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 2uzx_1_A DATA FIRST_RESID 34 DATA SEQUENCE AMETITVPTP IKQIFSDDAF AETIKDNLKK KSVTDAVTQN ELNSIDQIIA DATA SEQUENCE NNSDIKSVQG IQYLPNVTKL FLNGNKLTDI KPLANLKNLG WLFLDENKVK DATA SEQUENCE DLSSLKDLKK LKSLSLEHNG ISDINGLVHL PQLESLYLGN NKITDITVLS DATA SEQUENCE RLTKLDTLSL EDNQISDIVP LAGLTKLQNL YLSKNHISDL RALAGLKNLD DATA SEQUENCE VLELFSQECL NKPINHQSNL VVPNTVKNTD GSLVTPEIIS DDGDYEKPNV DATA SEQUENCE KWHLPEFTNE VSFIFYQPVT IGKAKARFHG RVTQPLK 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 34 A HA 0.000 nan 4.320 nan 0.000 0.244 34 A C 0.000 177.604 177.584 0.033 0.000 1.274 34 A CA 0.000 52.057 52.037 0.033 0.000 0.836 34 A CB 0.000 19.030 19.000 0.049 0.000 0.831 35 M N 1.172 120.786 119.600 0.023 0.000 2.123 35 M HA 0.114 4.599 4.480 0.007 0.000 0.263 35 M C 0.798 177.120 176.300 0.037 0.000 1.069 35 M CA 1.831 57.144 55.300 0.021 0.000 1.133 35 M CB -0.105 32.499 32.600 0.006 0.000 1.356 35 M HN 0.637 nan 8.290 nan 0.000 0.415 36 E N 0.992 121.212 120.200 0.034 0.000 2.338 36 E HA 0.306 4.660 4.350 0.007 0.000 0.272 36 E C -0.598 176.135 176.600 0.222 0.000 1.029 36 E CA 0.204 56.645 56.400 0.067 0.000 0.872 36 E CB 0.834 30.470 29.700 -0.106 0.000 1.015 36 E HN 0.268 nan 8.360 nan 0.000 0.417 37 T N 1.435 116.222 114.554 0.389 0.000 3.094 37 T HA 0.302 4.656 4.350 0.007 0.000 0.373 37 T C -1.085 173.616 174.700 0.002 0.000 1.806 37 T CA -0.779 61.481 62.100 0.266 0.000 1.107 37 T CB 0.322 69.256 68.868 0.110 0.000 1.632 37 T HN 0.453 nan 8.240 nan 0.000 0.488 38 I N 2.459 122.859 120.570 -0.284 0.000 2.472 38 I HA 0.605 4.780 4.170 0.007 0.000 0.290 38 I C 1.273 177.300 176.117 -0.150 0.000 1.016 38 I CA -0.342 60.760 61.300 -0.330 0.000 1.348 38 I CB 1.691 39.407 38.000 -0.473 0.000 1.417 38 I HN 0.777 nan 8.210 nan 0.000 0.521 39 T N 2.200 116.686 114.554 -0.113 0.000 3.039 39 T HA 0.217 4.571 4.350 0.007 0.000 0.250 39 T C 0.637 175.299 174.700 -0.062 0.000 1.052 39 T CA 0.507 62.568 62.100 -0.066 0.000 1.125 39 T CB -0.116 68.726 68.868 -0.043 0.000 0.908 39 T HN 0.702 nan 8.240 nan 0.000 0.473 40 V N -1.865 118.003 119.914 -0.076 0.000 2.925 40 V HA 0.695 4.819 4.120 0.007 0.000 0.311 40 V C -3.260 172.790 176.094 -0.073 0.000 1.104 40 V CA -3.264 58.999 62.300 -0.061 0.000 0.954 40 V CB 1.439 33.233 31.823 -0.048 0.000 1.022 40 V HN -0.161 nan 8.190 nan 0.000 0.427 41 P HA 0.210 nan 4.420 nan 0.000 0.261 41 P C -0.297 176.967 177.300 -0.060 0.000 1.165 41 P CA 0.925 63.993 63.100 -0.053 0.000 0.759 41 P CB 0.108 31.787 31.700 -0.036 0.000 0.772 42 T N 4.420 118.933 114.554 -0.068 0.000 2.933 42 T HA 0.432 4.787 4.350 