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 2x5d_1_B DATA FIRST_RESID 20 DATA SEQUENCE VFNITAELKM AARRRGEDII DLSMGNPDGP TPPHIVEKLC TVAQXXXXXX DATA SEQUENCE XXXSRGIPRL RRAISHWYRD RYDVQIDPES EAIVTIGSKE GLAHLMLATL DATA SEQUENCE DHGDTILVPN PSYPIHIYGA VIAGAQVRSV PLVPGIDFFN ELERAIRESI DATA SEQUENCE PKPRMMILGF PSNPTAQCVE LDFFERVVAL AKQYDVMVVH DLAYADIVYD DATA SEQUENCE GWKAPSIMQV PGAKDIAVEF FTLSKSYNMA GWRIGFMVGN PELVSALARI DATA SEQUENCE KSYHDYXXXX PLQVAAIAAL EGDQQCVRDI ARQYQQRRDV LVKGLREAGW DATA SEQUENCE MVENPKASMY VWAKIPEPYA HLGSLEFAKK LLQDAKVSVS PGIGFGDYGD DATA SEQUENCE DHVRFALIEN RDRLRQAVRG IKAMFRADGL 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 20 V HA 0.000 nan 4.120 nan 0.000 0.244 20 V C 0.000 175.963 176.094 -0.218 0.000 1.182 20 V CA 0.000 62.125 62.300 -0.292 0.000 1.235 20 V CB 0.000 31.625 31.823 -0.331 0.000 1.184 21 F N 4.652 124.549 119.950 -0.087 0.000 2.171 21 F HA -0.023 4.504 4.527 0.000 0.000 0.300 21 F C 2.599 178.372 175.800 -0.045 0.000 1.090 21 F CA 2.065 60.022 58.000 -0.071 0.000 1.293 21 F CB -0.980 37.965 39.000 -0.091 0.000 1.013 21 F HN 0.574 nan 8.300 nan 0.000 0.486 22 N N 1.344 120.115 118.700 0.118 0.000 2.149 22 N HA -0.224 4.516 4.740 0.000 0.000 0.188 22 N C 1.743 177.272 175.510 0.033 0.000 1.019 22 N CA 1.769 54.853 53.050 0.058 0.000 0.857 22 N CB -1.177 37.325 38.487 0.026 0.000 0.997 22 N HN 0.355 nan 8.380 nan 0.000 0.426 23 I N 1.080 121.657 120.570 0.011 0.000 2.179 23 I HA -0.239 3.931 4.170 0.000 0.000 0.242 23 I C 2.164 178.292 176.117 0.018 0.000 1.088 23 I CA 1.938 63.239 61.300 0.002 0.000 1.357 23 I CB -0.650 37.338 38.000 -0.021 0.000 1.051 23 I HN 0.362 nan 8.210 nan 0.000 0.409 24 T N -1.376 113.203 114.554 0.042 0.000 3.067 24 T HA 0.148 4.498 4.350 0.000 0.000 0.261 24 T C 1.805 176.533 174.700 0.048 0.000 1.110 24 T CA 0.632 62.761 62.100 0.049 0.000 1.113 24 T CB -0.108 68.810 68.868 0.083 0.000 0.917 24 T HN 0.320 nan 8.240 nan 0.000 0.499 25 A N 1.520 124.376 122.820 0.059 0.000 2.016 25 A HA 0.065 4.385 4.320 0.000 0.000 0.217 25 A C 2.394 179.992 177.584 0.022 0.000 1.162 25 A CA 0.641 52.702 52.037 0.040 0.000 0.662 25 A CB -0.221 18.807 19.000 0.047 0.000 0.812 25 A HN 0.400 nan 8.150 nan 0.000 0.450 26 E N -0.150 120.062 120.200 0.019 0.000 2.190 26 E HA 0.048 4.398 4.350 0.000 0.000 0.191 26 E C 1.954 178.557 176.600 0.005 0.000 0.978 26 E CA 0.336 56.742 56.400 0.010 0.000 0.839 26 E CB -0.174 29.531 29.700 0.008 0.000 0.787 26 E HN 0.621 nan 8.360 nan 0.000 0.473 27 L N 1.125 122.351 121.223 0.005 0.000 2.093 27 L HA -0.145 4.195 4.340 0.000 0.000 0.208 27 L C 2.704 179.572 176.870 -0.004 0.000 1.085 27 L CA 1.139 55.978 54.840 -0.002 0.000 0.755 27 L CB -0.346 41.710 42.059 -0.005 0.000 0.904 27 L HN 0.063 nan 8.230 nan 0.000 0.435 28 K N -0.009 120.390 120.400 -0.002 0.000 2.026 28 K HA -0.204 4.116 4.320 0.000 0.000 0.208 28 K C 2.134 178.733 176.600 -0.003 0.000 1.048 28 K CA 1.385 57.669 56.287 -0.005 0.000 0.929 28 K CB 0.059 32.559 32.500 -0.000 0.000 0.713 28 K HN 0.119 nan 8.250 nan 0.000 0.439 29 M N 0.275 119.876 119.600 0.000 0.000 2.419 29 M HA 0.022 4.503 4.480 0.000 0.000 0.264 29 M C 2.155 178.454 176.300 -0.001 0.000 1.082 29 M CA 0.998 56.298 55.300 0.000 0.000 1.119 29 M CB -0.675 31.927 32.600 0.002 0.000 1.398 29 M HN 0.295 nan 8.290 nan 0.000 0.453 30 A N -0.117 122.702 122.820 -0.002 0.000 1.970 30 A HA 0.180 4.500 4.320 0.000 0.000 0.216 30 A C 2.390 179.972 177.584 -0.004 0.000 1.170 30 A CA 1.494 53.529 52.037 -0.003 0.000 0.645 30 A CB -0.580 18.419 19.000 -0.002 0.000 0.816 30 A HN 0.419 nan 8.150 nan 0.000 0.447 31 A N -0.196 122.620 122.820 -0.006 0.000 1.897 31 A HA -0.080 4.240 4.320 0.000 0.000 0.215 31 A C 2.223 179.803 177.584 -0.007 0.000 1.181 31 A CA 1.240 53.272 52.037 -0.008 0.000 0.620 31 A CB -0.388 18.604 19.000 -0.013 0.000 0.821 31 A HN 0.456 nan 8.150 nan 0.000 0.443 32 R N -1.311 119.185 120.500 -0.006 0.000 2.189 32 R HA -0.012 4.329 4.340 0.000 0.000 0.218 32 R C 2.207 178.505 176.300 -0.003 0.000 1.074 32 R CA 0.880 56.977 56.100 -0.004 0.000 0.991 32 R CB -0.139 30.159 30.300 -0.003 0.000 0.883 32 R HN 0.329 nan 8.270 nan 0.000 0.457 33 R N 0.923 121.422 120.500 -0.003 0.000 2.152 33 R HA -0.047 4.293 4.340 0.000 0.000 0.232 33 R C 1.702 178.001 176.300 -0.003 0.000 1.117 33 R CA 1.380 57.478 56.100 -0.003 0.000 0.981 33 R CB -0.143 30.155 30.300 -0.002 0.000 0.870 33 R HN -0.021 nan 8.270 nan 0.000 0.451 34 R N -1.259 119.239 120.500 -0.003 0.000 2.334 34 R HA 0.111 4.452 4.340 0.000 0.000 0.216 34 R C 0.068 176.366 176.300 -0.003 0.000 0.905 34 R CA 0.676 56.774 56.100 -0.003 0.000 1.064 34 R CB 0.429 30.727 30.300 -0.004 0.000 1.046 34 R HN 0.414 nan 8.270 nan 0.000 0.508 35 G N 1.394 110.192 108.800 -0.003 0.000 2.137 35 G HA2 -0.263 3.698 3.960 0.000 0.000 0.237 35 G HA3 -0.263 3.698 3.960 0.000 0.000 0.237 35 G C -0.373 174.525 174.900 -0.004 0.000 1.002 35 G CA 0.024 45.122 45.100 -0.003 0.000 0.702 35 G HN 0.418 nan 8.290 nan 0.000 0.515 36 E N -0.006 120.190 120.200 -0.005 0.000 2.313 36 E HA 0.339 4.689 4.350 0.000 0.000 0.272 36 E C -0.520 176.076 176.600 -0.007 0.000 1.038 36 E CA -0.601 55.795 56.400 -0.007 0.000 0.863 36 E CB 0.848 30.543 29.700 -0.010 0.000 1.060 36 E HN 0.112 nan 8.360 nan 0.000 0.402 37 D N 3.189 123.585 120.400 -0.007 0.000 2.563 37 D HA 0.093 4.734 4.640 0.000 0.000 0.222 37 D C -0.732 175.563 176.300 -0.008 0.000 1.145 37 D CA -0.381 53.615 54.000 -0.006 0.000 1.001 37 D CB -0.171 40.626 40.800 -0.005 0.000 1.049 37 D HN 0.197 nan 8.370 nan 0.000 0.515 38 I N 4.032 124.597 120.570 -0.008 0.000 2.379 38 I HA 0.149 4.320 4.170 0.000 0.000 0.290 38 I C 0.847 176.960 176.117 -0.006 0.000 1.063 38 I CA -0.611 60.682 61.300 -0.011 0.000 1.351 38 I CB 0.519 38.511 38.000 -0.014 0.000 1.410 38 I HN 0.223 nan 8.210 nan 0.000 0.505 39 I N 5.660 126.226 120.570 -0.005 0.000 2.406 39 I HA 0.001 4.171 4.170 0.000 0.000 0.293 39 I C 0.494 176.614 176.117 0.004 0.000 1.101 39 I CA -0.065 61.238 61.300 0.005 0.000 1.334 39 I CB 0.123 38.131 38.000 0.013 0.000 1.421 39 I HN 0.438 nan 8.210 nan 0.000 0.513 40 D N 8.189 128.594 120.400 0.009 0.000 2.422 40 D HA 0.196 4.836 4.640 0.000 0.000 0.227 40 D C 0.138 176.452 176.300 0.023 0.000 1.190 40 D CA -0.003 54.002 54.000 0.008 0.000 0.905 40 D CB 0.556 41.362 40.800 0.010 0.000 1.034 40 D HN 0.421 nan 8.370 nan 0.000 0.507 41 L N 2.894 124.125 121.223 0.014 0.000 3.094 41 L HA 0.170 4.510 4.340 0.000 0.000 0.254 41 L C 1.407 178.288 176.870 0.018 0.000 1.298 41 L CA -0.202 54.664 54.840 0.043 0.000 1.050 41 L CB 0.060 42.175 42.059 0.094 0.000 1.420 41 L HN 0.296 nan 8.230 nan 0.000 0.548 42 S N -1.741 113.967 115.700 0.013 0.000 2.575 42 S HA 0.273 4.743 4.470 0.000 0.000 0.230 42 S C 0.933 175.535 174.600 0.002 0.000 1.062 42 S CA -0.395 57.810 58.200 0.009 0.000 0.913 42 S CB 0.412 63.613 63.200 0.003 0.000 0.837 42 S HN 0.108 nan 8.310 nan 0.000 0.487 43 M N 1.710 121.315 119.600 0.008 0.000 2.163 43 M HA 0.387 4.867 4.480 0.000 0.000 0.305 43 M C 0.959 177.287 176.300 0.047 0.000 1.166 43 M CA 0.503 55.800 55.300 -0.005 0.000 1.132 43 M CB 0.173 32.778 32.600 0.008 0.000 1.413 43 M HN 0.385 nan 8.290 nan 0.000 0.478 44 G N 1.476 110.300 108.800 0.039 0.000 4.433 44 G HA2 0.208 4.168 3.960 0.000 0.000 0.304 44 G HA3 0.208 4.168 3.960 0.000 0.000 0.304 44 G C -0.357 174.591 174.900 0.080 0.000 1.254 44 G CA -0.293 44.895 45.100 0.148 0.000 0.999 44 G HN 0.568 nan 8.290 nan 0.000 0.576 45 N N 1.505 120.239 118.700 0.057 0.000 2.443 45 N HA 0.429 5.170 4.740 0.000 0.000 0.269 45 N C -2.735 172.820 175.510 0.074 0.000 0.985 45 N CA -1.519 51.561 53.050 0.051 0.000 0.921 45 N CB 2.122 40.631 38.487 0.036 0.000 1.195 45 N HN -0.066 nan 8.380 nan 0.000 0.492 46 P HA -0.027 nan 4.420 nan 0.000 0.261 46 P C 0.570 177.922 177.300 0.086 0.000 1.173 46 P CA 0.201 63.384 63.100 0.138 0.000 0.760 46 P CB 0.706 32.484 31.700 0.131 0.000 0.783 47 D N 1.977 122.423 120.400 0.075 0.000 2.333 47 D HA -0.016 4.624 4.640 0.000 0.000 0.208 47 D C 0.861 177.172 176.300 0.019 0.000 0.984 47 D CA 0.159 54.184 54.000 0.042 0.000 0.873 47 D CB -0.094 40.726 40.800 0.034 0.000 0.935 47 D HN 0.395 nan 8.370 nan 0.000 0.521 48 G N 1.954 110.752 108.800 -0.003 0.000 2.572 48 G HA2 0.365 4.325 3.960 0.000 0.000 0.261 48 G HA3 0.365 4.325 3.960 0.000 0.000 0.261 48 G C -2.332 172.559 174.900 -0.014 0.000 1.197 48 G CA -0.854 44.224 45.100 -0.038 0.000 0.870 48 G HN 0.067 nan 8.290 nan 0.000 0.548 49 P HA 0.204 nan 4.420 nan 0.000 0.280 49 P C -0.029 177.260 177.300 -0.019 0.000 1.244 49 P CA -0.187 62.912 63.100 -0.001 0.000 0.784 49 P CB 0.909 32.606 31.700 -0.004 0.000 0.913 50 T N 4.953 119.502 114.554 -0.007 0.000 2.916 50 T HA 0.163 4.513 4.350 0.000 0.000 0.303 50 T C -2.098 172.543 174.700 -0.098 0.000 1.025 50 T CA -0.670 61.378 62.100 -0.087 0.000 1.142 50 T CB -0.789 68.004 68.868 -0.124 0.000 0.947 50 T HN 0.342 nan 8.240 nan 0.000 0.544 51 P HA 0.033 nan 4.420 nan 0.000 0.260 51 P C -1.586 175.579 177.300 -0.226 0.000 1.172 51 P CA -1.120 61.885 63.100 -0.159 0.000 0.760 51 P CB 0.139 31.702 31.700 -0.228 0.000 0.773 52 P HA -0.227 nan 4.420 nan 0.000 0.218 52 P C 1.347 178.640 177.300 -0.012 0.000 1.148 52 P CA 1.670 64.762 63.100 -0.013 0.000 0.822 52 P CB -0.448 31.277 31.700 0.043 0.000 0.784 53 H N -0.221 118.859 119.070 0.017 0.000 2.421 53 H HA -0.013 4.543 4.556 0.000 0.000 0.298 53 H C 1.955 177.290 175.328 0.011 0.000 1.087 53 H CA 0.832 56.889 56.048 0.015 0.000 1.330 53 H CB -1.211 28.558 29.762 0.011 0.000 1.388 53 H HN 0.161 nan 8.280 nan 0.000 0.526 54 I N 0.964 121.253 120.570 -0.468 0.000 2.286 54 I HA -0.189 3.981 4.170 0.000 0.000 0.245 54 I C 2.644 178.732 176.117 -0.048 0.000 1.104 54 I CA 0.702 61.828 61.300 -0.290 0.000 1.397 54 I CB -0.086 37.620 38.000 -0.491 0.000 1.072 54 I HN 0.050 nan 8.210 nan 0.000 0.417 55 V N 0.740 120.654 119.914 -0.000 0.000 2.427 55 V HA -0.274 3.846 4.120 0.000 0.000 0.248 55 V C 2.451 178.611 176.094 0.110 0.000 1.051 55 V CA 1.939 64.340 62.300 0.169 0.000 1.048 55 V CB -0.653 31.255 31.823 0.141 0.000 0.666 55 V HN 0.482 nan 8.190 nan 0.000 0.456 56 E N 0.519 120.758 120.200 0.064 0.000 2.051 56 E HA -0.310 4.041 4.350 0.000 0.000 0.192 56 E C 2.202 178.837 176.600 0.059 0.000 0.991 56 E CA 1.541 57.975 56.400 0.058 0.000 0.799 56 E CB -0.048 29.687 29.700 0.059 0.000 0.748 56 E HN 0.410 nan 8.360 nan 0.000 0.449 57 K N 0.545 120.984 120.400 0.066 0.000 2.209 57 K HA -0.148 4.172 4.320 0.000 0.000 0.204 57 K C 1.994 178.634 176.600 0.068 0.000 1.048 57 K CA 0.744 57.068 56.287 0.062 0.000 0.940 57 K CB -0.415 32.122 32.500 0.061 0.000 0.729 57 K HN 0.181 nan 8.250 nan 0.000 0.451 58 L N 0.166 121.449 121.223 0.100 0.000 2.027 58 L HA -0.158 4.182 4.340 0.000 0.000 0.206 58 L C 1.898 178.785 176.870 0.028 0.000 1.074 58 L CA 1.733 56.624 54.840 0.084 0.000 0.745 58 L CB -0.988 41.146 42.059 0.125 0.000 0.898 58 L HN 0.268 nan 8.230 nan 0.000 0.433 59 C N -0.611 118.707 119.300 0.030 0.000 2.413 59 C HA -0.174 4.287 4.460 0.000 0.000 0.277 59 C C 2.609 177.605 174.990 0.010 0.000 1.265 59 C CA 1.481 60.506 59.018 0.011 0.000 1.752 59 C CB -1.393 26.357 27.740 0.017 0.000 1.998 59 C HN 0.667 nan 8.230 nan 0.000 0.489 60 T N 0.387 114.953 114.554 0.019 0.000 2.737 60 T HA -0.129 4.221 4.350 0.000 0.000 0.265 60 T C 1.823 176.529 174.700 0.010 0.000 1.038 60 T CA 1.450 63.559 62.100 0.016 0.000 1.144 60 T CB -0.406 68.475 68.868 0.022 0.000 0.866 60 T HN 0.342 nan 8.240 nan 0.000 0.434 61 V N 1.739 121.661 119.914 0.013 0.000 2.490 61 V HA -0.157 3.963 4.120 0.000 0.000 0.250 61 V C 2.819 178.910 176.094 -0.005 0.000 1.061 61 V CA 1.594 63.898 62.300 0.007 0.000 1.064 61 V CB -1.069 30.762 31.823 0.013 0.000 0.670 61 V HN 0.554 nan 8.190 nan 0.000 0.461 62 A N -1.006 121.807 122.820 -0.012 0.000 2.066 62 A HA -0.130 4.190 4.320 0.000 0.000 0.218 62 A C 1.634 179.208 177.584 -0.017 0.000 1.157 62 A CA 0.841 52.864 52.037 -0.023 0.000 0.670 62 A CB -0.256 18.723 19.000 -0.034 0.000 0.804 62 A HN 0.638 nan 8.150 nan 0.000 0.453 74 R N 1.576 122.106 120.500 0.049 0.000 2.310 74 R HA 0.477 4.817 4.340 0.000 0.000 0.202 74 R C 0.936 177.280 176.300 0.073 0.000 0.933 74 R CA 0.690 56.824 56.100 0.056 0.000 1.054 74 R CB 0.623 30.944 30.300 0.034 0.000 0.985 74 R HN 0.441 nan 8.270 nan 0.000 0.489 75 G N 1.117 109.963 108.800 0.077 0.000 2.629 75 G HA2 -0.189 3.771 3.960 0.000 0.000 0.686 75 G HA3 -0.189 3.771 3.960 0.000 0.000 0.686 75 G C -0.371 174.563 174.900 0.057 0.000 1.232 75 G CA -1.112 44.035 45.100 0.079 0.000 