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 1jgm_1_A DATA FIRST_RESID 33 DATA SEQUENCE TGDRINTVRG PITISEAGFT LTHEHICGSS AGFLRAWPEF FGSRKALAEK DATA SEQUENCE AVRGLRRARA AGVRTIVDVS TFDIGRDVSL LAEVSRAADV HIVAATGLWF DATA SEQUENCE DPPLSMRLRS VEELTQFFLR EIQYGIEDTG IRAGIIXVAT TGKATPFQEL DATA SEQUENCE VLKAAARASL ATGVPVTTHT AASQRDGEQQ AAIFESEGLS PSRVCIGHSD DATA SEQUENCE DTDDLSYLTA LAARGYLIGL DHIPHSAIGL EDNASASALL GIRSWQTRAL DATA SEQUENCE LIKALIDQGY MKQILVSNDW LFGFSSYVTN IMDVMDRVNP DGMAFIPLRV DATA SEQUENCE IPFLREKGVP QETLAGITVT NPARFLSPTL RAS 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 33 T HA 0.000 nan 4.350 nan 0.000 0.228 33 T C 0.000 174.674 174.700 -0.043 0.000 1.109 33 T CA 0.000 62.075 62.100 -0.042 0.000 1.349 33 T CB 0.000 nan 68.868 nan 0.000 0.612 34 G N 1.464 110.232 108.800 -0.054 0.000 2.398 34 G HA2 0.447 4.407 3.960 0.001 0.000 0.246 34 G HA3 0.447 4.407 3.960 0.001 0.000 0.246 34 G C 0.767 175.637 174.900 -0.050 0.000 1.289 34 G CA 0.404 45.471 45.100 -0.054 0.000 0.869 34 G HN 0.883 nan 8.290 nan 0.000 0.543 35 D N 0.629 121.002 120.400 -0.044 0.000 2.349 35 D HA 0.008 4.649 4.640 0.001 0.000 0.215 35 D C 0.885 177.157 176.300 -0.048 0.000 1.016 35 D CA 0.269 54.245 54.000 -0.041 0.000 0.870 35 D CB 0.476 41.257 40.800 -0.032 0.000 0.917 35 D HN 0.316 nan 8.370 nan 0.000 0.524 36 R N -0.234 120.232 120.500 -0.056 0.000 2.725 36 R HA 0.611 4.951 4.340 0.001 0.000 0.277 36 R C -0.905 175.349 176.300 -0.077 0.000 0.987 36 R CA -0.790 55.272 56.100 -0.064 0.000 0.901 36 R CB 2.308 32.575 30.300 -0.054 0.000 1.207 36 R HN -0.029 nan 8.270 nan 0.000 0.463 37 I N 1.809 122.326 120.570 -0.089 0.000 2.378 37 I HA 0.250 4.421 4.170 0.001 0.000 0.291 37 I C -0.282 175.780 176.117 -0.093 0.000 0.992 37 I CA -0.643 60.598 61.300 -0.098 0.000 1.154 37 I CB 1.880 39.816 38.000 -0.106 0.000 1.315 37 I HN 0.449 nan 8.210 nan 0.000 0.448 38 N N 3.981 122.629 118.700 -0.086 0.000 2.497 38 N HA 0.304 5.045 4.740 0.001 0.000 0.271 38 N C -0.267 175.208 175.510 -0.059 0.000 1.142 38 N CA -0.030 52.979 53.050 -0.069 0.000 0.965 38 N CB 0.957 39.402 38.487 -0.070 0.000 1.077 38 N HN 0.665 nan 8.380 nan 0.000 0.462 39 T N -2.410 112.122 114.554 -0.037 0.000 2.888 39 T HA 0.240 4.591 4.350 0.001 0.000 0.288 39 T C 1.181 175.886 174.700 0.008 0.000 1.063 39 T CA -0.898 61.197 62.100 -0.008 0.000 1.010 39 T CB 0.902 69.782 68.868 0.020 0.000 1.214 39 T HN 0.163 nan 8.240 nan 0.000 0.533 40 V N -0.878 119.051 119.914 0.025 0.000 3.078 40 V HA 0.193 4.313 4.120 0.001 0.000 0.265 40 V C 1.716 177.829 176.094 0.030 0.000 1.122 40 V CA 0.822 63.137 62.300 0.024 0.000 1.141 40 V CB -1.221 30.617 31.823 0.025 0.000 0.735 40 V HN 0.823 nan 8.190 nan 0.000 0.498 41 R N 0.812 121.339 120.500 0.044 0.000 2.432 41 R HA 0.544 4.885 4.340 0.001 0.000 0.260 41 R C 0.897 177.217 176.300 0.035 0.000 0.935 41 R CA 0.503 56.629 56.100 0.045 0.000 1.080 41 R CB 0.784 31.124 30.300 0.066 0.000 1.155 41 R HN 0.723 nan 8.270 nan 0.000 0.531 42 G N 1.611 110.424 108.800 0.021 0.000 2.373 42 G HA2 -0.145 3.816 3.960 0.001 0.000 0.634 42 G HA3 -0.145 3.816 3.960 0.001 0.000 0.634 42 G C -3.044 171.849 174.900 -0.012 0.000 1.267 42 G CA -1.300 43.804 45.100 0.006 0.000 1.008 42 G HN -0.134 nan 8.290 nan 0.000 0.497 43 P HA 0.542 nan 4.420 nan 0.000 0.275 43 P C 0.078 177.343 177.300 -0.058 0.000 1.227 43 P CA -0.091 62.983 63.100 -0.044 0.000 0.781 43 P CB 0.739 32.417 31.700 -0.038 0.000 0.906 44 I N -1.259 119.250 120.570 -0.102 0.000 2.846 44 I HA 0.661 4.831 4.170 0.001 0.000 0.307 44 I C 0.121 176.170 176.117 -0.112 0.000 1.053 44 I CA -1.052 60.163 61.300 -0.142 0.000 1.050 44 I CB 2.268 40.069 38.000 -0.331 0.000 1.239 44 I HN 0.233 nan 8.210 nan 0.000 0.439 45 T N 0.716 115.217 114.554 -0.089 0.000 2.849 45 T HA 0.329 4.680 4.350 0.001 0.000 0.284 45 T C 1.347 176.003 174.700 -0.073 0.000 1.004 45 T CA -0.728 61.334 62.100 -0.064 0.000 1.021 45 T CB 1.115 69.960 68.868 -0.038 0.000 1.013 45 T HN 0.505 nan 8.240 nan 0.000 0.527 46 I N 1.671 122.208 120.570 -0.054 0.000 2.194 46 I HA -0.200 3.971 4.170 0.001 0.000 0.246 46 I C 2.811 178.908 176.117 -0.034 0.000 1.093 46 I CA 1.891 63.163 61.300 -0.047 0.000 1.355 46 I CB -2.216 35.763 38.000 -0.036 0.000 1.046 46 I HN 0.886 nan 8.210 nan 0.000 0.413 47 S N 0.352 116.039 115.700 -0.022 0.000 2.423 47 S HA -0.139 4.332 4.470 0.001 0.000 0.231 47 S C 1.674 176.278 174.600 0.007 0.000 1.014 47 S CA 0.773 58.971 58.200 -0.003 0.000 0.965 47 S CB -0.550 62.652 63.200 0.002 0.000 0.785 47 S HN 0.547 nan 8.310 nan 0.000 0.495 48 E N 1.475 121.665 120.200 -0.016 0.000 2.347 48 E HA 0.084 4.434 4.350 0.001 0.000 0.196 48 E C 2.231 178.835 176.600 0.006 0.000 1.008 48 E CA 0.579 56.982 56.400 0.005 0.000 0.852 48 E CB -0.297 29.366 29.700 -0.062 0.000 0.783 48 E HN 0.697 nan 8.360 nan 0.000 0.505 49 A N 1.476 124.271 122.820 -0.041 0.000 1.902 49 A HA 0.001 4.321 4.320 0.001 0.000 0.217 49 A C 1.627 179.279 177.584 0.113 0.000 1.181 49 A CA 1.427 53.467 52.037 0.005 0.000 0.623 49 A CB -1.081 17.908 19.000 -0.018 0.000 0.818 49 A HN 0.357 nan 8.150 nan 0.000 0.443 50 G N -1.361 107.495 108.800 0.093 0.000 2.578 50 G HA2 -0.255 3.705 3.960 0.001 0.000 0.275 50 G HA3 -0.255 3.705 3.960 0.001 0.000 0.275 50 G C 0.047 175.043 174.900 0.159 0.000 1.271 50 G CA 0.120 45.296 45.100 0.128 0.000 0.941 50 G HN 1.165 nan 8.290 nan 0.000 0.564 51 F N 2.724 122.701 119.950 0.044 0.000 2.571 51 F HA 0.482 5.010 4.527 0.001 0.000 0.390 51 F C 0.909 176.740 175.800 0.051 0.000 1.043 51 F CA 0.850 58.874 58.000 0.039 0.000 1.164 51 F CB 0.207 39.225 39.000 0.030 0.000 1.049 51 F HN 0.472 nan 8.300 nan 0.000 0.552 52 T N 7.630 122.245 114.554 0.102 0.000 2.841 52 T HA 0.469 4.819 4.350 0.001 0.000 0.283 52 T C -0.419 174.342 174.700 0.101 0.000 1.000 52 T CA -0.676 61.512 62.100 0.146 0.000 0.977 52 T CB 1.310 70.220 68.868 0.071 0.000 0.979 52 T HN 0.370 nan 8.240 nan 0.000 0.446 53 L N 3.403 124.731 121.223 0.175 0.000 2.255 53 L HA 0.310 4.650 4.340 0.001 0.000 0.289 53 L C 1.686 178.619 176.870 0.106 0.000 1.046 53 L CA -0.567 54.365 54.840 0.154 0.000 0.816 53 L CB 0.932 43.106 42.059 0.192 0.000 1.197 53 L HN 0.880 nan 8.230 nan 0.000 0.427 54 T N -2.021 112.582 114.554 0.083 0.000 3.129 54 T HA -0.027 4.324 4.350 0.001 0.000 0.251 54 T C 0.447 175.204 174.700 0.094 0.000 1.117 54 T CA 0.343 62.492 62.100 0.083 0.000 1.034 54 T CB -0.327 68.577 68.868 0.060 0.000 0.968 54 T HN 0.613 nan 8.240 nan 0.000 0.526 55 H N 0.461 119.526 119.070 -0.007 0.000 3.162 55 H HA 0.451 5.008 4.556 0.001 0.000 0.309 55 H C -1.080 174.217 175.328 -0.053 0.000 1.156 55 H CA -0.538 55.479 56.048 -0.051 0.000 1.586 55 H CB 0.582 30.322 29.762 -0.036 0.000 1.740 55 H HN 0.046 nan 8.280 nan 0.000 0.525 56 E N 2.352 122.494 120.200 -0.097 0.000 2.460 56 E HA 0.379 4.730 4.350 0.001 0.000 0.277 56 E C -0.968 175.342 176.600 -0.484 0.000 1.010 56 E CA -0.900 55.457 56.400 -0.072 0.000 0.838 56 E CB 2.181 31.901 29.700 0.034 0.000 1.448 56 E HN 0.582 nan 8.360 nan 0.000 0.462 57 H N 0.178 119.211 119.070 -0.062 0.000 2.996 57 H HA 0.301 4.857 4.556 0.001 0.000 0.368 57 H C 0.807 176.076 175.328 -0.098 0.000 1.185 57 H CA -0.537 55.438 56.048 -0.122 0.000 1.160 57 H CB 1.747 31.373 29.762 -0.225 0.000 1.820 57 H HN 0.260 nan 8.280 nan 0.000 0.547 58 I N 0.332 120.971 120.570 0.116 0.000 2.400 58 I HA -0.053 4.118 4.170 0.001 0.000 0.248 58 I C 1.137 177.328 176.117 0.125 0.000 1.109 58 I CA 1.077 62.509 61.300 0.219 0.000 1.425 58 I CB 0.020 38.125 38.000 0.176 0.000 1.094 58 I HN 0.339 nan 8.210 nan 0.000 0.425 59 C N 0.641 119.946 119.300 0.009 0.000 2.701 59 C HA 0.713 5.173 4.460 0.001 0.000 0.336 59 C C 0.291 175.176 174.990 -0.175 0.000 1.123 59 C CA -0.633 58.328 59.018 -0.094 0.000 1.326 59 C CB 0.598 28.232 27.740 -0.177 0.000 1.833 59 C HN 0.513 nan 8.230 nan 0.000 0.473 60 G N 3.891 112.520 108.800 -0.285 0.000 2.475 60 G HA2 0.536 4.497 3.960 0.001 0.000 0.322 60 G HA3 0.536 4.497 3.960 0.001 0.000 0.322 60 G C -0.073 174.739 174.900 -0.147 0.000 1.044 60 G CA 0.346 45.164 45.100 -0.471 0.000 1.047 60 G HN 1.012 nan 8.290 nan 0.000 0.436 61 S N 1.272 116.863 115.700 -0.182 0.000 3.952 61 S HA 0.837 5.308 4.470 0.001 0.000 0.293 61 S C -0.141 174.362 174.600 -0.161 0.000 1.090 61 S CA -0.352 57.787 58.200 -0.102 0.000 1.264 61 S CB 1.152 64.391 63.200 0.066 0.000 1.393 61 S HN 0.554 nan 8.310 nan 0.000 0.757 62 S N 0.455 116.096 115.700 -0.100 0.000 2.569 62 S HA 0.767 5.238 4.470 0.001 0.000 0.280 62 S C -0.780 173.799 174.600 -0.035 0.000 1.111 62 S CA -0.255 57.903 58.200 -0.071 0.000 0.887 62 S CB 1.477 64.637 63.200 -0.068 0.000 1.095 62 S HN 1.047 nan 8.310 nan 0.000 0.476 63 A N 0.751 123.457 122.820 -0.189 0.000 2.566 63 A HA 0.466 4.786 4.320 0.001 0.000 0.245 63 A C 1.570 179.111 177.584 -0.071 0.000 1.056 63 A CA 0.741 52.578 52.037 -0.333 0.000 0.757 63 A CB -1.267 17.221 19.000 -0.852 0.000 0.979 63 A HN 2.074 nan 8.150 nan 0.000 0.508 64 G N 1.536 110.333 108.800 -0.006 0.000 2.220 64 G HA2 -0.393 3.567 3.960 0.001 0.000 0.269 64 G HA3 -0.393 3.567 3.960 0.001 0.000 0.269 64 G C 0.872 175.855 174.900 0.138 0.000 0.977 64 G CA 1.129 46.272 45.100 0.072 0.000 0.634 64 G HN 1.195 nan 8.290 nan 0.000 0.539 65 F N 0.667 120.649 119.950 0.052 0.000 2.075 65 F HA 0.113 4.641 4.527 0.001 0.000 0.297 65 F C 2.515 178.442 175.800 0.212 0.000 1.113 65 F CA 2.292 60.365 58.000 0.123 0.000 1.218 65 F CB -0.298 38.745 39.000 0.072 0.000 0.984 65 F HN 0.223 nan 8.300 nan 0.000 0.472 66 L N 0.959 122.402 121.223 0.366 0.000 2.079 66 L HA -0.196 4.145 4.340 0.001 0.000 0.210 66 L C 2.311 179.276 176.870 0.157 0.000 1.081 66 L CA 1.805 56.828 54.840 0.304 0.000 0.752 66 L CB -0.679 41.456 42.059 0.127 0.000 0.896 66 L HN 0.075 nan 8.230 nan 0.000 0.433 67 R N -0.792 119.767 120.500 0.100 0.000 2.153 67 R HA 0.109 4.449 4.340 0.001 0.000 0.218 67 R C 2.005 178.332 176.300 0.045 0.000 1.072 67 R CA 0.973 57.114 56.100 0.069 0.000 0.990 67 R CB -0.385 29.950 30.300 0.060 0.000 0.889 67 R HN 0.500 nan 8.270 nan 0.000 0.452 68 A N -0.517 122.308 122.820 0.009 0.000 2.081 68 A HA -0.040 4.281 4.320 0.001 0.000 0.214 68 A C 0.508 178.080 177.584 -0.020 0.000 1.158 68 A CA 0.245 52.265 52.037 -0.028 0.000 0.724 68 A CB 0.098 19.063 19.000 -0.057 0.000 0.826 68 A HN 0.410 nan 8.150 nan 0.000 0.463 69 W N 0.944 122.049 121.300 -0.326 0.000 1.290 69 W HA 0.371 5.032 4.660 0.001 0.000 0.304 69 W C -2.603 173.854 176.519 -0.104 0.000 0.858 69 W CA -2.327 54.826 57.345 -0.321 0.000 1.894 69 W CB 0.934 29.965 29.460 -0.715 0.000 1.934 69 W HN 0.125 nan 8.180 nan 0.000 0.472 70 P HA -0.203 nan 4.420 nan 0.000 0.219 70 P C 0.909 178.405 177.300 0.327 0.000 1.146 70 P CA 1.818 65.122 63.100 0.339 0.000 0.808 70 P CB 0.447 32.279 31.700 0.219 0.000 0.779 71 E N -0.996 119.364 120.200 0.268 0.000 2.333 71 E HA -0.140 4.210 4.350 0.001 0.000 0.198 71 E C 1.589 178.175 176.600 -0.023 0.000 1.007 71 E CA 0.544 57.052 56.400 0.179 0.000 0.845 71 E CB -1.198 28.647 29.700 0.241 0.000 0.766 71 E HN 0.275 nan 8.360 nan 0.000 0.507 72 F N -0.303 119.355 119.950 -0.486 0.000 2.269 72 F HA -0.105 4.422 4.527 0.001 0.000 0.301 72 F C 0.767 176.166 175.800 -0.668 0.000 1.082 72 F CA 1.019 58.488 58.000 -0.884 0.000 1.360 72 F CB 0.130 38.311 39.000 -1.366 0.000 1.041 72 F HN -0.045 nan 8.300 nan 0.000 0.512 73 F N -0.219 119.753 119.950 0.037 0.000 2.684 73 F HA 0.406 4.933 4.527 0.001 0.000 0.298 73 F C 1.524 177.319 175.800 -0.009 0.000 1.120 73 F CA 0.353 58.371 58.000 0.030 0.000 1.332 73 F CB 0.285 39.372 39.000 0.145 0.000 0.986 73 F HN 0.128 nan 8.300 nan 0.000 0.524 74 G N 0.798 109.636 108.800 0.063 0.000 4.365 74 G HA2 -0.252 3.709 3.960 0.001 0.000 0.214 74 G HA3 -0.252 3.709 3.960 0.001 0.000 0.214 74 G C 0.235 175.196 174.900 0.101 0.000 1.450 74 G CA 0.112 45.246 45.100 0.057 0.000 0.937 74 G HN 0.888 nan 8.290 nan 0.000 0.625 75 S N -1.278 114.510 115.700 0.147 0.000 2.595 75 S HA 0.668 5.138 4.470 0.001 0.000 0.270 75 S C 0.333 175.017 174.600 0.141 0.000 1.145 75 S CA 0.626 58.908 58.200 0.137 0.000 0.825 75 S CB 1.621 64.873 63.200 0.088 0.000 1.107 75 S HN 0.926 nan 8.310 nan 0.000 0.461 76 R N 1.017 121.586 120.500 0.115 0.000 2.096 76 R HA -0.036 4.305 4.340 0.001 0.000 0.235 76 R C 2.088 178.411 176.300 0.038 0.000 1.127 76 R CA 1.728 57.870 56.100 0.071 0.000 0.968 76 R CB -0.409 29.926 30.300 0.057 0.000 0.861 76 R HN 0.770 nan 8.270 nan 0.000 0.440 77 K N -0.083 120.341 120.400 0.040 0.000 2.057 77 K HA -0.109 4.211 4.320 0.001 0.000 0.207 77 K C 1.893 178.504 176.600 0.018 0.000 1.049 77 K CA 1.384 57.684 56.287 0.022 0.000 0.931 77 K CB -0.135 32.379 32.500 0.022 0.000 0.714 77 K HN 0.239 nan 8.250 nan 0.000 0.440 78 A N 1.257 124.100 122.820 0.039 0.000 1.902 78 A HA -0.146 4.175 4.320 0.001 0.000 0.217 78 A C 2.034 179.639 177.584 0.034 0.000 1.181 78 A CA 1.337 53.397 52.037 0.039 0.000 0.623 78 A CB -0.575 18.460 19.000 0.059 0.000 0.818 78 A HN 0.400 nan 8.150 nan 0.000 0.443 79 L N -0.259 120.991 121.223 0.046 0.000 2.056 79 L HA -0.016 4.324 4.340 0.001 0.000 0.207 79 L C 2.630 179.479 176.870 -0.034 0.000 1.078 79 L CA 2.205 57.057 54.840 0.021 0.000 0.749 79 L CB -0.792 41.242 42.059 -0.041 0.000 0.901 79 L HN 0.321 nan 8.230 nan 0.000 0.433 80 A N -0.730 122.067 122.820 -0.039 0.000 1.902 80 A HA -0.235 4.085 4.320 0.001 0.000 0.217 80 A C 2.184 179.711 177.584 -0.095 0.000 1.181 80 A CA 1.892 53.891 52.037 -0.063 0.000 0.623 80 A CB -0.675 18.302 19.000 -0.038 0.000 0.818 80 A HN 0.620 nan 8.150 nan 0.000 0.443 81 E N -0.587 119.573 120.200 -0.067 0.000 2.077 81 E HA -0.208 4.143 4.350 0.001 0.000 0.193 81 E C 2.117 178.646 176.600 -0.117 0.000 0.989 81 E CA 1.362 57.718 56.400 -0.074 0.000 0.800 81 E CB -0.129 29.548 29.700 -0.038 0.000 0.746 81 E HN 0.663 nan 8.360 nan 0.000 0.452 82 K N 0.722 121.056 120.400 -0.110 0.000 2.057 82 K HA -0.138 4.182 4.320 0.001 0.000 0.207 82 K C 2.119 178.457 176.600 -0.438 0.000 1.049 82 K CA 1.163 57.365 56.287 -0.141 0.000 0.931 82 K CB -0.083 32.412 32.500 -0.008 0.000 0.714 82 K HN 0.072 nan 8.250 nan 0.000 0.440 83 A N 0.610 123.091 122.820 -0.564 0.000 1.902 83 A HA -0.092 4.228 4.320 0.001 0.000 0.217 83 A C 2.215 179.371 177.584 -0.713 0.000 1.181 83 A CA 1.488 52.851 52.037 -1.123 0.000 0.623 83 A CB -0.542 18.162 19.000 -0.493 0.000 0.818 83 A HN 0.177 nan 8.150 nan 0.000 0.443 84 V N 0.090 119.792 119.914 -0.354 0.000 2.358 84 V HA -0.266 3.854 4.120 0.001 0.000 0.246 84 V C 2.642 178.617 176.094 -0.197 0.000 1.047 84 V CA 2.192 64.363 62.300 -0.214 0.000 1.035 84 V CB -0.813 30.933 31.823 -0.128 0.000 0.658 84 V HN 0.532 nan 8.190 nan 0.000 0.452 85 R N 0.141 120.525 120.500 -0.194 0.000 2.083 85 R HA -0.141 4.199 4.340 0.001 0.000 0.237 85 R C 2.492 178.726 176.300 -0.110 0.000 1.137 85 R CA 1.668 57.695 56.100 -0.121 0.000 0.951 85 R CB -0.991 29.261 30.300 -0.081 0.000 0.851 85 R HN 0.588 nan 8.270 nan 0.000 0.434 86 G N 1.210 109.891 108.800 -0.199 0.000 2.421 86 G HA2 -0.230 3.731 3.960 0.001 0.000 0.216 86 G HA3 -0.230 3.731 3.960 0.001 0.000 0.216 86 G C 1.482 176.418 174.900 0.062 0.000 1.171 86 G CA 0.498 45.599 45.100 0.003 0.000 0.775 86 G HN 0.122 nan 8.290 nan 0.000 0.543 87 L N -0.294 120.895 121.223 -0.057 0.000 2.083 87 L HA -0.053 4.287 4.340 0.001 0.000 0.209 87 L C 3.188 180.055 176.870 -0.006 0.000 1.083 87 L CA 0.984 55.843 54.840 0.031 0.000 0.752 87 L CB -0.303 41.741 42.059 -0.024 0.000 0.899 87 L HN 0.158 nan 8.230 nan 0.000 0.433 88 R N -0.341 120.133 120.500 -0.042 0.000 2.081 88 R HA -0.121 4.219 4.340 0.001 0.000 0.235 88 R C 2.437 178.718 176.300 -0.032 0.000 1.131 88 R CA 1.186 57.262 56.100 -0.041 0.000 0.960 88 R CB -0.213 30.058 30.300 -0.049 0.000 0.856 88 R HN 0.356 nan 8.270 nan 0.000 0.436 89 R N 0.068 120.557 120.500 -0.019 0.000 2.092 89 R HA -0.019 4.322 4.340 0.001 0.000 0.231 89 R C 2.295 178.579 176.300 -0.027 0.000 1.119 89 R CA 1.205 57.294 56.100 -0.019 0.000 0.970 89 R CB -0.245 30.053 30.300 -0.003 0.000 0.864 89 R HN 0.182 nan 8.270 nan 0.000 0.440 90 A N 1.260 124.080 122.820 -0.000 0.000 1.930 90 A HA -0.174 4.146 4.320 0.001 0.000 0.217 90 A C 2.131 179.676 177.584 -0.065 0.000 1.175 90 A CA 1.232 53.258 52.037 -0.018 0.000 0.627 90 A CB -0.424 18.605 19.000 0.049 0.000 0.815 90 A HN 0.221 nan 8.150 nan 0.000 0.443 91 R N -0.276 120.197 120.500 -0.046 0.000 2.081 91 R HA -0.080 4.261 4.340 0.001 0.000 0.235 91 R C 2.241 178.492 176.300 -0.083 0.000 1.131 91 R CA 1.402 57.464 56.100 -0.064 0.000 0.960 91 R CB -0.419 29.851 30.300 -0.049 0.000 0.856 91 R HN 0.411 nan 8.270 nan 0.000 0.436 92 A N 0.752 123.530 122.820 -0.070 0.000 1.940 92 A HA -0.099 4.221 4.320 0.001 0.000 0.219 92 A C 2.172 179.698 177.584 -0.096 0.000 1.176 92 A CA 1.686 53.681 52.037 -0.070 0.000 0.631 92 A CB -0.632 18.335 19.000 -0.055 0.000 0.814 92 A HN 0.519 nan 8.150 nan 0.000 0.446 93 A N -2.074 120.672 122.820 -0.124 0.000 2.259 93 A HA 0.418 4.738 4.320 0.001 0.000 0.208 93 A C 1.702 179.119 177.584 -0.278 0.000 1.201 93 A CA 1.200 53.132 52.037 -0.175 0.000 0.824 93 A CB -0.894 18.000 19.000 -0.177 0.000 0.838 93 A HN 1.874 nan 8.150 nan 0.000 0.485 94 G N -2.003 106.644 108.800 -0.255 0.000 2.179 94 G HA2 -0.188 3.773 3.960 0.001 0.000 0.220 94 G HA3 -0.188 3.773 3.960 0.001 0.000 0.220 94 G C 0.167 174.821 174.900 -0.409 0.000 0.990 94 G CA -0.037 44.867 45.100 -0.327 0.000 0.646 94 G HN 0.698 nan 8.290 nan 0.000 0.517 95 V N 2.290 121.991 119.914 -0.354 0.000 2.508 95 V HA 0.358 4.478 4.120 0.001 0.000 0.281 95 V C 1.553 177.654 176.094 0.011 0.000 1.041 95 V CA 0.061 62.272 62.300 -0.149 0.000 1.016 95 V CB 1.332 33.127 31.823 -0.046 0.000 0.984 95 V HN 0.333 nan 8.190 nan 0.000 0.478 96 R N 2.254 122.832 120.500 0.131 0.000 2.225 96 R HA 0.236 4.577 4.340 0.001 0.000 0.194 96 R C 0.261 176.658 176.300 0.163 0.000 0.957 96 R CA 0.394 56.565 56.100 0.118 0.000 1.042 96 R CB 0.553 30.959 30.300 0.177 0.000 1.004 96 R HN 0.672 nan 8.270 nan 0.000 0.509 97 T N 1.641 116.320 114.554 0.208 0.000 2.916 97 T HA 0.583 4.934 4.350 0.001 0.000 0.305 97 T C -0.449 174.351 174.700 0.166 0.000 1.119 97 T CA -0.646 61.579 62.100 0.209 0.000 1.008 97 T CB 2.422 71.414 68.868 0.207 0.000 1.129 97 T HN 0.165 nan 8.240 nan 0.000 0.480 98 I N -1.163 119.487 120.570 0.134 0.000 2.785 98 I HA 0.899 5.069 4.170 0.001 0.000 0.302 98 I C -1.344 174.811 176.117 0.063 0.000 1.069 98 I CA -1.297 60.067 61.300 0.107 0.000 1.045 98 I CB 2.059 40.125 38.000 0.111 0.000 1.236 98 I HN 0.306 nan 8.210 nan 0.000 0.429 99 V N 3.596 123.527 119.914 0.028 0.000 2.334 99 V HA 0.267 4.387 4.120 0.001 0.000 0.281 99 V C -0.493 175.537 176.094 -0.105 0.000 1.016 99 V CA -0.235 62.051 62.300 -0.024 0.000 0.832 99 V CB 1.055 32.872 31.823 -0.010 0.000 0.999 99 V HN 0.736 nan 8.190 nan 0.000 0.439 100 D N 4.347 124.677 120.400 -0.118 0.000 2.393 100 D HA 0.115 4.756 4.640 0.001 0.000 0.232 100 D C 0.816 176.955 176.300 -0.267 0.000 1.192 100 D CA -0.266 53.615 54.000 -0.198 0.000 0.882 100 D CB 1.823 42.570 40.800 -0.089 0.000 1.038 100 D HN 0.463 nan 8.370 nan 0.000 0.499 101 V N 1.712 121.332 119.914 -0.489 0.000 3.544 101 V HA 0.201 4.321 4.120 0.001 0.000 0.304 101 V C 0.419 176.331 176.094 -0.304 0.000 1.256 101 V CA -0.482 61.550 62.300 -0.447 0.000 1.232 101 V CB -0.874 30.563 31.823 -0.643 0.000 1.065 101 V HN 0.273 nan 8.190 nan 0.000 0.423 102 S N 2.649 118.238 115.700 -0.185 0.000 2.481 102 S HA 0.415 4.885 4.470 0.001 0.000 0.276 102 S C 0.853 175.419 174.600 -0.058 0.000 1.247 102 S CA 0.201 58.365 58.200 -0.060 0.000 1.053 102 S CB 0.685 63.886 63.200 0.001 0.000 0.925 102 S HN 0.890 nan 8.310 nan 0.000 0.491 103 T N 0.767 115.295 114.554 -0.043 0.000 2.852 103 T HA 0.385 4.736 4.350 0.001 0.000 0.281 103 T C 1.019 175.815 174.700 0.159 0.000 0.993 103 T CA -0.778 61.372 62.100 0.084 0.000 0.933 103 T CB 0.113 69.079 68.868 0.163 0.000 1.187 103 T HN 0.365 nan 8.240 nan 0.000 0.559 104 F N 2.177 122.226 119.950 0.165 0.000 2.063 104 F HA -0.202 4.325 4.527 0.001 0.000 0.298 104 F C 2.132 178.020 175.800 0.146 0.000 1.109 104 F CA 2.474 60.595 58.000 0.202 0.000 1.212 104 F CB -0.605 38.597 39.000 0.337 0.000 0.973 104 F HN 0.748 nan 8.300 nan 0.000 0.480 105 D N 0.101 120.599 120.400 0.164 0.000 2.371 105 D HA -0.161 4.480 4.640 0.001 0.000 0.221 105 D C 1.848 178.135 176.300 -0.021 0.000 0.986 105 D CA 1.006 55.034 54.000 0.046 0.000 0.899 105 D CB -0.834 40.151 40.800 0.308 0.000 0.902 105 D HN 0.505 nan 8.370 nan 0.000 0.530 106 I N 0.026 120.507 120.570 -0.148 0.000 3.793 106 I HA 0.150 4.321 4.170 0.001 0.000 0.315 106 I C 1.397 177.376 176.117 -0.231 0.000 1.275 106 I CA 0.370 61.440 61.300 -0.384 0.000 1.214 106 I CB -0.016 37.634 38.000 -0.583 0.000 1.018 106 I HN 0.156 nan 8.210 nan 0.000 0.439 107 G N 2.385 111.084 108.800 -0.169 0.000 2.147 107 G HA2 -0.323 3.638 3.960 0.001 0.000 0.244 107 G HA3 -0.323 3.638 3.960 0.001 0.000 0.244 107 G C 0.515 175.377 174.900 -0.062 0.000 1.005 107 G CA -0.051 44.980 45.100 -0.114 0.000 0.713 107 G HN 0.485 nan 8.290 nan 0.000 0.515 108 R N 0.562 121.034 120.500 -0.046 0.000 2.494 108 R HA 0.164 4.505 4.340 0.001 0.000 0.291 108 R C -0.975 175.339 176.300 0.023 0.000 0.953 108 R CA 0.696 56.794 56.100 -0.003 0.000 1.098 108 R CB 0.264 30.584 30.300 0.033 0.000 0.911 108 R HN 0.136 nan 8.270 nan 0.000 0.407 109 D N 5.433 125.843 120.400 0.016 0.000 2.438 109 D HA 0.035 4.675 4.640 0.001 0.000 0.257 109 D C 1.324 177.641 176.300 0.029 0.000 1.148 109 D CA -0.448 53.569 54.000 0.029 0.000 0.902 109 D CB 1.343 42.151 40.800 0.013 0.000 1.062 109 D HN 0.408 nan 8.370 nan 0.000 0.518 110 V N 1.844 121.784 119.914 0.042 0.000 2.469 110 V HA -0.188 3.933 4.120 0.001 0.000 0.251 110 V C 1.878 177.990 176.094 0.030 0.000 1.064 110 V CA 1.662 63.983 62.300 0.035 0.000 1.066 110 V CB -0.795 31.052 31.823 0.041 0.000 0.667 110 V HN 0.317 nan 8.190 nan 0.000 0.461 111 S N 1.063 116.782 115.700 0.032 0.000 2.368 111 S HA -0.116 4.354 4.470 0.001 0.000 0.225 111 S C 1.804 176.415 174.600 0.018 0.000 1.030 111 S CA 1.892 60.108 58.200 0.027 0.000 0.999 111 S CB -0.554 62.664 63.200 0.030 0.000 0.844 111 S HN 0.611 nan 8.310 nan 0.000 0.459 112 L N 1.374 122.605 121.223 0.013 0.000 2.046 112 L HA -0.009 4.332 4.340 0.001 0.000 0.208 112 L C 1.879 178.753 176.870 0.007 0.000 1.077 112 L CA 1.465 56.307 54.840 0.003 0.000 0.747 112 L CB -0.637 41.415 42.059 -0.011 0.000 0.896 112 L HN 0.139 nan 8.230 nan 0.000 0.432 113 L N 0.036 121.268 121.223 0.015 0.000 2.012 113 L HA -0.156 4.185 4.340 0.001 0.000 0.210 113 L C 2.723 179.605 176.870 0.019 0.000 1.073 113 L CA 2.085 56.938 54.840 0.022 0.000 0.748 113 L CB -1.583 40.489 42.059 0.022 0.000 0.891 113 L HN 0.359 nan 8.230 nan 0.000 0.431 114 A N -1.014 121.817 122.820 0.018 0.000 1.902 114 A HA -0.267 4.053 4.320 0.001 0.000 0.217 114 A C 2.355 179.945 177.584 0.010 0.000 1.181 114 A CA 1.840 53.888 52.037 0.017 0.000 0.623 114 A CB -0.618 