0.007 0.000 0.305 42 T C -2.800 171.872 174.700 -0.045 0.000 1.092 42 T CA -1.652 60.407 62.100 -0.070 0.000 1.008 42 T CB 1.701 70.499 68.868 -0.116 0.000 1.102 42 T HN 0.060 nan 8.240 nan 0.000 0.469 43 P HA 0.287 nan 4.420 nan 0.000 0.268 43 P C 0.745 178.054 177.300 0.015 0.000 1.204 43 P CA -0.214 62.884 63.100 -0.003 0.000 0.768 43 P CB 0.403 32.102 31.700 -0.000 0.000 0.842 44 I N 2.693 123.298 120.570 0.058 0.000 2.208 44 I HA -0.293 3.881 4.170 0.007 0.000 0.245 44 I C 2.263 178.484 176.117 0.172 0.000 1.097 44 I CA 1.580 62.974 61.300 0.156 0.000 1.363 44 I CB -0.499 37.590 38.000 0.148 0.000 1.051 44 I HN 0.467 nan 8.210 nan 0.000 0.413 45 K N 0.858 121.318 120.400 0.101 0.000 2.362 45 K HA -0.241 4.083 4.320 0.007 0.000 0.202 45 K C 1.841 178.481 176.600 0.067 0.000 1.045 45 K CA 1.567 57.907 56.287 0.087 0.000 0.936 45 K CB 0.032 32.563 32.500 0.052 0.000 0.747 45 K HN 0.486 nan 8.250 nan 0.000 0.467 46 Q N -0.607 119.212 119.800 0.031 0.000 2.350 46 Q HA 0.091 4.435 4.340 0.007 0.000 0.225 46 Q C 1.615 177.587 176.000 -0.047 0.000 0.878 46 Q CA -0.191 55.611 55.803 -0.001 0.000 0.935 46 Q CB 0.507 29.236 28.738 -0.015 0.000 1.099 46 Q HN 0.231 nan 8.270 nan 0.000 0.527 47 I N -0.101 120.398 120.570 -0.118 0.000 2.270 47 I HA -0.057 4.117 4.170 0.007 0.000 0.239 47 I C 0.562 176.489 176.117 -0.317 0.000 1.080 47 I CA 1.149 62.256 61.300 -0.321 0.000 1.383 47 I CB -0.661 36.926 38.000 -0.688 0.000 1.097 47 I HN -0.005 nan 8.210 nan 0.000 0.420 48 F N 2.184 122.177 119.950 0.071 0.000 2.350 48 F HA 0.198 4.729 4.527 0.007 0.000 0.365 48 F C 1.817 177.675 175.800 0.097 0.000 1.122 48 F CA -0.483 57.577 58.000 0.100 0.000 1.139 48 F CB 0.547 39.554 39.000 0.011 0.000 1.220 48 F HN -0.014 nan 8.300 nan 0.000 0.499 49 S N 0.270 116.110 115.700 0.234 0.000 2.368 49 S HA -0.211 4.264 4.470 0.007 0.000 0.225 49 S C 0.604 175.308 174.600 0.172 0.000 1.030 49 S CA 0.682 58.979 58.200 0.161 0.000 0.999 49 S CB -0.529 62.740 63.200 0.114 0.000 0.844 49 S HN 0.632 nan 8.310 nan 0.000 0.459 50 D N 2.351 122.885 120.400 0.223 0.000 2.426 50 D HA 0.070 4.714 4.640 0.007 0.000 0.261 50 D C 0.896 177.300 176.300 0.175 0.000 1.245 50 D CA 0.126 54.240 54.000 0.190 0.000 0.917 50 D CB 0.260 41.187 40.800 0.212 0.000 1.123 50 D HN 0.062 nan 8.370 nan 0.000 0.508 51 D N 3.513 123.982 120.400 0.116 0.000 2.191 51 D HA -0.304 4.341 4.640 0.007 0.000 0.190 51 D C 1.610 177.962 176.300 0.087 0.000 1.007 51 D CA 1.829 55.882 54.000 0.088 0.000 0.865 51 D CB -0.035 40.803 40.800 0.063 0.000 0.929 51 D HN 0.551 nan 8.370 nan 0.000 0.447 52 A N -0.248 122.633 122.820 0.101 0.000 1.854 