0.803 75 G HN 0.109 nan 8.290 nan 0.000 0.638 76 I N 2.215 122.817 120.570 0.053 0.000 2.906 76 I HA -0.033 4.137 4.170 0.000 0.000 0.301 76 I C -0.538 175.599 176.117 0.033 0.000 1.221 76 I CA -0.732 60.593 61.300 0.041 0.000 1.435 76 I CB 0.746 38.769 38.000 0.039 0.000 1.345 76 I HN 0.383 nan 8.210 nan 0.000 0.558 77 P HA -0.217 nan 4.420 nan 0.000 0.215 77 P C 1.611 178.925 177.300 0.023 0.000 1.157 77 P CA 1.383 64.496 63.100 0.021 0.000 0.874 77 P CB -0.001 31.712 31.700 0.021 0.000 0.790 78 R N -0.631 119.887 120.500 0.029 0.000 2.103 78 R HA -0.184 4.156 4.340 0.000 0.000 0.242 78 R C 2.119 178.439 176.300 0.033 0.000 1.142 78 R CA 1.409 57.531 56.100 0.036 0.000 0.960 78 R CB -1.062 29.258 30.300 0.033 0.000 0.858 78 R HN 0.079 nan 8.270 nan 0.000 0.439 79 L N 0.955 122.193 121.223 0.025 0.000 2.093 79 L HA -0.076 4.264 4.340 0.000 0.000 0.208 79 L C 2.045 178.902 176.870 -0.022 0.000 1.085 79 L CA 1.678 56.527 54.840 0.016 0.000 0.755 79 L CB -0.302 41.780 42.059 0.038 0.000 0.904 79 L HN 0.101 nan 8.230 nan 0.000 0.435 80 R N -0.981 119.507 120.500 -0.019 0.000 2.115 80 R HA -0.068 4.272 4.340 0.000 0.000 0.230 80 R C 2.277 178.543 176.300 -0.057 0.000 1.111 80 R CA 1.107 57.174 56.100 -0.056 0.000 0.976 80 R CB -0.218 30.066 30.300 -0.027 0.000 0.870 80 R HN 0.384 nan 8.270 nan 0.000 0.445 81 R N 0.199 120.694 120.500 -0.009 0.000 2.092 81 R HA -0.031 4.309 4.340 0.000 0.000 0.231 81 R C 2.275 178.631 176.300 0.094 0.000 1.119 81 R CA 1.247 57.357 56.100 0.017 0.000 0.970 81 R CB -0.243 30.114 30.300 0.095 0.000 0.864 81 R HN 0.172 nan 8.270 nan 0.000 0.440 82 A N 1.800 124.676 122.820 0.094 0.000 1.898 82 A HA -0.139 4.181 4.320 0.000 0.000 0.216 82 A C 2.220 179.844 177.584 0.066 0.000 1.181 82 A CA 1.392 53.505 52.037 0.127 0.000 0.620 82 A CB -0.549 18.481 19.000 0.050 0.000 0.819 82 A HN 0.389 nan 8.150 nan 0.000 0.442 83 I N -2.696 117.794 120.570 -0.133 0.000 2.286 83 I HA -0.138 4.032 4.170 0.000 0.000 0.248 83 I C 2.373 178.557 176.117 0.112 0.000 1.115 83 I CA 1.778 62.920 61.300 -0.264 0.000 1.392 83 I CB -0.709 36.798 38.000 -0.822 0.000 1.065 83 I HN 0.183 nan 8.210 nan 0.000 0.418 84 S N 0.715 116.432 115.700 0.028 0.000 2.356 84 S HA -0.252 4.218 4.470 0.000 0.000 0.223 84 S C 2.033 176.664 174.600 0.052 0.000 1.032 84 S CA 1.895 60.106 58.200 0.017 0.000 1.005 84 S CB -0.591 62.515 63.200 -0.157 0.000 0.867 84 S HN 0.672 nan 8.310 nan 0.000 0.449 85 H N -1.574 117.571 119.070 0.126 0.000 2.352 85 H HA -0.102 4.455 4.556 0.001 0.000 0.299 85 H C 1.702 177.119 175.328 0.148 0.000 1.097 85 H CA 1.993 58.108 56.048 0.111 0.000 1.311 85 H CB -0.340 29.470 29.762 0.080 0.000 1.377 85 H HN 0.599 nan 8.280 nan 0.000 0.504 86 W N 0.800 122.147 121.300 0.078 0.000 2.335 86 W HA -0.297 4.363 4.660 0.000 0.000 0.311 86 W C 1.601 178.071 176.519 -0.081 0.000 1.213 86 W CA 1.673 58.994 57.345 -0.040 0.000 1.274 86 W CB -0.692 28.710 29.460 -0.097 0.000 1.148 86 W HN 0.170 nan 8.180 nan 0.000 0.498 87 Y N 0.090 120.540 120.300 0.249 0.000 2.293 87 Y HA -0.173 4.377 4.550 0.001 0.000 0.291 87 Y C 2.682 178.601 175.900 0.032 0.000 1.137 87 Y CA 1.987 60.177 58.100 0.149 0.000 1.202 87 Y CB -0.346 38.242 38.460 0.214 0.000 0.990 87 Y HN -0.126 nan 8.280 nan 0.000 0.537 88 R N -0.279 120.318 120.500 0.162 0.000 2.062 88 R HA -0.124 4.217 4.340 0.000 0.000 0.229 88 R C 1.476 177.767 176.300 -0.015 0.000 1.128 88 R CA 1.571 57.717 56.100 0.076 0.000 0.960 88 R CB -0.243 30.101 30.300 0.073 0.000 0.855 88 R HN 0.288 nan 8.270 nan 0.000 0.432 89 D N 0.052 120.415 120.400 -0.061 0.000 2.149 89 D HA -0.073 4.567 4.640 0.000 0.000 0.201 89 D C 1.930 178.052 176.300 -0.297 0.000 0.972 89 D CA 1.125 55.046 54.000 -0.132 0.000 0.835 89 D CB 0.040 40.786 40.800 -0.090 0.000 0.966 89 D HN 0.153 nan 8.370 nan 0.000 0.476 90 R N -0.993 119.177 120.500 -0.549 0.000 2.080 90 R HA 0.058 4.398 4.340 0.000 0.000 0.222 90 R C 1.201 177.007 176.300 -0.822 0.000 1.107 90 R CA 0.784 56.324 56.100 -0.935 0.000 0.980 90 R CB 0.015 29.275 30.300 -1.734 0.000 0.879 90 R HN 0.292 nan 8.270 nan 0.000 0.439 91 Y N -0.896 119.301 120.300 -0.171 0.000 2.527 91 Y HA 0.186 4.736 4.550 0.001 0.000 0.247 91 Y C -0.262 175.629 175.900 -0.015 0.000 1.138 91 Y CA -0.630 57.427 58.100 -0.072 0.000 1.228 91 Y CB 0.794 39.241 38.460 -0.022 0.000 1.252 91 Y HN -0.027 nan 8.280 nan 0.000 0.531 92 D N 1.054 121.501 120.400 0.078 0.000 2.708 92 D HA -0.154 4.486 4.640 0.000 0.000 0.236 92 D C -1.099 175.255 176.300 0.090 0.000 1.146 92 D CA 0.443 54.480 54.000 0.063 0.000 0.662 92 D CB -0.886 39.938 40.800 0.040 0.000 1.059 92 D HN 0.037 nan 8.370 nan 0.000 0.428 93 V N 0.908 120.906 119.914 0.140 0.000 2.513 93 V HA 0.350 4.471 4.120 0.000 0.000 0.299 93 V C 0.557 176.689 176.094 0.063 0.000 1.035 93 V CA -0.670 61.693 62.300 0.106 0.000 0.889 93 V CB 1.845 33.757 31.823 0.149 0.000 0.988 93 V HN 0.183 nan 8.190 nan 0.000 0.440 94 Q N 4.067 123.870 119.800 0.005 0.000 2.314 94 Q HA 0.443 4.783 4.340 0.000 0.000 0.257 94 Q C -1.278 174.682 176.000 -0.066 0.000 0.975 94 Q CA -0.334 55.457 55.803 -0.020 0.000 0.933 94 Q CB 0.814 29.539 28.738 -0.022 0.000 1.195 94 Q HN 0.543 nan 8.270 nan 0.000 0.426 95 I N 3.876 124.404 120.570 -0.071 0.000 2.439 95 I HA 0.162 4.332 4.170 0.000 0.000 0.285 95 I C -0.528 175.537 176.117 -0.087 0.000 1.021 95 I CA -0.776 60.457 61.300 -0.112 0.000 1.091 95 I CB 1.522 39.426 38.000 -0.159 0.000 1.242 95 I HN 0.673 nan 8.210 nan 0.000 0.439 96 D N 9.689 130.041 120.400 -0.079 0.000 2.358 96 D HA 0.156 4.796 4.640 0.000 0.000 0.258 96 D C -1.497 174.764 176.300 -0.065 0.000 1.223 96 D CA -1.671 52.290 54.000 -0.065 0.000 0.886 96 D CB 1.736 42.506 40.800 -0.050 0.000 1.120 96 D HN 0.245 nan 8.370 nan 0.000 0.482 97 P HA -0.075 nan 4.420 nan 0.000 0.226 97 P C 0.928 178.207 177.300 -0.035 0.000 1.153 97 P CA 0.658 63.724 63.100 -0.057 0.000 0.777 97 P CB 0.482 32.146 31.700 -0.060 0.000 0.794 98 E N -0.003 120.179 120.200 -0.030 0.000 2.285 98 E HA -0.051 4.299 4.350 0.000 0.000 0.194 98 E C 1.331 177.920 176.600 -0.018 0.000 0.997 98 E CA 1.380 57.769 56.400 -0.018 0.000 0.845 98 E CB 0.275 29.966 29.700 -0.015 0.000 0.782 98 E HN 0.360 nan 8.360 nan 0.000 0.491 99 S N -1.705 113.979 115.700 -0.026 0.000 2.612 99 S HA 0.120 4.590 4.470 0.000 0.000 0.278 99 S C 0.912 175.492 174.600 -0.033 0.000 1.082 99 S CA -0.545 57.641 58.200 -0.024 0.000 1.185 99 S CB 0.227 63.413 63.200 -0.023 0.000 1.077 99 S HN 0.043 nan 8.310 nan 0.000 0.585 100 E N 1.436 121.607 120.200 -0.048 0.000 2.558 100 E HA 0.635 4.985 4.350 0.000 0.000 0.205 100 E C -0.115 176.439 176.600 -0.078 0.000 1.006 100 E CA 0.006 56.366 56.400 -0.067 0.000 0.961 100 E CB 1.312 30.961 29.700 -0.085 0.000 1.044 100 E HN 0.574 nan 8.360 nan 0.000 0.465 101 A N 1.447 124.235 122.820 -0.052 0.000 2.547 101 A HA 0.706 5.026 4.320 0.000 0.000 0.297 101 A C -1.419 176.167 177.584 0.003 0.000 1.056 101 A CA -0.546 51.467 52.037 -0.040 0.000 0.688 101 A CB 1.426 20.380 19.000 -0.077 0.000 1.282 101 A HN 0.196 nan 8.150 nan 0.000 0.400 102 I N 2.072 122.674 120.570 0.055 0.000 2.656 102 I HA 0.481 4.651 4.170 0.000 0.000 0.292 102 I C -1.183 175.042 176.117 0.180 0.000 1.144 102 I CA -0.884 60.473 61.300 0.096 0.000 1.038 102 I CB 2.118 40.175 38.000 0.094 0.000 1.244 102 I HN 0.456 nan 8.210 nan 0.000 0.420 103 V N 5.490 125.506 119.914 0.171 0.000 2.583 103 V HA 0.352 4.473 4.120 0.000 0.000 0.287 103 V C 0.526 176.747 176.094 0.212 0.000 1.051 103 V CA -0.054 62.378 62.300 0.221 0.000 1.010 103 V CB 1.241 33.166 31.823 0.169 0.000 0.988 103 V HN 0.852 nan 8.190 nan 0.000 0.478 104 T N 1.505 116.189 114.554 0.216 0.000 2.942 104 T HA 0.621 4.971 4.350 0.000 0.000 0.289 104 T C 0.442 175.210 174.700 0.113 0.000 1.044 104 T CA -0.686 61.521 62.100 0.178 0.000 1.023 104 T CB 1.608 70.591 68.868 0.191 0.000 1.123 104 T HN 0.622 nan 8.240 nan 0.000 0.512 105 I N -1.243 119.380 120.570 0.088 0.000 3.780 105 I HA 0.608 4.779 4.170 0.000 0.000 0.312 105 I C 0.662 176.769 176.117 -0.017 0.000 1.377 105 I CA -0.390 60.934 61.300 0.040 0.000 1.224 105 I CB -1.076 36.952 38.000 0.047 0.000 1.110 105 I HN 1.144 nan 8.210 nan 0.000 0.418 106 G N 0.405 109.183 108.800 -0.036 0.000 2.428 106 G HA2 -0.124 3.836 3.960 0.000 0.000 0.681 106 G HA3 -0.124 3.836 3.960 0.000 0.000 0.681 106 G C -0.029 174.788 174.900 -0.139 0.000 1.340 106 G CA -0.212 44.827 45.100 -0.101 0.000 0.915 106 G HN 0.088 nan 8.290 nan 0.000 0.645 107 S N -0.104 115.471 115.700 -0.208 0.000 2.436 107 S HA -0.016 4.455 4.470 0.000 0.000 0.228 107 S C 2.214 176.559 174.600 -0.426 0.000 1.014 107 S CA 1.514 59.480 58.200 -0.389 0.000 0.950 107 S CB -0.063 62.939 63.200 -0.329 0.000 0.784 107 S HN 0.644 nan 8.310 nan 0.000 0.504 108 K N 1.185 121.434 120.400 -0.251 0.000 2.063 108 K HA -0.175 4.146 4.320 0.000 0.000 0.208 108 K C 2.283 178.792 176.600 -0.152 0.000 1.048 108 K CA 1.599 57.775 56.287 -0.185 0.000 0.928 108 K CB -0.120 32.288 32.500 -0.154 0.000 0.713 108 K HN 0.319 nan 8.250 nan 0.000 0.442 109 E N 0.255 120.346 120.200 -0.181 0.000 2.028 109 E HA -0.116 4.234 4.350 0.000 0.000 0.191 109 E C 2.035 178.430 176.600 -0.341 0.000 0.988 109 E CA 1.617 57.892 56.400 -0.208 0.000 0.799 109 E CB -0.421 29.168 29.700 -0.185 0.000 0.755 109 E HN 0.285 nan 8.360 nan 0.000 0.447 110 G N 0.864 109.517 108.800 -0.245 0.000 2.440 110 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 110 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 110 G C 1.515 176.363 174.900 -0.087 0.000 1.154 110 G CA 0.976 46.040 45.100 -0.060 0.000 0.767 110 G HN 0.336 nan 8.290 nan 0.000 0.552 111 L N 1.391 122.355 121.223 -0.430 0.000 2.083 111 L HA 0.182 4.522 4.340 0.000 0.000 0.209 111 L C 3.055 179.905 176.870 -0.033 0.000 1.083 111 L CA 1.937 56.629 54.840 -0.246 0.000 0.752 111 L CB -0.842 41.021 42.059 -0.326 0.000 0.899 111 L HN 0.245 nan 8.230 nan 0.000 0.433 112 A N -0.883 121.911 122.820 -0.043 0.000 1.859 112 A HA -0.304 4.016 4.320 0.000 0.000 0.217 112 A C 2.191 179.850 177.584 0.124 0.000 1.198 112 A CA 2.168 54.220 52.037 0.026 0.000 0.629 112 A CB -1.274 17.771 19.000 0.075 0.000 0.830 112 A HN 0.724 nan 8.150 nan 0.000 0.446 113 H N -1.696 117.426 119.070 0.088 0.000 2.456 113 H HA -0.072 4.484 4.556 0.000 0.000 0.296 113 H C 2.020 177.404 175.328 0.093 0.000 1.079 113 H CA 0.896 56.995 56.048 0.085 0.000 1.322 113 H CB -0.008 29.812 29.762 0.097 0.000 1.388 113 H HN 0.422 nan 8.280 nan 0.000 0.538 114 L N 0.537 121.905 121.223 0.242 0.000 2.044 114 L HA -0.132 4.208 4.340 0.000 0.000 0.205 114 L C 2.187 179.142 176.870 0.142 0.000 1.075 114 L CA 1.405 56.367 54.840 0.203 0.000 0.747 114 L CB -0.393 41.830 42.059 0.273 0.000 0.903 114 L HN 0.204 nan 8.230 nan 0.000 0.435 115 M N -1.250 118.422 119.600 0.120 0.000 2.073 115 M HA -0.255 4.225 4.480 0.000 0.000 0.258 115 M C 2.194 178.535 176.300 0.068 0.000 1.070 115 M CA 1.949 57.295 55.300 0.077 0.000 1.103 115 M CB -0.723 31.906 32.600 0.048 0.000 1.321 115 M HN 0.374 nan 8.290 nan 0.000 0.405 116 L N 0.723 121.995 121.223 0.082 0.000 2.013 116 L HA -0.194 4.146 4.340 0.000 0.000 0.212 116 L C 2.524 179.441 176.870 0.078 0.000 1.073 116 L CA 2.381 57.269 54.840 0.079 0.000 0.753 116 L CB -0.919 41.198 42.059 0.096 0.000 0.890 116 L HN 0.260 nan 8.230 nan 0.000 0.432 117 A N -2.654 120.219 122.820 0.088 0.000 1.969 117 A HA -0.122 4.198 4.320 0.000 0.000 0.218 117 A C 2.194 179.817 177.584 0.065 0.000 1.169 117 A CA 2.073 54.154 52.037 0.073 0.000 0.635 117 A CB -0.710 18.334 19.000 0.073 0.000 0.810 117 A HN 0.517 nan 8.150 nan 0.000 0.445 118 T N -0.872 113.723 114.554 0.068 0.000 3.023 118 T HA 0.305 4.656 4.350 0.000 0.000 0.249 118 T C 0.095 174.825 174.700 0.050 0.000 1.050 118 T CA -0.096 62.040 62.100 0.060 0.000 1.088 118 T CB -0.080 68.829 68.868 0.069 0.000 0.946 118 T HN 0.105 nan 8.240 nan 0.000 0.480 119 L N 2.381 123.631 121.223 0.046 0.000 2.350 119 L HA 0.369 4.709 4.340 0.000 0.000 0.275 119 L C -0.086 176.810 176.870 0.042 0.000 1.099 119 L CA -0.559 54.300 54.840 0.033 0.000 0.808 119 L CB 0.583 42.648 42.059 0.011 0.000 1.149 119 L HN 0.016 nan 8.230 nan 0.000 0.442 120 D N 0.191 120.616 120.400 0.041 0.000 2.382 120 D HA 0.063 4.704 4.640 0.000 0.000 0.245 120 D C -0.068 176.277 176.300 0.075 0.000 1.120 120 D CA -0.073 53.963 54.000 0.060 0.000 0.890 120 D CB 0.259 41.089 40.800 0.050 0.000 1.201 120 D HN 0.408 nan 8.370 nan 0.000 0.433 121 H N 0.226 119.298 119.070 0.003 0.000 3.167 121 H HA 0.213 4.769 4.556 0.000 0.000 0.306 121 H C 1.514 176.841 175.328 -0.002 0.000 0.965 121 