18.393 19.000 0.019 0.000 0.818 114 A HN 0.512 nan 8.150 nan 0.000 0.443 115 E N 0.114 120.317 120.200 0.005 0.000 2.051 115 E HA -0.173 4.178 4.350 0.001 0.000 0.192 115 E C 2.029 178.622 176.600 -0.012 0.000 0.991 115 E CA 2.169 58.567 56.400 -0.003 0.000 0.799 115 E CB -0.242 29.455 29.700 -0.004 0.000 0.748 115 E HN 0.553 nan 8.360 nan 0.000 0.449 116 V N -0.924 118.981 119.914 -0.015 0.000 2.548 116 V HA -0.150 3.970 4.120 0.001 0.000 0.249 116 V C 2.366 178.446 176.094 -0.023 0.000 1.055 116 V CA 1.988 64.269 62.300 -0.031 0.000 1.065 116 V CB -0.605 31.192 31.823 -0.044 0.000 0.681 116 V HN 0.244 nan 8.190 nan 0.000 0.462 117 S N 0.670 116.368 115.700 -0.004 0.000 2.356 117 S HA -0.230 4.241 4.470 0.001 0.000 0.223 117 S C 2.261 176.849 174.600 -0.019 0.000 1.032 117 S CA 1.986 60.185 58.200 -0.002 0.000 1.005 117 S CB -0.409 62.804 63.200 0.020 0.000 0.867 117 S HN 0.695 nan 8.310 nan 0.000 0.449 118 R N 0.554 121.047 120.500 -0.012 0.000 2.073 118 R HA 0.034 4.375 4.340 0.001 0.000 0.234 118 R C 2.705 178.989 176.300 -0.026 0.000 1.134 118 R CA 1.339 57.430 56.100 -0.016 0.000 0.952 118 R CB -0.632 29.665 30.300 -0.006 0.000 0.850 118 R HN 0.518 nan 8.270 nan 0.000 0.433 119 A N 0.862 123.665 122.820 -0.028 0.000 1.930 119 A HA -0.040 4.280 4.320 0.001 0.000 0.217 119 A C 2.163 179.721 177.584 -0.044 0.000 1.175 119 A CA 1.661 53.678 52.037 -0.035 0.000 0.627 119 A CB -0.348 18.629 19.000 -0.038 0.000 0.815 119 A HN 0.397 nan 8.150 nan 0.000 0.443 120 A N -1.664 121.126 122.820 -0.050 0.000 2.195 120 A HA 0.327 4.647 4.320 0.001 0.000 0.210 120 A C 0.730 178.278 177.584 -0.060 0.000 1.165 120 A CA 1.040 53.044 52.037 -0.055 0.000 0.806 120 A CB -0.149 18.816 19.000 -0.059 0.000 0.847 120 A HN 0.556 nan 8.150 nan 0.000 0.482 121 D N -1.027 119.333 120.400 -0.066 0.000 2.760 121 D HA -0.122 4.519 4.640 0.001 0.000 0.244 121 D C -0.869 175.344 176.300 -0.144 0.000 1.123 121 D CA 0.833 54.775 54.000 -0.098 0.000 0.719 121 D CB -1.578 39.172 40.800 -0.084 0.000 1.045 121 D HN 0.212 nan 8.370 nan 0.000 0.426 122 V N 3.017 122.854 119.914 -0.128 0.000 2.638 122 V HA 0.341 4.462 4.120 0.001 0.000 0.306 122 V C 0.356 176.384 176.094 -0.109 0.000 1.052 122 V CA -0.968 61.254 62.300 -0.129 0.000 0.885 122 V CB 1.978 33.785 31.823 -0.027 0.000 0.999 122 V HN 0.266 nan 8.190 nan 0.000 0.424 123 H N 4.730 123.818 119.070 0.029 0.000 2.848 123 H HA 0.449 5.005 4.556 0.001 0.000 0.341 123 H C -0.428 174.916 175.328 0.028 0.000 1.060 123 H CA 0.347 56.409 56.048 0.024 0.000 1.444 123 H CB 1.050 30.827 29.762 0.024 0.000 1.446 123 H HN 0.431 nan 8.280 nan 0.000 0.583 124 I N 3.192 123.849 120.570 0.145 0.000 2.447 124 I HA 0.125 4.295 4.170 0.001 0.000 0.287 124 I C -0.227 175.919 176.117 0.048 0.000 1.023 124 I CA -0.823 60.526 61.300 0.082 0.000 1.083 124 I CB 2.092 40.127 38.000 0.058 0.000 1.245 124 I HN 0.130 nan 8.210 nan 0.000 0.434 125 V N 5.544 125.470 119.914 0.020 0.000 2.407 125 V HA 0.568 4.688 4.120 0.001 0.000 0.278 125 V C 0.621 176.692 176.094 -0.038 0.000 1.037 125 V CA -0.390 61.900 62.300 -0.017 0.000 0.900 125 V CB 1.380 33.183 31.823 -0.034 0.000 0.983 125 V HN 0.845 nan 8.190 nan 0.000 0.459 126 A N 4.335 127.129 122.820 -0.044 0.000 2.279 126 A HA 0.930 5.250 4.320 0.001 0.000 0.303 126 A C 0.172 177.708 177.584 -0.080 0.000 1.108 126 A CA -0.046 51.960 52.037 -0.051 0.000 0.830 126 A CB 1.073 20.055 19.000 -0.029 0.000 1.106 126 A HN 1.242 nan 8.150 nan 0.000 0.493 127 A N -0.111 122.658 122.820 -0.085 0.000 2.354 127 A HA 0.821 5.142 4.320 0.001 0.000 0.321 127 A C 0.095 177.620 177.584 -0.099 0.000 1.125 127 A CA 0.024 51.994 52.037 -0.111 0.000 0.799 127 A CB 1.393 20.317 19.000 -0.125 0.000 1.293 127 A HN 1.170 nan 8.150 nan 0.000 0.452 128 T N -1.198 113.261 114.554 -0.159 0.000 2.768 128 T HA 0.794 5.144 4.350 0.001 0.000 0.268 128 T C 0.410 174.929 174.700 -0.301 0.000 0.969 128 T CA 0.920 62.903 62.100 -0.196 0.000 1.008 128 T CB 1.012 69.720 68.868 -0.268 0.000 1.371 128 T HN 2.693 nan 8.240 nan 0.000 0.587 129 G N -0.258 108.197 108.800 -0.576 0.000 2.526 129 G HA2 0.104 4.064 3.960 0.001 0.000 0.250 129 G HA3 0.104 4.064 3.960 0.001 0.000 0.250 129 G C -1.805 173.098 174.900 0.005 0.000 1.289 129 G CA -0.357 44.260 45.100 -0.805 0.000 0.947 129 G HN 0.902 nan 8.290 nan 0.000 0.517 130 L N -1.289 120.043 121.223 0.182 0.000 2.482 130 L HA 0.609 4.950 4.340 0.001 0.000 0.263 130 L C -0.033 177.068 176.870 0.385 0.000 0.957 130 L CA -0.725 54.365 54.840 0.416 0.000 0.836 130 L CB 2.228 44.618 42.059 0.552 0.000 1.324 130 L HN 0.851 nan 8.230 nan 0.000 0.406 131 W N 2.671 124.058 121.300 0.146 0.000 2.090 131 W HA 0.326 4.987 4.660 0.001 0.000 0.609 131 W C 0.833 177.427 176.519 0.125 0.000 1.671 131 W CA -0.118 57.252 57.345 0.041 0.000 1.756 131 W CB 0.320 29.695 29.460 -0.142 0.000 2.998 131 W HN 0.353 nan 8.180 nan 0.000 0.761 132 F N 0.980 120.623 119.950 -0.511 0.000 2.660 132 F HA 0.296 4.824 4.527 0.001 0.000 0.297 132 F C 0.175 175.783 175.800 -0.320 0.000 1.132 132 F CA -0.465 57.241 58.000 -0.491 0.000 1.372 132 F CB -0.664 37.913 39.000 -0.704 0.000 1.003 132 F HN 0.059 nan 8.300 nan 0.000 0.524 133 D N 1.901 122.305 120.400 0.007 0.000 2.945 133 D HA 0.249 4.890 4.640 0.001 0.000 0.366 133 D C -2.825 173.593 176.300 0.196 0.000 1.352 133 D CA -2.085 51.988 54.000 0.122 0.000 0.810 133 D CB 0.500 41.395 40.800 0.159 0.000 1.170 133 D HN 0.036 nan 8.370 nan 0.000 0.461 134 P HA 0.224 nan 4.420 nan 0.000 0.271 134 P C -2.563 174.802 177.300 0.108 0.000 1.216 134 P CA -1.043 62.196 63.100 0.231 0.000 0.771 134 P CB 0.774 32.625 31.700 0.252 0.000 0.864 135 P HA 0.199 nan 4.420 nan 0.000 0.277 135 P C 1.291 178.585 177.300 -0.010 0.000 1.271 135 P CA -0.504 62.639 63.100 0.073 0.000 0.795 135 P CB 1.136 32.913 31.700 0.128 0.000 1.101 136 L N 0.086 121.292 121.223 -0.028 0.000 2.051 136 L HA -0.235 4.105 4.340 0.001 0.000 0.214 136 L C 2.551 179.371 176.870 -0.084 0.000 1.076 136 L CA 2.002 56.798 54.840 -0.072 0.000 0.758 136 L CB -1.030 41.002 42.059 -0.044 0.000 0.890 136 L HN 0.383 nan 8.230 nan 0.000 0.433 137 S N -1.035 114.639 115.700 -0.042 0.000 2.419 137 S HA -0.139 4.332 4.470 0.001 0.000 0.235 137 S C 1.865 176.404 174.600 -0.103 0.000 1.019 137 S CA 1.165 59.328 58.200 -0.060 0.000 0.982 137 S CB -0.061 63.115 63.200 -0.041 0.000 0.789 137 S HN 0.308 nan 8.310 nan 0.000 0.490 138 M N 0.691 120.233 119.600 -0.097 0.000 2.429 138 M HA 0.165 4.645 4.480 0.001 0.000 0.265 138 M C 1.896 178.081 176.300 -0.191 0.000 1.120 138 M CA 0.843 56.093 55.300 -0.083 0.000 1.173 138 M CB -0.845 31.778 32.600 0.038 0.000 1.343 138 M HN 0.223 nan 8.290 nan 0.000 0.464 139 R N 0.468 120.668 120.500 -0.500 0.000 2.193 139 R HA -0.027 4.314 4.340 0.001 0.000 0.229 139 R C 1.707 177.654 176.300 -0.589 0.000 1.110 139 R CA 0.888 56.315 56.100 -1.121 0.000 0.988 139 R CB -0.445 29.384 30.300 -0.786 0.000 0.871 139 R HN 0.354 nan 8.270 nan 0.000 0.458 140 L N 0.675 121.750 121.223 -0.246 0.000 2.592 140 L HA 0.113 4.454 4.340 0.001 0.000 0.227 140 L C 0.572 177.442 176.870 0.000 0.000 1.127 140 L CA -0.081 54.702 54.840 -0.095 0.000 0.884 140 L CB -0.067 41.948 42.059 -0.074 0.000 1.065 140 L HN 0.014 nan 8.230 nan 0.000 0.457 141 R N 0.940 121.473 120.500 0.056 0.000 2.582 141 R HA 0.223 4.564 4.340 0.001 0.000 0.271 141 R C 0.524 176.907 176.300 0.138 0.000 1.078 141 R CA -0.033 56.119 56.100 0.087 0.000 1.127 141 R CB 0.910 31.247 30.300 0.062 0.000 1.038 141 R HN 0.080 nan 8.270 nan 0.000 0.500 142 S N -0.499 115.238 115.700 0.062 0.000 2.669 142 S HA 0.070 4.540 4.470 0.001 0.000 0.270 142 S C 1.266 175.874 174.600 0.012 0.000 1.225 142 S CA -0.736 57.491 58.200 0.046 0.000 0.991 142 S CB 1.199 64.411 63.200 0.021 0.000 0.987 142 S HN 0.420 nan 8.310 nan 0.000 0.552 143 V N 0.998 120.911 119.914 -0.003 0.000 2.407 143 V HA -0.157 3.964 4.120 0.001 0.000 0.248 143 V C 2.202 178.269 176.094 -0.044 0.000 1.055 143 V CA 2.435 64.715 62.300 -0.035 0.000 1.049 143 V CB -1.171 30.641 31.823 -0.018 0.000 0.662 143 V HN 0.925 nan 8.190 nan 0.000 0.455 144 E N 0.238 120.425 120.200 -0.021 0.000 2.051 144 E HA -0.200 4.151 4.350 0.001 0.000 0.192 144 E C 2.159 178.738 176.600 -0.034 0.000 0.991 144 E CA 1.829 58.217 56.400 -0.020 0.000 0.799 144 E CB -0.256 29.441 29.700 -0.004 0.000 0.748 144 E HN 0.740 nan 8.360 nan 0.000 0.449 145 E N 0.384 120.565 120.200 -0.031 0.000 2.051 145 E HA -0.156 4.195 4.350 0.001 0.000 0.192 145 E C 2.125 178.676 176.600 -0.081 0.000 0.991 145 E CA 0.834 57.213 56.400 -0.035 0.000 0.799 145 E CB -0.170 29.516 29.700 -0.024 0.000 0.748 145 E HN 0.203 nan 8.360 nan 0.000 0.449 146 L N 0.820 121.953 121.223 -0.150 0.000 2.079 146 L HA -0.198 4.142 4.340 0.001 0.000 0.210 146 L C 2.527 179.059 176.870 -0.563 0.000 1.081 146 L CA 1.188 55.801 54.840 -0.378 0.000 0.752 146 L CB -0.675 41.124 42.059 -0.434 0.000 0.896 146 L HN 0.222 nan 8.230 nan 0.000 0.433 147 T N -1.207 113.174 114.554 -0.288 0.000 2.746 147 T HA -0.196 4.155 4.350 0.001 0.000 0.267 147 T C 1.919 176.570 174.700 -0.082 0.000 1.039 147 T CA 1.050 63.055 62.100 -0.157 0.000 1.142 147 T CB -0.120 68.723 68.868 -0.042 0.000 0.866 147 T HN 0.301 nan 8.240 nan 0.000 0.444 148 Q N 0.184 119.958 119.800 -0.043 0.000 2.124 148 Q HA -0.032 4.309 4.340 0.001 0.000 0.202 148 Q C 2.041 178.082 176.000 0.068 0.000 0.977 148 Q CA 1.225 57.044 55.803 0.027 0.000 0.850 148 Q CB -0.649 28.117 28.738 0.047 0.000 0.901 148 Q HN 0.644 nan 8.270 nan 0.000 0.429 149 F N 0.315 120.195 119.950 -0.116 0.000 2.146 149 F HA -0.220 4.307 4.527 0.001 0.000 0.298 149 F C 1.724 177.590 175.800 0.110 0.000 1.096 149 F CA 0.927 58.895 58.000 -0.053 0.000 1.275 149 F CB -0.048 38.867 39.000 -0.141 0.000 1.008 149 F HN -0.079 nan 8.300 nan 0.000 0.480 150 F N 0.888 120.724 119.950 -0.190 0.000 2.134 150 F HA -0.157 4.370 4.527 0.001 0.000 0.299 150 F C 2.214 177.859 175.800 -0.258 0.000 1.097 150 F CA 0.912 58.734 58.000 -0.297 0.000 1.264 150 F CB -1.517 37.426 39.000 -0.096 0.000 1.001 150 F HN 0.025 nan 8.300 nan 0.000 0.479 151 L N -0.426 120.808 121.223 0.019 0.000 2.083 151 L HA -0.197 4.143 4.340 0.001 0.000 0.209 151 L C 2.727 179.502 176.870 -0.159 0.000 1.083 151 L CA 1.266 56.062 54.840 -0.074 0.000 0.752 151 L CB -0.571 41.460 42.059 -0.046 0.000 0.899 151 L HN 0.061 nan 8.230 nan 0.000 0.433 152 R N 0.637 121.098 120.500 -0.065 0.000 2.083 152 R HA -0.203 4.137 4.340 0.001 0.000 0.237 152 R C 2.034 178.290 176.300 -0.073 0.000 1.137 152 R CA 1.876 58.001 56.100 0.040 0.000 0.951 152 R CB -0.172 30.190 30.300 0.103 0.000 0.851 152 R HN 0.436 nan 8.270 nan 0.000 0.434 153 E N -0.028 120.051 120.200 -0.201 0.000 2.150 153 E HA -0.165 4.186 4.350 0.001 0.000 0.193 153 E C 2.060 178.568 176.600 -0.152 0.000 0.985 153 E CA 1.262 57.551 56.400 -0.185 0.000 0.814 153 E CB -0.022 29.495 29.700 -0.305 0.000 0.752 153 E HN 0.482 nan 8.360 nan 0.000 0.466 154 I N 0.739 121.199 120.570 -0.183 0.000 2.400 154 I HA -0.209 3.961 4.170 0.001 0.000 0.248 154 I C 2.369 178.355 176.117 -0.219 0.000 1.109 154 I CA 0.943 62.136 61.300 -0.179 0.000 1.425 154 I CB -0.015 37.882 38.000 -0.171 0.000 1.094 154 I HN 0.005 nan 8.210 nan 0.000 0.425 155 Q N -0.549 119.034 119.800 -0.361 0.000 2.165 155 Q HA -0.065 4.275 4.340 0.001 0.000 0.197 155 Q C 1.758 177.448 176.000 -0.516 0.000 0.952 155 Q CA 1.271 56.739 55.803 -0.557 0.000 0.848 155 Q CB 0.103 28.267 28.738 -0.956 0.000 0.931 155 Q HN 0.453 nan 8.270 nan 0.000 0.470 