.000 0.286 346 Y C 2.521 178.286 175.900 -0.225 0.000 1.155 346 Y CA 1.588 59.611 58.100 -0.129 0.000 1.164 346 Y CB -0.469 37.943 38.460 -0.080 0.000 0.978 346 Y HN 0.290 nan 8.280 nan 0.000 0.513 347 A N 0.447 123.000 122.820 -0.445 0.000 1.969 347 A HA -0.004 4.316 4.320 0.001 0.000 0.218 347 A C 2.300 179.606 177.584 -0.463 0.000 1.169 347 A CA 1.530 53.227 52.037 -0.568 0.000 0.635 347 A CB -1.325 17.143 19.000 -0.886 0.000 0.810 347 A HN 0.635 nan 8.150 nan 0.000 0.445 348 A N -0.705 121.919 122.820 -0.327 0.000 2.123 348 A HA 0.055 4.375 4.320 0.001 0.000 0.214 348 A C 0.968 178.468 177.584 -0.139 0.000 1.152 348 A CA 0.358 52.262 52.037 -0.221 0.000 0.728 348 A CB -0.339 18.564 19.000 -0.162 0.000 0.814 348 A HN 0.481 nan 8.150 nan 0.000 0.464 349 D N 0.777 121.094 120.400 -0.137 0.000 2.493 349 D HA 0.016 4.656 4.640 0.001 0.000 0.240 349 D C -1.384 174.898 176.300 -0.031 0.000 1.142 349 D CA -1.042 52.916 54.000 -0.071 0.000 0.872 349 D CB 1.103 41.858 40.800 -0.075 0.000 1.173 349 D HN 0.130 nan 8.370 nan 0.000 0.467 350 P HA -0.130 nan 4.420 nan 0.000 0.228 350 P C 1.309 178.663 177.300 0.090 0.000 1.151 350 P CA 0.514 63.639 63.100 0.042 0.000 0.770 350 P CB -0.012 31.716 31.700 0.046 0.000 0.786 351 F N 1.755 121.677 119.950 -0.048 0.000 2.293 351 F HA 0.005 4.533 4.527 0.001 0.000 0.297 351 F C 0.932 176.711 175.800 -0.035 0.000 1.089 351 F CA 0.814 58.791 58.000 -0.038 0.000 1.377 351 F CB -0.609 38.364 39.000 -0.046 0.000 1.051 351 F HN -0.184 nan 8.300 nan 0.000 0.511 352 T N 1.450 115.980 114.554 -0.039 0.000 2.794 352 T HA 0.429 4.780 4.350 0.001 0.000 0.296 352 T C -0.341 174.389 174.700 0.051 0.000 0.949 352 T CA -0.567 61.474 62.100 -0.099 0.000 1.101 352 T CB 0.668 69.374 68.868 -0.271 0.000 0.905 352 T HN 0.088 nan 8.240 nan 0.000 0.516 353 L N 3.392 124.620 121.223 0.009 0.000 2.309 353 L HA 0.630 4.971 4.340 0.001 0.000 0.282 353 L C -0.466 176.477 176.870 0.121 0.000 1.036 353 L CA -0.961 53.948 54.840 0.115 0.000 0.806 353 L CB 0.947 43.033 42.059 0.046 0.000 1.220 353 L HN 0.572 nan 8.230 nan 0.000 0.429 354 F N -0.199 119.820 119.950 0.116 0.000 2.613 354 F HA 0.523 5.050 4.527 0.001 0.000 0.342 354 F C 1.226 177.143 175.800 0.195 0.000 1.066 354 F CA -0.315 57.794 58.000 0.183 0.000 1.002 354 F CB 1.361 40.446 39.000 0.142 0.000 1.319 354 F HN 0.500 nan 8.300 nan 0.000 0.495 355 A N 0.239 123.322 122.820 0.437 0.000 1.903 355 A HA -0.248 4.073 4.320 0.001 0.000 0.219 355 A C 2.194 179.936 177.584 0.262 0.000 1.191 355 A CA 2.751 55.004 52.037 0.359 0.000 0.638 355 A CB -1.502 17.776 19.000 0.464 0.000 0.823 355 A HN 0.755 nan 8.150 nan 0.000 0.451 356 S N -0.508 115.349 115.700 0.261 0.000 2.474 356 S HA -0.092 4.379 4.470 0.001 0.000 0.235 356 S C 1.246 175.932 174.600 0.145 0.000 0.997 356 S CA 1.328 59.636 58.200 0.181 0.000 0.949 356 S CB -0.326 62.970 63.200 0.161 0.000 0.766 356 S HN 0.681 nan 8.310 nan 0.000 0.517 357 E N 0.534 120.834 120.200 0.167 0.000 2.474 357 E HA 0.204 4.554 4.350 0.001 0.000 0.195 357 E C -0.720 175.961 176.600 0.134 0.000 1.039 357 E CA -0.182 56.300 56.400 0.137 0.000 0.881 357 E CB 0.725 30.512 29.700 0.145 0.000 0.970 357 E HN 0.322 nan 8.360 nan 0.000 0.486 358 V N 1.571 121.561 119.914 0.126 0.000 2.389 358 V HA 0.171 4.291 4.120 0.001 0.000 0.264 358 V C 0.137 176.227 176.094 -0.006 0.000 1.049 358 V CA 0.077 62.418 62.300 0.068 0.000 0.932 358 V CB 1.085 32.922 31.823 0.022 0.000 1.011 358 V HN 0.001 nan 8.190 nan 0.000 0.475 359 T N 3.262 117.809 114.554 -0.012 0.000 2.952 359 T HA 0.596 4.947 4.350 0.001 0.000 0.305 359 T C 0.513 175.178 174.700 -0.057 0.000 1.064 359 T CA 0.518 62.604 62.100 -0.023 0.000 1.008 359 T CB 1.283 70.175 68.868 0.041 0.000 1.078 359 T HN 1.467 nan 8.240 nan 0.000 0.459 360 G N 2.333 111.080 108.800 -0.088 0.000 2.176 360 G HA2 -0.153 3.808 3.960 0.001 0.000 0.252 360 G HA3 -0.153 3.808 3.960 0.001 0.000 0.252 360 G C 0.924 175.696 174.900 -0.214 0.000 1.024 360 G CA 0.453 45.514 45.100 -0.066 0.000 0.755 360 G HN 1.279 nan 8.290 nan 0.000 0.507 361 A N -1.010 121.452 122.820 -0.597 0.000 1.935 361 A HA 0.556 4.876 4.320 0.001 0.000 0.214 361 A C 1.654 178.759 177.584 -0.799 0.000 1.178 361 A CA 1.874 53.238 52.037 -1.122 0.000 0.640 361 A CB -0.105 17.798 19.000 -1.829 0.000 0.825 361 A HN 0.736 nan 8.150 nan 0.000 0.447 362 F N -0.205 119.670 119.950 -0.126 0.000 2.706 362 F HA 0.160 4.688 4.527 0.001 0.000 0.313 362 F C 0.826 176.608 175.800 -0.030 0.000 1.096 362 F CA 0.042 58.005 58.000 -0.063 0.000 1.219 362 F CB 0.502 39.459 39.000 -0.072 0.000 1.051 362 F HN 0.338 nan 8.300 nan 0.000 0.568 363 D N -0.670 119.788 120.400 0.096 0.000 2.440 363 D HA 0.100 4.740 4.640 0.001 0.000 0.216 363 D C 0.482 176.812 176.300 0.050 0.000 1.150 363 D CA -0.159 53.885 54.000 0.072 0.000 0.832 363 D CB -0.155 40.679 40.800 0.058 0.000 0.992 363 D HN 0.009 nan 8.370 nan 0.000 0.502 364 R N -0.308 120.221 120.500 0.047 0.000 2.679 364 R HA 0.480 4.821 4.340 0.001 0.000 0.269 364 R C -0.114 176.214 176.300 0.047 0.000 1.076 364 R CA 0.145 56.272 56.100 0.046 0.000 1.160 364 R CB 0.615 30.946 30.300 0.052 0.000 1.054 364 R HN -0.086 nan 8.270 nan 0.000 0.507 365 T N 2.214 116.792 114.554 0.040 0.000 2.821 365 T HA 0.389 4.740 4.350 0.001 0.000 0.307 365 T C -0.989 173.733 174.700 0.037 0.000 1.034 365 T CA -0.599 61.523 62.100 0.036 0.000 0.953 365 T CB 0.665 69.550 68.868 0.029 0.000 0.968 365 T HN 0.397 nan 8.240 nan 0.000 0.462 366 V N 1.383 121.322 119.914 0.041 0.000 2.841 366 V HA 0.996 5.117 4.120 0.001 0.000 0.310 366 V C -0.664 175.454 176.094 0.039 0.000 1.090 366 V CA -1.150 61.175 62.300 0.041 0.000 0.930 366 V CB 1.642 33.495 31.823 0.049 0.000 1.014 366 V HN 0.889 nan 8.190 nan 0.000 0.425 367 A N 3.989 126.830 122.820 0.035 0.000 2.303 367 A HA 0.968 5.288 4.320 0.001 0.000 0.317 367 A C 0.432 178.037 177.584 0.036 0.000 1.149 367 A CA -0.229 51.826 52.037 0.031 0.000 0.822 367 A CB 1.243 20.258 19.000 0.025 0.000 1.131 367 A HN 2.366 nan 8.150 nan 0.000 0.493 368 A N 1.183 124.024 122.820 0.035 0.000 2.328 368 A HA 0.623 4.944 4.320 0.001 0.000 0.284 368 A C 0.758 178.358 177.584 0.028 0.000 1.160 368 A CA 0.156 52.215 52.037 0.037 0.000 0.818 368 A CB -0.114 18.910 19.000 0.038 0.000 1.087 368 A HN 2.129 nan 8.150 nan 0.000 0.504 369 A N 4.317 127.155 122.820 0.029 0.000 2.520 369 A HA 0.511 4.832 4.320 0.001 0.000 0.235 369 A C -1.872 175.721 177.584 0.014 0.000 1.065 369 A CA -0.836 51.213 52.037 0.021 0.000 0.764 369 A CB -0.575 18.438 19.000 0.022 0.000 1.002 369 A HN 0.709 nan 8.150 nan 0.000 0.502 370 P HA 0.260 nan 4.420 nan 0.000 0.268 370 P C -0.102 177.195 177.300 -0.005 0.000 1.205 370 P CA 0.204 63.305 63.100 0.002 0.000 0.771 370 P CB 0.506 32.206 31.700 -0.000 0.000 0.858 371 A N 3.186 125.999 122.820 -0.011 0.000 2.546 371 A HA -0.043 4.277 4.320 0.001 0.000 0.243 371 A C 0.675 178.237 177.584 -0.036 0.000 1.063 371 A CA 0.006 52.026 52.037 -0.028 0.000 0.757 371 A CB -0.552 18.428 19.000 -0.033 0.000 0.991 371 A HN 0.630 nan 8.150 nan 0.000 0.503 372 Q N 2.332 122.100 119.800 -0.054 0.000 2.255 372 Q HA 0.146 4.487 4.340 0.001 0.000 0.280 372 Q C -2.171 173.795 176.000 -0.056 0.000 1.068 372 Q CA -1.347 54.424 55.803 -0.054 0.000 0.911 372 Q CB 0.247 28.940 28.738 -0.075 0.000 1.157 372 Q HN 0.466 nan 8.270 nan 0.000 0.380 373 P HA -0.008 nan 4.420 nan 0.000 0.271 373 P C -1.338 175.960 177.300 -0.003 0.000 1.220 373 P CA -0.026 63.064 63.100 -0.017 0.000 0.768 373 P CB 0.677 32.369 31.700 -0.013 0.000 0.848 374 V N 1.376 121.306 119.914 0.027 0.000 2.925 374 V HA 0.766 4.886 4.120 0.001 0.000 0.311 374 V C -0.824 175.358 176.094 0.147 0.000 1.104 374 V CA -1.089 61.267 62.300 0.094 0.000 0.954 374 V CB 2.256 34.155 31.823 0.126 0.000 1.022 374 V HN 0.349 nan 8.190 nan 0.000 0.427 375 V N 3.934 123.950 119.914 0.170 0.000 2.709 375 V HA 0.940 5.061 4.120 0.001 0.000 0.308 375 V C -0.978 175.264 176.094 0.248 0.000 1.062 375 V CA 0.008 62.397 62.300 0.149 0.000 0.901 375 V CB 2.000 33.846 31.823 0.038 0.000 1.003 375 V HN 1.501 nan 8.190 nan 0.000 0.425 376 H N 3.461 122.605 119.070 0.124 0.000 3.046 376 H HA 0.660 5.216 4.556 0.001 0.000 0.361 376 H C -1.436 173.942 175.328 0.083 0.000 1.235 376 H CA -1.097 55.006 56.048 0.091 0.000 1.146 376 H CB 1.421 31.237 29.762 0.090 0.000 1.859 376 H HN 0.520 nan 8.280 nan 0.000 0.548 377 I N 2.766 123.373 120.570 0.062 0.000 2.291 377 I HA 0.302 4.473 4.170 0.001 0.000 0.292 377 I C 1.141 177.257 176.117 -0.001 0.000 1.064 377 I CA -0.246 61.039 61.300 -0.026 0.000 1.269 377 I CB 1.292 39.267 38.000 -0.042 0.000 1.418 377 I HN 0.929 nan 8.210 nan 0.000 0.485 378 A N 4.692 127.462 122.820 -0.083 0.000 1.968 378 A HA 0.014 4.334 4.320 0.001 0.000 0.217 378 A C 0.960 178.428 177.584 -0.193 0.000 1.169 378 A CA 1.166 53.156 52.037 -0.078 0.000 0.638 378 A CB -0.110 18.783 19.000 -0.178 0.000 0.812 378 A HN 0.681 nan 8.150 nan 0.000 0.446 379 S N -0.978 114.572 115.700 -0.250 0.000 2.566 379 S HA 0.582 5.053 4.470 0.001 0.000 0.273 379 S C -3.459 171.067 174.600 -0.123 0.000 1.157 379 S CA -1.482 56.603 58.200 -0.192 0.000 0.938 379 S CB 2.342 65.376 63.200 -0.277 0.000 1.087 379 S HN 0.070 nan 8.310 nan 0.000 0.474 380 P HA 0.413 nan 4.420 nan 0.000 0.280 380 P C -0.145 177.150 177.300 -0.009 0.000 1.244 380 P CA -0.110 62.990 63.100 -0.000 0.000 0.784 380 P CB 0.848 32.607 31.700 0.099 0.000 0.913 381 A N 2.847 125.664 122.820 -0.005 0.000 2.386 381 A HA 0.114 4.434 4.320 0.001 0.000 0.248 381 A C 0.307 177.910 177.584 0.032 0.000 1.082 381 A CA -0.216 51.828 52.037 0.011 0.000 0.789 381 A CB -0.565 18.442 19.000 0.011 0.000 1.025 381 A HN 0.604 nan 8.150 nan 0.000 0.490 382 D N 0.469 120.889 120.400 0.034 0.000 2.493 382 D HA 0.351 4.992 4.640 0.001 0.000 0.240 382 D C 1.391 177.720 176.300 0.050 0.000 1.142 382 D CA 1.967 55.992 54.000 0.041 0.000 0.872 382 D CB 0.170 40.992 40.800 0.036 0.000 1.173 382 D HN 1.206 nan 8.370 nan 0.000 0.467 383 G N 2.167 111.000 108.800 0.055 0.000 2.179 383 G HA2 -0.211 3.749 3.960 0.001 0.000 0.260 383 G HA3 -0.211 3.749 3.960 0.001 0.000 0.260 383 G C 0.493 175.429 174.900 0.060 0.000 0.977 383 G CA 0.262 45.395 45.100 0.056 0.000 0.641 383 G HN 0.909 nan 8.290 nan 0.000 0.533 384 A N -0.330 122.529 122.820 0.064 0.000 2.366 384 A HA 0.753 5.073 4.320 0.001 0.000 0.249 384 A C 0.614 178.244 177.584 0.077 0.000 1.084 384 A CA 0.805 52.880 52.037 0.064 0.000 0.794 384 A CB 0.408 19.441 19.000 0.055 0.000 1.034 384 A HN 1.149 nan 8.150 nan 0.000 0.491 385 R N 1.035 121.575 120.500 0.067 0.000 2.295 385 R HA 0.512 4.853 4.340 0.001 0.000 0.324 385 R C -1.303 175.034 176.300 0.062 0.000 0.968 385 R CA -0.206 55.935 56.100 0.070 0.000 0.837 385 R CB 0.745 31.075 30.300 0.051 0.000 1.133 385 R HN 0.437 nan 8.270 nan 0.000 0.450 386 V N 4.329 124.291 119.914 0.080 