H CA 1.871 57.917 56.048 -0.002 0.000 1.408 121 H CB 0.141 29.899 29.762 -0.006 0.000 1.406 121 H HN 0.627 nan 8.280 nan 0.000 0.576 122 G N 3.475 112.164 108.800 -0.185 0.000 2.194 122 G HA2 -0.267 3.693 3.960 0.000 0.000 0.236 122 G HA3 -0.267 3.693 3.960 0.000 0.000 0.236 122 G C 0.192 175.060 174.900 -0.054 0.000 0.987 122 G CA 0.084 45.130 45.100 -0.089 0.000 0.635 122 G HN 0.662 nan 8.290 nan 0.000 0.520 123 D N 0.749 121.123 120.400 -0.044 0.000 2.369 123 D HA 0.513 5.153 4.640 0.000 0.000 0.241 123 D C 0.708 176.987 176.300 -0.036 0.000 1.271 123 D CA 0.799 54.784 54.000 -0.024 0.000 0.942 123 D CB 0.532 41.328 40.800 -0.007 0.000 1.129 123 D HN 0.090 nan 8.370 nan 0.000 0.476 124 T N 0.223 114.762 114.554 -0.026 0.000 2.859 124 T HA 0.636 4.986 4.350 0.000 0.000 0.281 124 T C 0.100 174.780 174.700 -0.033 0.000 1.005 124 T CA -0.574 61.505 62.100 -0.035 0.000 1.025 124 T CB 0.619 69.469 68.868 -0.031 0.000 0.977 124 T HN 0.302 nan 8.240 nan 0.000 0.458 125 I N -0.163 120.375 120.570 -0.052 0.000 3.042 125 I HA 0.734 4.904 4.170 0.000 0.000 0.310 125 I C -1.607 174.469 176.117 -0.069 0.000 1.117 125 I CA -1.563 59.707 61.300 -0.051 0.000 1.003 125 I CB 1.772 39.737 38.000 -0.059 0.000 1.228 125 I HN 0.412 nan 8.210 nan 0.000 0.443 126 L N 4.374 125.572 121.223 -0.043 0.000 2.296 126 L HA 0.714 5.054 4.340 0.000 0.000 0.286 126 L C -0.742 176.116 176.870 -0.021 0.000 1.023 126 L CA -0.877 53.942 54.840 -0.035 0.000 0.812 126 L CB 1.767 43.814 42.059 -0.020 0.000 1.223 126 L HN 0.395 nan 8.230 nan 0.000 0.421 127 V N 3.952 123.847 119.914 -0.032 0.000 2.588 127 V HA 0.459 4.580 4.120 0.000 0.000 0.304 127 V C -2.241 173.897 176.094 0.074 0.000 1.042 127 V CA -1.782 60.517 62.300 -0.002 0.000 0.877 127 V CB 2.298 34.049 31.823 -0.119 0.000 0.996 127 V HN 0.542 nan 8.190 nan 0.000 0.425 128 P HA 0.213 nan 4.420 nan 0.000 0.272 128 P C -0.945 176.417 177.300 0.103 0.000 1.230 128 P CA -0.308 62.885 63.100 0.154 0.000 0.788 128 P CB 0.504 32.271 31.700 0.113 0.000 0.949 129 N N 1.554 120.309 118.700 0.093 0.000 2.461 129 N HA 0.331 5.071 4.740 0.000 0.000 0.284 129 N C -2.975 172.598 175.510 0.106 0.000 1.049 129 N CA -2.391 50.738 53.050 0.132 0.000 0.889 129 N CB 1.517 40.120 38.487 0.194 0.000 1.365 129 N HN 0.141 nan 8.380 nan 0.000 0.499 130 P HA 0.311 nan 4.420 nan 0.000 0.288 130 P C -0.950 176.353 177.300 0.004 0.000 1.267 130 P CA -0.217 62.951 63.100 0.113 0.000 0.815 130 P CB 1.186 32.942 31.700 0.092 0.000 0.989 131 S N 1.722 117.496 115.700 0.124 0.000 2.570 131 S HA 0.362 4.832 4.470 0.000 0.000 0.270 131 S C -1.296 173.504 174.600 0.333 0.000 1.149 131 S CA -0.843 57.417 58.200 0.101 0.000 0.837 131 S CB 0.764 63.996 63.200 0.053 0.000 1.124 131 S HN 0.389 nan 8.310 nan 0.000 0.465 132 Y N 3.163 123.562 120.300 0.165 0.000 2.465 132 Y HA 0.356 4.906 4.550 0.001 0.000 0.331 132 Y C -1.945 174.010 175.900 0.092 0.000 1.102 132 Y CA -1.511 56.713 58.100 0.207 0.000 1.358 132 Y CB 0.961 39.475 38.460 0.090 0.000 1.213 132 Y HN 0.475 nan 8.280 nan 0.000 0.525 133 P HA 0.077 nan 4.420 nan 0.000 0.247 133 P C 0.410 177.354 177.300 -0.592 0.000 1.756 133 P CA 0.130 62.952 63.100 -0.463 0.000 1.117 133 P CB -0.518 30.873 31.700 -0.516 0.000 1.869 134 I N -0.143 120.261 120.570 -0.276 0.000 3.444 134 I HA -0.065 4.105 4.170 0.000 0.000 0.287 134 I C 1.526 177.558 176.117 -0.141 0.000 1.302 134 I CA 0.295 61.486 61.300 -0.181 0.000 1.368 134 I CB -0.891 37.082 38.000 -0.046 0.000 1.048 134 I HN 0.220 nan 8.210 nan 0.000 0.487 135 H N 0.471 119.498 119.070 -0.070 0.000 2.563 135 H HA 0.238 4.794 4.556 0.001 0.000 0.264 135 H C 1.955 177.268 175.328 -0.025 0.000 0.957 135 H CA 0.082 56.105 56.048 -0.041 0.000 1.173 135 H CB -0.235 29.510 29.762 -0.029 0.000 1.420 135 H HN 0.407 nan 8.280 nan 0.000 0.551 136 I N 0.891 121.256 120.570 -0.343 0.000 2.151 136 I HA -0.354 3.816 4.170 0.000 0.000 0.243 136 I C 2.570 178.696 176.117 0.016 0.000 1.080 136 I CA 1.926 63.128 61.300 -0.163 0.000 1.339 136 I CB -0.490 37.388 38.000 -0.203 0.000 1.039 136 I HN 0.155 nan 8.210 nan 0.000 0.409 137 Y N 1.577 121.819 120.300 -0.097 0.000 2.200 137 Y HA -0.120 4.431 4.550 0.001 0.000 0.290 137 Y C 2.391 178.279 175.900 -0.019 0.000 1.137 137 Y CA 1.370 59.439 58.100 -0.053 0.000 1.163 137 Y CB -0.897 37.523 38.460 -0.067 0.000 0.988 137 Y HN 0.084 nan 8.280 nan 0.000 0.518 138 G N -0.034 108.747 108.800 -0.030 0.000 2.440 138 G HA2 -0.319 3.641 3.960 0.000 0.000 0.218 138 G HA3 -0.319 3.641 3.960 0.000 0.000 0.218 138 G C 1.860 176.713 174.900 -0.078 0.000 1.154 138 G CA 1.191 46.248 45.100 -0.071 0.000 0.767 138 G HN 0.600 nan 8.290 nan 0.000 0.552 139 A N 0.052 122.863 122.820 -0.015 0.000 1.902 139 A HA 0.051 4.371 4.320 0.000 0.000 0.217 139 A C 2.617 180.151 177.584 -0.083 0.000 1.181 139 A CA 1.892 53.915 52.037 -0.024 0.000 0.623 139 A CB -0.653 18.386 19.000 0.065 0.000 0.818 139 A HN 0.283 nan 8.150 nan 0.000 0.443 140 V N -0.011 119.849 119.914 -0.091 0.000 2.343 140 V HA -0.275 3.846 4.120 0.000 0.000 0.247 140 V C 2.404 178.418 176.094 -0.134 0.000 1.051 140 V CA 2.114 64.353 62.300 -0.101 0.000 1.036 140 V CB -0.627 31.143 31.823 -0.088 0.000 0.654 140 V HN 0.574 nan 8.190 nan 0.000 0.451 141 I N 0.210 120.647 120.570 -0.221 0.000 2.233 141 I HA -0.145 4.025 4.170 0.000 0.000 0.243 141 I C 2.385 178.464 176.117 -0.064 0.000 1.093 141 I CA 1.570 62.772 61.300 -0.164 0.000 1.380 141 I CB -0.378 37.481 38.000 -0.236 0.000 1.067 141 I HN 0.267 nan 8.210 nan 0.000 0.413 142 A N 0.089 122.837 122.820 -0.121 0.000 2.218 142 A HA 0.300 4.620 4.320 0.000 0.000 0.209 142 A C 1.769 179.041 177.584 -0.520 0.000 1.168 142 A CA 0.636 52.575 52.037 -0.163 0.000 0.804 142 A CB -0.593 18.350 19.000 -0.094 0.000 0.834 142 A HN 0.546 nan 8.150 nan 0.000 0.482 143 G N -0.855 107.635 108.800 -0.517 0.000 2.249 143 G HA2 0.032 3.992 3.960 0.000 0.000 0.273 143 G HA3 0.032 3.992 3.960 0.000 0.000 0.273 143 G C 0.452 175.163 174.900 -0.315 0.000 1.036 143 G CA 0.556 45.320 45.100 -0.561 0.000 0.824 143 G HN 1.538 nan 8.290 nan 0.000 0.504 144 A N -0.760 121.943 122.820 -0.195 0.000 2.445 144 A HA 0.631 4.952 4.320 0.000 0.000 0.242 144 A C 0.553 178.089 177.584 -0.080 0.000 1.075 144 A CA 0.317 52.285 52.037 -0.116 0.000 0.777 144 A CB 0.395 19.352 19.000 -0.072 0.000 1.013 144 A HN 0.622 nan 8.150 nan 0.000 0.493 145 Q N 0.348 120.107 119.800 -0.069 0.000 2.342 145 Q HA 0.562 4.902 4.340 0.000 0.000 0.267 145 Q C -1.267 174.692 176.000 -0.069 0.000 1.038 145 Q CA -0.871 54.900 55.803 -0.054 0.000 0.832 145 Q CB 2.338 31.051 28.738 -0.041 0.000 1.323 145 Q HN 0.478 nan 8.270 nan 0.000 0.448 146 V N 2.520 122.391 119.914 -0.072 0.000 2.435 146 V HA 0.384 4.504 4.120 0.000 0.000 0.290 146 V C -0.149 175.908 176.094 -0.063 0.000 1.030 146 V CA -0.817 61.417 62.300 -0.111 0.000 0.881 146 V CB 1.346 33.077 31.823 -0.153 0.000 0.983 146 V HN 0.601 nan 8.190 nan 0.000 0.445 147 R N 2.996 123.458 120.500 -0.062 0.000 2.215 147 R HA 0.364 4.705 4.340 0.000 0.000 0.336 147 R C 0.105 176.388 176.300 -0.028 0.000 0.996 147 R CA -0.174 55.904 56.100 -0.037 0.000 0.847 147 R CB 1.604 31.878 30.300 -0.044 0.000 1.127 147 R HN 0.841 nan 8.270 nan 0.000 0.465 148 S N 1.162 116.865 115.700 0.005 0.000 2.499 148 S HA 0.311 4.781 4.470 0.000 0.000 0.275 148 S C 0.299 174.913 174.600 0.023 0.000 1.257 148 S CA -0.729 57.492 58.200 0.034 0.000 1.050 148 S CB 1.323 64.576 63.200 0.088 0.000 0.937 148 S HN 0.240 nan 8.310 nan 0.000 0.490 149 V N 5.297 125.225 119.914 0.022 0.000 2.328 149 V HA 0.378 4.498 4.120 0.000 0.000 0.278 149 V C -2.349 173.751 176.094 0.010 0.000 1.021 149 V CA -2.203 60.089 62.300 -0.013 0.000 0.838 149 V CB 0.882 32.676 31.823 -0.047 0.000 0.999 149 V HN 0.740 nan 8.190 nan 0.000 0.447 150 P HA 0.038 nan 4.420 nan 0.000 0.261 150 P C -0.633 176.677 177.300 0.018 0.000 1.183 150 P CA 0.090 62.984 63.100 -0.343 0.000 0.761 150 P CB 0.366 31.679 31.700 -0.645 0.000 0.785 151 L N 6.348 127.576 121.223 0.008 0.000 2.433 151 L HA 0.506 4.846 4.340 0.000 0.000 0.256 151 L C -1.270 175.580 176.870 -0.033 0.000 1.063 151 L CA -0.307 54.539 54.840 0.010 0.000 0.922 151 L CB 0.887 42.859 42.059 -0.144 0.000 1.238 151 L HN 0.060 nan 8.230 nan 0.000 0.466 152 V N 4.217 124.132 119.914 0.002 0.000 3.048 152 V HA 0.516 4.637 4.120 0.000 0.000 0.303 152 V C -2.256 173.878 176.094 0.067 0.000 1.214 152 V CA -1.263 61.065 62.300 0.046 0.000 0.984 152 V CB 2.623 34.496 31.823 0.083 0.000 1.054 152 V HN 0.512 nan 8.190 nan 0.000 0.430 153 P HA 0.363 nan 4.420 nan 0.000 0.264 153 P C 0.807 178.166 177.300 0.099 0.000 1.193 153 P CA 1.448 64.603 63.100 0.092 0.000 0.763 153 P CB 0.574 32.339 31.700 0.109 0.000 0.810 154 G N 2.217 111.069 108.800 0.086 0.000 2.259 154 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 154 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 154 G C -0.034 174.913 174.900 0.079 0.000 1.001 154 G CA -0.334 44.817 45.100 0.085 0.000 0.627 154 G HN 0.495 nan 8.290 nan 0.000 0.501 155 I N 1.306 121.920 120.570 0.074 0.000 2.545 155 I HA 0.386 4.556 4.170 0.000 0.000 0.292 155 I C -0.903 175.259 176.117 0.076 0.000 1.040 155 I CA -0.985 60.352 61.300 0.062 0.000 1.068 155 I CB 2.007 40.026 38.000 0.032 0.000 1.251 155 I HN 0.060 nan 8.210 nan 0.000 0.424 156 D N 4.440 124.885 120.400 0.074 0.000 2.344 156 D HA 0.001 4.642 4.640 0.000 0.000 0.253 156 D C 0.616 176.965 176.300 0.080 0.000 1.255 156 D CA 0.109 54.170 54.000 0.101 0.000 0.894 156 D CB 0.517 41.374 40.800 0.096 0.000 1.067 156 D HN 0.410 nan 8.370 nan 0.000 0.492 157 F N 4.231 124.126 119.950 -0.091 0.000 2.134 157 F HA -0.112 4.416 4.527 0.001 0.000 0.299 157 F C 1.292 176.929 175.800 -0.272 0.000 1.097 157 F CA 1.380 59.247 58.000 -0.221 0.000 1.264 157 F CB -0.274 38.535 39.000 -0.319 0.000 1.001 157 F HN 0.398 nan 8.300 nan 0.000 0.479 158 F N 0.454 120.351 119.950 -0.087 0.000 2.102 158 F HA -0.182 4.345 4.527 0.000 0.000 0.298 158 F C 2.418 178.105 175.800 -0.188 0.000 1.105 158 F CA 1.719 59.595 58.000 -0.205 0.000 1.239 158 F CB -1.211 37.732 39.000 -0.096 0.000 0.991 158 F HN 0.048 nan 8.300 nan 0.000 0.474 159 N N 0.209 118.941 118.700 0.054 0.000 2.094 159 N HA -0.211 4.529 4.740 0.000 0.000 0.191 159 N C 1.773 177.234 175.510 -0.080 0.000 1.023 159 N CA 1.605 54.655 53.050 0.000 0.000 0.857 159 N CB -0.026 38.474 38.487 0.021 0.000 1.013 159 N HN 0.092 nan 8.380 nan 0.000 0.426 160 E N 0.123 120.236 120.200 -0.145 0.000 2.106 160 E HA -0.142 4.208 4.350 0.000 0.000 0.192 160 E C 1.957 178.397 176.600 -0.267 0.000 0.984 160 E CA 0.444 56.733 56.400 -0.185 0.000 0.806 160 E CB -0.474 29.114 29.700 -0.186 0.000 0.750 160 E HN 0.387 nan 8.360 nan 0.000 0.458 161 L N 1.666 122.631 121.223 -0.430 0.000 1.994 161 L HA -0.158 4.182 4.340 0.000 0.000 0.208 161 L C 2.330 179.049 176.870 -0.251 0.000 1.071 161 L CA 1.984 56.569 54.840 -0.424 0.000 0.745 161 L CB -0.479 41.210 42.059 -0.617 0.000 0.892 161 L HN 0.088 nan 8.230 nan 0.000 0.431 162 E N -0.926 119.163 120.200 -0.184 0.000 2.110 162 E HA -0.261 4.090 4.350 0.000 0.000 0.193 162 E C 2.407 178.880 176.600 -0.211 0.000 0.988 162 E CA 0.880 57.169 56.400 -0.185 0.000 0.804 162 E CB -0.079 29.597 29.700 -0.041 0.000 0.745 162 E HN 0.391 nan 8.360 nan 0.000 0.458 163 R N -0.141 120.273 120.500 -0.144 0.000 2.080 163 R HA -0.163 4.177 4.340 0.000 0.000 0.236 163 R C 2.337 178.559 176.300 -0.130 0.000 1.137 163 R CA 1.396 57.428 56.100 -0.114 0.000 0.943 163 R CB -0.329 29.923 30.300 -0.080 0.000 0.846 163 R HN 0.205 nan 8.270 nan 0.000 0.431 164 A N 0.919 123.654 122.820 -0.142 0.000 1.940 164 A HA -0.165 4.155 4.320 0.000 0.000 0.219 164 A C 2.126 179.624 177.584 -0.144 0.000 1.176 164 A CA 1.337 53.301 52.037 -0.123 0.000 0.631 164 A CB -0.512 18.416 19.000 -0.120 0.000 0.814 164 A HN 0.301 nan 8.150 nan 0.000 0.446 165 I N -0.907 119.536 120.570 -0.213 0.000 2.099 165 I HA -0.309 3.862 4.170 0.000 0.000 0.239 165 I C 2.815 178.784 176.117 -0.247 0.000 1.066 165 I CA 1.690 62.827 61.300 -0.272 0.000 1.324 165 I CB -0.399 37.298 38.000 -0.506 0.000 1.037 165 I HN 0.291 nan 8.210 nan 0.000 0.401 166 R N 0.569 120.902 120.500 -0.279 0.000 2.105 166 R HA -0.174 4.166 4.340 0.000 0.000 0.239 166 R C 1.908 178.155 176.300 -0.087 0.000 1.135 166 R CA 1.412 57.410 56.100 -0.170 0.000 0.967 166 R CB -0.292 29.933 30.300 -0.125 0.000 0.861 166 R HN 0.508 nan 8.270 nan 0.000 0.442 167 E N 0.058 120.209 120.200 -0.083 0.000 2.478 167 E HA 0.038 4.388 4.350 0.000 0.000 0.194 167 E C -0.259 176.317 176.600 -0.041 0.000 1.045 167 E CA 0.028 56.398 56.400 -0.049 0.000 0.868 167 E CB 0.514 30.189 29.700 -0.043 0.000 0.885 167 E HN 0.083 nan 8.360 nan 0.000 0.505 168 S N 1.131 116.800 115.700 -0.052 0.000 2.457 168 S HA 0.424 4.894 4.470 0.000 0.000 0.289 168 S C -0.066 174.518 174.600 -0.027 0.000 1.163 168 S CA -0.453 57.725 58.200 -0.038 0.000 1.078 168 S CB 1.041 64.214 63.200 -0.044 0.000 0.987 168 S HN 0.098 nan 8.310 nan 0.000 0.482 169 I N 4.630 125.191 120.570 -0.015 0.000 2.439 169 I HA 0.331 4.501 4.170 0.000 0.000 0.285 169 I C -1.878 174.238 176.117 -0.002 0.000 1.021 169 I CA -1.829 59.468 61.300 -0.005 0.000 1.091 169 I CB 1.515 39.514 38.000 -0.001 0.000 1.242 169 I HN 0.452 nan 8.210 nan 0.000 0.439 170 P HA 0.201 nan 4.420 nan 0.000 0.274 170 P C -0.439 176.861 177.300 -0.000 0.000 1.256 170 P CA -0.695 62.408 63.100 0.006 0.000 0.795 170 P CB 0.983 32.690 31.700 0.012 0.000 1.038 171 K N 1.016 121.419 120.400 0.005 0.000 2.561 171 K HA 0.022 4.342 4.320 0.000 0.000 0.280 171 K C -1.996 174.602 176.600 -0.003 0.000 0.975 171 K CA -0.736 55.551 56.287 -0.001 0.000 1.024 171 K CB -0.446 32.070 32.500 0.027 0.000 0.883 171 K HN 0.282 nan 8.250 nan 0.000 0.496 172 P HA 0.072 nan 4.420 nan 0.000 0.272 172 P C 0.008 177.315 177.300 0.011 0.000 1.223 172 P CA -0.342 62.752 63.100 -0.010 0.000 0.784 172 P CB 0.711 32.396 31.700 -0.026 0.000 0.923 173 R N 1.289 121.799 120.500 0.017 0.000 2.112 173 R HA 0.182 4.522 4.340 0.000 0.000 0.216 173 R C 0.991 177.320 176.300 0.048 0.000 1.080 173 R CA 1.191 57.312 56.100 0.034 0.000 0.996 173 R CB -0.303 30.016 30.300 0.032 0.000 0.902 173 R HN 0.626 nan 8.270 nan 0.000 0.449 174 M N -0.900 118.727 119.600 0.045 0.000 2.644 174 M HA 0.488 4.969 4.480 0.000 0.000 0.273 174 M C -1.335 175.002 176.300 0.063 0.000 1.253 174 M CA -0.972 54.369 55.300 0.068 0.000 0.852 174 M CB 2.771 35.423 32.600 0.087 0.000 1.708 174 M HN -0.166 nan 8.290 nan 0.000 0.471 175 M N 1.598 121.257 119.600 0.098 0.000 2.321 175 M HA 0.664 5.145 4.480 0.000 0.000 0.315 175 M C -1.934 174.462 176.300 0.159 0.000 1.052 175 M CA -0.668 54.700 55.300 0.112 0.000 0.936 175 M CB 2.048 34.728 32.600 0.134 0.000 1.639 175 M HN 0.722 nan 8.290 nan 0.000 0.433 176 I N 4.934 125.589 120.570 0.141 0.000 2.330 176 I HA 0.459 4.630 4.170 0.000 0.000 0.289 176 I C -0.901 175.319 176.117 0.172 0.000 1.001 176 I CA -0.546 60.850 61.300 0.161 0.000 1.193 176 I CB 1.199 39.270 38.000 0.118 0.000 1.345 176 I HN 0.719 nan 8.210 nan 0.000 0.461 177 L N 5.383 126.743 121.223 0.228 0.000 2.319 177 L HA 0.871 5.211 4.340 0.000 0.000 0.267 177 L C 0.165 177.087 176.870 0.086 0.000 1.011 177 L CA -0.720 54.221 54.840 0.169 0.000 0.818 177 L CB 2.184 44.487 42.059 0.408 0.000 1.316 177 L HN 0.633 nan 8.230 nan 0.000 0.432 178 G N 1.257 109.861 108.800 -0.327 0.000 2.618 178 G HA2 0.661 4.621 3.960 0.000 0.000 0.280 178 G HA3 0.661 4.621 3.960 0.000 0.000 0.280 178 G C -1.586 172.941 174.900 -0.621 0.000 1.458 178 G CA -0.152 44.758 45.100 -0.317 0.000 1.224 178 G HN 0.276 nan 8.290 nan 0.000 0.576 179 F N 2.142 122.332 119.950 0.400 0.000 2.557 179 F HA 0.451 4.979 4.527 0.000 0.000 0.316 179 F C -2.246 173.735 175.800 0.301 0.000 1.141 179 F CA -2.076 56.075 58.000 0.251 0.000 0.922 179 F CB 3.238 42.321 39.000 0.137 0.000 1.194 179 F HN 0.210 nan 8.300 nan 0.000 0.443 180 P HA 0.045 nan 4.420 nan 0.000 0.269 180 P C -0.657 176.678 177.300 0.059 0.000 1.215 180 P CA -0.124 63.080 63.100 0.173 0.000 0.780 180 P CB 0.956 32.666 31.700 0.016 0.000 0.898 181 S N 1.682 117.351 115.700 -0.052 0.000 2.489 181 S HA 0.349 4.820 4.470 0.000 0.000 0.291 181 S C -0.333 174.077 174.600 -0.317 0.000 1.151 181 S CA -0.566 57.518 58.200 -0.193 0.000 1.082 181 S CB -0.155 62.935 63.200 -0.183 0.000 1.019 181 S HN 0.311 nan 8.310 nan 0.000 0.492 182 N N 4.028 122.540 118.700 -0.313 0.000 2.425 182 N HA 0.451 5.191 4.740 0.000 0.000 0.268 182 N C -2.099 173.126 175.510 -0.476 0.000 0.991 182 N CA -2.140 50.630 53.050 -0.468 0.000 0.931 182 N CB 1.798 40.083 38.487 -0.335 0.000 1.130 182 N HN 0.367 nan 8.380 nan 0.000 0.493 183 P HA 0.135 nan 4.420 nan 0.000 0.274 183 P C 0.536 177.186 177.300 -1.082 0.000 1.352 183 P CA 0.234 62.630 63.100 -1.172 0.000 0.947 183 P CB 0.225 30.792 31.700 -1.887 0.000 1.437 184 T N -4.047 109.887 114.554 -1.034 0.000 3.067 184 T HA 0.313 4.663 4.350 0.000 0.000 0.257 184 T C 1.363 175.838 174.700 -0.375 0.000 1.105 184 T CA 0.710 62.202 62.100 -1.014 0.000 1.104 184 T CB -0.755 67.627 68.868 -0.810 0.000 0.925 184 T HN 0.084 nan 8.240 nan 0.000 0.498 185 A N 0.529 123.176 122.820 -0.288 0.000 2.847 185 A HA -0.239 4.081 4.320 0.000 0.000 0.263 185 A C 0.439 177.903 177.584 -0.201 0.000 1.391 185 A CA 1.119 53.038 52.037 -0.196 0.000 0.866 185 A CB -2.620 16.314 19.000 -0.109 0.000 1.057 185 A HN 0.813 nan 8.150 nan 0.000 0.673 186 Q N -0.409 119.285 119.800 -0.176 0.000 2.313 186 Q HA 0.413 4.753 4.340 0.000 0.000 0.266 186 Q C -0.191 175.729 176.000 -0.134 0.000 0.989 186 Q CA 0.237 55.946 55.803 -0.156 0.000 0.890 186 Q CB 0.358 29.029 28.738 -0.111 0.000 1.200 186 Q HN 0.704 nan 8.270 nan 0.000 0.396 187 C N 3.835 122.980 119.300 -0.259 0.000 2.454 187 C HA 0.790 5.250 4.460 0.000 0.000 0.336 187 C C -0.143 174.673 174.990 -0.291 0.000 1.189 187 C CA -0.804 58.084 59.018 -0.216 0.000 1.877 187 C CB 0.933 28.492 27.740 -0.301 0.000 2.348 187 C HN 0.733 nan 8.230 nan 0.000 0.508 188 V N -0.023 119.670 119.914 -0.369 0.000 3.074 188 V HA 0.723 4.843 4.120 0.000 0.000 0.314 188 V C -0.768 175.230 176.094 -0.160 0.000 1.117 188 V CA -0.653 61.340 62.300 -0.513 0.000 1.014 188 V CB 1.585 32.576 31.823 -1.386 0.000 1.057 188 V HN 0.901 nan 8.190 nan 0.000 0.438 189 E N 0.243 120.376 120.200 -0.113 0.000 2.259 189 E HA 0.438 4.788 4.350 0.000 0.000 0.257 189 E C 0.414 177.039 176.600 0.041 0.000 0.998 189 E CA -0.877 55.527 56.400 0.007 0.000 0.866 189 E CB 1.807 31.512 29.700 0.008 0.000 1.220 189 E HN 0.661 nan 8.360 nan 0.000 0.415 190 L N 2.087 123.381 121.223 0.118 0.000 2.081 190 L HA -0.215 4.125 4.340 0.000 0.000 0.212 190 L C 1.803 178.777 176.870 0.173 0.000 1.080 190 L CA 2.063 57.025 54.840 0.203 0.000 0.754 190 L CB -0.551 41.595 42.059 0.145 0.000 0.893 190 L HN 0.696 nan 8.230 nan 0.000 0.433 191 D N -1.622 118.837 120.400 0.098 0.000 2.218 191 D HA -0.308 4.332 4.640 0.000 0.000 0.204 191 D C 2.171 178.516 176.300 0.075 0.000 0.976 191 D CA 1.160 55.200 54.000 0.068 0.000 0.853 191 D CB -0.809 40.011 40.800 0.033 0.000 0.939 191 D HN 0.448 nan 8.370 nan 0.000 0.481 192 F N 0.529 120.433 119.950 -0.077 0.000 2.102 192 F HA -0.100 4.427 4.527 0.001 0.000 0.298 192 F C 2.075 177.874 175.800 -0.001 0.000 1.105 192 F CA 1.535 59.498 58.000 -0.062 0.000 1.239 192 F CB -0.350 38.430 39.000 -0.368 0.000 0.991 192 F HN -0.186 nan 8.300 nan 0.000 0.474 193 F N 0.990 121.155 119.950 0.359 0.000 2.146 193 F HA -0.167 4.360 4.527 0.000 0.000 0.298 193 F C 2.634 178.494 175.800 0.101 0.000 1.096 193 F CA 1.152 59.297 58.000 0.241 0.000 1.275 193 F CB -0.710 38.379 39.000 0.149 0.000 1.008 193 F HN 0.115 nan 8.300 nan 0.000 0.480 194 E N 1.013 121.350 120.200 0.229 0.000 2.204 194 E HA -0.265 4.085 4.350 0.000 0.000 0.195 194 E C 2.132 178.737 176.600 0.008 0.000 0.990 194 E CA 1.132 57.591 56.400 0.098 0.000 0.821 194 E CB -0.406 29.329 29.700 0.059 0.000 0.750 194 E HN 0.411 nan 8.360 nan 0.000 0.477 195 R N 0.623 121.080 120.500 -0.071 0.000 2.100 195 R HA 0.010 4.350 4.340 0.000 0.000 0.220 195 R C 2.226 178.423 176.300 -0.173 0.000 1.091 195 R CA 0.785 56.714 56.100 -0.286 0.000 0.986 195 R CB 0.094 29.970 30.300 -0.707 0.000 0.888 195 R HN 0.077 nan 8.270 nan 0.000 0.444 196 V N 0.081 120.025 119.914 0.049 0.000 2.307 196 V HA -0.205 3.915 4.120 0.000 0.000 0.245 196 V C 2.215 178.409 176.094 0.167 0.000 1.045 196 V CA 1.585 64.018 62.300 0.221 0.000 1.024 196 V CB -0.197 31.831 31.823 0.342 0.000 0.651 196 V HN 0.162 nan 8.190 nan 0.000 0.449 197 V N 0.385 120.392 119.914 0.155 0.000 2.407 197 V HA -0.267 3.854 4.120 0.000 0.000 0.248 197 V C 2.688 178.821 176.094 0.065 0.000 1.055 197 V CA 2.027 64.396 62.300 0.114 0.000 1.049 197 V CB -1.100 30.784 31.823 0.101 0.000 0.662 197 V HN 0.564 nan 8.190 nan 0.000 0.455 198 A N -0.485 122.351 122.820 0.027 0.000 1.930 198 A HA -0.171 4.149 4.320 0.000 0.000 0.217 198 A C 2.155 179.745 177.584 0.009 0.000 1.175 198 A CA 2.021 54.055 52.037 -0.004 0.000 0.627 198 A CB -0.447 18.526 19.000 -0.045 0.000 0.815 198 A HN 0.474 nan 8.150 nan 0.000 0.443 199 L N -0.644 120.602 121.223 0.037 0.000 2.095 199 L HA 0.087 4.427 4.340 0.000 0.000 0.204 199 L C 2.703 179.675 176.870 0.169 0.000 1.080 199 L CA 1.771 56.674 54.840 0.106 0.000 0.759 199 L CB -0.570 41.569 42.059 0.133 0.000 0.914 199 L HN 0.324 nan 8.230 nan 0.000 0.439 200 A N -0.262 122.645 122.820 0.146 0.000 1.873 200 A HA -0.298 4.022 4.320 0.000 0.000 0.218 200 A C 2.352 180.005 177.584 0.114 0.000 1.193 200 A CA 2.285 54.409 52.037 0.144 0.000 0.629 200 A CB -0.637 18.443 19.000 0.133 0.000 0.826 200 A HN 0.482 nan 8.150 nan 0.000 0.447 201 K N -0.913 119.528 120.400 0.068 0.000 2.283 201 K HA -0.150 4.171 4.320 0.000 0.000 0.202 201 K C 2.275 178.869 176.600 -0.010 0.000 1.048 201 K CA 1.260 57.566 56.287 0.030 0.000 0.948 201 K CB -0.069 32.438 32.500 0.012 0.000 0.742 201 K HN 0.731 nan 8.250 nan 0.000 0.458 202 Q N -0.433 119.344 119.800 -0.038 0.000 2.187 202 Q HA -0.123 4.217 4.340 0.000 0.000 0.199 202 Q C 0.501 176.285 176.000 -0.360 0.000 0.957 202 Q CA 1.312 56.985 55.803 -0.216 0.000 0.857 202 Q CB 0.271 28.840 28.738 -0.282 0.000 0.929 202 Q HN 0.366 nan 8.270 nan 0.000 0.453 203 Y N 0.077 120.383 120.300 0.009 0.000 2.584 203 Y HA 0.206 4.755 4.550 -0.000 0.000 0.254 203 Y C -0.443 175.466 175.900 0.014 0.000 1.177 203 Y CA -0.486 57.619 58.100 0.009 0.000 1.216 203 Y CB 0.883 39.347 38.460 0.008 0.000 1.172 203 Y HN 0.037 nan 8.280 nan 0.000 0.529 204 D N 1.192 121.662 120.400 0.117 0.000 2.697 204 D HA -0.147 4.494 4.640 0.000 0.000 0.235 204 D C -1.007 175.352 176.300 0.098 0.000 1.167 204 D CA 0.564 54.614 54.000 0.085 0.000 0.656 204 D CB -0.655 40.179 40.800 0.057 0.000 1.025 204 D HN 0.016 nan 8.370 nan 0.000 0.419 205 V N 2.081 122.065 119.914 0.117 0.000 2.334 205 V HA 0.253 4.373 4.120 0.000 0.000 0.281 205 V C 0.974 177.127 176.094 0.099 0.000 1.016 205 V CA -0.636 61.725 62.300 0.101 0.000 0.832 205 V CB 1.672 33.556 31.823 0.102 0.000 0.999 205 V HN 0.230 nan 8.190 nan 0.000 0.439 206 M N 4.951 124.604 119.600 0.089 0.000 2.250 206 M HA 0.205 4.685 4.480 0.000 0.000 0.337 206 M C -0.814 175.559 176.300 0.120 0.000 1.161 206 M CA 0.553 55.911 55.300 0.096 0.000 1.088 206 M CB 0.749 33.403 32.600 0.089 0.000 1.639 206 M HN 0.454 nan 8.290 nan 0.000 0.447 207 V N 6.084 126.080 119.914 0.136 0.000 2.384 207 V HA 0.374 4.494 4.120 0.000 0.000 0.287 207 V C -0.478 175.734 176.094 0.198 0.000 1.020 207 V CA -0.764 61.644 62.300 0.181 0.000 0.850 207 V CB 1.648 33.591 31.823 0.199 0.000 0.987 207 V HN 0.626 nan 8.190 nan 0.000 0.436 208 V N 5.013 125.069 119.914 0.237 0.000 2.370 208 V HA 0.417 4.537 4.120 0.000 0.000 0.283 208 V C -0.186 176.122 176.094 0.356 0.000 1.023 208 V CA -0.486 61.988 62.300 0.290 0.000 0.857 208 V CB 1.310 33.316 31.823 0.305 0.000 0.985 208 V HN 0.883 nan 8.190 nan 0.000 0.443 209 H N 3.971 123.186 119.070 0.241 0.000 2.489 209 H HA 0.361 4.917 4.556 0.000 0.000 0.343 209 H C -1.445 174.046 175.328 0.272 0.000 1.086 209 H CA -0.693 55.496 56.048 0.235 0.000 1.198 209 H CB 2.054 31.916 29.762 0.167 0.000 1.490 209 H HN 0.639 nan 8.280 nan 0.000 0.504 210 D N 5.384 125.570 120.400 -0.357 0.000 2.443 210 D HA 0.041 4.681 4.640 0.000 0.000 0.221 210 D C -0.052 176.030 176.300 -0.363 0.000 1.097 210 D CA -0.504 53.377 54.000 -0.198 0.000 0.865 210 D CB 0.782 41.542 40.800 -0.068 0.000 1.034 210 D HN 0.419 nan 8.370 nan 0.000 0.511 211 L N 3.973 125.132 121.223 -0.106 0.000 2.737 211 L HA 0.340 4.680 4.340 0.000 0.000 0.236 211 L C 1.848 178.893 176.870 0.293 0.000 1.219 211 L CA 0.120 55.047 54.840 0.144 0.000 1.021 211 L CB -0.544 41.729 42.059 0.357 0.000 1.291 211 L HN 0.501 nan 8.230 nan 0.000 0.470 212 A N -0.462 122.361 122.820 0.005 0.000 1.958 212 A HA -0.240 4.080 4.320 0.000 0.000 0.221 212 A C 1.295 178.666 177.584 -0.355 0.000 1.178 212 A CA 1.787 53.617 52.037 -0.345 0.000 0.642 212 A CB -0.771 17.860 19.000 -0.615 0.000 0.816 212 A HN 0.544 nan 8.150 nan 0.000 0.453 213 Y N -1.011 119.341 120.300 0.088 0.000 2.756 213 Y HA 0.474 5.024 4.550 0.000 0.000 0.300 213 Y C 1.975 177.953 175.900 0.129 0.000 1.113 213 Y CA -0.142 57.990 