156 Y N -0.577 119.707 120.300 -0.027 0.000 2.464 156 Y HA 0.400 4.950 4.550 0.001 0.000 0.288 156 Y C 1.054 176.946 175.900 -0.013 0.000 1.133 156 Y CA 0.490 58.580 58.100 -0.016 0.000 1.223 156 Y CB 0.586 39.042 38.460 -0.008 0.000 1.187 156 Y HN 0.072 nan 8.280 nan 0.000 0.539 157 G N -0.195 108.673 108.800 0.113 0.000 2.312 157 G HA2 0.146 4.107 3.960 0.001 0.000 0.347 157 G HA3 0.146 4.107 3.960 0.001 0.000 0.347 157 G C -1.474 173.460 174.900 0.057 0.000 1.564 157 G CA -1.157 43.981 45.100 0.064 0.000 0.981 157 G HN 0.008 nan 8.290 nan 0.000 0.678 158 I N 2.106 122.701 120.570 0.042 0.000 2.441 158 I HA 0.320 4.490 4.170 0.001 0.000 0.287 158 I C 1.163 177.337 176.117 0.095 0.000 1.049 158 I CA 0.358 61.696 61.300 0.063 0.000 1.381 158 I CB 0.790 38.823 38.000 0.056 0.000 1.409 158 I HN 0.960 nan 8.210 nan 0.000 0.523 159 E N 3.489 123.768 120.200 0.132 0.000 3.374 159 E HA -0.320 4.030 4.350 0.001 0.000 0.319 159 E C -0.065 176.593 176.600 0.096 0.000 1.492 159 E CA 1.618 58.096 56.400 0.129 0.000 1.899 159 E CB -0.477 29.300 29.700 0.128 0.000 1.894 159 E HN 0.927 nan 8.360 nan 0.000 0.484 160 D N 0.164 120.612 120.400 0.079 0.000 2.463 160 D HA 0.045 4.686 4.640 0.001 0.000 0.224 160 D C 0.975 177.307 176.300 0.053 0.000 1.174 160 D CA 0.864 54.901 54.000 0.062 0.000 0.829 160 D CB -0.158 40.673 40.800 0.052 0.000 0.993 160 D HN 0.417 nan 8.370 nan 0.000 0.497 161 T N -4.437 110.151 114.554 0.057 0.000 3.057 161 T HA 0.300 4.650 4.350 0.001 0.000 0.254 161 T C 1.847 176.573 174.700 0.042 0.000 1.094 161 T CA 0.648 62.776 62.100 0.046 0.000 1.088 161 T CB -0.149 68.747 68.868 0.046 0.000 0.934 161 T HN 0.329 nan 8.240 nan 0.000 0.497 162 G N 1.512 110.341 108.800 0.049 0.000 2.184 162 G HA2 -0.233 3.728 3.960 0.001 0.000 0.264 162 G HA3 -0.233 3.728 3.960 0.001 0.000 0.264 162 G C 0.091 175.012 174.900 0.034 0.000 0.975 162 G CA 0.190 45.318 45.100 0.047 0.000 0.642 162 G HN 0.666 nan 8.290 nan 0.000 0.536 163 I N 1.720 122.308 120.570 0.029 0.000 2.436 163 I HA 0.253 4.423 4.170 0.001 0.000 0.289 163 I C 0.993 177.111 176.117 0.002 0.000 1.083 163 I CA -0.297 61.012 61.300 0.016 0.000 1.372 163 I CB 0.520 38.532 38.000 0.019 0.000 1.408 163 I HN 0.073 nan 8.210 nan 0.000 0.516 164 R N 5.340 125.831 120.500 -0.016 0.000 2.297 164 R HA 0.587 4.928 4.340 0.001 0.000 0.308 164 R C -0.030 176.232 176.300 -0.063 0.000 1.029 164 R CA -0.606 55.467 56.100 -0.046 0.000 0.929 164 R CB 1.220 31.485 30.300 -0.059 0.000 1.046 164 R HN 0.704 nan 8.270 nan 0.000 0.461 165 A N 1.603 124.372 122.820 -0.085 0.000 2.445 165 A HA 0.338 4.658 4.320 0.001 0.000 0.242 165 A C 1.070 178.585 177.584 -0.115 0.000 1.075 165 A CA 0.032 52.010 52.037 -0.099 0.000 0.777 165 A CB 0.422 19.347 19.000 -0.125 0.000 1.013 165 A HN 0.937 nan 8.150 nan 0.000 0.493 166 G N 0.426 109.156 108.800 -0.117 0.000 3.324 166 G HA2 0.459 4.420 3.960 0.001 0.000 0.251 166 G HA3 0.459 4.420 3.960 0.001 0.000 0.251 166 G C -0.006 174.788 174.900 -0.176 0.000 1.072 166 G CA 0.337 45.355 45.100 -0.136 0.000 0.787 166 G HN 0.730 nan 8.290 nan 0.000 0.537 167 I N -0.518 119.945 120.570 -0.177 0.000 2.947 167 I HA 0.511 4.682 4.170 0.001 0.000 0.301 167 I C -1.456 174.542 176.117 -0.199 0.000 1.453 167 I CA -1.138 60.039 61.300 -0.205 0.000 0.984 167 I CB 2.362 40.258 38.000 -0.173 0.000 1.333 167 I HN -0.109 nan 8.210 nan 0.000 0.475 171 A N 0.527 123.502 122.820 0.259 0.000 2.608 171 A HA 1.044 5.364 4.320 0.001 0.000 0.292 171 A C -0.468 177.225 177.584 0.182 0.000 1.066 171 A CA -0.005 52.203 52.037 0.285 0.000 0.676 171 A CB 1.561 20.737 19.000 0.293 0.000 1.277 171 A HN 2.720 nan 8.150 nan 0.000 0.413 172 T N -1.674 112.991 114.554 0.186 0.000 2.900 172 T HA 0.772 5.123 4.350 0.001 0.000 0.303 172 T C -0.508 174.240 174.700 0.080 0.000 1.142 172 T CA 0.031 62.178 62.100 0.079 0.000 1.007 172 T CB 1.679 70.573 68.868 0.043 0.000 1.156 172 T HN 1.861 nan 8.240 nan 0.000 0.490 173 T N -1.094 113.428 114.554 -0.054 0.000 3.418 173 T HA 0.687 5.037 4.350 0.001 0.000 0.315 173 T C 0.751 175.404 174.700 -0.078 0.000 1.447 173 T CA 0.092 62.138 62.100 -0.090 0.000 1.641 173 T CB -0.155 68.502 68.868 -0.351 0.000 0.904 173 T HN 2.125 nan 8.240 nan 0.000 0.640 174 G N 2.019 110.800 108.800 -0.033 0.000 2.512 174 G HA2 -0.119 3.841 3.960 0.001 0.000 0.210 174 G HA3 -0.119 3.841 3.960 0.001 0.000 0.210 174 G C -0.512 174.365 174.900 -0.038 0.000 1.295 174 G CA -0.581 44.493 45.100 -0.042 0.000 0.934 174 G HN 0.822 nan 8.290 nan 0.000 0.554 175 K N 0.922 121.298 120.400 -0.040 0.000 2.491 175 K HA 0.459 4.780 4.320 0.001 0.000 0.279 175 K C 0.960 177.541 176.600 -0.032 0.000 1.026 175 K CA 0.410 56.676 56.287 -0.036 0.000 1.070 175 K CB 0.081 32.562 32.500 -0.032 0.000 0.887 175 K HN 1.562 nan 8.250 nan 0.000 0.481 176 A N 3.841 126.642 122.820 -0.032 0.000 2.531 176 A HA 0.078 4.398 4.320 0.001 0.000 0.236 176 A C 0.414 177.993 177.584 -0.009 0.000 1.062 176 A CA 0.217 52.239 52.037 -0.025 0.000 0.760 176 A CB -0.048 18.926 19.000 -0.043 0.000 0.995 176 A HN 0.890 nan 8.150 nan 0.000 0.501 177 T N 0.252 114.815 114.554 0.014 0.000 2.816 177 T HA 0.418 4.769 4.350 0.001 0.000 0.282 177 T C -1.937 172.797 174.700 0.055 0.000 0.993 177 T CA -1.265 60.858 62.100 0.040 0.000 0.994 177 T CB 0.621 69.534 68.868 0.075 0.000 1.025 177 T HN 0.326 nan 8.240 nan 0.000 0.529 178 P HA -0.027 nan 4.420 nan 0.000 0.216 178 P C 1.165 178.534 177.300 0.115 0.000 1.150 178 P CA 0.645 63.788 63.100 0.072 0.000 0.837 178 P CB -0.128 31.615 31.700 0.073 0.000 0.786 179 F N 0.594 120.555 119.950 0.018 0.000 2.186 179 F HA -0.156 4.372 4.527 0.001 0.000 0.299 179 F C 2.113 177.944 175.800 0.051 0.000 1.090 179 F CA 1.560 59.580 58.000 0.034 0.000 1.307 179 F CB -0.745 38.279 39.000 0.039 0.000 1.019 179 F HN -0.106 nan 8.300 nan 0.000 0.489 180 Q N 0.019 119.829 119.800 0.017 0.000 2.170 180 Q HA -0.200 4.140 4.340 0.001 0.000 0.203 180 Q C 2.057 177.989 176.000 -0.112 0.000 0.976 180 Q CA 1.857 57.620 55.803 -0.067 0.000 0.858 180 Q CB -0.272 28.480 28.738 0.023 0.000 0.907 180 Q HN 0.557 nan 8.270 nan 0.000 0.433 181 E N 0.503 120.655 120.200 -0.081 0.000 2.106 181 E HA -0.154 4.197 4.350 0.001 0.000 0.192 181 E C 2.025 178.566 176.600 -0.098 0.000 0.984 181 E CA 0.730 57.078 56.400 -0.085 0.000 0.806 181 E CB -0.048 29.620 29.700 -0.053 0.000 0.750 181 E HN 0.353 nan 8.360 nan 0.000 0.458 182 L N 0.610 121.750 121.223 -0.139 0.000 2.046 182 L HA -0.172 4.169 4.340 0.001 0.000 0.208 182 L C 2.508 179.273 176.870 -0.175 0.000 1.077 182 L CA 0.786 55.535 54.840 -0.152 0.000 0.747 182 L CB -0.466 41.478 42.059 -0.191 0.000 0.896 182 L HN 0.062 nan 8.230 nan 0.000 0.432 183 V N -0.097 119.636 119.914 -0.302 0.000 2.343 183 V HA -0.283 3.838 4.120 0.001 0.000 0.247 183 V C 2.432 178.606 176.094 0.134 0.000 1.051 183 V CA 1.470 63.714 62.300 -0.093 0.000 1.036 183 V CB -0.353 31.389 31.823 -0.137 0.000 0.654 183 V HN 0.256 nan 8.190 nan 0.000 0.451 184 L N -0.279 120.977 121.223 0.056 0.000 2.083 184 L HA -0.165 4.175 4.340 0.001 0.000 0.209 184 L C 2.386 179.388 176.870 0.219 0.000 1.083 184 L CA 1.887 56.808 54.840 0.135 0.000 0.752 184 L CB -0.742 41.212 42.059 -0.174 0.000 0.899 184 L HN 0.279 nan 8.230 nan 0.000 0.433 185 K N -0.867 119.593 120.400 0.100 0.000 2.057 185 K HA -0.082 4.238 4.320 0.001 0.000 0.206 185 K C 2.180 178.867 176.600 0.146 0.000 1.050 185 K CA 1.273 57.627 56.287 0.112 0.000 0.935 185 K CB -0.371 32.156 32.500 0.044 0.000 0.715 185 K HN 0.305 nan 8.250 nan 0.000 0.439 186 A N 1.654 124.560 122.820 0.143 0.000 1.930 186 A HA -0.091 4.230 4.320 0.001 0.000 0.217 186 A C 2.396 180.194 177.584 0.356 0.000 1.175 186 A CA 1.741 53.874 52.037 0.161 0.000 0.627 186 A CB -0.671 18.318 19.000 -0.019 0.000 0.815 186 A HN 0.322 nan 8.150 nan 0.000 0.443 187 A N -0.005 123.083 122.820 0.446 0.000 1.902 187 A HA 0.136 4.456 4.320 0.001 0.000 0.217 187 A C 2.519 180.208 177.584 0.175 0.000 1.181 187 A CA 2.157 54.377 52.037 0.305 0.000 0.623 187 A CB -1.067 18.070 19.000 0.229 0.000 0.818 187 A HN 1.068 nan 8.150 nan 0.000 0.443 188 A N -0.172 122.782 122.820 0.224 0.000 1.908 188 A HA -0.193 4.128 4.320 0.001 0.000 0.218 188 A C 2.253 179.889 177.584 0.086 0.000 1.181 188 A CA 1.645 53.767 52.037 0.143 0.000 0.627 188 A CB -0.481 18.673 19.000 0.256 0.000 0.818 188 A HN 0.569 nan 8.150 nan 0.000 0.445 189 R N -0.640 119.924 120.500 0.107 0.000 2.075 189 R HA -0.045 4.296 4.340 0.001 0.000 0.232 189 R C 2.465 178.797 176.300 0.054 0.000 1.126 189 R CA 1.171 57.312 56.100 0.069 0.000 0.963 189 R CB -0.440 29.899 30.300 0.065 0.000 0.858 189 R HN 0.513 nan 8.270 nan 0.000 0.435 190 A N 0.291 123.166 122.820 0.092 0.000 1.930 190 A HA -0.156 4.165 4.320 0.001 0.000 0.217 190 A C 2.180 179.759 177.584 -0.008 0.000 1.175 190 A CA 1.690 53.764 52.037 0.062 0.000 0.627 190 A CB -0.516 18.576 19.000 0.153 0.000 0.815 190 A HN 0.293 nan 8.150 nan 0.000 0.443 191 S N -0.457 115.228 115.700 -0.026 0.000 2.368 191 S HA -0.086 4.384 4.470 0.001 0.000 0.225 191 S C 1.924 176.483 174.600 -0.068 0.000 1.030 191 S CA 1.389 59.540 58.200 -0.081 0.000 0.999 191 S CB -0.466 62.661 63.200 -0.121 0.000 0.844 191 S HN 0.488 nan 8.310 nan 0.000 0.459 192 L N 0.874 122.075 121.223 -0.037 0.000 2.131 192 L HA -0.052 4.289 4.340 0.001 0.000 0.210 192 L C 2.804 179.654 176.870 -0.034 0.000 1.092 192 L CA 1.239 56.059 54.840 -0.032 0.000 0.759 192 L CB -0.503 41.551 42.059 -0.008 0.000 0.903 192 L HN 0.423 nan 8.230 nan 0.000 0.435 193 A N -0.708 122.094 122.820 -0.030 0.000 2.016 193 A HA -0.114 4.206 4.320 0.001 0.000 0.217 193 A C 2.278 179.830 177.584 -0.054 0.000 1.162 193 A CA 1.722 53.739 52.037 -0.034 0.000 0.662 193 A CB -0.468 18.516 19.000 -0.027 0.000 0.812 193 A HN 0.482 nan 8.150 nan 0.000 0.450 194 T N -6.180 108.332 114.554 -0.070 0.000 2.969 194 T HA 0.427 4.777 4.350 0.001 0.000 0.250 194 T C 1.474 176.114 174.700 -0.099 0.000 1.021 194 T CA 1.130 63.176 62.100 -0.091 0.000 1.003 194 T CB 0.419 69.221 68.868 -0.111 0.000 1.040 194 T HN 1.605 nan 8.240 nan 0.000 0.492 195 G N 1.063 109.802 108.800 -0.102 0.000 2.199 195 G HA2 -0.236 3.724 3.960 0.001 0.000 0.254 195 G HA3 -0.236 3.724 3.960 0.001 0.000 0.254 195 G C 0.116 174.920 174.900 -0.160 0.000 0.982 195 G CA -0.011 45.019 45.100 -0.117 0.000 0.632 195 G HN 0.713 nan 8.290 nan 0.000 0.529 196 V N 3.663 123.474 119.914 -0.172 0.000 2.715 196 V HA 0.395 4.516 4.120 0.001 0.000 0.299 196 V C -0.783 175.144 176.094 -0.278 0.000 1.054 196 V CA -0.584 61.582 62.300 -0.223 0.000 1.077 196 V CB 1.284 32.989 31.823 -0.197 0.000 0.972 196 V HN 0.294 nan 8.190 nan 0.000 0.484 197 P HA 0.320 nan 4.420 nan 0.000 0.276 197 P C -1.032 176.057 177.300 -0.352 0.000 1.261 197 P CA -0.276 62.522 63.100 -0.505 0.000 0.800 197 P CB 1.158 32.140 31.700 -1.196 0.000 1.066 198 V N -0.039 119.733 119.914 -0.237 0.000 2.628 198 V HA 0.567 4.688 4.120 0.001 0.000 0.306 198 V C 0.403 176.525 176.094 0.046 0.000 1.045 198 V CA -0.233 61.972 62.300 -0.158 0.000 0.905 198 V CB 1.662 33.285 31.823 -0.333 0.000 0.997 198 V HN 0.664 nan 8.190 nan 0.000 0.436 199 T N 2.457 117.056 114.554 0.074 0.000 2.900 199 T HA 0.735 5.086 4.350 0.001 0.000 0.295 199 T C -0.460 174.316 174.700 0.126 0.000 1.044 199 T CA -0.074 62.115 62.100 0.149 0.000 0.995 199 T CB 1.660 70.634 68.868 0.177 0.000 1.072 199 T HN 1.079 nan 8.240 nan 0.000 0.473 200 T N 0.814 115.446 114.554 0.129 0.000 2.916 200 T HA 0.588 4.938 4.350 0.001 0.000 0.292 200 T C -0.875 