0.000 2.607 386 V HA 0.543 4.663 4.120 0.001 0.000 0.289 386 V C 0.706 176.791 176.094 -0.016 0.000 1.053 386 V CA -0.376 61.942 62.300 0.030 0.000 0.996 386 V CB 1.220 33.057 31.823 0.024 0.000 0.995 386 V HN 1.012 nan 8.190 nan 0.000 0.476 387 A N 3.335 126.121 122.820 -0.056 0.000 2.313 387 A HA 0.425 4.746 4.320 0.001 0.000 0.261 387 A C 1.412 178.923 177.584 -0.122 0.000 1.090 387 A CA 0.301 52.296 52.037 -0.069 0.000 0.807 387 A CB 0.282 19.244 19.000 -0.064 0.000 1.055 387 A HN 1.125 nan 8.150 nan 0.000 0.492 388 S N 0.346 115.987 115.700 -0.098 0.000 2.461 388 S HA 0.242 4.712 4.470 0.001 0.000 0.228 388 S C 1.108 175.617 174.600 -0.152 0.000 1.005 388 S CA 0.443 58.570 58.200 -0.122 0.000 0.942 388 S CB -0.780 62.377 63.200 -0.073 0.000 0.776 388 S HN 1.418 nan 8.310 nan 0.000 0.514 389 A N 3.159 125.904 122.820 -0.126 0.000 2.492 389 A HA 0.450 4.771 4.320 0.001 0.000 0.236 389 A C -2.286 175.198 177.584 -0.168 0.000 1.078 389 A CA -1.047 50.919 52.037 -0.120 0.000 0.773 389 A CB -0.696 18.252 19.000 -0.086 0.000 1.023 389 A HN 0.278 nan 8.150 nan 0.000 0.504 390 P HA 0.287 nan 4.420 nan 0.000 0.268 390 P C -0.113 177.117 177.300 -0.117 0.000 1.205 390 P CA 0.209 63.224 63.100 -0.143 0.000 0.771 390 P CB 0.888 32.536 31.700 -0.086 0.000 0.858 391 T N 0.895 115.386 114.554 -0.104 0.000 2.887 391 T HA 0.526 4.876 4.350 0.001 0.000 0.292 391 T C -0.919 173.794 174.700 0.021 0.000 1.087 391 T CA -0.458 61.615 62.100 -0.044 0.000 1.009 391 T CB 0.831 69.677 68.868 -0.036 0.000 1.203 391 T HN 0.178 nan 8.240 nan 0.000 0.518 392 T N 2.237 116.786 114.554 -0.008 0.000 2.758 392 T HA 0.487 4.837 4.350 0.001 0.000 0.285 392 T C -0.279 174.401 174.700 -0.035 0.000 0.981 392 T CA -0.404 61.686 62.100 -0.017 0.000 0.965 392 T CB 0.964 69.790 68.868 -0.070 0.000 0.927 392 T HN 0.465 nan 8.240 nan 0.000 0.448 393 V N 5.469 125.385 119.914 0.003 0.000 2.470 393 V HA 0.288 4.409 4.120 0.001 0.000 0.276 393 V C 0.558 176.581 176.094 -0.119 0.000 1.040 393 V CA -0.152 62.108 62.300 -0.067 0.000 1.008 393 V CB 0.217 31.982 31.823 -0.098 0.000 0.990 393 V HN 0.694 nan 8.190 nan 0.000 0.477 394 R N 3.691 124.052 120.500 -0.232 0.000 2.393 394 R HA 0.693 5.034 4.340 0.001 0.000 0.315 394 R C -1.387 174.783 176.300 -0.217 0.000 0.952 394 R CA -0.552 55.345 56.100 -0.340 0.000 0.842 394 R CB 2.154 31.879 30.300 -0.959 0.000 1.163 394 R HN 0.515 nan 8.270 nan 0.000 0.450 395 V N 3.373 123.306 119.914 0.032 0.000 2.495 395 V HA 0.422 4.542 4.120 0.001 0.000 0.298 395 V C -0.387 175.885 176.094 0.297 0.000 1.031 395 V CA -0.883 61.468 62.300 0.086 0.000 0.871 395 V CB 1.823 33.681 31.823 0.060 0.000 0.988 395 V HN 0.559 nan 8.190 nan 0.000 0.432 396 R N 4.060 124.635 120.500 0.125 0.000 2.294 396 R HA 0.679 5.019 4.340 0.001 0.000 0.319 396 R C -1.481 174.870 176.300 0.085 0.000 0.984 396 R CA -0.287 55.916 56.100 0.171 0.000 0.861 396 R CB 1.454 31.773 30.300 0.031 0.000 1.104 396 R HN 0.473 nan 8.270 nan 0.000 0.451 397 V N 4.271 124.294 119.914 0.181 0.000 2.378 397 V HA 0.734 4.855 4.120 0.001 0.000 0.288 397 V C 0.370 176.537 176.094 0.122 0.000 1.016 397 V CA -0.536 61.825 62.300 0.103 0.000 0.840 397 V CB 1.496 33.310 31.823 -0.016 0.000 0.994 397 V HN 0.892 nan 8.190 nan 0.000 0.431 398 G N 1.898 110.764 108.800 0.111 0.000 2.481 398 G HA2 0.608 4.568 3.960 0.001 0.000 0.315 398 G HA3 0.608 4.568 3.960 0.001 0.000 0.315 398 G C 0.624 175.540 174.900 0.026 0.000 1.231 398 G CA -0.190 44.956 45.100 0.078 0.000 0.968 398 G HN 1.569 nan 8.290 nan 0.000 0.482 399 G N -1.063 107.741 108.800 0.007 0.000 2.136 399 G HA2 0.091 4.052 3.960 