58.100 0.053 0.000 1.291 213 Y CB -0.271 38.168 38.460 -0.035 0.000 1.175 213 Y HN 0.306 nan 8.280 nan 0.000 0.534 214 A N -0.174 122.872 122.820 0.376 0.000 1.972 214 A HA -0.172 4.149 4.320 0.000 0.000 0.219 214 A C 1.829 179.554 177.584 0.236 0.000 1.169 214 A CA 2.063 54.308 52.037 0.346 0.000 0.635 214 A CB -0.158 19.093 19.000 0.418 0.000 0.810 214 A HN 0.357 nan 8.150 nan 0.000 0.446 215 D N -0.627 119.913 120.400 0.233 0.000 2.327 215 D HA 0.068 4.708 4.640 0.000 0.000 0.205 215 D C 0.144 176.490 176.300 0.077 0.000 0.989 215 D CA 0.251 54.330 54.000 0.132 0.000 0.873 215 D CB 0.065 40.939 40.800 0.124 0.000 0.955 215 D HN 0.216 nan 8.370 nan 0.000 0.515 216 I N 3.099 123.713 120.570 0.074 0.000 2.270 216 I HA 0.072 4.242 4.170 0.000 0.000 0.300 216 I C 0.420 176.344 176.117 -0.322 0.000 1.186 216 I CA -0.304 60.982 61.300 -0.024 0.000 1.431 216 I CB -0.649 37.362 38.000 0.018 0.000 1.485 216 I HN -0.257 nan 8.210 nan 0.000 0.650 217 V N 3.940 123.647 119.914 -0.345 0.000 3.007 217 V HA 0.682 4.802 4.120 0.000 0.000 0.311 217 V C -1.372 174.495 176.094 -0.378 0.000 1.120 217 V CA -0.795 61.215 62.300 -0.485 0.000 0.980 217 V CB 2.473 34.247 31.823 -0.082 0.000 1.033 217 V HN 0.296 nan 8.190 nan 0.000 0.429 218 Y N 0.940 121.289 120.300 0.081 0.000 2.485 218 Y HA 0.702 5.252 4.550 0.001 0.000 0.345 218 Y C 0.269 176.257 175.900 0.147 0.000 0.998 218 Y CA -1.071 57.078 58.100 0.081 0.000 1.059 218 Y CB 1.286 39.761 38.460 0.026 0.000 1.234 218 Y HN 0.879 nan 8.280 nan 0.000 0.461 219 D N 0.760 121.330 120.400 0.285 0.000 2.809 219 D HA -0.145 4.495 4.640 0.000 0.000 0.234 219 D C 1.068 177.485 176.300 0.195 0.000 1.111 219 D CA 1.198 55.328 54.000 0.217 0.000 0.726 219 D CB -1.348 39.594 40.800 0.237 0.000 1.089 219 D HN 1.193 nan 8.370 nan 0.000 0.436 220 G N -0.423 108.472 108.800 0.159 0.000 2.203 220 G HA2 -0.332 3.628 3.960 0.000 0.000 0.263 220 G HA3 -0.332 3.628 3.960 0.000 0.000 0.263 220 G C 0.166 175.133 174.900 0.111 0.000 1.012 220 G CA 0.563 45.724 45.100 0.101 0.000 0.749 220 G HN 0.499 nan 8.290 nan 0.000 0.512 221 W N 0.297 121.608 121.300 0.018 0.000 2.237 221 W HA 0.722 5.383 4.660 0.000 0.000 0.335 221 W C 0.223 176.741 176.519 -0.003 0.000 1.230 221 W CA -0.328 57.020 57.345 0.005 0.000 1.253 221 W CB 1.038 30.497 29.460 -0.003 0.000 1.129 221 W HN 0.102 nan 8.180 nan 0.000 0.590 222 K N 2.220 122.789 120.400 0.283 0.000 2.508 222 K HA 0.618 4.938 4.320 0.000 0.000 0.260 222 K C -1.337 175.447 176.600 0.307 0.000 0.949 222 K CA -0.654 55.768 56.287 0.225 0.000 0.834 222 K CB 1.889 34.432 32.500 0.073 0.000 1.365 222 K HN 0.331 nan 8.250 nan 0.000 0.437 223 A N 4.013 127.000 122.820 0.278 0.000 2.256 223 A HA 0.533 4.853 4.320 0.000 0.000 0.317 223 A C -2.533 175.254 177.584 0.338 0.000 1.318 223 A CA -1.540 50.688 52.037 0.319 0.000 0.894 223 A CB 0.297 19.480 19.000 0.305 0.000 1.165 223 A HN 0.420 nan 8.150 nan 0.000 0.525 224 P HA 0.312 nan 4.420 nan 0.000 0.274 224 P C -0.114 177.170 177.300 -0.027 0.000 1.246 224 P CA -0.309 62.916 63.100 0.207 0.000 0.795 224 P CB 1.035 32.917 31.700 0.303 0.000 1.006 225 S N 0.664 116.097 115.700 -0.445 0.000 2.454 225 S HA 0.278 4.748 4.470 0.000 0.000 0.306 225 S C 1.115 175.378 174.600 -0.563 0.000 1.100 225 S CA -0.794 57.066 58.200 -0.568 0.000 1.087 225 S CB -0.009 62.631 63.200 -0.934 0.000 1.019 225 S HN 0.491 nan 8.310 nan 0.000 0.480 226 I N 4.323 124.377 120.570 -0.860 0.000 2.502 226 I HA -0.156 4.014 4.170 0.000 0.000 0.258 226 I C 1.423 177.368 176.117 -0.288 0.000 1.172 226 I CA 1.270 62.086 61.300 -0.807 0.000 1.430 226 I CB 0.019 37.609 38.000 -0.682 0.000 1.086 226 I HN 0.695 nan 8.210 nan 0.000 0.440 227 M N -0.436 119.043 119.600 -0.200 0.000 2.686 227 M HA -0.105 4.376 4.480 0.000 0.000 0.246 227 M C 1.808 178.064 176.300 -0.073 0.000 1.096 227 M CA 1.116 56.344 55.300 -0.119 0.000 1.076 227 M CB -0.880 31.634 32.600 -0.143 0.000 1.504 227 M HN 0.420 nan 8.290 nan 0.000 0.524 228 Q N -0.040 119.714 119.800 -0.077 0.000 2.245 228 Q HA 0.043 4.383 4.340 0.000 0.000 0.201 228 Q C 0.439 176.446 176.000 0.012 0.000 0.955 228 Q CA 0.377 56.177 55.803 -0.006 0.000 0.870 228 Q CB 0.182 28.931 28.738 0.020 0.000 0.945 228 Q HN 0.262 nan 8.270 nan 0.000 0.461 229 V N 4.857 124.775 119.914 0.007 0.000 2.485 229 V HA 0.050 4.170 4.120 0.000 0.000 0.287 229 V C -1.894 174.208 176.094 0.014 0.000 1.022 229 V CA -1.139 61.180 62.300 0.032 0.000 1.067 229 V CB 0.043 31.903 31.823 0.062 0.000 0.967 229 V HN 0.153 nan 8.190 nan 0.000 0.479 230 P HA 0.165 nan 4.420 nan 0.000 0.268 230 P C 0.896 178.198 177.300 0.003 0.000 1.204 230 P CA 0.943 64.046 63.100 0.006 0.000 0.768 230 P CB 0.962 32.666 31.700 0.007 0.000 0.842 231 G N 2.619 111.417 108.800 -0.003 0.000 2.184 231 G HA2 -0.360 3.600 3.960 0.000 0.000 0.264 231 G HA3 -0.360 3.600 3.960 0.000 0.000 0.264 231 G C 1.150 176.050 174.900 -0.001 0.000 0.975 231 G CA 0.607 45.705 45.100 -0.003 0.000 0.642 231 G HN 0.717 nan 8.290 nan 0.000 0.536 232 A N 0.286 123.104 122.820 -0.003 0.000 1.948 232 A HA -0.057 4.263 4.320 0.000 0.000 0.220 232 A C 2.161 179.741 177.584 -0.008 0.000 1.177 232 A CA 2.286 54.322 52.037 -0.001 0.000 0.636 232 A CB -0.450 18.538 19.000 -0.021 0.000 0.815 232 A HN 0.601 nan 8.150 nan 0.000 0.449 233 K N -0.294 120.091 120.400 -0.024 0.000 2.442 233 K HA -0.101 4.219 4.320 0.000 0.000 0.198 233 K C 0.730 177.322 176.600 -0.014 0.000 1.044 233 K CA 1.040 57.309 56.287 -0.031 0.000 0.948 233 K CB -0.132 32.341 32.500 -0.045 0.000 0.762 233 K HN 0.428 nan 8.250 nan 0.000 0.472 234 D N 0.236 120.634 120.400 -0.004 0.000 2.312 234 D HA -0.071 4.570 4.640 0.000 0.000 0.211 234 D C 1.217 177.527 176.300 0.017 0.000 0.964 234 D CA 0.930 54.933 54.000 0.005 0.000 0.877 234 D CB 0.305 41.108 40.800 0.005 0.000 0.924 234 D HN 0.142 nan 8.370 nan 0.000 0.515 235 I N -1.311 119.274 120.570 0.025 0.000 4.779 235 I HA 0.256 4.426 4.170 0.000 0.000 0.339 235 I C -0.609 175.543 176.117 0.058 0.000 1.293 235 I CA 0.013 61.340 61.300 0.045 0.000 1.324 235 I CB 0.867 38.900 38.000 0.056 0.000 1.424 235 I HN -0.182 nan 8.210 nan 0.000 0.489 236 A N 0.447 123.293 122.820 0.043 0.000 2.435 236 A HA 0.844 5.165 4.320 0.000 0.000 0.304 236 A C -1.108 176.488 177.584 0.020 0.000 1.064 236 A CA -0.230 51.840 52.037 0.055 0.000 0.727 236 A CB 1.588 20.624 19.000 0.060 0.000 1.284 236 A HN 0.312 nan 8.150 nan 0.000 0.415 237 V N -1.158 118.775 119.914 0.032 0.000 2.914 237 V HA 0.892 5.012 4.120 0.000 0.000 0.314 237 V C -0.666 175.417 176.094 -0.017 0.000 1.084 237 V CA -0.643 61.626 62.300 -0.051 0.000 0.963 237 V CB 1.684 33.433 31.823 -0.123 0.000 1.025 237 V HN 1.020 nan 8.190 nan 0.000 0.432 238 E N 1.551 121.697 120.200 -0.090 0.000 2.272 238 E HA 0.640 4.990 4.350 0.000 0.000 0.269 238 E C -2.034 174.545 176.600 -0.035 0.000 0.877 238 E CA -0.677 55.761 56.400 0.063 0.000 0.755 238 E CB 2.161 31.985 29.700 0.205 0.000 1.192 238 E HN 0.685 nan 8.360 nan 0.000 0.422 239 F N 3.406 123.467 119.950 0.184 0.000 2.469 239 F HA 0.532 5.059 4.527 0.000 0.000 0.332 239 F C -0.598 175.283 175.800 0.134 0.000 1.103 239 F CA -0.749 57.333 58.000 0.135 0.000 0.979 239 F CB 1.273 40.293 39.000 0.033 0.000 1.137 239 F HN 0.374 nan 8.300 nan 0.000 0.463 240 F N 2.040 121.960 119.950 -0.049 0.000 2.556 240 F HA 0.534 5.061 4.527 0.000 0.000 0.314 240 F C -0.457 174.951 175.800 -0.653 0.000 1.106 240 F CA -0.495 57.293 58.000 -0.353 0.000 0.911 240 F CB 1.803 40.552 39.000 -0.418 0.000 1.190 240 F HN 0.357 nan 8.300 nan 0.000 0.448 241 T N 5.276 119.119 114.554 -1.184 0.000 2.888 241 T HA 0.409 4.759 4.350 0.000 0.000 0.284 241 T C 0.461 174.470 174.700 -1.150 0.000 1.017 241 T CA -0.450 61.100 62.100 -0.917 0.000 1.022 241 T CB 1.187 69.719 68.868 -0.559 0.000 1.013 241 T HN 0.595 nan 8.240 nan 0.000 0.465 242 L N 3.698 124.568 121.223 -0.589 0.000 2.554 242 L HA 0.136 4.476 4.340 0.000 0.000 0.226 242 L C 2.663 179.427 176.870 -0.176 0.000 1.137 242 L CA 1.111 55.791 54.840 -0.266 0.000 0.863 242 L CB -0.553 41.401 42.059 -0.175 0.000 0.985 242 L HN 0.846 nan 8.230 nan 0.000 0.451 243 S N -1.311 114.226 115.700 -0.271 0.000 2.387 243 S HA -0.115 4.356 4.470 0.000 0.000 0.226 243 S C 1.990 176.511 174.600 -0.132 0.000 1.026 243 S CA 0.582 58.680 58.200 -0.171 0.000 0.972 243 S CB -0.031 63.084 63.200 -0.142 0.000 0.814 243 S HN 0.242 nan 8.310 nan 0.000 0.477 244 K N 1.877 122.155 120.400 -0.203 0.000 2.044 244 K HA 0.247 4.567 4.320 0.000 0.000 0.204 244 K C 2.545 179.130 176.600 -0.025 0.000 1.045 244 K CA 1.306 57.521 56.287 -0.120 0.000 0.951 244 K CB -1.310 31.020 32.500 -0.282 0.000 0.738 244 K HN 0.431 nan 8.250 nan 0.000 0.443 245 S N 0.745 116.397 115.700 -0.079 0.000 2.400 245 S HA -0.129 4.341 4.470 0.000 0.000 0.232 245 S C 1.281 175.658 174.600 -0.372 0.000 1.025 245 S CA 1.316 59.420 58.200 -0.160 0.000 0.993 245 S CB -0.253 62.873 63.200 -0.123 0.000 0.808 245 S HN 0.316 nan 8.310 nan 0.000 0.478 246 Y N 0.545 120.815 120.300 -0.051 0.000 2.557 246 Y HA 0.334 4.885 4.550 0.000 0.000 0.247 246 Y C 0.356 176.143 175.900 -0.188 0.000 1.164 246 Y CA -0.830 57.199 58.100 -0.119 0.000 1.218 246 Y CB -0.067 38.284 38.460 -0.182 0.000 1.210 246 Y HN 0.019 nan 8.280 nan 0.000 0.529 247 N N 0.510 119.192 118.700 -0.030 0.000 2.727 247 N HA -0.221 4.519 4.740 0.000 0.000 0.249 247 N C -0.366 175.052 175.510 -0.154 0.000 1.048 247 N CA 1.052 54.070 53.050 -0.053 0.000 0.714 247 N CB -1.518 36.941 38.487 -0.046 0.000 0.959 247 N HN 0.465 nan 8.380 nan 0.000 0.544 248 M N -0.297 119.156 119.600 -0.245 0.000 3.346 248 M HA 0.272 4.752 4.480 0.000 0.000 0.240 248 M C 0.532 176.822 176.300 -0.017 0.000 1.190 248 M CA -0.241 54.736 55.300 -0.539 0.000 1.192 248 M CB 0.566 32.694 32.600 -0.786 0.000 1.182 248 M HN 0.237 nan 8.290 nan 0.000 0.570 249 A N 0.508 123.388 122.820 0.100 0.000 2.505 249 A HA 0.465 4.785 4.320 0.000 0.000 0.271 249 A C 1.393 179.119 177.584 0.237 0.000 1.112 249 A CA 0.811 52.926 52.037 0.130 0.000 0.781 249 A CB -0.684 18.371 19.000 0.091 0.000 1.059 249 A HN 1.009 nan 8.150 nan 0.000 0.508 250 G N 1.582 110.478 108.800 0.161 0.000 2.175 250 G HA2 -0.275 3.686 3.960 0.000 0.000 0.244 250 G HA3 -0.275 3.686 3.960 0.000 0.000 0.244 250 G C 0.545 175.505 174.900 0.101 0.000 0.982 250 G CA 0.580 45.736 45.100 0.093 0.000 0.641 250 G HN 0.753 nan 8.290 nan 0.000 0.527 251 W N 0.800 122.060 121.300 -0.066 0.000 2.595 251 W HA 0.321 4.981 4.660 0.000 0.000 0.257 251 W C 1.594 178.068 176.519 -0.075 0.000 1.267 251 W CA 0.583 57.887 57.345 -0.068 0.000 1.300 251 W CB -0.020 29.399 29.460 -0.069 0.000 1.120 251 W HN 0.319 nan 8.180 nan 0.000 0.618 252 R N 0.259 120.840 120.500 0.135 0.000 2.711 252 R HA -0.207 4.133 4.340 0.000 0.000 0.253 252 R C -0.838 175.483 176.300 0.034 0.000 0.879 252 R CA 0.380 56.500 56.100 0.033 0.000 0.686 252 R CB -1.980 28.314 30.300 -0.010 0.000 1.618 252 R HN 0.051 nan 8.270 nan 0.000 0.525 253 I N 0.353 120.934 120.570 0.020 0.000 2.534 253 I HA 0.671 4.841 4.170 0.000 0.000 0.288 253 I C 0.318 176.383 176.117 -0.087 0.000 1.077 253 I CA -0.033 61.273 61.300 0.010 0.000 1.051 253 I CB 2.033 40.066 38.000 0.054 0.000 1.234 253 I HN 0.361 nan 8.210 nan 0.000 0.425 254 G N 5.487 114.240 108.800 -0.079 0.000 2.815 254 G HA2 0.777 4.737 3.960 0.000 0.000 0.305 254 G HA3 0.777 4.737 3.960 0.000 0.000 0.305 254 G C -1.542 173.322 174.900 -0.059 0.000 1.277 254 G CA -0.502 44.436 45.100 -0.269 0.000 0.795 254 G HN 0.679 nan 8.290 nan 0.000 0.528 255 F N -2.671 117.360 119.950 0.135 0.000 2.741 255 F HA 0.775 5.302 4.527 0.000 0.000 0.311 255 F C -0.848 175.059 175.800 0.179 0.000 1.149 255 F CA -1.418 56.672 58.000 0.151 0.000 0.930 255 F CB 2.144 41.205 39.000 0.100 0.000 1.312 255 F HN 0.588 nan 8.300 nan 0.000 0.450 256 M N 3.487 123.293 119.600 0.343 0.000 2.383 256 M HA 0.760 5.240 4.480 0.000 0.000 0.325 256 M C -1.605 174.705 176.300 0.016 0.000 1.092 256 M CA -0.965 54.292 55.300 -0.071 0.000 0.961 256 M CB 2.051 34.401 32.600 -0.418 0.000 1.672 256 M HN 0.780 nan 8.290 nan 0.000 0.438 257 V N 1.727 121.618 119.914 -0.038 0.000 2.823 257 V HA 1.116 5.237 4.120 0.000 0.000 0.312 257 V C -0.279 175.718 176.094 -0.162 0.000 1.072 257 V CA 0.282 62.522 62.300 -0.100 0.000 0.937 257 V CB 1.167 32.882 31.823 -0.181 0.000 1.013 257 V HN 1.085 nan 8.190 nan 0.000 0.430 258 G N 1.986 110.697 108.800 -0.148 0.000 2.441 258 G HA2 0.053 4.014 3.960 0.000 0.000 0.222 258 G HA3 0.053 4.014 3.960 0.000 0.000 0.222 258 G C -0.646 174.204 174.900 -0.083 0.000 1.254 258 G CA -0.329 44.699 45.100 -0.121 0.000 0.959 