173.881 174.700 0.094 0.000 1.064 200 T CA -0.769 61.433 62.100 0.171 0.000 1.011 200 T CB 1.396 70.394 68.868 0.217 0.000 1.152 200 T HN 0.790 nan 8.240 nan 0.000 0.510 201 H N 0.389 119.517 119.070 0.096 0.000 2.458 201 H HA 0.678 5.235 4.556 0.001 0.000 0.330 201 H C -0.104 175.314 175.328 0.150 0.000 1.111 201 H CA -0.224 55.868 56.048 0.074 0.000 1.245 201 H CB 1.312 31.345 29.762 0.451 0.000 1.456 201 H HN 1.051 nan 8.280 nan 0.000 0.488 202 T N 1.552 116.111 114.554 0.008 0.000 2.865 202 T HA 0.646 4.997 4.350 0.001 0.000 0.294 202 T C -0.624 174.115 174.700 0.065 0.000 1.119 202 T CA -0.809 61.374 62.100 0.139 0.000 1.007 202 T CB 1.367 70.293 68.868 0.096 0.000 1.225 202 T HN 0.729 nan 8.240 nan 0.000 0.515 203 A N 0.735 123.611 122.820 0.094 0.000 2.736 203 A HA 0.734 5.055 4.320 0.001 0.000 0.335 203 A C 1.568 179.147 177.584 -0.008 0.000 1.446 203 A CA -0.215 51.849 52.037 0.044 0.000 1.028 203 A CB -0.705 18.309 19.000 0.023 0.000 1.154 203 A HN 1.341 nan 8.150 nan 0.000 0.507 204 A N 1.730 124.559 122.820 0.014 0.000 1.978 204 A HA -0.130 4.190 4.320 0.001 0.000 0.220 204 A C 2.472 179.949 177.584 -0.178 0.000 1.170 204 A CA 2.375 54.415 52.037 0.004 0.000 0.636 204 A CB -0.807 18.276 19.000 0.137 0.000 0.810 204 A HN 1.223 nan 8.150 nan 0.000 0.448 205 S N 0.740 116.378 115.700 -0.104 0.000 2.365 205 S HA -0.332 4.138 4.470 0.001 0.000 0.221 205 S C 1.741 176.224 174.600 -0.195 0.000 1.037 205 S CA 1.626 59.752 58.200 -0.123 0.000 1.060 205 S CB -1.031 62.130 63.200 -0.065 0.000 0.974 205 S HN 0.747 nan 8.310 nan 0.000 0.427 206 Q N 1.143 120.851 119.800 -0.153 0.000 2.561 206 Q HA 0.119 4.459 4.340 0.001 0.000 0.217 206 Q C -0.012 175.842 176.000 -0.243 0.000 0.980 206 Q CA 0.381 56.090 55.803 -0.157 0.000 0.927 206 Q CB -0.455 28.228 28.738 -0.092 0.000 0.980 206 Q HN 0.495 nan 8.270 nan 0.000 0.525 207 R N -0.136 120.090 120.500 -0.457 0.000 3.776 207 R HA -0.197 4.143 4.340 0.001 0.000 0.312 207 R C -0.230 175.981 176.300 -0.149 0.000 1.181 207 R CA 0.575 56.257 56.100 -0.696 0.000 0.836 207 R CB -1.815 28.157 30.300 -0.548 0.000 1.324 207 R HN 0.321 nan 8.270 nan 0.000 0.501 208 D N 0.062 120.432 120.400 -0.051 0.000 2.203 208 D HA -0.153 4.488 4.640 0.001 0.000 0.199 208 D C 2.022 178.364 176.300 0.071 0.000 0.997 208 D CA 1.865 55.880 54.000 0.024 0.000 0.863 208 D CB -0.369 40.462 40.800 0.052 0.000 0.928 208 D HN 0.624 nan 8.370 nan 0.000 0.458 209 G N 0.570 109.495 108.800 0.208 0.000 2.469 209 G HA2 -0.301 3.659 3.960 0.001 0.000 0.220 209 G HA3 -0.301 3.659 3.960 0.001 0.000 0.220 209 G C 1.462 176.348 174.900 -0.025 0.000 1.136 209 G CA 0.815 45.970 45.100 0.092 0.000 0.759 209 G HN 0.351 nan 8.290 nan 0.000 0.562 210 E N -0.291 119.963 120.200 0.089 0.000 2.072 210 E HA -0.141 4.209 4.350 0.001 0.000 0.191 210 E C 2.414 178.986 176.600 -0.047 0.000 0.985 210 E CA 0.967 57.370 56.400 0.004 0.000 0.801 210 E CB -0.180 29.558 29.700 0.063 0.000 0.750 210 E HN 0.609 nan 8.360 nan 0.000 0.452 211 Q N 0.995 120.768 119.800 -0.045 0.000 2.119 211 Q HA -0.207 4.134 4.340 0.001 0.000 0.201 211 Q C 2.101 178.005 176.000 -0.160 0.000 0.972 211 Q CA 1.207 56.962 55.803 -0.079 0.000 0.847 211 Q CB 0.148 28.845 28.738 -0.068 0.000 0.903 211 Q HN 0.313 nan 8.270 nan 0.000 0.433 212 Q N -0.163 119.525 119.800 -0.186 0.000 2.050 212 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 212 Q C 2.147 177.887 176.000 -0.433 0.000 0.980 212 Q CA 1.411 56.984 55.803 -0.384 0.000 0.840 212 Q CB -0.216 28.405 28.738 -0.194 0.000 0.898 212 Q HN 0.489 nan 8.270 nan 0.000 0.424 213 A N 1.198 123.908 122.820 -0.184 0.000 1.940 213 A HA -0.193 4.128 4.320 0.001 0.000 0.219 213 A C 2.297 179.928 177.584 0.077 0.000 1.176 213 A CA 1.709 53.734 52.037 -0.021 0.000 0.631 213 A CB -0.843 17.977 19.000 -0.300 0.000 0.814 213 A HN 0.421 nan 8.150 nan 0.000 0.446 214 A N 0.037 122.838 122.820 -0.032 0.000 1.865 214 A HA -0.124 4.196 4.320 0.001 0.000 0.217 214 A C 2.132 179.706 177.584 -0.017 0.000 1.191 214 A CA 1.650 53.684 52.037 -0.005 0.000 0.623 214 A CB -0.653 18.331 19.000 -0.028 0.000 0.826 214 A HN 0.509 nan 8.150 nan 0.000 0.444 215 I N -1.581 118.912 120.570 -0.130 0.000 2.179 215 I HA -0.261 3.909 4.170 0.001 0.000 0.242 215 I C 2.363 178.462 176.117 -0.029 0.000 1.088 215 I CA 1.492 62.704 61.300 -0.147 0.000 1.357 215 I CB -0.474 37.355 38.000 -0.285 0.000 1.051 215 I HN 0.372 nan 8.210 nan 0.000 0.409 216 F N 1.012 121.003 119.950 0.069 0.000 2.134 216 F HA -0.212 4.316 4.527 0.001 0.000 0.299 216 F C 2.546 178.398 175.800 0.085 0.000 1.097 216 F CA 1.094 59.147 58.000 0.089 0.000 1.264 216 F CB -0.392 38.694 39.000 0.143 0.000 1.001 216 F HN 0.070 nan 8.300 nan 0.000 0.479 217 E N 0.049 120.419 120.200 0.283 0.000 2.150 217 E HA -0.172 4.178 4.350 0.001 0.000 0.193 217 E C 2.201 178.870 176.600 0.116 0.000 0.985 217 E CA 1.315 57.824 56.400 0.182 0.000 0.814 217 E CB -0.236 29.565 29.700 0.168 0.000 0.752 217 E HN 0.352 nan 8.360 nan 0.000 0.466 218 S N 0.772 116.530 115.700 0.097 0.000 2.474 218 S HA -0.101 4.369 4.470 0.001 0.000 0.235 218 S C 1.555 176.196 174.600 0.068 0.000 0.997 218 S CA 0.751 58.989 58.200 0.063 0.000 0.949 218 S CB 0.072 63.295 63.200 0.038 0.000 0.766 218 S HN 0.111 nan 8.310 nan 0.000 0.517 219 E N 0.461 120.720 120.200 0.099 0.000 2.481 219 E HA 0.238 4.588 4.350 0.001 0.000 0.198 219 E C 1.270 177.917 176.600 0.078 0.000 1.027 219 E CA 0.501 56.956 56.400 0.092 0.000 0.900 219 E CB 0.335 30.110 29.700 0.125 0.000 0.993 219 E HN 0.691 nan 8.360 nan 0.000 0.482 220 G N 1.882 110.729 108.800 0.078 0.000 2.143 220 G HA2 -0.276 3.685 3.960 0.001 0.000 0.249 220 G HA3 -0.276 3.685 3.960 0.001 0.000 0.249 220 G C 0.089 175.016 174.900 0.045 0.000 0.981 220 G CA 0.362 45.494 45.100 0.053 0.000 0.665 220 G HN 0.240 nan 8.290 nan 0.000 0.528 221 L N 2.175 123.441 121.223 0.071 0.000 2.416 221 L HA 0.650 4.991 4.340 0.001 0.000 0.272 221 L C 0.741 177.609 176.870 -0.003 0.000 1.161 221 L CA -0.039 54.819 54.840 0.030 0.000 0.845 221 L CB 1.020 43.103 42.059 0.039 0.000 1.119 221 L HN 0.169 nan 8.230 nan 0.000 0.464 222 S N 6.708 122.375 115.700 -0.055 0.000 2.548 222 S HA 0.245 4.716 4.470 0.001 0.000 0.277 222 S C -1.714 172.781 174.600 -0.176 0.000 1.315 222 S CA -0.735 57.407 58.200 -0.097 0.000 1.050 222 S CB 0.934 64.079 63.200 -0.091 0.000 0.918 222 S HN 0.589 nan 8.310 nan 0.000 0.497 223 P HA -0.124 nan 4.420 nan 0.000 0.219 223 P C 1.442 178.473 177.300 -0.448 0.000 1.146 223 P CA 1.003 63.630 63.100 -0.788 0.000 0.808 223 P CB -0.121 30.701 31.700 -1.463 0.000 0.779 224 S N -1.444 114.108 115.700 -0.247 0.000 2.507 224 S HA -0.054 4.416 4.470 0.001 0.000 0.235 224 S C 1.700 176.308 174.600 0.013 0.000 0.988 224 S CA 0.608 58.750 58.200 -0.096 0.000 0.944 224 S CB -0.657 62.501 63.200 -0.071 0.000 0.762 224 S HN 0.032 nan 8.310 nan 0.000 0.526 225 R N 0.688 121.164 120.500 -0.040 0.000 2.317 225 R HA 0.377 4.717 4.340 0.001 0.000 0.208 225 R C -0.455 175.873 176.300 0.047 0.000 0.914 225 R CA 0.090 56.164 56.100 -0.043 0.000 1.060 225 R CB 0.178 30.398 30.300 -0.133 0.000 1.015 225 R HN 0.355 nan 8.270 nan 0.000 0.498 226 V N 0.359 120.353 119.914 0.135 0.000 2.656 226 V HA 0.249 4.370 4.120 0.001 0.000 0.307 226 V C -0.424 175.815 176.094 0.242 0.000 1.051 226 V CA -1.226 61.184 62.300 0.183 0.000 0.893 226 V CB 2.506 34.407 31.823 0.130 0.000 0.999 226 V HN 0.095 nan 8.190 nan 0.000 0.426 227 C N 6.878 126.282 119.300 0.174 0.000 2.298 227 C HA 0.598 5.059 4.460 0.001 0.000 0.323 227 C C -0.203 174.789 174.990 0.005 0.000 1.284 227 C CA -0.624 58.346 59.018 -0.079 0.000 1.577 227 C CB -0.454 27.090 27.740 -0.325 0.000 2.249 227 C HN 0.702 nan 8.230 nan 0.000 0.497 228 I N 6.658 127.209 120.570 -0.032 0.000 2.291 228 I HA 0.291 4.462 4.170 0.001 0.000 0.292 228 I C 1.210 177.270 176.117 -0.094 0.000 1.064 228 I CA 0.480 61.753 61.300 -0.045 0.000 1.269 228 I CB 0.086 38.013 38.000 -0.122 0.000 1.418 228 I HN 0.899 nan 8.210 nan 0.000 0.485 229 G N 4.683 113.411 108.800 -0.120 0.000 2.537 229 G HA2 0.293 4.253 3.960 0.001 0.000 0.273 229 G HA3 0.293 4.253 3.960 0.001 0.000 0.273 229 G C 0.256 174.971 174.900 -0.307 0.000 1.189 229 G CA -0.118 44.816 45.100 -0.276 0.000 0.881 229 G HN 0.789 nan 8.290 nan 0.000 0.535 230 H N -0.569 118.293 119.070 -0.347 0.000 2.899 230 H HA -0.158 4.398 4.556 0.001 0.000 0.282 230 H C 1.910 177.128 175.328 -0.183 0.000 1.198 230 H CA 0.446 56.217 56.048 -0.462 0.000 1.140 230 H CB -1.811 27.631 29.762 -0.534 0.000 1.317 230 H HN 0.373 nan 8.280 nan 0.000 0.375 231 S N 0.134 115.822 115.700 -0.021 0.000 2.474 231 S HA -0.091 4.379 4.470 0.001 0.000 0.235 231 S C 1.662 176.298 174.600 0.060 0.000 0.997 231 S CA 0.978 59.200 58.200 0.037 0.000 0.949 231 S CB 0.065 63.242 63.200 -0.039 0.000 0.766 231 S HN 0.703 nan 8.310 nan 0.000 0.517 232 D N 0.442 120.865 120.400 0.040 0.000 2.349 232 D HA -0.022 4.618 4.640 0.001 0.000 0.224 232 D C 0.254 176.605 176.300 0.085 0.000 1.029 232 D CA 0.225 54.265 54.000 0.067 0.000 0.879 232 D CB -0.185 40.660 40.800 0.075 0.000 0.906 232 D HN 0.113 nan 8.370 nan 0.000 0.528 233 D N 0.278 120.732 120.400 0.089 0.000 2.348 233 D HA -0.021 4.619 4.640 0.001 0.000 0.216 233 D C 0.417 176.756 176.300 0.064 0.000 0.970 233 D CA 0.802 54.856 54.000 0.089 0.000 0.889 233 D CB 0.336 41.192 40.800 0.093 0.000 0.912 233 D HN 0.203 nan 8.370 nan 0.000 0.524 234 T N -1.121 113.478 114.554 0.076 0.000 2.907 234 T HA 0.176 4.526 4.350 0.001 0.000 0.292 234 T C -0.229 174.515 174.700 0.073 0.000 1.043 234 T CA -0.816 61.320 62.100 0.060 0.000 1.003 234 T CB 1.527 70.431 68.868 0.061 0.000 1.084 234 T HN -0.271 nan 8.240 nan 0.000 0.483 235 D N 1.453 121.886 120.400 0.054 0.000 2.339 235 D HA 0.046 4.686 4.640 0.001 0.000 0.217 235 D C 0.025 176.365 176.300 0.066 0.000 1.050 235 D CA 0.035 54.069 54.000 0.055 0.000 0.856 235 D CB 0.258 41.080 40.800 0.038 0.000 0.922 235 D HN 0.545 nan 8.370 nan 0.000 0.518 236 D N 1.700 122.148 120.400 0.081 0.000 2.479 236 D HA -0.081 4.560 4.640 0.001 0.000 0.253 236 D C 1.357 177.736 176.300 0.131 0.000 1.278 236 D CA -0.123 53.937 54.000 0.101 0.000 1.145 236 D CB 0.201 41.059 40.800 0.098 0.000 1.118 236 D HN 0.006 nan 8.370 nan 0.000 0.513 237 L N 2.814 124.091 121.223 0.090 0.000 2.191 237 L HA -0.157 4.184 4.340 0.001 0.000 0.212 237 L C 2.091 179.011 176.870 0.083 0.000 1.103 237 L CA 1.438 56.327 54.840 0.082 0.000 0.769 237 L CB -0.343 41.757 42.059 0.067 0.000 0.908 237 L HN 0.212 nan 8.230 nan 0.000 0.438 238 S N -1.421 114.334 115.700 0.092 0.000 2.359 238 S HA -0.272 4.199 4.470 0.001 0.000 0.224 238 S C 1.808 176.474 174.600 0.111 0.000 1.035 238 S CA 1.658 59.911 58.200 0.088 0.000 1.018 238 S CB -0.614 62.634 63.200 0.079 0.000 0.876 238 S HN 0.705 nan 8.310 nan 0.000 0.448 239 Y N 2.253 122.547 120.300 -0.010 0.000 2.070 239 Y HA -0.226 4.325 4.550 0.001 0.000 0.280 239 Y C 1.983 177.859 175.900 -0.041 0.000 1.148 239 Y CA 1.612 59.696 58.100 -0.026 0.000 1.125 239 Y CB -0.419 38.026 38.460 -0.026 0.000 0.975 239 Y HN 0.140 nan 8.280 nan 0.000 0.492 240 L N 0.107 121.236 121.223 -0.157 0.000 1.990 240 L HA -0.286 4.054 4.340 0.001 0.000 0.213 240 L C 2.684 179.405 176.870 -0.248 0.000 1.072 240 L CA 2.307 56.974 54.840 -0.287 0.000 0.755 240 L CB -1.463 40.527 42.059 -0.115 0.000 0.889 240 L HN 0.446 nan 8.230 nan 0.000 0.432 241 T N -2.548 111.930 114.554 -0.128 0.000 2.915 241 T HA -0.057 4.294 4.350 0.001 0.000 0.269 241 T C 1.900 176.469 174.700 -0.219 0.000 1.071 241 T CA 0.854 62.854 62.100 -0.167 0.000 1.132 241 T CB -0.314 68.593 68.868 0.065 0.000 0.878 241 T HN 0.340 nan 8.240 nan 0.000 0.479 242 A N 1.423 124.171 122.820 -0.120 0.000 1.930 242 A HA 0.240 4.560 4.320 0.001 0.000 0.217 242 A C 2.381 179.899 177.584 -0.110 0.000 1.175 242 A CA 0.954 52.946 52.037 -0.076 0.000 0.627 242 A CB -0.777 18.214 19.000 -0.015 0.000 0.815 242 A HN 0.522 nan 8.150 nan 0.000 0.443 243 L N -0.885 120.227 121.223 -0.185 0.000 2.072 243 L HA -0.139 4.202 4.340 0.001 0.000 0.205 243 L C 3.097 179.912 176.870 -0.092 0.000 1.079 243 L CA 0.961 55.720 54.840 -0.134 0.000 0.752 243 L CB -0.482 41.386 42.059 -0.319 0.000 0.906 243 L HN 0.423 nan 8.230 nan 0.000 0.436 244 A N 0.063 122.683 122.820 -0.333 0.000 1.933 244 A HA -0.193 4.128 4.320 0.001 0.000 0.218 244 A C 2.486 179.766 177.584 -0.506 0.000 1.175 244 A CA 1.713 53.436 52.037 -0.522 0.000 0.628 244 A CB -0.704 17.692 19.000 -1.006 0.000 0.814 244 A HN 0.407 nan 8.150 nan 0.000 0.444 245 A N -0.314 122.221 122.820 -0.474 0.000 2.019 245 A HA -0.136 4.184 4.320 0.001 0.000 0.219 245 A C 2.132 179.706 177.584 -0.016 0.000 1.164 245 A CA 1.453 53.428 52.037 -0.104 0.000 0.644 245 A CB -0.389 18.627 19.000 0.026 0.000 0.805 245 A HN 0.558 nan 8.150 nan 0.000 0.449 246 R N -1.687 118.808 120.500 -0.009 0.000 2.307 246 R HA 0.192 4.532 4.340 0.001 0.000 0.199 246 R C 1.346 177.585 176.300 -0.103 0.000 1.000 246 R CA 0.624 56.739 56.100 0.025 0.000 1.023 246 R CB -0.016 30.387 30.300 0.172 0.000 0.908 246 R HN 0.673 nan 8.270 nan 0.000 0.473 247 G N -0.928 107.799 108.800 -0.121 0.000 2.184 247 G HA2 -0.263 3.698 3.960 0.001 0.000 0.206 247 G HA3 -0.263 3.698 3.960 0.001 0.000 0.206 247 G C -0.162 174.569 174.900 -0.281 0.000 0.995 247 G CA -0.613 44.367 45.100 -0.200 0.000 0.651 247 G HN 0.209 nan 8.290 nan 0.000 0.511 248 Y N 0.013 120.262 120.300 -0.085 0.000 2.426 248 Y HA 0.546 5.097 4.550 0.001 0.000 0.344 248 Y C 1.174 176.996 175.900 -0.131 0.000 1.256 248 Y CA -0.297 57.749 58.100 -0.090 0.000 1.451 248 Y CB 0.498 38.900 38.460 -0.098 0.000 1.342 248 Y HN 0.134 nan 8.280 nan 0.000 0.600 249 L N 3.448 124.688 121.223 0.027 0.000 2.334 249 L HA 0.275 4.616 4.340 0.001 0.000 0.277 249 L C -0.677 176.118 176.870 -0.125 0.000 1.075 249 L CA -0.117 54.646 54.840 -0.129 0.000 0.804 249 L CB 0.604 42.453 42.059 -0.350 0.000 1.174 249 L HN 0.379 nan 8.230 nan 0.000 0.438 250 I N 2.466 122.947 120.570 -0.148 0.000 2.330 250 I HA 0.327 4.498 4.170 0.001 0.000 0.289 250 I C 0.657 176.687 176.117 -0.145 0.000 1.001 250 I CA -0.384 60.830 61.300 -0.143 0.000 1.193 250 I CB 1.102 39.022 38.000 -0.133 0.000 1.345 250 I HN 0.608 nan 8.210 nan 0.000 0.461 251 G N 7.401 116.114 108.800 -0.146 0.000 2.393 251 G HA2 0.520 4.480 3.960 0.001 0.000 0.311 251 G HA3 0.520 4.480 3.960 0.001 0.000 0.311 251 G C -0.174 174.665 174.900 -0.102 0.000 1.067 251 G CA -0.412 44.606 45.100 -0.137 0.000 1.000 251 G HN 0.547 nan 8.290 nan 0.000 0.422 252 L N 3.371 124.557 121.223 -0.062 0.000 2.407 252 L HA 0.257 4.598 4.340 0.001 0.000 0.261 252 L C 0.054 176.922 176.870 -0.003 0.000 1.108 252 L CA -0.582 54.247 54.840 -0.017 0.000 0.995 252 L CB 0.746 42.818 42.059 0.021 0.000 1.349 252 L HN 0.685 nan 8.230 nan 0.000 0.423 253 D N -2.490 117.872 120.400 -0.064 0.000 2.440 253 D HA -0.014 4.626 4.640 0.001 0.000 0.216 253 D C 0.939 177.219 176.300 -0.034 0.000 1.150 253 D CA 0.013 53.978 54.000 -0.057 0.000 0.832 253 D CB 0.087 40.786 40.800 -0.168 0.000 0.992 253 D HN 0.413 nan 8.370 nan 0.000 0.502 254 H N 0.306 119.309 119.070 -0.111 0.000 2.512 254 H HA 0.214 4.771 4.556 0.001 0.000 0.276 254 H C 1.201 176.552 175.328 0.038 0.000 1.126 254 H CA -0.505 55.360 56.048 -0.304 0.000 1.060 254 H CB 0.675 30.177 29.762 -0.434 0.000 1.646 254 H HN -0.029 nan 8.280 nan 0.000 0.571 255 I N 1.893 122.616 120.570 0.254 0.000 2.113 255 I HA -0.223 3.947 4.170 0.001 0.000 0.242 255 I C -0.653 175.640 176.117 0.294 0.000 1.057 255 I CA 1.438 62.920 61.300 0.303 0.000 1.314 255 I CB -2.203 36.000 38.000 0.339 0.000 1.022 255 I HN 0.308 nan 8.210 nan 0.000 0.408 256 P HA -0.065 nan 4.420 nan 0.000 0.249 256 P C 0.214 177.486 177.300 -0.046 0.000 1.229 256 P CA 0.609 63.498 63.100 -0.352 0.000 0.788 256 P CB -0.505 30.586 31.700 -1.015 0.000 1.072 257 H N 0.467 119.541 119.070 0.007 0.000 2.944 257 H HA 0.349 4.905 4.556 0.001 0.000 0.278 257 H C 0.055 175.378 175.328 -0.008 0.000 1.083 257 H CA 0.190 56.232 56.048 -0.011 0.000 1.479 257 H CB 0.470 30.123 29.762 -0.181 0.000 1.486 257 H HN 0.036 nan 8.280 nan 0.000 0.493 258 S N 1.919 117.658 115.700 0.066 0.000 2.543 258 S HA 0.430 4.900 4.470 0.001 0.000 0.273 258 S C -0.102 174.519 174.600 0.035 0.000 1.152 258 S CA -0.340 57.895 58.200 0.058 0.000 0.910 258 S CB 1.221 64.470 63.200 0.081 0.000 1.105 258 S HN 0.700 nan 8.310 nan 0.000 0.465 259 A N 4.607 127.446 122.820 0.032 0.000 2.460 259 A HA 0.456 4.776 4.320 0.001 0.000 0.258 259 A C 0.398 177.998 177.584 0.028 0.000 1.300 259 A CA -0.279 51.774 52.037 0.028 0.000 0.913 259 A CB -0.424 18.592 19.000 0.027 0.000 1.031 259 A HN 0.781 nan 8.150 nan 0.000 0.512 260 I N 0.417 121.006 120.570 0.033 0.000 2.668 260 I HA 0.227 4.397 4.170 0.001 0.000 0.285 260 I C 1.521 177.656 176.117 0.031 0.000 1.168 260 I CA 1.575 62.893 61.300 0.030 0.000 1.424 260 I CB 0.535 38.554 38.000 0.033 0.000 1.377 260 I HN 0.495 nan 8.210 nan 0.000 0.560 261 G N 5.318 114.133 108.800 0.025 0.000 2.195 261 G HA2 -0.230 3.731 3.960 0.001 0.000 0.224 261 G HA3 -0.230 3.731 3.960 0.001 0.000 0.224 261 G C 0.105 175.017 174.900 0.021 0.000 0.990 261 G CA -0.252 44.862 45.100 0.024 0.000 0.639 261 G HN 0.473 nan 8.290 nan 0.000 0.514 262 L N 0.406 121.641 121.223 0.020 0.000 3.366 262 L HA 0.496 4.837 4.340 0.001 0.000 0.304 262 L C 1.269 178.149 176.870 0.016 0.000 1.292 262 L CA -0.017 54.833 54.840 0.018 0.000 1.012 262 L CB 0.759 42.829 42.059 0.020 0.000 1.414 262 L HN 0.070 nan 8.230 nan 0.000 0.603 263 E N 1.015 121.224 120.200 0.016 0.000 2.273 263 E HA -0.266 4.085 4.350 0.001 0.000 0.198 263 E C 1.262 177.869 176.600 0.011 0.000 1.002 263 E CA 1.705 58.113 56.400 0.014 0.000 0.828 263 E CB -0.145 29.562 29.700 0.012 0.000 0.747 263 E HN 0.753 nan 8.360 nan 0.000 0.491 264 D N -0.681 119.724 120.400 0.009 0.000 2.355 264 D HA -0.102 4.539 4.640 0.001 0.000 0.218 264 D C 0.394 176.696 176.300 0.004 0.000 1.004 264 D CA 0.131 54.134 54.000 0.005 0.000 0.880 264 D CB 0.021 40.823 40.800 0.004 0.000 0.911 264 D HN -0.089 nan 8.370 nan 0.000 0.528 265 N N 0.392 119.097 118.700 0.007 0.000 2.546 265 N HA 0.308 5.048 4.740 0.001 0.000 0.238 265 N C 0.756 176.273 175.510 0.013 0.000 0.984 265 N CA -0.174 52.879 53.050 0.005 0.000 0.935 265 N CB 1.335 39.826 38.487 0.008 0.000 1.122 265 N HN 0.090 nan 8.380 nan 0.000 0.510 266 A N 3.000 125.824 122.820 0.006 0.000 1.877 266 A HA -0.181 4.139 4.320 0.001 0.000 0.216 266 A C 2.126 179.732 177.584 0.037 0.000 1.186 266 A CA 2.226 54.272 52.037 0.015 0.000 0.620 266 A CB -0.878 18.124 19.000 0.004 0.000 0.822 266 A HN 0.765 nan 8.150 nan 0.000 0.443 267 S N 0.301 116.013 115.700 0.019 0.000 2.383 267 S HA -0.024 4.446 4.470 0.001 0.000 0.229 267 S C 2.084 176.800 174.600 0.193 0.000 1.030 267 S CA 1.486 59.725 58.200 0.065 0.000 1.002 267 S CB -0.748 62.375 63.200 -0.129 0.000 0.829 267 S HN 0.936 nan 8.310 nan 0.000 0.467 268 A N 1.999 124.885 122.820 0.110 0.000 1.898 268 A HA 0.034 4.355 4.320 0.001 0.000 0.216 268 A C 2.445 180.074 177.584 0.075 0.000 1.181 268 A CA 1.708 53.808 52.037 0.105 0.000 0.620 268 A CB -1.102 17.931 19.000 0.055 0.000 0.819 268 A HN 0.604 nan 8.150 nan 0.000 0.442 269 S N 0.556 116.290 115.700 0.058 0.000 2.383 269 S HA 0.000 4.471 4.470 0.001 0.000 0.227 269 S C 2.217 176.845 174.600 0.047 0.000 1.026 269 S CA 1.052 59.278 58.200 0.042 0.000 0.981 269 S CB -0.493 62.726 63.200 0.032 0.000 0.818 269 S HN 0.784 nan 8.310 nan 0.000 0.472 270 A N 1.531 124.394 122.820 0.072 0.000 1.902 270 A HA -0.005 4.316 4.320 0.001 0.000 0.217 270 A C 2.154 179.772 177.584 0.056 0.000 1.181 270 A CA 1.404 53.487 52.037 0.076 0.000 0.623 270 A CB -0.611 18.464 19.000 0.125 0.000 0.818 270 A HN 0.422 nan 8.150 nan 0.000 0.443 271 L N -0.773 120.483 121.223 0.056 0.000 2.095 271 L HA 0.106 4.447 4.340 0.001 0.000 0.204 271 L C 2.012 178.855 176.870 -0.045 0.000 1.080 271 L CA 1.540 56.347 54.840 -0.055 0.000 0.759 271 L CB -0.243 41.691 42.059 -0.210 0.000 0.914 271 L HN 0.355 nan 8.230 nan 0.000 0.439 272 L N -0.773 120.445 121.223 -0.010 0.000 2.416 272 L HA 0.416 4.756 4.340 0.001 0.000 0.216 272 L C 1.110 177.984 176.870 0.008 0.000 1.098 272 L CA 0.233 55.072 54.840 -0.002 0.000 0.840 272 L CB -0.800 41.259 42.059 0.001 0.000 0.981 272 L HN 0.419 nan 8.230 nan 0.000 0.462 273 G N 1.356 110.164 108.800 0.012 0.000 2.712 273 G HA2 -0.224 3.736 3.960 0.001 0.000 0.683 273 G HA3 -0.224 3.736 3.960 0.001 0.000 0.683 273 G C -0.016 174.898 174.900 0.024 0.000 1.320 273 G CA -0.144 44.967 45.100 0.017 0.000 0.847 273 G HN 0.327 nan 8.290 nan 0.000 0.553 274 I N -2.637 117.946 120.570 0.022 0.000 4.009 274 I HA 0.510 4.681 4.170 0.001 0.000 0.331 274 I C 0.772 176.899 176.117 0.018 0.000 1.462 274 I CA -0.606 60.706 61.300 0.020 0.000 1.117 274 I CB 0.201 38.211 38.000 0.015 0.000 1.091 274 I HN 0.324 nan 8.210 nan 0.000 0.410 275 R N 1.984 122.498 120.500 0.023 0.000 2.457 275 R HA 0.442 4.783 4.340 0.001 0.000 0.284 275 R C 0.512 176.824 176.300 0.020 0.000 1.024 275 R CA -0.185 55.925 56.100 0.017 0.000 1.025 275 R CB 1.445 31.760 30.300 0.024 0.000 1.063 275 R HN 0.460 nan 8.270 nan 0.000 0.493 276 S N 2.263 117.952 115.700 -0.017 0.000 2.632 276 S HA 0.064 4.535 4.470 0.001 0.000 0.267 276 S C 1.326 175.907 174.600 -0.033 0.000 1.276 276 S CA -0.918 57.254 58.200 -0.047 0.000 0.998 276 S CB 0.533 63.635 63.200 -0.163 0.000 0.953 276 S HN 0.911 nan 8.310 nan 0.000 0.547 277 W N 1.086 122.375 121.300 -0.018 0.000 2.374 277 W HA -0.143 4.517 4.660 0.001 0.000 0.288 277 W C 1.017 177.476 176.519 -0.101 0.000 1.218 277 W CA 1.154 58.496 57.345 -0.006 0.000 1.245 277 W CB -1.142 28.366 29.460 0.080 0.000 1.126 277 W HN 0.657 nan 8.180 nan 0.000 0.545 278 Q N 1.170 120.347 119.800 -1.038 0.000 2.119 278 Q HA -0.099 4.242 4.340 0.001 0.000 0.201 278 Q C 2.373 178.152 176.000 -0.368 0.000 0.972 278 Q CA 3.070 58.199 55.803 -1.124 0.000 0.847 278 Q CB -0.907 27.158 28.738 -1.122 0.000 0.903 278 Q HN 0.137 nan 8.270 nan 0.000 0.433 279 T N 0.486 114.913 114.554 -0.211 0.000 2.684 279 T HA -0.159 4.191 4.350 0.001 0.000 0.267 279 T C 1.689 176.393 174.700 0.006 0.000 1.036 279 T CA 1.475 63.539 62.100 -0.060 0.000 1.148 279 T CB -0.147 68.697 68.868 -0.040 0.000 0.863 279 T HN 0.241 nan 8.240 nan 0.000 0.436 280 R N 0.971 121.488 120.500 0.028 0.000 2.073 280 R HA 0.052 4.393 4.340 0.001 0.000 0.234 280 R C 2.824 179.193 176.300 0.115 0.000 1.134 280 R CA 1.288 57.442 56.100 0.089 0.000 0.952 280 R CB -0.507 29.876 30.300 0.139 0.000 0.850 280 R HN 0.349 nan 8.270 nan 0.000 0.433 281 A N 1.208 124.099 122.820 0.119 0.000 1.972 281 A HA -0.114 4.207 4.320 0.001 0.000 0.219 281 A C 2.133 179.851 177.584 0.224 0.000 1.169 281 A CA 1.098 53.245 52.037 0.183 0.000 0.635 281 A CB -0.513 18.586 19.000 0.166 0.000 0.810 281 A HN 0.197 nan 8.150 nan 0.000 0.446 282 L N -0.604 120.735 121.223 0.194 0.000 2.265 282 L HA -0.171 4.170 4.340 0.001 0.000 0.215 282 L C 2.302 179.251 176.870 0.133 0.000 1.117 282 L