0.001 0.000 0.242 399 G HA3 0.091 4.052 3.960 0.001 0.000 0.242 399 G C 0.325 175.219 174.900 -0.011 0.000 0.989 399 G CA 1.175 46.268 45.100 -0.012 0.000 0.682 399 G HN 1.775 nan 8.290 nan 0.000 0.522 400 T N -0.854 113.696 114.554 -0.007 0.000 2.830 400 T HA 0.460 4.811 4.350 0.001 0.000 0.322 400 T C -1.811 172.881 174.700 -0.015 0.000 1.501 400 T CA -0.192 61.900 62.100 -0.014 0.000 1.036 400 T CB 1.428 70.284 68.868 -0.020 0.000 1.379 400 T HN 0.012 nan 8.240 nan 0.000 0.493 401 D N 1.771 122.161 120.400 -0.018 0.000 2.350 401 D HA 0.482 5.122 4.640 0.001 0.000 0.249 401 D C -0.240 176.046 176.300 -0.023 0.000 1.119 401 D CA 0.149 54.140 54.000 -0.015 0.000 0.886 401 D CB 1.484 42.277 40.800 -0.011 0.000 1.195 401 D HN 0.319 nan 8.370 nan 0.000 0.437 402 V N 2.836 122.748 119.914 -0.005 0.000 2.495 402 V HA 0.175 4.296 4.120 0.001 0.000 0.298 402 V C 1.060 177.156 176.094 0.003 0.000 1.031 402 V CA -0.564 61.699 62.300 -0.063 0.000 0.871 402 V CB 1.678 33.420 31.823 -0.134 0.000 0.988 402 V HN 0.533 nan 8.190 nan 0.000 0.432 403 Q N 3.106 122.859 119.800 -0.079 0.000 2.394 403 Q HA 0.256 4.596 4.340 0.001 0.000 0.218 403 Q C 0.610 176.587 176.000 -0.037 0.000 0.907 403 Q CA 0.573 56.380 55.803 0.008 0.000 0.919 403 Q CB 0.883 29.621 28.738 0.001 0.000 1.051 403 Q HN 0.758 nan 8.270 nan 0.000 0.538 404 S N -0.639 114.883 115.700 -0.298 0.000 2.550 404 S HA 0.683 5.154 4.470 0.001 0.000 0.270 404 S C -1.086 173.122 174.600 -0.653 0.000 1.145 404 S CA -0.765 57.201 58.200 -0.390 0.000 0.852 404 S CB 2.279 65.401 63.200 -0.129 0.000 1.119 404 S HN 0.065 nan 8.310 nan 0.000 0.465 405 V N 1.727 121.272 119.914 -0.616 0.000 2.577 405 V HA 0.700 4.821 4.120 0.001 0.000 0.303 405 V C -0.436 175.563 176.094 -0.158 0.000 1.042 405 V CA -0.366 61.675 62.300 -0.432 0.000 0.872 405 V CB 1.874 33.367 31.823 -0.549 0.000 0.998 405 V HN 1.068 nan 8.190 nan 0.000 0.423 406 T N 3.669 118.145 114.554 -0.130 0.000 2.887 406 T HA 0.703 5.053 4.350 0.001 0.000 0.288 406 T C -0.721 173.925 174.700 -0.089 0.000 1.021 406 T CA -0.486 61.567 62.100 -0.078 0.000 1.000 406 T CB 2.057 70.885 68.868 -0.067 0.000 1.034 406 T HN 0.355 nan 8.240 nan 0.000 0.467 407 V N 2.693 122.551 119.914 -0.093 0.000 2.540 407 V HA 0.425 4.546 4.120 0.001 0.000 0.302 407 V C -0.308 175.700 176.094 -0.143 0.000 1.035 407 V CA -0.762 61.457 62.300 -0.135 0.000 0.873 407 V CB 1.879 33.590 31.823 -0.186 0.000 0.992 407 V HN 0.840 nan 8.190 nan 0.000 0.428 408 E N 3.089 123.207 120.200 -0.137 0.000 2.145 408 E HA 0.522 4.872 4.350 0.001 0.000 0.270 408 E C -1.310 175.201 176.600 -0.149 0.000 0.906 408 E CA -0.511 55.821 56.400 -0.115 0.000 0.761 408 E CB 2.399 32.059 29.700 -0.066 0.000 1.116 408 E HN 0.447 nan 8.360 nan 0.000 0.408 409 V N 2.444 122.263 119.914 -0.159 0.000 2.394 409 V HA 0.629 4.750 4.120 0.001 0.000 0.282 409 V C 0.003 176.116 176.094 0.032 0.000 1.031 409 V CA -0.438 61.780 62.300 -0.136 0.000 0.881 409 V CB 1.171 32.840 31.823 -0.257 0.000 0.982 409 V HN 0.744 nan 8.190 nan 0.000 0.451 410 A N 4.526 127.401 122.820 0.092 0.000 2.454 410 A HA 0.907 5.228 4.320 0.001 0.000 0.302 410 A C -0.765 176.913 177.584 0.157 0.000 1.079 410 A CA -0.581 51.520 52.037 0.108 0.000 0.731 410 A CB 2.255 21.285 19.000 0.051 0.000 1.299 410 A HN 0.758 nan 8.150 nan 0.000 0.413 415 V N 3.759 123.693 119.914 0.034 0.000 2.529 415 V HA 0.243 4.364 4.120 0.001 0.000 0.292 415 V C 1.869 177.997 176.094 0.056 0.000 1.028 415 V CA 0.630 62.954 62.300 0.039 0.000 1.074 415 V CB 0.776 32.610 31.823 0.019 0.000 0.958 415 V HN 1.109 nan 8.190 nan 0.000 0.481 416 V N -0.121 119.845 