258 G HN 1.110 nan 8.290 nan 0.000 0.474 259 N N 2.083 120.751 118.700 -0.054 0.000 2.219 259 N HA 0.030 4.771 4.740 0.000 0.000 0.263 259 N C -0.954 174.538 175.510 -0.030 0.000 1.269 259 N CA 0.201 53.232 53.050 -0.032 0.000 0.831 259 N CB 1.590 40.070 38.487 -0.011 0.000 1.059 259 N HN 0.139 nan 8.380 nan 0.000 0.475 260 P HA -0.030 nan 4.420 nan 0.000 0.222 260 P C 0.525 177.818 177.300 -0.011 0.000 1.153 260 P CA 1.147 64.233 63.100 -0.023 0.000 0.798 260 P CB 0.294 31.980 31.700 -0.023 0.000 0.796 261 E N -0.091 120.106 120.200 -0.005 0.000 2.153 261 E HA -0.084 4.266 4.350 0.000 0.000 0.194 261 E C 2.043 178.649 176.600 0.010 0.000 0.988 261 E CA 0.845 57.246 56.400 0.003 0.000 0.811 261 E CB -0.544 29.160 29.700 0.006 0.000 0.746 261 E HN 0.253 nan 8.360 nan 0.000 0.466 262 L N -0.081 121.148 121.223 0.011 0.000 2.209 262 L HA -0.075 4.266 4.340 0.000 0.000 0.207 262 L C 2.259 179.144 176.870 0.024 0.000 1.094 262 L CA 0.241 55.096 54.840 0.025 0.000 0.790 262 L CB -0.130 41.946 42.059 0.028 0.000 0.932 262 L HN 0.044 nan 8.230 nan 0.000 0.447 263 V N -0.734 119.183 119.914 0.005 0.000 2.295 263 V HA -0.272 3.848 4.120 0.000 0.000 0.246 263 V C 2.607 178.709 176.094 0.013 0.000 1.049 263 V CA 2.041 64.346 62.300 0.008 0.000 1.024 263 V CB -0.355 31.463 31.823 -0.009 0.000 0.648 263 V HN 0.357 nan 8.190 nan 0.000 0.447 264 S N -0.046 115.655 115.700 0.002 0.000 2.370 264 S HA -0.200 4.270 4.470 0.000 0.000 0.226 264 S C 2.213 176.805 174.600 -0.013 0.000 1.033 264 S CA 1.444 59.640 58.200 -0.007 0.000 1.011 264 S CB -0.500 62.696 63.200 -0.007 0.000 0.852 264 S HN 0.659 nan 8.310 nan 0.000 0.457 265 A N 1.006 123.828 122.820 0.003 0.000 1.908 265 A HA -0.075 4.245 4.320 0.000 0.000 0.218 265 A C 2.078 179.659 177.584 -0.004 0.000 1.181 265 A CA 1.315 53.355 52.037 0.004 0.000 0.627 265 A CB -0.668 18.351 19.000 0.032 0.000 0.818 265 A HN 0.399 nan 8.150 nan 0.000 0.445 266 L N -0.524 120.720 121.223 0.036 0.000 2.056 266 L HA -0.094 4.246 4.340 0.000 0.000 0.207 266 L C 2.974 179.841 176.870 -0.005 0.000 1.078 266 L CA 1.816 56.698 54.840 0.070 0.000 0.749 266 L CB -0.703 41.446 42.059 0.151 0.000 0.901 266 L HN 0.389 nan 8.230 nan 0.000 0.433 267 A N -0.787 122.022 122.820 -0.017 0.000 1.940 267 A HA -0.237 4.084 4.320 0.000 0.000 0.219 267 A C 2.429 179.915 177.584 -0.163 0.000 1.176 267 A CA 1.679 53.686 52.037 -0.051 0.000 0.631 267 A CB -0.484 18.500 19.000 -0.027 0.000 0.814 267 A HN 0.368 nan 8.150 nan 0.000 0.446 268 R N -0.631 119.745 120.500 -0.207 0.000 2.080 268 R HA -0.111 4.229 4.340 0.000 0.000 0.236 268 R C 2.057 177.887 176.300 -0.783 0.000 1.137 268 R CA 1.833 57.696 56.100 -0.394 0.000 0.943 268 R CB -0.559 29.583 30.300 -0.263 0.000 0.846 268 R HN 0.586 nan 8.270 nan 0.000 0.431 269 I N 0.941 121.176 120.570 -0.559 0.000 2.226 269 I HA -0.299 3.871 4.170 0.000 0.000 0.245 269 I C 2.274 178.023 176.117 -0.614 0.000 1.100 269 I CA 1.458 62.386 61.300 -0.619 0.000 1.374 269 I CB -0.230 37.526 38.000 -0.406 0.000 1.057 269 I HN 0.147 nan 8.210 nan 0.000 0.413 270 K N 0.631 120.810 120.400 -0.367 0.000 2.097 270 K HA -0.165 4.155 4.320 0.000 0.000 0.206 270 K C 2.249 178.727 176.600 -0.203 0.000 1.049 270 K CA 1.808 57.994 56.287 -0.170 0.000 0.933 270 K CB -0.235 32.299 32.500 0.057 0.000 0.717 270 K HN 0.407 nan 8.250 nan 0.000 0.442 271 S N 0.154 115.681 115.700 -0.289 0.000 2.469 271 S HA -0.160 4.310 4.470 0.000 0.000 0.238 271 S C 1.771 176.285 174.600 -0.144 0.000 0.998 271 S CA 0.767 58.845 58.200 -0.204 0.000 0.957 271 S CB -0.620 62.458 63.200 -0.204 0.000 0.764 271 S HN 0.377 nan 8.310 nan 0.000 0.514 272 Y N 0.796 120.986 120.300 -0.184 0.000 2.439 272 Y HA -0.028 4.522 4.550 0.000 0.000 0.292 272 Y C 2.585 178.347 175.900 -0.229 0.000 1.130 272 Y CA 0.898 58.878 58.100 -0.199 0.000 1.254 272 Y CB -0.507 37.814 38.460 -0.232 0.000 1.000 272 Y HN 0.429 nan 8.280 nan 0.000 0.554 273 H N -0.388 118.585 119.070 -0.162 0.000 2.387 273 H HA -0.197 4.359 4.556 0.001 0.000 0.299 273 H C 0.801 175.898 175.328 -0.385 0.000 1.099 273 H CA 1.239 57.003 56.048 -0.473 0.000 1.315 273 H CB -0.135 28.975 29.762 -1.087 0.000 1.380 273 H HN 0.111 nan 8.280 nan 0.000 0.513 274 D N -0.896 119.450 120.400 -0.090 0.000 2.697 274 D HA -0.237 4.403 4.640 0.000 0.000 0.238 274 D C -0.765 175.572 176.300 0.062 0.000 1.152 274 D CA 0.461 54.461 54.000 -0.000 0.000 0.666 274 D CB -1.493 39.324 40.800 0.028 0.000 1.037 274 D HN 0.457 nan 8.370 nan 0.000 0.423 281 L N 0.201 121.430 121.223 0.011 0.000 2.375 281 L HA 0.213 4.554 4.340 0.000 0.000 0.215 281 L C 2.455 179.394 176.870 0.115 0.000 1.108 281 L CA 1.342 56.237 54.840 0.091 0.000 0.830 281 L CB -0.407 41.693 42.059 0.068 0.000 0.959 281 L HN 0.140 nan 8.230 nan 0.000 0.457 282 Q N -0.351 119.487 119.800 0.064 0.000 2.020 282 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 282 Q C 2.232 178.265 176.000 0.054 0.000 0.982 282 Q CA 2.154 57.995 55.803 0.062 0.000 0.838 282 Q CB 0.038 28.807 28.738 0.052 0.000 0.899 282 Q HN 0.360 nan 8.270 nan 0.000 0.423 283 V N 0.953 120.895 119.914 0.046 0.000 2.255 283 V HA -0.323 3.798 4.120 0.000 0.000 0.247 283 V C 2.348 178.469 176.094 0.046 0.000 1.051 283 V CA 1.955 64.279 62.300 0.039 0.000 1.018 283 V CB -1.512 30.330 31.823 0.032 0.000 0.641 283 V HN 0.502 nan 8.190 nan 0.000 0.445 284 A N 0.419 123.283 122.820 0.073 0.000 1.908 284 A HA -0.152 4.169 4.320 0.000 0.000 0.218 284 A C 2.395 179.999 177.584 0.033 0.000 1.181 284 A CA 2.343 54.437 52.037 0.095 0.000 0.627 284 A CB -0.969 18.165 19.000 0.223 0.000 0.818 284 A HN 0.703 nan 8.150 nan 0.000 0.445 285 A N -0.363 122.476 122.820 0.031 0.000 2.125 285 A HA -0.039 4.281 4.320 0.000 0.000 0.219 285 A C 1.972 179.505 177.584 -0.086 0.000 1.156 285 A CA 1.325 53.322 52.037 -0.067 0.000 0.671 285 A CB -0.690 18.301 19.000 -0.015 0.000 0.794 285 A HN 0.559 nan 8.150 nan 0.000 0.459 286 I N -0.403 120.151 120.570 -0.026 0.000 2.226 286 I HA -0.280 3.891 4.170 0.000 0.000 0.245 286 I C 2.947 179.049 176.117 -0.025 0.000 1.100 286 I CA 0.968 62.258 61.300 -0.016 0.000 1.374 286 I CB -0.409 37.598 38.000 0.011 0.000 1.057 286 I HN 0.355 nan 8.210 nan 0.000 0.413 287 A N 1.039 123.850 122.820 -0.015 0.000 1.917 287 A HA -0.242 4.078 4.320 0.000 0.000 0.219 287 A C 2.587 180.177 177.584 0.010 0.000 1.182 287 A CA 2.078 54.135 52.037 0.034 0.000 0.633 287 A CB -0.891 18.157 19.000 0.079 0.000 0.819 287 A HN 0.446 nan 8.150 nan 0.000 0.448 288 A N -0.439 122.267 122.820 -0.190 0.000 1.892 288 A HA -0.117 4.204 4.320 0.000 0.000 0.218 288 A C 2.224 179.630 177.584 -0.296 0.000 1.188 288 A CA 1.772 53.506 52.037 -0.505 0.000 0.631 288 A CB -0.577 17.758 19.000 -1.108 0.000 0.822 288 A HN 0.494 nan 8.150 nan 0.000 0.447 289 L N -0.986 120.134 121.223 -0.172 0.000 2.102 289 L HA -0.071 4.269 4.340 0.000 0.000 0.202 289 L C 2.575 179.515 176.870 0.117 0.000 1.076 289 L CA 1.454 56.313 54.840 0.031 0.000 0.761 289 L CB -0.442 41.608 42.059 -0.015 0.000 0.921 289 L HN 0.730 nan 8.230 nan 0.000 0.444 290 E N 0.384 120.619 120.200 0.059 0.000 2.479 290 E HA 0.090 4.440 4.350 0.000 0.000 0.193 290 E C 1.108 177.729 176.600 0.036 0.000 1.049 290 E CA 0.173 56.603 56.400 0.050 0.000 0.870 290 E CB 0.181 29.895 29.700 0.022 0.000 0.944 290 E HN 0.265 nan 8.360 nan 0.000 0.492 291 G N 1.026 109.858 108.800 0.052 0.000 2.516 291 G HA2 0.010 3.970 3.960 0.000 0.000 0.276 291 G HA3 0.010 3.970 3.960 0.000 0.000 0.276 291 G C -0.662 174.237 174.900 -0.003 0.000 1.390 291 G CA -0.284 44.822 45.100 0.009 0.000 1.050 291 G HN 0.181 nan 8.290 nan 0.000 0.519 292 D N -1.266 119.072 120.400 -0.105 0.000 2.423 292 D HA 0.120 4.761 4.640 0.000 0.000 0.238 292 D C 0.824 177.140 176.300 0.027 0.000 1.142 292 D CA 0.091 54.049 54.000 -0.070 0.000 0.884 292 D CB 0.855 41.570 40.800 -0.142 0.000 1.199 292 D HN 0.098 nan 8.370 nan 0.000 0.438 293 Q N 1.957 121.790 119.800 0.055 0.000 2.194 293 Q HA -0.004 4.336 4.340 0.000 0.000 0.214 293 Q C 0.921 176.956 176.000 0.060 0.000 0.838 293 Q CA -0.009 55.856 55.803 0.103 0.000 0.972 293 Q CB 0.662 29.457 28.738 0.095 0.000 1.131 293 Q HN 0.550 nan 8.270 nan 0.000 0.498 294 Q N 0.792 120.614 119.800 0.038 0.000 2.170 294 Q HA -0.131 4.209 4.340 0.000 0.000 0.203 294 Q C 2.081 178.100 176.000 0.033 0.000 0.976 294 Q CA 1.857 57.674 55.803 0.024 0.000 0.858 294 Q CB -0.441 28.304 28.738 0.012 0.000 0.907 294 Q HN 0.541 nan 8.270 nan 0.000 0.433 295 C N -2.518 116.825 119.300 0.071 0.000 2.422 295 C HA 0.023 4.483 4.460 0.000 0.000 0.279 295 C C 2.316 177.308 174.990 0.004 0.000 1.305 295 C CA 0.433 59.496 59.018 0.074 0.000 1.757 295 C CB -1.218 26.636 27.740 0.190 0.000 1.962 295 C HN 0.299 nan 8.230 nan 0.000 0.499 296 V N 0.954 120.849 119.914 -0.031 0.000 2.379 296 V HA -0.137 3.984 4.120 0.000 0.000 0.245 296 V C 3.126 179.192 176.094 -0.047 0.000 1.044 296 V CA 2.301 64.522 62.300 -0.130 0.000 1.036 296 V CB -0.862 30.846 31.823 -0.191 0.000 0.664 296 V HN 0.520 nan 8.190 nan 0.000 0.453 297 R N 0.101 120.593 120.500 -0.013 0.000 2.083 297 R HA -0.187 4.153 4.340 0.000 0.000 0.237 297 R C 2.101 178.407 176.300 0.009 0.000 1.137 297 R CA 2.133 58.238 56.100 0.009 0.000 0.951 297 R CB -0.359 29.947 30.300 0.010 0.000 0.851 297 R HN 0.515 nan 8.270 nan 0.000 0.434 298 D N 0.104 120.501 120.400 -0.005 0.000 2.123 298 D HA -0.164 4.476 4.640 0.000 0.000 0.196 298 D C 1.817 178.086 176.300 -0.052 0.000 0.992 298 D CA 1.167 55.155 54.000 -0.020 0.000 0.833 298 D CB -0.140 40.650 40.800 -0.018 0.000 0.954 298 D HN 0.281 nan 8.370 nan 0.000 0.455 299 I N 0.930 121.460 120.570 -0.067 0.000 2.163 299 I HA -0.294 3.876 4.170 0.000 0.000 0.243 299 I C 2.405 178.481 176.117 -0.069 0.000 1.085 299 I CA 1.192 62.412 61.300 -0.133 0.000 1.347 299 I CB -0.213 37.725 38.000 -0.104 0.000 1.044 299 I HN -0.045 nan 8.210 nan 0.000 0.408 300 A N 0.538 123.404 122.820 0.076 0.000 1.902 300 A HA -0.267 4.054 4.320 0.000 0.000 0.217 300 A C 2.312 180.022 177.584 0.211 0.000 1.181 300 A CA 1.933 54.107 52.037 0.229 0.000 0.623 300 A CB -0.579 18.527 19.000 0.177 0.000 0.818 300 A HN 0.299 nan 8.150 nan 0.000 0.443 301 R N -0.123 120.432 120.500 0.090 0.000 2.083 301 R HA -0.200 4.140 4.340 0.000 0.000 0.237 301 R C 2.400 178.694 176.300 -0.010 0.000 1.137 301 R CA 2.158 58.285 56.100 0.045 0.000 0.951 301 R CB -0.562 29.746 30.300 0.013 0.000 0.851 301 R HN 0.717 nan 8.270 nan 0.000 0.434 302 Q N -1.163 118.592 119.800 -0.075 0.000 2.061 302 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 302 Q C 1.525 177.456 176.000 -0.115 0.000 0.984 302 Q CA 1.858 57.572 55.803 -0.148 0.000 0.846 302 Q CB -0.199 28.373 28.738 -0.277 0.000 0.902 302 Q HN 0.457 nan 8.270 nan 0.000 0.421 303 Y N 0.775 121.064 120.300 -0.018 0.000 2.242 303 Y HA -0.190 4.361 4.550 0.001 0.000 0.291 303 Y C 2.450 178.220 175.900 -0.217 0.000 1.137 303 Y CA 1.500 59.573 58.100 -0.045 0.000 1.181 303 Y CB -0.522 37.986 38.460 0.079 0.000 0.989 303 Y HN 0.312 nan 8.280 nan 0.000 0.527 304 Q N 0.097 119.834 119.800 -0.106 0.000 2.079 304 Q HA -0.244 4.096 4.340 0.000 0.000 0.200 304 Q C 2.001 177.834 176.000 -0.277 0.000 0.974 304 Q CA 1.792 57.320 55.803 -0.459 0.000 0.840 304 Q CB -0.048 28.563 28.738 -0.212 0.000 0.898 304 Q HN 0.543 nan 8.270 nan 0.000 0.430 305 Q N -0.273 119.444 119.800 -0.139 0.000 2.119 305 Q HA -0.143 4.197 4.340 0.000 0.000 0.201 305 Q C 2.170 178.109 176.000 -0.102 0.000 0.972 305 Q CA 1.299 57.040 55.803 -0.103 0.000 0.847 305 Q CB 0.015 28.711 28.738 -0.070 0.000 0.903 305 Q HN 0.292 nan 8.270 nan 0.000 0.433 306 R N 0.320 120.769 120.500 -0.085 0.000 2.073 306 R HA -0.120 4.220 4.340 0.000 0.000 0.234 306 R C 2.386 178.625 176.300 -0.101 0.000 1.134 306 R CA 1.337 57.401 56.100 -0.060 0.000 0.952 306 R CB -0.295 30.008 30.300 0.005 0.000 0.850 306 R HN 0.156 nan 8.270 nan 0.000 0.433 307 R N 0.968 121.372 120.500 -0.160 0.000 2.103 307 R HA -0.198 4.142 4.340 0.000 0.000 0.242 307 R C 1.062 177.250 176.300 -0.186 0.000 1.142 307 R CA 2.213 58.185 56.100 -0.213 0.000 0.960 307 R CB -0.208 29.861 30.300 -0.385 0.000 0.858 307 R HN 0.171 nan 8.270 nan 0.000 0.439 308 D N -0.244 120.054 120.400 -0.171 0.000 2.144 308 D HA -0.099 4.541 4.640 0.000 0.000 0.200 308 D C 1.943 178.180 176.300 -0.105 0.000 0.978 308 D CA 0.956 54.879 54.000 -0.129 0.000 0.833 308 D CB -0.076 40.660 40.800 -0.107 0.000 0.961 308 D HN 0.074 nan 8.370 nan 0.000 0.470 309 V N 0.759 120.615 119.914 -0.097 0.000 2.295 309 V HA -0.196 3.925 4.120 0.000 0.000 0.246 309 V C 2.380 178.413 176.094 -0.102 0.000 1.049 309 V CA 1.102 63.353 