CA 0.650 55.611 54.840 0.202 0.000 0.782 282 L CB -0.439 41.714 42.059 0.156 0.000 0.914 282 L HN 0.399 nan 8.230 nan 0.000 0.441 283 L N -0.583 120.706 121.223 0.111 0.000 2.131 283 L HA -0.231 4.110 4.340 0.001 0.000 0.210 283 L C 2.383 179.305 176.870 0.087 0.000 1.092 283 L CA 1.198 56.090 54.840 0.088 0.000 0.759 283 L CB -0.384 41.721 42.059 0.077 0.000 0.903 283 L HN 0.252 nan 8.230 nan 0.000 0.435 284 I N -0.139 120.494 120.570 0.105 0.000 2.179 284 I HA -0.324 3.846 4.170 0.001 0.000 0.242 284 I C 2.697 178.864 176.117 0.083 0.000 1.088 284 I CA 1.436 62.792 61.300 0.092 0.000 1.357 284 I CB -0.404 37.663 38.000 0.111 0.000 1.051 284 I HN 0.231 nan 8.210 nan 0.000 0.409 285 K N 1.479 121.936 120.400 0.096 0.000 2.057 285 K HA -0.197 4.123 4.320 0.001 0.000 0.207 285 K C 2.242 178.873 176.600 0.053 0.000 1.049 285 K CA 1.476 57.802 56.287 0.065 0.000 0.931 285 K CB -0.123 32.413 32.500 0.060 0.000 0.714 285 K HN 0.295 nan 8.250 nan 0.000 0.440 286 A N 1.681 124.539 122.820 0.064 0.000 1.865 286 A HA -0.179 4.142 4.320 0.001 0.000 0.217 286 A C 2.158 179.785 177.584 0.072 0.000 1.191 286 A CA 1.555 53.628 52.037 0.060 0.000 0.623 286 A CB -0.793 18.245 19.000 0.065 0.000 0.826 286 A HN 0.348 nan 8.150 nan 0.000 0.444 287 L N -0.748 120.528 121.223 0.089 0.000 2.083 287 L HA -0.190 4.151 4.340 0.001 0.000 0.209 287 L C 2.544 179.482 176.870 0.113 0.000 1.083 287 L CA 1.240 56.162 54.840 0.136 0.000 0.752 287 L CB -0.511 41.614 42.059 0.111 0.000 0.899 287 L HN 0.423 nan 8.230 nan 0.000 0.433 288 I N -0.240 120.367 120.570 0.062 0.000 2.202 288 I HA -0.301 3.870 4.170 0.001 0.000 0.242 288 I C 2.110 178.220 176.117 -0.011 0.000 1.091 288 I CA 1.234 62.548 61.300 0.024 0.000 1.368 288 I CB -0.336 37.675 38.000 0.018 0.000 1.058 288 I HN 0.255 nan 8.210 nan 0.000 0.410 289 D N 0.421 120.822 120.400 0.001 0.000 2.149 289 D HA -0.191 4.450 4.640 0.001 0.000 0.198 289 D C 2.067 178.340 176.300 -0.046 0.000 0.990 289 D CA 1.055 55.044 54.000 -0.018 0.000 0.839 289 D CB -0.237 40.563 40.800 0.000 0.000 0.948 289 D HN 0.282 nan 8.370 nan 0.000 0.460 290 Q N -0.658 119.120 119.800 -0.035 0.000 2.482 290 Q HA 0.123 4.464 4.340 0.001 0.000 0.209 290 Q C 1.258 177.038 176.000 -0.365 0.000 0.961 290 Q CA 0.706 56.456 55.803 -0.089 0.000 0.945 290 Q CB 0.478 29.270 28.738 0.090 0.000 1.012 290 Q HN 0.403 nan 8.270 nan 0.000 0.515 291 G N 0.083 108.688 108.800 -0.325 0.000 2.144 291 G HA2 -0.263 3.698 3.960 0.001 0.000 0.218 291 G HA3 -0.263 3.698 3.960 0.001 0.000 0.218 291 G C -0.115 174.471 174.900 -0.523 0.000 0.988 291 G CA -0.104 44.733 45.100 -0.438 0.000 0.659 291 G HN 0.340 nan 8.290 nan 0.000 0.522 292 Y N 0.634 120.926 120.300 -0.014 0.000 2.774 292 Y HA 0.388 4.938 4.550 0.001 0.000 0.305 292 Y C 2.331 178.216 175.900 -0.025 0.000 1.067 292 Y CA 0.038 58.126 58.100 -0.020 0.000 1.304 292 Y CB -0.401 38.046 38.460 -0.021 0.000 1.209 292 Y HN 0.465 nan 8.280 nan 0.000 0.543 293 M N -1.239 118.397 119.600 0.059 0.000 2.202 293 M HA -0.171 4.310 4.480 0.001 0.000 0.262 293 M C 1.161 177.476 176.300 0.025 0.000 1.063 293 M CA 1.881 57.201 55.300 0.033 0.000 1.097 293 M CB -0.325 32.277 32.600 0.003 0.000 1.382 293 M HN 0.083 nan 8.290 nan 0.000 0.413 294 K N 0.399 120.819 120.400 0.034 0.000 2.504 294 K HA -0.010 4.310 4.320 0.001 0.000 0.195 294 K C 1.093 177.699 176.600 0.009 0.000 1.036 294 K CA 0.597 56.894 56.287 0.017 0.000 0.984 294 K CB 0.095 32.605 32.500 0.017 0.000 0.788 294 K HN 0.556 nan 8.250 nan 0.000 0.488 295 Q N 0.089 119.906 119.800 0.028 0.000 2.179 295 Q HA 0.239 4.580 4.340 0.001 0.000 0.213 295 Q C 0.093 176.056 176.000 -0.062 0.000 0.833 295 Q CA 0.122 55.911 55.803 -0.022 0.000 0.990 295 Q CB 0.667 29.392 28.738 -0.021 0.000 1.132 295 Q HN 0.269 nan 8.270 nan 0.000 0.493 296 I N 1.403 121.945 120.570 -0.047 0.000 2.392 296 I HA 0.342 4.513 4.170 0.001 0.000 0.295 296 I C -0.368 175.685 176.117 -0.106 0.000 0.985 296 I CA -0.701 60.560 61.300 -0.065 0.000 1.221 296 I CB 1.320 39.307 38.000 -0.021 0.000 1.366 296 I HN -0.112 nan 8.210 nan 0.000 0.467 297 L N 6.441 127.585 121.223 -0.132 0.000 2.385 297 L HA 0.604 4.944 4.340 0.001 0.000 0.273 297 L C -0.844 175.976 176.870 -0.083 0.000 0.990 297 L CA -0.826 53.927 54.840 -0.145 0.000 0.821 297 L CB 2.146 44.057 42.059 -0.246 0.000 1.279 297 L HN 0.256 nan 8.230 nan 0.000 0.412 298 V N 1.748 121.631 119.914 -0.052 0.000 2.581 298 V HA 0.735 4.856 4.120 0.001 0.000 0.303 298 V C -0.141 175.978 176.094 0.042 0.000 1.041 298 V CA -0.200 62.102 62.300 0.003 0.000 0.907 298 V CB 2.014 33.849 31.823 0.019 0.000 0.994 298 V HN 0.860 nan 8.190 nan 0.000 0.442 299 S N 1.602 117.353 115.700 0.085 0.000 2.672 299 S HA 0.444 4.914 4.470 0.001 0.000 0.271 299 S C 0.083 174.794 174.600 0.185 0.000 1.171 299 S CA -0.601 57.682 58.200 0.138 0.000 0.817 299 S CB 1.833 65.120 63.200 0.146 0.000 1.150 299 S HN 0.786 nan 8.310 nan 0.000 0.478 300 N N 0.787 119.632 118.700 0.242 0.000 2.332 300 N HA 0.088 4.829 4.740 0.001 0.000 0.190 300 N C -0.732 175.087 175.510 0.514 0.000 1.117 300 N CA 0.315 53.566 53.050 0.334 0.000 0.883 300 N CB 0.104 38.758 38.487 0.277 0.000 1.089 300 N HN 0.754 nan 8.380 nan 0.000 0.480 301 D N 0.231 120.884 120.400 0.421 0.000 2.689 301 D HA -0.186 4.455 4.640 0.001 0.000 0.237 301 D C -0.566 176.066 176.300 0.552 0.000 1.148 301 D CA 0.406 54.700 54.000 0.489 0.000 0.656 301 D CB -1.150 39.820 40.800 0.283 0.000 1.050 301 D HN 0.369 nan 8.370 nan 0.000 0.426 302 W N -0.418 120.965 121.300 0.138 0.000 2.353 302 W HA 0.565 5.226 4.660 0.001 0.000 0.377 302 W C -0.107 176.308 176.519 -0.174 0.000 1.375 302 W CA -0.688 56.624 57.345 -0.055 0.000 1.503 302 W CB 0.725 30.096 29.460 -0.149 0.000 1.345 302 W HN 0.058 nan 8.180 nan 0.000 0.683 303 L N -0.435 120.383 121.223 -0.675 0.000 2.838 303 L HA 0.374 4.715 4.340 0.001 0.000 0.266 303 L C -0.544 175.884 176.870 -0.737 0.000 1.040 303 L CA -0.640 53.827 54.840 -0.622 0.000 0.906 303 L CB 0.486 42.248 42.059 -0.496 0.000 1.501 303 L HN 0.289 nan 8.230 nan 0.000 0.407 304 F N -0.444 119.500 119.950 -0.010 0.000 2.717 304 F HA 0.689 5.217 4.527 0.001 0.000 0.297 304 F C 1.139 176.971 175.800 0.052 0.000 1.113 304 F CA -0.062 57.963 58.000 0.041 0.000 1.319 304 F CB 0.914 39.944 39.000 0.049 0.000 1.097 304 F HN 0.640 nan 8.300 nan 0.000 0.595 305 G N -0.368 108.525 108.800 0.155 0.000 2.706 305 G HA2 0.505 4.465 3.960 0.001 0.000 0.297 305 G HA3 0.505 4.465 3.960 0.001 0.000 0.297 305 G C -2.158 172.931 174.900 0.316 0.000 1.403 305 G CA -0.385 44.883 45.100 0.280 0.000 0.954 305 G HN -0.167 nan 8.290 nan 0.000 0.500 306 F N 2.624 122.750 119.950 0.292 0.000 3.051 306 F HA 0.429 4.957 4.527 0.001 0.000 0.363 306 F C 0.715 176.625 175.800 0.183 0.000 1.257 306 F CA -1.633 56.437 58.000 0.116 0.000 1.126 306 F CB 1.744 40.730 39.000 -0.023 0.000 1.476 306 F HN 0.490 nan 8.300 nan 0.000 0.576 307 S N 0.889 116.792 115.700 0.338 0.000 2.512 307 S HA 0.019 4.489 4.470 0.001 0.000 0.216 307 S C 1.095 175.471 174.600 -0.373 0.000 1.006 307 S CA 0.582 58.611 58.200 -0.285 0.000 0.915 307 S CB -0.212 62.374 63.200 -1.023 0.000 0.824 307 S HN 0.487 nan 8.310 nan 0.000 0.497 308 S N 0.339 116.009 115.700 -0.050 0.000 2.768 308 S HA 0.395 4.865 4.470 0.001 0.000 0.246 308 S C -0.330 174.333 174.600 0.105 0.000 1.006 308 S CA -0.567 57.642 58.200 0.015 0.000 1.075 308 S CB -0.787 62.515 63.200 0.170 0.000 0.786 308 S HN 0.597 nan 8.310 nan 0.000 0.468 309 Y N 0.244 120.336 120.300 -0.348 0.000 2.967 309 Y HA 0.518 5.069 4.550 0.001 0.000 0.311 309 Y C -0.435 175.285 175.900 -0.300 0.000 1.555 309 Y CA -1.599 56.270 58.100 -0.384 0.000 1.084 309 Y CB 0.794 38.804 38.460 -0.749 0.000 1.508 309 Y HN 0.151 nan 8.280 nan 0.000 0.457 310 V N 0.641 120.106 119.914 -0.748 0.000 2.999 310 V HA 0.317 4.438 4.120 0.001 0.000 0.307 310 V C 0.019 175.963 176.094 -0.250 0.000 1.084 310 V CA -0.355 61.663 62.300 -0.470 0.000 1.155 310 V CB -0.004 31.505 31.823 -0.524 0.000 0.975 310 V HN 0.731 nan 8.190 nan 0.000 0.490 311 T N 4.495 118.964 114.554 -0.142 0.000 2.940 311 T HA 0.229 4.579 4.350 0.001 0.000 0.309 311 T C 0.832 175.453 174.700 -0.131 0.000 1.056 311 T CA 1.054 63.100 62.100 -0.090 0.000 1.137 311 T CB -0.171 68.644 68.868 -0.088 0.000 0.976 311 T HN 1.139 nan 8.240 nan 0.000 0.547 312 N N -0.753 117.865 118.700 -0.136 0.000 2.980 312 N HA -0.180 4.560 4.740 0.001 0.000 0.213 312 N C 0.830 176.298 175.510 -0.071 0.000 0.892 312 N CA 0.689 53.677 53.050 -0.103 0.000 1.025 312 N CB -1.465 36.966 38.487 -0.094 0.000 1.030 312 N HN 0.544 nan 8.380 nan 0.000 0.585 313 I N 0.800 121.315 120.570 -0.092 0.000 2.264 313 I HA -0.150 4.020 4.170 0.001 0.000 0.248 313 I C 2.163 178.276 176.117 -0.008 0.000 1.111 313 I CA 1.730 62.992 61.300 -0.062 0.000 1.382 313 I CB -0.211 37.708 38.000 -0.135 0.000 1.060 313 I HN 0.390 nan 8.210 nan 0.000 0.418 314 M N 0.468 120.083 119.600 0.024 0.000 2.080 314 M HA -0.237 4.243 4.480 0.001 0.000 0.260 314 M C 1.747 178.075 176.300 0.046 0.000 1.068 314 M CA 2.010 57.348 55.300 0.063 0.000 1.109 314 M CB -0.654 32.021 32.600 0.124 0.000 1.342 314 M HN 0.247 nan 8.290 nan 0.000 0.405 315 D N -0.712 119.706 120.400 0.029 0.000 2.117 315 D HA -0.144 4.497 4.640 0.001 0.000 0.197 315 D C 2.150 178.474 176.300 0.040 0.000 0.987 315 D CA 1.584 55.605 54.000 0.035 0.000 0.829 315 D CB -0.581 40.224 40.800 0.009 0.000 0.961 315 D HN 0.284 nan 8.370 nan 0.000 0.460 316 V N 1.043 120.969 119.914 0.021 0.000 2.287 316 V HA -0.266 3.855 4.120 0.001 0.000 0.248 316 V C 2.550 178.672 176.094 0.047 0.000 1.053 316 V CA 1.492 63.807 62.300 0.025 0.000 1.027 316 V CB -0.410 31.420 31.823 0.012 0.000 0.646 316 V HN 0.200 nan 8.190 nan 0.000 0.447 317 M N -0.492 119.130 119.600 0.036 0.000 2.117 317 M HA -0.185 4.296 4.480 0.001 0.000 0.262 317 M C 1.959 178.428 176.300 0.282 0.000 1.065 317 M CA 1.821 57.158 55.300 0.062 0.000 1.114 317 M CB -0.633 31.835 32.600 -0.220 0.000 1.361 317 M HN 0.305 nan 8.290 nan 0.000 0.408 318 D N -0.100 120.444 120.400 0.241 0.000 2.218 318 D HA -0.105 4.536 4.640 0.001 0.000 0.204 318 D C 2.019 178.416 176.300 0.162 0.000 0.976 318 D CA 1.063 55.238 54.000 0.291 0.000 0.853 318 D CB -0.197 40.740 40.800 0.227 0.000 0.939 318 D HN 0.346 nan 8.370 nan 0.000 0.481 319 R N 0.020 120.584 120.500 0.108 0.000 2.093 319 R HA 0.001 4.342 4.340 0.001 0.000 0.224 319 R C 2.339 178.666 176.300 0.046 0.000 1.101 319 R CA 0.290 56.428 56.100 0.062 0.000 0.979 319 R CB -0.027 30.300 30.300 0.046 0.000 0.877 319 R HN 0.027 nan 8.270 nan 0.000 0.441 320 V N 1.216 121.167 119.914 0.061 0.000 2.295 320 V HA -0.180 3.940 4.120 0.001 0.000 0.246 320 V C 0.631 176.690 176.094 -0.059 0.000 1.049 320 V CA 1.422 63.736 62.300 0.022 0.000 1.024 320 V CB -0.401 31.446 31.823 0.040 0.000 0.648 320 V HN 0.333 nan 8.190 nan 0.000 0.447 321 N N -0.400 118.254 118.700 -0.077 0.000 2.762 321 N HA 0.271 5.012 4.740 0.001 0.000 0.252 321 N C -2.144 173.208 175.510 -0.263 0.000 1.269 321 N CA -1.745 51.096 53.050 -0.349 0.000 0.799 321 N CB 1.665 39.643 38.487 -0.848 0.000 1.173 321 N HN -0.012 nan 8.380 nan 0.000 0.516 322 P HA -0.036 nan 4.420 nan 0.000 0.222 322 P C 0.321 177.568 177.300 -0.089 0.000 1.147 322 P CA 0.940 64.011 63.100 -0.048 0.000 0.790 322 P CB 0.412 32.103 31.700 -0.014 0.000 0.780 323 D N -1.088 119.225 120.400 -0.145 0.000 2.269 323 D HA 0.006 4.647 4.640 0.001 0.000 0.208 323 D C 1.695 177.857 176.300 -0.231 0.000 0.963 323 D CA 1.322 55.251 54.000 -0.120 0.000 0.864 323 D CB -0.533 40.251 40.800 -0.026 0.000 0.936 323 D HN 0.089 nan 8.370 nan 0.000 0.505 324 G N 1.322 109.786 108.800 -0.561 0.000 2.611 324 G HA2 -0.419 3.541 3.960 0.001 0.000 0.301 324 G HA3 -0.419 3.541 3.960 0.001 0.000 0.301 324 G C 1.122 175.637 174.900 -0.642 0.000 1.233 324 G CA 0.600 45.106 45.100 -0.990 0.000 0.993 324 G HN 0.271 nan 8.290 nan 0.000 0.553 325 M N 1.121 120.585 119.600 -0.227 0.000 2.446 325 M HA 0.048 4.529 4.480 0.001 0.000 0.263 325 M C 2.765 179.062 176.300 -0.005 0.000 1.066 325 M CA 1.696 56.985 55.300 -0.019 0.000 1.087 325 M CB -0.267 32.408 32.600 0.126 0.000 1.406 325 M HN 0.700 nan 8.290 nan 0.000 0.459 326 A N -0.526 122.266 122.820 -0.046 0.000 2.206 326 A HA -0.075 4.246 4.320 0.001 0.000 0.211 326 A C 1.788 179.327 177.584 -0.076 0.000 1.158 326 A CA 0.339 52.338 52.037 -0.062 0.000 0.761 326 A CB -0.831 18.127 19.000 -0.070 0.000 0.801 326 A HN 0.483 nan 8.150 nan 0.000 0.473 327 F N 0.965 120.768 119.950 -0.244 0.000 2.120 327 F HA -0.245 4.283 4.527 0.001 0.000 0.300 327 F C 1.929 177.611 175.800 -0.198 0.000 1.095 327 F CA 1.626 59.452 58.000 -0.290 0.000 1.249 327 F CB -0.038 38.719 39.000 -0.404 0.000 0.995 327 F HN 0.187 nan 8.300 nan 0.000 0.480 328 I N 1.529 122.091 120.570 -0.013 0.000 2.091 328 I HA -0.232 3.939 4.170 0.001 0.000 0.239 328 I C -0.289 175.807 176.117 -0.034 0.000 1.061 328 I CA 1.937 63.240 61.300 0.004 0.000 1.317 328 I CB -2.980 35.129 38.000 0.181 0.000 1.031 328 I HN 0.128 nan 8.210 nan 0.000 0.401 329 P HA -0.071 nan 4.420 nan 0.000 0.220 329 P C 2.190 179.402 177.300 -0.146 0.000 1.152 329 P CA 1.301 64.355 63.100 -0.076 0.000 0.812 329 P CB 0.033 31.535 31.700 -0.331 0.000 0.792 330 L N -1.494 119.600 121.223 -0.216 0.000 2.270 330 L HA 0.035 4.375 4.340 0.001 0.000 0.210 330 L C 2.665 179.351 176.870 -0.307 0.000 1.104 330 L CA 0.976 55.681 54.840 -0.226 0.000 0.804 330 L CB -0.299 41.634 42.059 -0.211 0.000 0.937 330 L HN -0.089 nan 8.230 nan 0.000 0.450 331 R N -1.248 118.919 120.500 -0.554 0.000 2.215 331 R HA 0.140 4.480 4.340 0.001 0.000 0.190 331 R C 2.117 178.127 176.300 -0.483 0.000 0.968 331 R CA 0.544 56.212 56.100 -0.720 0.000 1.122 331 R CB -0.415 28.943 30.300 -1.570 0.000 1.151 331 R HN 0.044 nan 8.270 nan 0.000 0.582 332 V N 2.636 122.227 119.914 -0.538 0.000 2.261 332 V HA -0.196 3.925 4.120 0.001 0.000 0.246 332 V C 2.466 178.637 176.094 0.129 0.000 1.047 332 V CA 1.548 63.799 62.300 -0.082 0.000 1.015 332 V CB -0.434 31.364 31.823 -0.043 0.000 0.642 332 V HN 0.092 nan 8.190 nan 0.000 0.446 333 I N 0.166 120.774 120.570 0.062 0.000 2.163 333 I HA -0.121 4.050 4.170 0.001 0.000 0.243 333 I C 0.117 176.296 176.117 0.103 0.000 1.085 333 I CA 1.724 63.088 61.300 0.106 0.000 1.347 333 I CB -2.796 35.283 38.000 0.131 0.000 1.044 333 I HN 0.340 nan 8.210 nan 0.000 0.408 334 P HA -0.179 nan 4.420 nan 0.000 0.217 334 P C 2.038 179.418 177.300 0.134 0.000 1.150 334 P CA 1.216 64.362 63.100 0.077 0.000 0.832 334 P CB -0.207 31.518 31.700 0.041 0.000 0.787 335 F N 0.364 120.360 119.950 0.075 0.000 2.102 335 F HA -0.164 4.363 4.527 0.001 0.000 0.298 335 F C 1.905 177.761 175.800 0.092 0.000 1.105 335 F CA 1.523 59.608 58.000 0.141 0.000 1.239 335 F CB -0.913 38.289 39.000 0.337 0.000 0.991 335 F HN -0.268 nan 8.300 nan 0.000 0.474 336 L N 0.063 121.391 121.223 0.175 0.000 2.093 336 L HA -0.175 4.165 4.340 0.001 0.000 0.208 336 L C 2.740 179.578 176.870 -0.053 0.000 1.085 336 L CA 1.482 56.339 54.840 0.028 0.000 0.755 336 L CB -0.726 41.413 42.059 0.133 0.000 0.904 336 L HN 0.129 nan 8.230 nan 0.000 0.435 337 R N 0.933 121.428 120.500 -0.008 0.000 2.081 337 R HA -0.217 4.123 4.340 0.001 0.000 0.235 337 R C 2.228 178.490 176.300 -0.063 0.000 1.131 337 R CA 1.909 57.996 56.100 -0.021 0.000 0.960 337 R CB -0.110 30.192 30.300 0.005 0.000 0.856 337 R HN 0.587 nan 8.270 nan 0.000 0.436 338 E N 0.109 120.253 120.200 -0.094 0.000 2.204 338 E HA -0.165 4.186 4.350 0.001 0.000 0.195 338 E C 1.066 177.559 176.600 -0.180 0.000 0.990 338 E CA 1.014 57.342 56.400 -0.121 0.000 0.821 338 E CB 0.024 29.661 29.700 -0.104 0.000 0.750 338 E HN 0.098 nan 8.360 nan 0.000 0.477 339 K N 0.059 120.306 120.400 -0.255 0.000 2.458 339 K HA 0.110 4.431 4.320 0.001 0.000 0.194 339 K C 1.024 177.546 176.600 -0.130 0.000 1.024 339 K CA 0.688 56.829 56.287 -0.244 0.000 1.108 339 K CB 0.889 33.176 32.500 -0.355 0.000 0.846 339 K HN 0.430 nan 8.250 nan 0.000 0.518 340 G N 0.732 109.476 108.800 -0.094 0.000 2.176 340 G HA2 -0.237 3.724 3.960 0.001 0.000 0.232 340 G HA3 -0.237 3.724 3.960 0.001 0.000 0.232 340 G C 0.179 175.054 174.900 -0.041 0.000 0.986 340 G CA -0.034 45.031 45.100 -0.058 0.000 0.643 340 G HN 0.112 nan 8.290 nan 0.000 0.522 341 V N 3.258 123.149 119.914 -0.038 0.000 2.521 341 V HA 0.352 4.473 4.120 0.001 0.000 0.286 341 V C -1.130 174.957 176.094 -0.011 0.000 1.034 341 V CA -0.804 61.486 62.300 -0.016 0.000 1.045 341 V CB 0.896 32.719 31.823 0.001 0.000 0.974 341 V HN 0.225 nan 8.190 nan 0.000 0.480 342 P HA 0.109 nan 4.420 nan 0.000 0.272 342 P C 0.539 177.839 177.300 0.001 0.000 1.223 342 P CA -0.276 62.820 63.100 -0.006 0.000 0.784 342 P CB 0.700 32.395 31.700 -0.008 0.000 0.923 343 Q N 2.308 122.111 119.800 0.004 0.000 2.062 343 Q HA -0.292 4.049 4.340 0.001 0.000 0.209 343 Q C 1.369 177.375 176.000 0.011 0.000 0.996 343 Q CA 2.492 58.302 55.803 0.012 0.000 0.859 343 Q CB -0.766 27.978 28.738 0.010 0.000 0.920 343 Q HN 0.409 nan 8.270 nan 0.000 0.415 344 E N -0.619 119.584 120.200 0.004 0.000 2.204 344 E HA -0.105 4.245 4.350 0.001 0.000 0.195 344 E C 1.961 178.559 176.600 -0.004 0.000 0.990 344 E CA 1.645 58.046 56.400 0.001 0.000 0.821 344 E CB -0.312 29.387 29.700 -0.002 0.000 0.750 344 E HN 0.433 nan 8.360 nan 0.000 0.477 345 T N 0.561 115.112 114.554 -0.005 0.000 2.896 345 T HA 0.030 4.380 4.350 0.001 0.000 0.263 345 T C 1.791 176.486 174.700 -0.010 0.000 1.050 345 T CA 0.528 62.623 62.100 -0.008 0.000 1.140 345 T CB -0.113 68.752 68.868 -0.006 0.000 0.877 345 T HN 0.061 nan 8.240 nan 0.000 0.457 346 L N 0.874 122.097 121.223 -0.000 0.000 2.046 346 L HA -0.056 4.284 4.340 0.001 0.000 0.208 346 L C 3.030 179.887 176.870 -0.023 0.000 1.077 346 L CA 1.232 56.074 54.840 0.002 0.000 0.747 346 L CB -0.639 41.439 42.059 0.031 0.000 0.896 346 L HN 0.231 nan 8.230 nan 0.000 0.432 347 A N 0.286 123.101 122.820 -0.008 0.000 1.898 347 A HA -0.081 4.240 4.320 0.001 0.000 0.216 347 A C 2.418 179.973 177.584 -0.048 0.000 1.181 347 A CA 1.565 53.593 52.037 -0.015 0.000 0.620 347 A CB -1.221 17.787 19.000 0.012 0.000 0.819 347 A HN 0.425 nan 8.150 nan 0.000 0.442 348 G N 0.091 108.870 108.800 -0.036 0.000 2.440 348 G HA2 -0.205 3.755 3.960 0.001 0.000 0.218 348 G HA3 -0.205 3.755 3.960 0.001 0.000 0.218 348 G C 1.528 176.390 174.900 -0.063 0.000 1.154 348 G CA 1.174 46.251 45.100 -0.039 0.000 0.767 348 G HN 0.472 nan 8.290 nan 0.000 0.552 349 I N 1.382 121.908 120.570 -0.073 0.000 2.252 349 I HA -0.144 4.027 4.170 0.001 0.000 0.245 349 I C 3.086 179.103 176.117 -0.167 0.000 1.102 349 I CA 1.744 62.988 61.300 -0.094 0.000 1.385 349 I CB -0.298 37.662 38.000 -0.068 0.000 1.064 349 I HN 0.337 nan 8.210 nan 0.000 0.414 350 T N -2.792 111.603 114.554 -0.265 0.000 3.067 350 T HA 0.088 4.439 4.350 0.001 0.000 0.261 350 T C 1.441 175.886 174.700 -0.425 0.000 1.110 350 T CA 0.527 62.306 62.100 -0.535 0.000 1.113 350 T CB 0.101 68.346 68.868 -1.038 0.000 0.917 350 T HN 0.132 nan 8.240 nan 0.000 0.499 351 V N 0.659 120.445 119.914 -0.212 0.000 2.948 351 V HA 0.053 4.174 4.120 0.001 0.000 0.234 351 V C 2.786 178.847 176.094 -0.056 0.000 1.205 351 V CA 1.069 63.308 62.300 -0.102 0.000 1.234 351 V CB -0.333 31.467 31.823 -0.038 0.000 1.020 351 V HN 0.368 nan 8.190 nan 0.000 0.491 352 T N 1.183 115.707 114.554 -0.049 0.000 2.708 352 T HA -0.149 4.201 4.350 0.001 0.000 0.266 352 T C 1.796 176.484 174.700 -0.019 0.000 1.037 352 T CA 1.908 63.992 62.100 -0.027 0.000 1.146 352 T CB -0.334 68.521 68.868 -0.022 0.000 0.865 352 T HN 0.336 nan 8.240 nan 0.000 0.435 353 N N 1.496 120.175 118.700 -0.035 0.000 2.084 353 N HA -0.048 4.692 4.740 0.001 0.000 0.190 353 N C -0.975 174.543 175.510 0.012 0.000 1.030 353 N CA 1.176 54.210 53.050 -0.025 0.000 0.849 353 N CB -1.533 36.916 38.487 -0.062 0.000 1.012 353 N HN 0.339 nan 8.380 nan 0.000 0.423 354 P HA -0.033 nan 4.420 nan 0.000 0.216 354 P C 1.084 178.439 177.300 0.091 0.000 1.153 354 P CA 1.506 64.647 63.100 0.067 0.000 0.848 354 P CB -0.095 31.616 31.700 0.017 0.000 0.787 355 A N 0.079 122.920 122.820 0.035 0.000 1.902 355 A HA -0.218 4.103 4.320 0.001 0.000 0.217 355 A C 2.468 180.067 177.584 0.024 0.000 1.181 355 A CA 1.637 53.685 52.037 0.018 0.000 0.623 355 A CB -1.219 17.781 19.000 0.001 0.000 0.818 355 A HN 0.028 nan 8.150 nan 0.000 0.443 356 R N -1.933 118.592 120.500 0.041 0.000 2.075 356 R HA -0.122 4.218 4.340 0.001 0.000 0.232 356 R C 1.967 178.315 176.300 0.080 0.000 1.126 356 R CA 1.619 57.743 56.100 0.041 0.000 0.963 356 R CB -0.395 29.927 30.300 0.037 0.000 0.858 356 R HN 0.498 nan 8.270 nan 0.000 0.435 357 F N 1.360 121.276 119.950 -0.056 0.000 2.075 357 F HA -0.128 4.400 4.527 0.001 0.000 0.297 357 F C 1.803 177.562 175.800 -0.068 0.000 1.113 357 F CA 1.452 59.414 58.000 -0.063 0.000 1.218 357 F CB -0.379 38.585 39.000 -0.059 0.000 0.984 357 F HN -0.039 nan 8.300 nan 0.000 0.472 358 L N -0.635 120.527 121.223 -0.101 0.000 2.217 358 L HA -0.087 4.253 4.340 0.001 0.000 0.211 358 L C 1.403 178.167 176.870 -0.176 0.000 1.107 358 L CA 0.595 55.309 54.840 -0.210 0.000 0.783 358 L CB -0.857 41.150 42.059 -0.088 0.000 0.919 358 L HN 0.015 nan 8.230 nan 0.000 0.442 359 S N 0.694 116.327 115.700 -0.112 0.000 2.544 359 S HA 0.097 4.568 4.470 0.001 0.000 0.290 359 S C -2.179 172.345 174.600 -0.126 0.000 1.276 359 S CA -1.304 56.837 58.200 -0.099 0.000 1.075 359 S CB 0.343 63.504 63.200 -0.065 0.000 0.849 359 S HN -0.093 nan 8.310 nan 0.000 0.494 360 P HA 0.195 nan 4.420 nan 0.000 0.267 360 P C -1.060 176.179 177.300 -0.103 0.000 1.209 360 P CA 0.022 63.045 63.100 -0.128 0.000 0.763 360 P CB 0.670 32.301 31.700 -0.115 0.000 0.816 361 T N 4.246 118.736 114.554 -0.108 0.000 2.949 361 T HA 0.400 4.750 4.350 0.001 0.000 0.300 361 T C -0.056 174.598 174.700 -0.078 0.000 0.988 361 T CA -0.537 61.513 62.100 -0.083 0.000 0.993 361 T CB 0.428 69.249 68.868 -0.079 0.000 0.984 361 T HN 0.106 nan 8.240 nan 0.000 0.442 362 L N 2.503 123.689 121.223 -0.063 0.000 2.375 362 L HA 0.549 4.890 4.340 0.001 0.000 0.271 362 L C 0.992 177.834 176.870 -0.046 0.000 1.107 362 L CA -1.070 53.738 54.840 -0.054 0.000 0.806 362 L CB 0.756 42.787 42.059 -0.046 0.000 1.146 362 L HN 0.541 nan 8.230 nan 0.000 0.447 363 R N 2.191 122.666 120.500 -0.042 0.000 2.590 363 R HA 0.368 4.708 4.340 0.001 0.000 0.274 363 R C -0.189 176.095 176.300 -0.028 0.000 1.061 363 R CA -0.180 55.899 56.100 -0.035 0.000 1.081 363 R CB 0.751 31.033 30.300 -0.030 0.000 0.984 363 R HN 0.712 nan 8.270 nan 0.000 0.448 364 A N 3.539 126.344 122.820 -0.025 0.000 2.445 364 A HA 0.231 4.551 4.320 0.001 0.000 0.242 364 A C 0.077 177.652 177.584 -0.016 0.000 1.075 364 A CA -0.021 52.004 52.037 -0.020 0.000 0.777 364 A CB 0.171 19.160 19.000 -0.019 0.000 1.013 364 A HN 0.970 nan 8.150 nan 0.000 0.493 365 S N 0.000 115.692 115.700 -0.014 0.000 2.498 365 S HA 0.000 4.471 4.470 0.001 0.000 0.327 365 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 365 S CB 0.000 63.194 63.200 -0.009 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517