52 A HA -0.127 4.197 4.320 0.007 0.000 0.214 52 A C 2.204 179.875 177.584 0.144 0.000 1.192 52 A CA 1.051 53.148 52.037 0.099 0.000 0.611 52 A CB -1.064 17.988 19.000 0.088 0.000 0.832 52 A HN 0.307 nan 8.150 nan 0.000 0.442 53 F N 1.315 121.260 119.950 -0.010 0.000 2.161 53 F HA -0.156 4.375 4.527 0.007 0.000 0.300 53 F C 2.536 178.252 175.800 -0.140 0.000 1.089 53 F CA 0.713 58.678 58.000 -0.058 0.000 1.282 53 F CB -0.776 38.214 39.000 -0.016 0.000 1.010 53 F HN 0.262 nan 8.300 nan 0.000 0.485 54 A N -0.199 122.577 122.820 -0.074 0.000 1.865 54 A HA -0.258 4.066 4.320 0.007 0.000 0.217 54 A C 2.116 179.595 177.584 -0.175 0.000 1.191 54 A CA 1.821 53.753 52.037 -0.174 0.000 0.623 54 A CB -1.066 17.964 19.000 0.050 0.000 0.826 54 A HN 0.388 nan 8.150 nan 0.000 0.444 55 E N -0.626 119.536 120.200 -0.064 0.000 2.331 55 E HA -0.108 4.246 4.350 0.007 0.000 0.199 55 E C 1.839 178.391 176.600 -0.080 0.000 1.008 55 E CA 1.593 57.963 56.400 -0.050 0.000 0.843 55 E CB -0.299 29.397 29.700 -0.008 0.000 0.761 55 E HN 0.595 nan 8.360 nan 0.000 0.507 56 T N 0.444 114.929 114.554 -0.116 0.000 2.809 56 T HA -0.052 4.302 4.350 0.007 0.000 0.260 56 T C 1.601 176.171 174.700 -0.216 0.000 1.039 56 T CA 0.897 62.930 62.100 -0.112 0.000 1.141 56 T CB -0.029 68.831 68.868 -0.014 0.000 0.869 56 T HN 0.113 nan 8.240 nan 0.000 0.437 57 I N 1.908 122.223 120.570 -0.426 0.000 2.127 57 I HA -0.142 4.032 4.170 0.007 0.000 0.241 57 I C 2.529 178.520 176.117 -0.211 0.000 1.075 57 I CA 1.342 62.384 61.300 -0.431 0.000 1.334 57 I CB -1.277 36.287 38.000 -0.726 0.000 1.040 57 I HN 0.201 nan 8.210 nan 0.000 0.405 58 K N 1.245 121.547 120.400 -0.162 0.000 2.052 58 K HA -0.268 4.056 4.320 0.007 0.000 0.215 58 K C 1.624 178.185 176.600 -0.066 0.000 1.053 58 K CA 2.265 58.502 56.287 -0.083 0.000 0.934 58 K CB -0.417 32.049 32.500 -0.057 0.000 0.717 58 K HN 0.322 nan 8.250 nan 0.000 0.450 59 D N 0.326 120.684 120.400 -0.069 0.000 2.144 59 D HA -0.138 4.506 4.640 0.007 0.000 0.200 59 D C 1.813 178.083 176.300 -0.049 0.000 0.978 59 D CA 0.615 54.585 54.000 -0.049 0.000 0.833 59 D CB -0.375 40.400 40.800 -0.041 0.000 0.961 59 D HN 0.353 nan 8.370 nan 0.000 0.470 60 N N 0.793 119.453 118.700 -0.068 0.000 2.142 60 N HA -0.102 4.642 4.740 0.007 0.000 0.186 60 N C 1.492 176.978 175.510 -0.041 0.000 1.023 60 N CA 0.619 53.636 53.050 -0.055 0.000 0.852 60 N CB -0.047 38.394 38.487 -0.076 0.000 0.998 60 N HN 0.199 nan 8.380 nan 0.000 0.424 61 L N 0.824 122.018 121.223 -0.047 0.000 2.629 61 L HA 0.173 4.517 4.340 0.007 0.000 0.230 61 L C 0.314 177.170 176.870 -0.023 0.000 1.151 61 L CA 0.087 54.910 54.840 -0.028 0.000 