62.300 -0.082 0.000 1.024 309 V CB -0.356 31.428 31.823 -0.065 0.000 0.648 309 V HN 0.150 nan 8.190 nan 0.000 0.447 310 L N -0.388 120.754 121.223 -0.134 0.000 2.027 310 L HA -0.069 4.271 4.340 0.000 0.000 0.206 310 L C 2.344 179.068 176.870 -0.243 0.000 1.074 310 L CA 1.771 56.493 54.840 -0.197 0.000 0.745 310 L CB -0.472 41.443 42.059 -0.241 0.000 0.898 310 L HN 0.101 nan 8.230 nan 0.000 0.433 311 V N 0.036 119.818 119.914 -0.221 0.000 2.255 311 V HA -0.340 3.781 4.120 0.000 0.000 0.247 311 V C 2.668 178.679 176.094 -0.138 0.000 1.051 311 V CA 2.208 64.384 62.300 -0.206 0.000 1.018 311 V CB -0.700 31.026 31.823 -0.163 0.000 0.641 311 V HN 0.503 nan 8.190 nan 0.000 0.445 312 K N -0.073 120.266 120.400 -0.101 0.000 2.020 312 K HA -0.220 4.101 4.320 0.000 0.000 0.212 312 K C 2.168 178.738 176.600 -0.049 0.000 1.050 312 K CA 1.963 58.213 56.287 -0.061 0.000 0.929 312 K CB -0.767 31.703 32.500 -0.051 0.000 0.714 312 K HN 0.527 nan 8.250 nan 0.000 0.443 313 G N 1.362 110.122 108.800 -0.066 0.000 2.446 313 G HA2 -0.247 3.714 3.960 0.000 0.000 0.217 313 G HA3 -0.247 3.714 3.960 0.000 0.000 0.217 313 G C 1.560 176.444 174.900 -0.026 0.000 1.168 313 G CA 0.834 45.907 45.100 -0.045 0.000 0.771 313 G HN 0.235 nan 8.290 nan 0.000 0.551 314 L N -0.384 120.787 121.223 -0.086 0.000 2.083 314 L HA -0.052 4.288 4.340 0.000 0.000 0.209 314 L C 3.174 180.103 176.870 0.099 0.000 1.083 314 L CA 1.015 55.833 54.840 -0.036 0.000 0.752 314 L CB -0.321 41.549 42.059 -0.314 0.000 0.899 314 L HN 0.178 nan 8.230 nan 0.000 0.433 315 R N -0.060 120.459 120.500 0.032 0.000 2.090 315 R HA -0.122 4.218 4.340 0.000 0.000 0.228 315 R C 2.141 178.495 176.300 0.091 0.000 1.110 315 R CA 0.988 57.131 56.100 0.072 0.000 0.973 315 R CB -0.142 30.171 30.300 0.022 0.000 0.869 315 R HN 0.406 nan 8.270 nan 0.000 0.440 316 E N 0.469 120.708 120.200 0.066 0.000 2.160 316 E HA -0.187 4.164 4.350 0.000 0.000 0.195 316 E C 1.649 178.318 176.600 0.114 0.000 0.991 316 E CA 1.258 57.700 56.400 0.070 0.000 0.810 316 E CB -0.056 29.672 29.700 0.046 0.000 0.742 316 E HN 0.347 nan 8.360 nan 0.000 0.466 317 A N 0.023 122.944 122.820 0.167 0.000 2.235 317 A HA 0.218 4.538 4.320 0.000 0.000 0.208 317 A C 1.714 179.509 177.584 0.352 0.000 1.172 317 A CA 0.847 53.048 52.037 0.274 0.000 0.786 317 A CB -0.265 18.919 19.000 0.308 0.000 0.804 317 A HN 0.346 nan 8.150 nan 0.000 0.479 318 G N -2.863 106.089 108.800 0.252 0.000 2.141 318 G HA2 -0.253 3.708 3.960 0.000 0.000 0.242 318 G HA3 -0.253 3.708 3.960 0.000 0.000 0.242 318 G C -0.171 174.880 174.900 0.251 0.000 0.982 318 G CA 0.188 45.401 45.100 0.189 0.000 0.662 318 G HN 0.697 nan 8.290 nan 0.000 0.527 319 W N 2.481 123.874 121.300 0.156 0.000 2.360 319 W HA 0.722 5.382 4.660 0.000 0.000 0.344 319 W C 0.209 176.762 176.519 0.057 0.000 1.025 319 W CA -1.810 55.620 57.345 0.142 0.000 1.480 319 W CB -0.114 29.521 29.460 0.292 0.000 1.350 319 W HN 0.062 nan 8.180 nan 0.000 0.382 320 M N 7.573 127.374 119.600 0.335 0.000 3.706 320 M HA 0.016 4.496 4.480 0.000 0.000 0.204 320 M C 0.392 176.759 176.300 0.112 0.000 1.455 320 M CA -0.501 54.894 55.300 0.158 0.000 1.659 320 M CB -1.926 30.736 32.600 0.104 0.000 1.076 320 M HN 0.143 nan 8.290 nan 0.000 0.577 321 V N -0.999 118.925 119.914 0.016 0.000 2.963 321 V HA 0.208 4.328 4.120 0.000 0.000 0.306 321 V C 0.563 176.626 176.094 -0.051 0.000 1.077 321 V CA -0.763 61.478 62.300 -0.098 0.000 1.124 321 V CB 0.713 32.307 31.823 -0.381 0.000 0.987 321 V HN 0.648 nan 8.190 nan 0.000 0.487 322 E N 2.708 122.901 120.200 -0.013 0.000 2.338 322 E HA 0.099 4.450 4.350 0.000 0.000 0.272 322 E C -0.254 176.336 176.600 -0.017 0.000 1.029 322 E CA -0.476 55.934 56.400 0.015 0.000 0.872 322 E CB 0.651 30.396 29.700 0.075 0.000 1.015 322 E HN 0.851 nan 8.360 nan 0.000 0.417 323 N N 5.565 124.254 118.700 -0.020 0.000 2.442 323 N HA 0.143 4.883 4.740 0.000 0.000 0.265 323 N C -2.397 173.101 175.510 -0.021 0.000 1.138 323 N CA -1.367 51.663 53.050 -0.034 0.000 0.956 323 N CB 0.764 39.237 38.487 -0.024 0.000 1.067 323 N HN 0.246 nan 8.380 nan 0.000 0.474 324 P HA 0.184 nan 4.420 nan 0.000 0.278 324 P C -0.606 176.718 177.300 0.039 0.000 1.238 324 P CA -0.145 62.952 63.100 -0.004 0.000 0.794 324 P CB 1.158 32.882 31.700 0.040 0.000 0.955 325 K N 0.580 120.887 120.400 -0.154 0.000 2.358 325 K HA 0.506 4.826 4.320 0.000 0.000 0.197 325 K C 0.429 176.795 176.600 -0.390 0.000 1.025 325 K CA 0.017 56.149 56.287 -0.259 0.000 1.104 325 K CB 0.584 32.566 32.500 -0.863 0.000 0.855 325 K HN 0.600 nan 8.250 nan 0.000 0.531 326 A N 0.585 123.164 122.820 -0.401 0.000 2.549 326 A HA 0.545 4.865 4.320 0.000 0.000 0.291 326 A C -0.981 176.360 177.584 -0.405 0.000 1.034 326 A CA -0.218 51.438 52.037 -0.636 0.000 0.655 326 A CB 0.621 19.351 19.000 -0.451 0.000 1.299 326 A HN 0.380 nan 8.150 nan 0.000 0.427 327 S N -0.901 114.536 115.700 -0.439 0.000 3.860 327 S HA -0.112 4.359 4.470 0.000 0.000 0.712 327 S C 0.259 174.557 174.600 -0.503 0.000 1.287 327 S CA 1.015 58.890 58.200 -0.541 0.000 1.330 327 S CB -1.484 61.341 63.200 -0.625 0.000 0.442 327 S HN 1.811 nan 8.310 nan 0.000 0.798 328 M N 1.119 120.130 119.600 -0.982 0.000 2.581 328 M HA 0.300 4.781 4.480 0.000 0.000 0.224 328 M C -0.556 175.204 176.300 -0.900 0.000 1.171 328 M CA 0.279 54.964 55.300 -1.025 0.000 0.993 328 M CB -0.307 31.523 32.600 -1.283 0.000 1.685 328 M HN 0.510 nan 8.290 nan 0.000 0.479 329 Y N -1.118 119.059 120.300 -0.205 0.000 2.446 329 Y HA 0.599 5.149 4.550 0.001 0.000 0.345 329 Y C -0.232 175.647 175.900 -0.035 0.000 0.984 329 Y CA -1.443 56.586 58.100 -0.120 0.000 1.058 329 Y CB 1.384 39.721 38.460 -0.205 0.000 1.220 329 Y HN -0.352 nan 8.280 nan 0.000 0.455 330 V N 2.720 122.756 119.914 0.204 0.000 2.384 330 V HA 0.119 4.239 4.120 0.000 0.000 0.287 330 V C -0.909 175.375 176.094 0.317 0.000 1.020 330 V CA -0.923 61.462 62.300 0.142 0.000 0.850 330 V CB 1.291 33.071 31.823 -0.072 0.000 0.987 330 V HN 0.859 nan 8.190 nan 0.000 0.436 331 W N 6.500 127.832 121.300 0.053 0.000 2.295 331 W HA 0.686 5.347 4.660 0.000 0.000 0.333 331 W C -0.244 176.410 176.519 0.225 0.000 0.990 331 W CA -0.845 56.567 57.345 0.110 0.000 1.453 331 W CB 1.127 30.595 29.460 0.013 0.000 1.263 331 W HN 0.634 nan 8.180 nan 0.000 0.380 332 A N 5.874 128.708 122.820 0.024 0.000 2.276 332 A HA 0.312 4.633 4.320 0.000 0.000 0.316 332 A C -0.445 177.092 177.584 -0.078 0.000 1.229 332 A CA -0.662 51.370 52.037 -0.009 0.000 0.851 332 A CB 0.915 19.889 19.000 -0.044 0.000 1.165 332 A HN 0.670 nan 8.150 nan 0.000 0.513 333 K N 3.126 123.397 120.400 -0.215 0.000 2.298 333 K HA 0.352 4.672 4.320 0.000 0.000 0.280 333 K C -0.534 176.012 176.600 -0.090 0.000 1.032 333 K CA -0.273 55.625 56.287 -0.649 0.000 0.958 333 K CB 0.309 32.471 32.500 -0.563 0.000 0.978 333 K HN 0.683 nan 8.250 nan 0.000 0.472 334 I N 7.057 127.476 120.570 -0.252 0.000 2.517 334 I HA 0.043 4.214 4.170 0.000 0.000 0.285 334 I C -1.854 174.013 176.117 -0.417 0.000 1.106 334 I CA -1.985 59.103 61.300 -0.353 0.000 1.402 334 I CB 0.523 38.236 38.000 -0.477 0.000 1.399 334 I HN 0.470 nan 8.210 nan 0.000 0.535 335 P HA -0.105 nan 4.420 nan 0.000 0.260 335 P C 0.633 177.705 177.300 -0.381 0.000 1.172 335 P CA 0.268 63.092 63.100 -0.459 0.000 0.760 335 P CB 0.549 31.899 31.700 -0.583 0.000 0.773 336 E N 7.589 127.619 120.200 -0.283 0.000 2.136 336 E HA -0.234 4.116 4.350 0.000 0.000 0.208 336 E C -0.798 175.648 176.600 -0.256 0.000 1.035 336 E CA 2.567 58.832 56.400 -0.226 0.000 0.838 336 E CB -1.827 27.772 29.700 -0.168 0.000 0.748 336 E HN 0.413 nan 8.360 nan 0.000 0.459 337 P HA -0.144 nan 4.420 nan 0.000 0.225 337 P C 0.475 177.484 177.300 -0.486 0.000 1.148 337 P CA 1.336 64.183 63.100 -0.422 0.000 0.779 337 P CB -0.235 31.115 31.700 -0.585 0.000 0.780 338 Y N -1.203 118.892 120.300 -0.343 0.000 2.485 338 Y HA 0.378 4.928 4.550 0.000 0.000 0.260 338 Y C 2.423 177.987 175.900 -0.559 0.000 1.173 338 Y CA -0.077 57.723 58.100 -0.499 0.000 1.252 338 Y CB -0.382 37.574 38.460 -0.840 0.000 1.123 338 Y HN -0.076 nan 8.280 nan 0.000 0.524 339 A N 0.655 123.316 122.820 -0.265 0.000 1.933 339 A HA -0.230 4.091 4.320 0.000 0.000 0.218 339 A C 2.080 179.571 177.584 -0.155 0.000 1.175 339 A CA 1.910 53.822 52.037 -0.209 0.000 0.628 339 A CB -0.951 17.968 19.000 -0.136 0.000 0.814 339 A HN 0.684 nan 8.150 nan 0.000 0.444 340 H N -0.196 118.824 119.070 -0.083 0.000 2.387 340 H HA -0.089 4.468 4.556 0.000 0.000 0.299 340 H C 1.805 177.124 175.328 -0.016 0.000 1.099 340 H CA 1.587 57.608 56.048 -0.046 0.000 1.315 340 H CB -0.780 28.955 29.762 -0.044 0.000 1.380 340 H HN 0.445 nan 8.280 nan 0.000 0.513 341 L N 0.634 121.528 121.223 -0.549 0.000 2.093 341 L HA 0.049 4.389 4.340 0.000 0.000 0.208 341 L C 1.382 178.205 176.870 -0.079 0.000 1.085 341 L CA 0.933 55.607 54.840 -0.276 0.000 0.755 341 L CB -0.611 41.284 42.059 -0.273 0.000 0.904 341 L HN 0.677 nan 8.230 nan 0.000 0.435 342 G N -0.848 107.905 108.800 -0.077 0.000 2.730 342 G HA2 -0.244 3.716 3.960 0.000 0.000 0.686 342 G HA3 -0.244 3.716 3.960 0.000 0.000 0.686 342 G C 0.622 175.550 174.900 0.046 0.000 1.343 342 G CA -0.131 44.964 45.100 -0.009 0.000 0.826 342 G HN 0.228 nan 8.290 nan 0.000 0.582 343 S N -0.283 115.465 115.700 0.080 0.000 2.382 343 S HA -0.082 4.388 4.470 0.000 0.000 0.228 343 S C 2.422 177.103 174.600 0.135 0.000 1.027 343 S CA 2.002 60.290 58.200 0.146 0.000 0.991 343 S CB -0.197 63.103 63.200 0.167 0.000 0.823 343 S HN 1.550 nan 8.310 nan 0.000 0.469 344 L N 1.864 123.134 121.223 0.079 0.000 1.994 344 L HA -0.003 4.337 4.340 0.000 0.000 0.208 344 L C 2.599 179.498 176.870 0.047 0.000 1.071 344 L CA 1.965 56.834 54.840 0.048 0.000 0.745 344 L CB -0.780 41.289 42.059 0.017 0.000 0.892 344 L HN 0.144 nan 8.230 nan 0.000 0.431 345 E N -1.122 119.111 120.200 0.055 0.000 2.208 345 E HA -0.207 4.143 4.350 0.000 0.000 0.193 345 E C 2.122 178.774 176.600 0.086 0.000 0.988 345 E CA 1.014 57.445 56.400 0.052 0.000 0.828 345 E CB -0.349 29.376 29.700 0.042 0.000 0.763 345 E HN 0.597 nan 8.360 nan 0.000 0.478 346 F N 0.779 120.687 119.950 -0.071 0.000 2.234 346 F HA -0.127 4.401 4.527 0.000 0.000 0.299 346 F C 2.086 177.835 175.800 -0.085 0.000 1.087 346 F CA 1.013 58.947 58.000 -0.111 0.000 1.340 346 F CB 0.205 39.136 39.000 -0.115 0.000 1.031 346 F HN 0.013 nan 8.300 nan 0.000 0.500 347 A N 0.295 123.069 122.820 -0.076 0.000 1.968 347 A HA -0.125 4.195 4.320 0.000 0.000 0.217 347 A C 2.160 179.657 177.584 -0.144 0.000 1.169 347 A CA 1.254 53.195 52.037 -0.160 0.000 0.638 347 A CB -0.464 18.514 19.000 -0.036 0.000 0.812 347 A HN 0.368 nan 8.150 nan 0.000 0.446 348 K N -0.249 120.105 120.400 -0.077 0.000 2.097 348 K HA -0.122 4.199 4.320 0.000 0.000 0.205 348 K C 2.129 178.677 176.600 -0.087 0.000 1.050 348 K CA 1.444 57.695 56.287 -0.060 0.000 0.938 348 K CB -0.124 32.363 32.500 -0.021 0.000 0.718 348 K HN 0.471 nan 8.250 nan 0.000 0.442 349 K N 1.460 121.796 120.400 -0.107 0.000 2.002 349 K HA -0.115 4.205 4.320 0.000 0.000 0.209 349 K C 2.134 178.615 176.600 -0.198 0.000 1.048 349 K CA 1.050 57.266 56.287 -0.118 0.000 0.930 349 K CB -0.097 32.348 32.500 -0.092 0.000 0.714 349 K HN 0.008 nan 8.250 nan 0.000 0.438 350 L N 0.698 121.709 121.223 -0.355 0.000 2.013 350 L HA -0.238 4.103 4.340 0.000 0.000 0.212 350 L C 2.526 179.278 176.870 -0.196 0.000 1.073 350 L CA 0.914 55.544 54.840 -0.349 0.000 0.753 350 L CB -0.518 41.252 42.059 -0.482 0.000 0.890 350 L HN 0.299 nan 8.230 nan 0.000 0.432 351 L N -0.555 120.573 121.223 -0.158 0.000 2.017 351 L HA -0.235 4.105 4.340 0.000 0.000 0.208 351 L C 2.579 179.405 176.870 -0.073 0.000 1.073 351 L CA 1.741 56.522 54.840 -0.099 0.000 0.745 351 L CB -0.515 41.499 42.059 -0.075 0.000 0.894 351 L HN 0.241 nan 8.230 nan 0.000 0.432 352 Q N -0.764 118.996 119.800 -0.067 0.000 2.046 352 Q HA -0.183 4.158 4.340 0.000 0.000 0.200 352 Q C 1.605 177.580 176.000 -0.042 0.000 0.975 352 Q CA 1.856 57.633 55.803 -0.043 0.000 0.836 352 Q CB -0.092 28.628 28.738 -0.029 0.000 0.896 352 Q HN 0.568 nan 8.270 nan 0.000 0.428 353 D N -0.836 119.530 120.400 -0.057 0.000 2.277 353 D HA 0.056 4.696 4.640 0.000 0.000 0.209 353 D C 0.990 177.256 176.300 -0.058 0.000 0.970 353 D CA 0.862 54.836 54.000 -0.043 0.000 0.874 353 D CB 0.297 41.078 40.800 -0.032 0.000 0.982 353 D HN 0.190 nan 8.370 nan 0.000 0.504 354 A N -0.061 122.707 122.820 -0.087 0.000 2.382 354 A HA 0.213 4.534 4.320 0.000 0.000 0.228 354 A C 0.550 178.097 177.584 -0.061 0.000 1.217 354 A CA -0.041 51.945 52.037 -0.085 0.000 0.923 354 A CB 0.251 19.177 19.000 -0.123 0.000 0.979 354 A HN -0.035 nan 8.150 nan 0.000 0.515 355 