119.914 0.086 0.000 3.643 416 V HA 0.501 4.621 4.120 0.001 0.000 0.280 416 V C 0.236 176.396 176.094 0.109 0.000 1.351 416 V CA 0.350 62.718 62.300 0.113 0.000 1.073 416 V CB 0.509 32.440 31.823 0.180 0.000 0.863 416 V HN 0.784 nan 8.190 nan 0.000 0.436 417 D N -0.361 120.084 120.400 0.075 0.000 2.836 417 D HA 0.445 5.086 4.640 0.001 0.000 0.215 417 D C -1.320 174.973 176.300 -0.012 0.000 1.255 417 D CA 0.114 54.148 54.000 0.056 0.000 0.822 417 D CB 2.492 43.361 40.800 0.115 0.000 1.656 417 D HN 0.172 nan 8.370 nan 0.000 0.511 418 T N 2.766 117.316 114.554 -0.007 0.000 2.840 418 T HA 0.584 4.934 4.350 0.001 0.000 0.287 418 T C -0.212 174.472 174.700 -0.026 0.000 0.991 418 T CA -0.493 61.589 62.100 -0.031 0.000 0.964 418 T CB 0.759 69.618 68.868 -0.015 0.000 0.954 418 T HN 0.147 nan 8.240 nan 0.000 0.438 419 L N 2.847 124.037 121.223 -0.054 0.000 2.341 419 L HA 0.553 4.894 4.340 0.001 0.000 0.278 419 L C -0.452 176.412 176.870 -0.010 0.000 1.005 419 L CA -1.105 53.717 54.840 -0.030 0.000 0.818 419 L CB 1.569 43.588 42.059 -0.065 0.000 1.259 419 L HN 0.461 nan 8.230 nan 0.000 0.418 420 D N 4.083 124.497 120.400 0.023 0.000 2.274 420 D HA 0.459 5.099 4.640 0.001 0.000 0.239 420 D C -0.249 176.110 176.300 0.098 0.000 1.104 420 D CA -0.121 53.910 54.000 0.051 0.000 0.840 420 D CB 1.730 42.563 40.800 0.056 0.000 1.100 420 D HN 0.244 nan 8.370 nan 0.000 0.477 421 L N 0.926 122.240 121.223 0.152 0.000 2.375 421 L HA 0.747 5.088 4.340 0.001 0.000 0.268 421 L C 0.443 177.568 176.870 0.425 0.000 1.058 421 L CA -1.043 53.953 54.840 0.259 0.000 0.803 421 L CB 1.189 43.427 42.059 0.299 0.000 1.212 421 L HN 0.265 nan 8.230 nan 0.000 0.451 422 A N 0.925 123.935 122.820 0.317 0.000 2.365 422 A HA 0.494 4.815 4.320 0.001 0.000 0.318 422 A C -1.296 176.208 177.584 -0.134 0.000 1.091 422 A CA -0.463 51.664 52.037 0.149 0.000 0.763 422 A CB 1.081 20.111 19.000 0.051 0.000 1.248 422 A HN 0.547 nan 8.150 nan 0.000 0.442 423 Y N 2.136 121.890 120.300 -0.909 0.000 2.526 423 Y HA 0.193 4.744 4.550 0.001 0.000 0.330 423 Y C 1.065 176.683 175.900 -0.470 0.000 1.156 423 Y CA 0.090 57.501 58.100 -1.147 0.000 1.419 423 Y CB 0.840 38.410 38.460 -1.484 0.000 1.250 423 Y HN 0.800 nan 8.280 nan 0.000 0.540 424 D N 2.461 122.370 120.400 -0.819 0.000 2.340 424 D HA 0.103 4.743 4.640 0.001 0.000 0.220 424 D C 1.576 177.462 176.300 -0.690 0.000 1.039 424 D CA 0.681 54.357 54.000 -0.540 0.000 0.866 424 D CB -0.216 40.449 40.800 -0.225 0.000 0.913 424 D HN 0.884 nan 8.370 nan 0.000 0.523 425 G N -0.630 107.378 108.800 -1.320 0.000 2.199 425 G HA2 -0.236 3.725 3.960 0.001 0.000 0.254 425 G HA3 -0.236 3.725 3.960 0.001 0.000 0.254 425 G C 0.922 175.504 174.900 -0.530 0.000 0.982 425 G CA 0.335 44.972 45.100 -0.772 0.000 0.632 425 G HN 0.978 nan 8.290 nan 0.000 0.529 426 A N -2.412 120.045 122.820 -0.605 0.000 1.895 426 A HA 0.753 5.073 4.320 0.001 0.000 0.198 426 A C 1.442 178.927 177.584 -0.164 0.000 1.709 426 A CA 1.869 53.758 52.037 -0.246 0.000 1.194 426 A CB 0.153 19.038 19.000 -0.192 0.000 1.260 426 A HN 1.209 nan 8.150 nan 0.000 0.441 427 L N -3.019 118.057 121.223 -0.245 0.000 2.195 427 L HA 0.412 4.752 4.340 0.001 0.000 0.222 427 L C -1.267 175.549 176.870 -0.091 0.000 1.132 427 L CA 0.373 55.049 54.840 -0.274 0.000 1.159 427 L CB 0.436 42.041 42.059 -0.757 0.000 2.382 427 L HN 0.393 nan 8.230 nan 0.000 0.523 428 W N -0.305 121.067 121.300 0.120 0.000 2.627 428 W HA 0.385 5.045 4.660 0.001 0.000 0.339 428 W C -1.001 175.605 176.519 0.146 0.000 1.058 428 W CA -1.165 56.282 57.345 0.170 0.000 1.223 428 W CB 0.650 30.165 29.460 0.092 0.000 1.389 428 W HN -0.070 nan 8.180 nan 0.000 0.541 429 W N 2.037 123.568 121.300 0.385 0.000 2.322 429 W HA 0.415 5.076 4.660 0.001 0.000 0.307 429 W C 0.683 177.293 176.519 0.151 0.000 1.220 429 W CA 0.088 57.585 57.345 0.254 0.000 1.210 429 W CB 1.019 30.588 29.460 0.183 0.000 1.223 429 W HN 0.053 nan 8.180 nan 0.000 0.511 430 T N 0.234 114.946 114.554 0.263 0.000 2.906 430 T HA 0.930 5.281 4.350 0.001 0.000 0.295 430 T C -0.836 173.928 174.700 0.106 0.000 1.061 430 T CA -0.956 61.225 62.100 0.134 0.000 1.000 430 T CB 2.091 71.006 68.868 0.077 0.000 1.103 430 T HN 0.742 nan 8.240 nan 0.000 0.486 431 A N 2.343 125.200 122.820 0.062 0.000 2.574 431 A HA 0.871 5.192 4.320 0.001 0.000 0.297 431 A C -3.127 174.494 177.584 0.061 0.000 1.062 431 A CA -1.736 50.336 52.037 0.059 0.000 0.686 431 A CB 1.213 20.247 19.000 0.057 0.000 1.285 431 A HN 0.725 nan 8.150 nan 0.000 0.403 432 P HA 0.338 nan 4.420 nan 0.000 0.271 432 P C -1.148 176.261 177.300 0.181 0.000 1.218 432 P CA 0.205 63.357 63.100 0.087 0.000 0.780 432 P CB 0.500 32.232 31.700 0.053 0.000 0.901 433 W N 2.166 123.428 121.300 -0.064 0.000 3.042 433 W HA 0.371 5.031 4.660 0.001 0.000 0.337 433 W C -1.377 175.091 176.519 -0.084 0.000 1.086 433 W CA -0.496 56.800 57.345 -0.081 0.000 1.236 433 W CB 1.312 30.706 29.460 -0.110 0.000 1.381 433 W HN 0.135 nan 8.180 nan 0.000 0.472 434 S N 7.322 122.839 115.700 -0.306 0.000 2.505 434 S HA 0.390 4.861 4.470 0.001 0.000 0.280 434 S C -2.070 172.124 174.600 -0.676 0.000 1.197 434 S CA -0.774 57.161 58.200 -0.441 0.000 1.138 434 S CB 0.630 63.721 63.200 -0.183 0.000 1.010 434 S HN 0.255 nan 8.310 nan 0.000 0.480 446 T N 2.571 117.244 114.554 0.198 0.000 2.772 446 T HA 0.638 4.988 4.350 0.001 0.000 0.288 446 T C -1.513 173.199 174.700 0.020 0.000 0.994 446 T CA -0.469 61.682 62.100 0.086 0.000 0.951 446 T CB 0.336 69.234 68.868 0.050 0.000 0.933 446 T HN 0.379 nan 8.240 nan 0.000 0.447 447 V N 6.137 126.027 119.914 -0.041 0.000 2.328 447 V HA 0.429 4.549 4.120 0.001 0.000 0.278 447 V C 0.323 176.350 176.094 -0.113 0.000 1.021 447 V CA -0.648 61.556 62.300 -0.159 0.000 0.838 447 V CB 1.397 33.064 31.823 -0.260 0.000 0.999 447 V HN 0.951 nan 8.190 nan 0.000 0.447 448 T N 4.715 119.201 114.554 -0.113 0.000 2.770 448 T HA 0.679 5.030 4.350 0.001 0.000 0.283 448 T C 0.145 174.788 174.700 -0.095 0.000 0.988 448 T CA -0.251 61.802 62.100 -0.079 0.000 0.957 448 T CB 1.507 70.342 68.868 -0.054 0.000 0.930 448 T HN 0.819 nan 8.240 nan 0.000 0.443 449 A N 3.163 125.934 122.820 -0.081 0.000 2.301 449 A HA 0.728 5.048 4.320 0.001 0.000 0.312 449 A C 0.184 177.721 177.584 -0.078 0.000 1.182 449 A CA -0.620 51.365 52.037 -0.086 0.000 0.826 449 A CB 0.534 19.488 19.000 -0.077 0.000 1.134 449 A HN 0.695 nan 8.150 nan 0.000 0.501 450 T N 1.761 116.257 114.554 -0.096 0.000 2.840 450 T HA 0.628 4.978 4.350 0.001 0.000 0.287 450 T C -0.315 174.299 174.700 -0.143 0.000 0.991 450 T CA -0.014 62.028 62.100 -0.097 0.000 0.964 450 T CB 1.431 70.251 68.868 -0.080 0.000 0.954 450 T HN 1.092 nan 8.240 nan 0.000 0.438 451 A N 2.755 125.484 122.820 -0.151 0.000 2.303 451 A HA 0.700 5.020 4.320 0.001 0.000 0.320 451 A C 0.236 177.713 177.584 -0.177 0.000 1.192 451 A CA -0.744 51.159 52.037 -0.224 0.000 0.821 451 A CB 0.609 19.465 19.000 -0.239 0.000 1.188 451 A HN 0.666 nan 8.150 nan 0.000 0.492 452 T N 2.862 117.295 114.554 -0.201 0.000 2.727 452 T HA 0.548 4.899 4.350 0.001 0.000 0.298 452 T C 0.459 175.075 174.700 -0.141 0.000 0.942 452 T CA 0.232 62.248 62.100 -0.140 0.000 0.997 452 T CB 0.353 69.151 68.868 -0.116 0.000 0.917 452 T HN 0.971 nan 8.240 nan 0.000 0.487 453 T N -0.538 113.957 114.554 -0.099 0.000 2.864 453 T HA 0.692 5.043 4.350 0.001 0.000 0.289 453 T C 1.369 176.039 174.700 -0.050 0.000 1.082 453 T CA -0.476 61.575 62.100 -0.081 0.000 1.009 453 T CB 1.437 70.258 68.868 -0.078 0.000 1.234 453 T HN 0.288 nan 8.240 nan 0.000 0.526 454 A N 0.075 122.872 122.820 -0.037 0.000 2.172 454 A HA 0.457 4.778 4.320 0.001 0.000 0.216 454 A C 2.046 179.617 177.584 -0.023 0.000 1.154 454 A CA 1.172 53.194 52.037 -0.025 0.000 0.701 454 A CB -1.063 17.926 19.000 -0.019 0.000 0.789 454 A HN 1.325 nan 8.150 nan 0.000 0.465 455 A N -1.481 121.323 122.820 -0.026 0.000 2.465 455 A HA 0.535 4.855 4.320 0.001 0.000 0.255 455 A C 1.167 178.736 177.584 -0.024 0.000 1.274 455 A CA 0.910 52.934 52.037 -0.022 0.000 0.920 455 A CB -0.739 18.249 19.000 -0.020 0.000 1.033 455 A HN 1.970 nan 8.150 nan 0.000 0.516 456 G N -1.240 107.542 108.800 -0.030 0.000 2.526 456 G HA2 -0.014 3.947 3.960 0.001 0.000 0.250 456 G HA3 -0.014 3.947 3.960 0.001 0.000 0.250 456 G C -0.311 174.564 174.900 -0.042 0.000 1.289 456 G CA -0.401 44.680 45.100 -0.031 0.000 0.947 456 G HN 0.547 nan 8.290 nan 0.000 0.517 457 T N 1.470 116.000 114.554 -0.040 0.000 2.729 457 T HA 0.562 4.913 4.350 0.001 0.000 0.296 457 T C 0.494 175.168 174.700 -0.042 0.000 0.928 457 T CA 0.085 62.156 62.100 -0.049 0.000 1.045 457 T CB 0.339 69.180 68.868 -0.044 0.000 0.902 457 T HN 0.574 nan 8.240 nan 0.000 0.500 458 L N 4.320 125.512 121.223 -0.052 0.000 2.325 458 L HA 0.698 5.039 4.340 0.001 0.000 0.278 458 L C -0.144 176.701 176.870 -0.041 0.000 1.023 458 L CA -1.024 53.793 54.840 -0.037 0.000 0.811 458 L CB 1.467 43.506 42.059 -0.032 0.000 1.249 458 L HN 0.673 nan 8.230 nan 0.000 0.431 459 D N 1.125 121.511 120.400 -0.023 0.000 2.579 459 D HA 0.692 5.333 4.640 0.001 0.000 0.257 459 D C -1.198 175.100 176.300 -0.002 0.000 1.176 459 D CA -0.720 53.266 54.000 -0.023 0.000 0.914 459 D CB 2.496 43.277 40.800 -0.031 0.000 1.431 459 D HN 0.280 nan 8.370 nan 0.000 0.454 460 V N -0.817 119.094 119.914 -0.005 0.000 3.048 460 V HA 0.689 4.810 4.120 0.001 0.000 0.303 460 V C -1.595 174.497 176.094 -0.003 0.000 1.214 460 V CA -0.244 62.064 62.300 0.012 0.000 0.984 460 V CB 2.362 34.211 31.823 0.043 0.000 1.054 460 V HN 0.853 nan 8.190 nan 0.000 0.430 461 T N 5.088 119.645 114.554 0.004 0.000 2.841 461 T HA 0.550 4.900 4.350 0.001 0.000 0.285 461 T C -0.791 173.913 174.700 0.007 0.000 0.991 461 T CA -0.454 61.644 62.100 -0.004 0.000 0.966 461 T CB 1.097 69.964 68.868 -0.001 0.000 0.962 461 T HN 0.679 nan 8.240 nan 0.000 0.438 462 N N 2.238 120.937 118.700 -0.002 0.000 2.399 462 N HA 0.349 5.090 4.740 0.001 0.000 0.295 462 N C -0.504 175.022 175.510 0.025 0.000 1.048 462 N CA -0.615 52.443 53.050 0.012 0.000 0.886 462 N CB 1.604 40.094 38.487 0.005 0.000 1.185 462 N HN 0.616 nan 8.380 nan 0.000 0.487 463 E N 1.008 121.234 120.200 0.043 0.000 2.151 463 E HA 0.469 4.820 4.350 0.001 0.000 0.275 463 E C -0.989 175.662 176.600 0.085 0.000 0.936 463 E CA -0.767 55.671 56.400 0.064 0.000 0.777 463 E CB 1.015 30.745 29.700 0.050 0.000 1.108 463 E HN 0.423 nan 8.360 nan 0.000 0.401 464 V N 0.739 120.734 119.914 0.135 0.000 2.876 464 V HA 0.896 5.017 4.120 0.001 0.000 0.312 464 V C -0.122 176.087 176.094 0.192 0.000 1.085 464 V CA -0.846 61.552 62.300 0.164 0.000 0.945 464 V CB 1.362 33.306 31.823 0.202 0.000 1.017 464 V HN 0.736 nan 8.190 nan 0.000 0.428 465 A N 0.000 122.907 122.820 0.145 0.000 2.254 465 A HA 0.000 4.321 4.320 0.001 0.000 0.244 465 A CA 0.000 52.104 52.037 0.112 0.000 0.836 465 A CB 0.000 19.040 19.000 0.067 0.000 0.831 465 A HN 0.000 nan 8.150 nan 0.000 0.486