K N -1.243 119.122 120.400 -0.058 0.000 3.129 355 K HA -0.117 4.203 4.320 0.000 0.000 0.273 355 K C -0.659 175.917 176.600 -0.041 0.000 1.123 355 K CA 0.979 57.241 56.287 -0.042 0.000 0.800 355 K CB -2.496 29.987 32.500 -0.028 0.000 1.238 355 K HN 0.346 nan 8.250 nan 0.000 0.492 356 V N 0.070 119.948 119.914 -0.060 0.000 2.487 356 V HA 0.482 4.602 4.120 0.000 0.000 0.298 356 V C 0.134 176.171 176.094 -0.095 0.000 1.028 356 V CA -0.765 61.501 62.300 -0.057 0.000 0.860 356 V CB 2.024 33.827 31.823 -0.033 0.000 0.991 356 V HN 0.192 nan 8.190 nan 0.000 0.427 357 S N 4.283 119.936 115.700 -0.078 0.000 2.438 357 S HA 0.723 5.193 4.470 0.000 0.000 0.293 357 S C -0.463 174.060 174.600 -0.129 0.000 1.141 357 S CA -0.464 57.685 58.200 -0.085 0.000 1.080 357 S CB 0.810 63.986 63.200 -0.040 0.000 0.978 357 S HN 0.945 nan 8.310 nan 0.000 0.479 358 V N 2.636 122.449 119.914 -0.169 0.000 3.046 358 V HA 0.743 4.863 4.120 0.000 0.000 0.316 358 V C -0.088 175.991 176.094 -0.025 0.000 1.104 358 V CA -0.994 61.173 62.300 -0.221 0.000 1.006 358 V CB 1.600 33.128 31.823 -0.492 0.000 1.058 358 V HN 0.716 nan 8.190 nan 0.000 0.440 359 S N 3.746 119.497 115.700 0.085 0.000 2.465 359 S HA 0.467 4.937 4.470 0.000 0.000 0.279 359 S C -2.460 172.381 174.600 0.402 0.000 1.201 359 S CA -0.729 57.671 58.200 0.333 0.000 1.053 359 S CB 0.670 64.185 63.200 0.525 0.000 0.953 359 S HN 0.833 nan 8.310 nan 0.000 0.488 360 P HA 0.133 nan 4.420 nan 0.000 0.271 360 P C 1.075 178.653 177.300 0.464 0.000 1.220 360 P CA -0.135 63.140 63.100 0.292 0.000 0.768 360 P CB 0.558 32.350 31.700 0.153 0.000 0.848 361 G N 3.133 112.218 108.800 0.475 0.000 2.485 361 G HA2 -0.275 3.685 3.960 0.000 0.000 0.221 361 G HA3 -0.275 3.685 3.960 0.000 0.000 0.221 361 G C 1.247 176.513 174.900 0.609 0.000 1.115 361 G CA 0.227 45.744 45.100 0.695 0.000 0.751 361 G HN 0.576 nan 8.290 nan 0.000 0.567 362 I N 0.803 121.557 120.570 0.305 0.000 2.928 362 I HA 0.105 4.276 4.170 0.000 0.000 0.266 362 I C 2.563 178.671 176.117 -0.016 0.000 1.234 362 I CA 0.871 62.259 61.300 0.146 0.000 1.483 362 I CB -0.086 37.950 38.000 0.060 0.000 1.097 362 I HN 0.131 nan 8.210 nan 0.000 0.455 363 G N 0.210 108.899 108.800 -0.186 0.000 2.535 363 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 363 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 363 G C 0.998 175.527 174.900 -0.619 0.000 1.122 363 G CA 0.450 45.070 45.100 -0.799 0.000 0.769 363 G HN 0.482 nan 8.290 nan 0.000 0.549 364 F N 0.301 120.330 119.950 0.132 0.000 2.678 364 F HA 0.463 4.990 4.527 0.000 0.000 0.305 364 F C 1.307 177.178 175.800 0.119 0.000 1.090 364 F CA 0.275 58.371 58.000 0.161 0.000 1.272 364 F CB 0.844 39.940 39.000 0.160 0.000 1.060 364 F HN 0.289 nan 8.300 nan 0.000 0.576 365 G N 0.100 109.031 108.800 0.217 0.000 2.334 365 G HA2 -0.117 3.843 3.960 0.000 0.000 0.566 365 G HA3 -0.117 3.843 3.960 0.000 0.000 0.566 365 G C -0.567 174.445 174.900 0.186 0.000 1.413 365 G CA -0.763 44.450 45.100 0.189 0.000 0.993 365 G HN -0.108 nan 8.290 nan 0.000 0.642 366 D N -0.644 119.832 120.400 0.126 0.000 2.178 366 D HA -0.057 4.584 4.640 0.000 0.000 0.201 366 D C 1.801 178.101 176.300 0.000 0.000 0.980 366 D CA 1.432 55.444 54.000 0.020 0.000 0.842 366 D CB -0.056 40.689 40.800 -0.091 0.000 0.948 366 D HN 0.465 nan 8.370 nan 0.000 0.472 367 Y N -0.002 120.379 120.300 0.135 0.000 2.632 367 Y HA 0.130 4.681 4.550 0.000 0.000 0.301 367 Y C 2.233 178.260 175.900 0.211 0.000 1.172 367 Y CA 0.565 58.755 58.100 0.149 0.000 1.328 367 Y CB 0.178 38.714 38.460 0.127 0.000 1.016 367 Y HN -0.039 nan 8.280 nan 0.000 0.529 368 G N -1.608 107.413 108.800 0.369 0.000 3.393 368 G HA2 -0.067 3.893 3.960 0.000 0.000 0.255 368 G HA3 -0.067 3.893 3.960 0.000 0.000 0.255 368 G C 0.753 175.868 174.900 0.358 0.000 1.097 368 G CA -0.051 45.334 45.100 0.475 0.000 0.780 368 G HN 0.216 nan 8.290 nan 0.000 0.540 369 D N 1.436 121.973 120.400 0.228 0.000 2.378 369 D HA -0.079 4.561 4.640 0.000 0.000 0.222 369 D C 1.378 177.753 176.300 0.125 0.000 0.980 369 D CA 0.974 55.065 54.000 0.151 0.000 0.907 369 D CB 0.220 41.064 40.800 0.073 0.000 0.899 369 D HN 0.427 nan 8.370 nan 0.000 0.527 370 D N -1.712 118.792 120.400 0.173 0.000 2.424 370 D HA 0.037 4.678 4.640 0.000 0.000 0.220 370 D C -0.263 176.005 176.300 -0.054 0.000 1.150 370 D CA -0.243 53.799 54.000 0.070 0.000 0.831 370 D CB -0.358 40.487 40.800 0.075 0.000 0.981 370 D HN 0.172 nan 8.370 nan 0.000 0.500 371 H N -1.025 117.952 119.070 -0.155 0.000 2.946 371 H HA 0.661 5.218 4.556 0.001 0.000 0.365 371 H C -0.379 174.832 175.328 -0.194 0.000 1.197 371 H CA -0.952 54.850 56.048 -0.410 0.000 1.131 371 H CB 2.195 31.131 29.762 -1.377 0.000 1.849 371 H HN -0.046 nan 8.280 nan 0.000 0.555 372 V N -1.210 118.705 119.914 0.002 0.000 3.074 372 V HA 0.661 4.782 4.120 0.000 0.000 0.314 372 V C -0.386 175.804 176.094 0.160 0.000 1.117 372 V CA -1.129 61.254 62.300 0.138 0.000 1.014 372 V CB 2.234 34.174 31.823 0.195 0.000 1.057 372 V HN 0.721 nan 8.190 nan 0.000 0.438 373 R N 1.488 122.144 120.500 0.260 0.000 2.393 373 R HA 0.582 4.922 4.340 0.000 0.000 0.315 373 R C -1.788 174.588 176.300 0.126 0.000 0.952 373 R CA -0.553 55.736 56.100 0.316 0.000 0.842 373 R CB 1.254 31.676 30.300 0.204 0.000 1.163 373 R HN 0.766 nan 8.270 nan 0.000 0.450 374 F N 2.320 122.343 119.950 0.122 0.000 2.404 374 F HA 0.453 4.980 4.527 0.000 0.000 0.345 374 F C 0.648 176.532 175.800 0.141 0.000 1.110 374 F CA -0.540 57.507 58.000 0.078 0.000 1.130 374 F CB 1.892 40.883 39.000 -0.014 0.000 1.129 374 F HN 0.504 nan 8.300 nan 0.000 0.500 375 A N 4.745 127.732 122.820 0.279 0.000 2.276 375 A HA 0.585 4.905 4.320 0.000 0.000 0.316 375 A C -0.364 177.293 177.584 0.121 0.000 1.229 375 A CA -0.670 51.505 52.037 0.230 0.000 0.851 375 A CB 0.335 19.472 19.000 0.229 0.000 1.165 375 A HN 0.891 nan 8.150 nan 0.000 0.513 376 L N 4.153 125.390 121.223 0.023 0.000 2.533 376 L HA 0.161 4.501 4.340 0.000 0.000 0.239 376 L C 0.595 177.544 176.870 0.131 0.000 1.376 376 L CA 0.258 55.130 54.840 0.053 0.000 1.240 376 L CB -0.838 41.230 42.059 0.015 0.000 1.487 376 L HN 0.842 nan 8.230 nan 0.000 0.419 377 I N -4.434 116.204 120.570 0.113 0.000 4.009 377 I HA 0.375 4.546 4.170 0.000 0.000 0.331 377 I C 0.404 176.574 176.117 0.087 0.000 1.462 377 I CA -0.179 61.199 61.300 0.130 0.000 1.117 377 I CB 0.281 38.341 38.000 0.100 0.000 1.091 377 I HN 0.086 nan 8.210 nan 0.000 0.410 378 E N 2.494 122.736 120.200 0.070 0.000 2.264 378 E HA 0.337 4.688 4.350 0.000 0.000 0.260 378 E C -0.567 176.050 176.600 0.028 0.000 0.961 378 E CA -0.578 55.847 56.400 0.043 0.000 0.834 378 E CB 1.526 31.248 29.700 0.037 0.000 1.230 378 E HN 0.340 nan 8.360 nan 0.000 0.412 379 N N -0.538 118.168 118.700 0.010 0.000 2.381 379 N HA 0.080 4.821 4.740 0.000 0.000 0.254 379 N C 0.688 176.194 175.510 -0.006 0.000 1.264 379 N CA -0.079 52.968 53.050 -0.005 0.000 0.942 379 N CB 0.778 39.258 38.487 -0.012 0.000 1.190 379 N HN 0.252 nan 8.380 nan 0.000 0.495 380 R N -0.703 119.787 120.500 -0.016 0.000 2.096 380 R HA -0.088 4.252 4.340 0.000 0.000 0.235 380 R C 0.740 177.030 176.300 -0.017 0.000 1.127 380 R CA 1.429 57.516 56.100 -0.021 0.000 0.968 380 R CB -0.305 29.978 30.300 -0.029 0.000 0.861 380 R HN 0.625 nan 8.270 nan 0.000 0.440 381 D N 0.237 120.629 120.400 -0.014 0.000 2.116 381 D HA -0.164 4.477 4.640 0.000 0.000 0.193 381 D C 1.960 178.256 176.300 -0.007 0.000 0.998 381 D CA 1.186 55.180 54.000 -0.011 0.000 0.836 381 D CB -0.053 40.742 40.800 -0.009 0.000 0.951 381 D HN 0.089 nan 8.370 nan 0.000 0.449 382 R N 0.100 120.599 120.500 -0.003 0.000 2.148 382 R HA 0.032 4.372 4.340 0.000 0.000 0.223 382 R C 2.548 178.852 176.300 0.007 0.000 1.088 382 R CA 0.155 56.256 56.100 0.003 0.000 0.985 382 R CB -0.517 29.787 30.300 0.007 0.000 0.880 382 R HN 0.318 nan 8.270 nan 0.000 0.451 383 L N -0.025 121.200 121.223 0.003 0.000 2.056 383 L HA -0.114 4.226 4.340 0.000 0.000 0.207 383 L C 2.678 179.540 176.870 -0.012 0.000 1.078 383 L CA 1.268 56.108 54.840 -0.001 0.000 0.749 383 L CB -0.392 41.657 42.059 -0.016 0.000 0.901 383 L HN 0.085 nan 8.230 nan 0.000 0.433 384 R N -0.297 120.193 120.500 -0.017 0.000 2.103 384 R HA -0.251 4.089 4.340 0.000 0.000 0.242 384 R C 2.366 178.660 176.300 -0.011 0.000 1.142 384 R CA 1.855 57.945 56.100 -0.017 0.000 0.960 384 R CB -0.321 29.970 30.300 -0.015 0.000 0.858 384 R HN 0.412 nan 8.270 nan 0.000 0.439 385 Q N -0.016 119.780 119.800 -0.006 0.000 2.084 385 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 385 Q C 1.988 177.985 176.000 -0.005 0.000 0.978 385 Q CA 1.726 57.526 55.803 -0.005 0.000 0.844 385 Q CB -0.077 28.659 28.738 -0.003 0.000 0.898 385 Q HN 0.397 nan 8.270 nan 0.000 0.426 386 A N -0.013 122.809 122.820 0.004 0.000 1.902 386 A HA -0.144 4.176 4.320 0.000 0.000 0.217 386 A C 2.218 179.806 177.584 0.006 0.000 1.181 386 A CA 1.574 53.621 52.037 0.016 0.000 0.623 386 A CB -0.816 18.215 19.000 0.053 0.000 0.818 386 A HN 0.310 nan 8.150 nan 0.000 0.443 387 V N -0.026 119.883 119.914 -0.007 0.000 2.332 387 V HA -0.305 3.815 4.120 0.000 0.000 0.248 387 V C 2.632 178.710 176.094 -0.027 0.000 1.055 387 V CA 2.386 64.673 62.300 -0.022 0.000 1.038 387 V CB -0.840 30.965 31.823 -0.031 0.000 0.651 387 V HN 0.525 nan 8.190 nan 0.000 0.450 388 R N -0.066 120.422 120.500 -0.021 0.000 2.115 388 R HA -0.065 4.275 4.340 0.000 0.000 0.230 388 R C 2.452 178.730 176.300 -0.036 0.000 1.111 388 R CA 1.245 57.332 56.100 -0.020 0.000 0.976 388 R CB -0.666 29.628 30.300 -0.010 0.000 0.870 388 R HN 0.608 nan 8.270 nan 0.000 0.445 389 G N 0.782 109.558 108.800 -0.040 0.000 2.408 389 G HA2 -0.201 3.760 3.960 0.000 0.000 0.217 389 G HA3 -0.201 3.760 3.960 0.000 0.000 0.217 389 G C 1.392 176.226 174.900 -0.109 0.000 1.150 389 G CA 0.412 45.479 45.100 -0.055 0.000 0.776 389 G HN 0.145 nan 8.290 nan 0.000 0.542 390 I N 0.132 120.620 120.570 -0.138 0.000 2.202 390 I HA -0.084 4.087 4.170 0.000 0.000 0.242 390 I C 2.784 178.595 176.117 -0.511 0.000 1.091 390 I CA 1.016 62.126 61.300 -0.316 0.000 1.368 390 I CB -0.124 37.771 38.000 -0.174 0.000 1.058 390 I HN 0.047 nan 8.210 nan 0.000 0.410 391 K N 0.780 121.027 120.400 -0.255 0.000 2.020 391 K HA -0.260 4.060 4.320 0.000 0.000 0.212 391 K C 2.246 178.825 176.600 -0.034 0.000 1.050 391 K CA 1.912 58.135 56.287 -0.106 0.000 0.929 391 K CB -0.372 32.129 32.500 0.001 0.000 0.714 391 K HN 0.347 nan 8.250 nan 0.000 0.443 392 A N 1.488 124.287 122.820 -0.036 0.000 1.883 392 A HA -0.242 4.078 4.320 0.000 0.000 0.217 392 A C 2.138 179.743 177.584 0.035 0.000 1.186 392 A CA 1.900 53.944 52.037 0.012 0.000 0.624 392 A CB -0.607 18.393 19.000 -0.001 0.000 0.822 392 A HN 0.404 nan 8.150 nan 0.000 0.444 393 M N -1.066 118.520 119.600 -0.023 0.000 2.089 393 M HA -0.224 4.256 4.480 0.000 0.000 0.257 393 M C 1.968 178.421 176.300 0.256 0.000 1.071 393 M CA 2.143 57.468 55.300 0.041 0.000 1.096 393 M CB -0.366 32.188 32.600 -0.077 0.000 1.330 393 M HN 0.545 nan 8.290 nan 0.000 0.403 394 F N -0.732 119.293 119.950 0.124 0.000 2.186 394 F HA -0.178 4.349 4.527 0.000 0.000 0.299 394 F C 2.616 178.475 175.800 0.098 0.000 1.090 394 F CA 0.251 58.341 58.000 0.151 0.000 1.307 394 F CB -0.402 38.685 39.000 0.145 0.000 1.019 394 F HN 0.135 nan 8.300 nan 0.000 0.489 395 R N 0.652 121.308 120.500 0.259 0.000 2.081 395 R HA -0.137 4.203 4.340 0.000 0.000 0.235 395 R C 2.320 178.694 176.300 0.124 0.000 1.131 395 R CA 1.337 57.529 56.100 0.153 0.000 0.960 395 R CB -0.779 29.583 30.300 0.104 0.000 0.856 395 R HN 0.244 nan 8.270 nan 0.000 0.436 396 A N 0.770 123.667 122.820 0.129 0.000 2.067 396 A HA -0.085 4.235 4.320 0.000 0.000 0.217 396 A C 1.147 178.802 177.584 0.118 0.000 1.156 396 A CA 1.113 53.212 52.037 0.103 0.000 0.683 396 A CB 0.051 19.103 19.000 0.088 0.000 0.808 396 A HN 0.136 nan 8.150 nan 0.000 0.455 397 D N -1.015 119.489 120.400 0.173 0.000 2.349 397 D HA 0.261 4.902 4.640 0.000 0.000 0.214 397 D C 1.095 177.439 176.300 0.073 0.000 1.063 397 D CA 0.949 55.041 54.000 0.153 0.000 0.847 397 D CB 0.238 41.202 40.800 0.274 0.000 0.933 397 D HN 0.525 nan 8.370 nan 0.000 0.513 398 G N 0.979 109.823 108.800 0.073 0.000 2.171 398 G HA2 -0.247 3.714 3.960 0.000 0.000 0.238 398 G HA3 -0.247 3.714 3.960 0.000 0.000 0.238 398 G C -0.023 174.873 174.900 -0.006 0.000 1.039 398 G CA -0.051 45.065 45.100 0.027 0.000 0.759 398 G HN 0.160 nan 8.290 nan 0.000 0.501 399 L N 0.000 121.230 121.223 0.011 0.000 2.949 399 L HA 0.000 4.340 4.340 0.000 0.000 0.249 399 L CA 0.000 54.813 54.840 -0.045 0.000 0.813 399 L CB 0.000 41.954 42.059 -0.175 0.000 0.961 399 L HN 0.000 nan 8.230 nan 0.000 0.502