0.924 61 L CB -0.016 42.029 42.059 -0.023 0.000 1.137 61 L HN 0.098 nan 8.230 nan 0.000 0.457 62 K N -1.613 118.771 120.400 -0.026 0.000 3.274 62 K HA -0.168 4.156 4.320 0.007 0.000 0.300 62 K C 0.153 176.742 176.600 -0.019 0.000 1.230 62 K CA 0.627 56.901 56.287 -0.021 0.000 0.884 62 K CB -1.186 31.305 32.500 -0.016 0.000 1.242 62 K HN 0.155 nan 8.250 nan 0.000 0.467 63 K N 1.276 121.663 120.400 -0.021 0.000 2.143 63 K HA 0.062 4.386 4.320 0.007 0.000 0.239 63 K C 1.312 177.903 176.600 -0.015 0.000 1.048 63 K CA 0.173 56.450 56.287 -0.016 0.000 0.867 63 K CB 0.405 32.896 32.500 -0.015 0.000 1.088 63 K HN 0.174 nan 8.250 nan 0.000 0.510 64 K N -0.379 120.014 120.400 -0.011 0.000 2.287 64 K HA 0.038 4.362 4.320 0.007 0.000 0.199 64 K C 0.350 176.945 176.600 -0.008 0.000 1.061 64 K CA 0.237 56.518 56.287 -0.010 0.000 0.976 64 K CB 0.538 33.034 32.500 -0.007 0.000 0.898 64 K HN 0.376 nan 8.250 nan 0.000 0.492 65 S N -0.483 115.213 115.700 -0.006 0.000 2.595 65 S HA 0.231 4.706 4.470 0.007 0.000 0.281 65 S C 0.651 175.250 174.600 -0.000 0.000 1.117 65 S CA -0.575 57.624 58.200 -0.003 0.000 0.873 65 S CB 1.841 65.041 63.200 -0.000 0.000 1.108 65 S HN 0.095 nan 8.310 nan 0.000 0.477 66 V N 1.588 121.504 119.914 0.004 0.000 2.970 66 V HA 0.038 4.162 4.120 0.007 0.000 0.260 66 V C 2.012 178.118 176.094 0.021 0.000 1.100 66 V CA 1.995 64.303 62.300 0.014 0.000 1.122 66 V CB -1.865 29.970 31.823 0.019 0.000 0.721 66 V HN 0.967 nan 8.190 nan 0.000 0.483 67 T N -2.490 112.072 114.554 0.014 0.000 2.951 67 T HA -0.040 4.314 4.350 0.007 0.000 0.268 67 T C 0.636 175.341 174.700 0.008 0.000 1.073 67 T CA 0.518 62.625 62.100 0.012 0.000 1.134 67 T CB -0.648 68.225 68.868 0.008 0.000 0.884 67 T HN 0.481 nan 8.240 nan 0.000 0.479 68 D N 2.382 122.785 120.400 0.006 0.000 2.443 68 D HA 0.465 5.109 4.640 0.007 0.000 0.234 68 D C 0.198 176.500 176.300 0.004 0.000 1.172 68 D CA 0.345 54.347 54.000 0.003 0.000 0.878 68 D CB 0.519 41.319 40.800 0.000 0.000 1.204 68 D HN 0.572 nan 8.370 nan 0.000 0.453 69 A N 1.073 123.892 122.820 -0.002 0.000 2.316 69 A HA 0.566 4.890 4.320 0.007 0.000 0.284 69 A C -0.239 177.343 177.584 -0.003 0.000 1.115 69 A CA -0.551 51.483 52.037 -0.006 0.000 0.812 69 A CB 0.629 19.621 19.000 -0.014 0.000 1.064 69 A HN 0.434 nan 8.150 nan 0.000 0.489 70 V N -0.186 119.725 119.914 -0.005 0.000 2.789 70 V HA 0.844 4.968 4.120 0.007 0.000 0.311 70 V C -0.024 176.055 176.094 -0.024 0.000 1.073 70 V CA -0.071 62.228 62.300 -0.002 0.000 0.921 70 V CB 1.111 32.951 31.823 0.028 0.000 1.009 70 V HN 1.211 nan 8.190 nan 0.000 0.426 71 T N 0.155 114.696 114.554 -0.021 0.000 2.928 71 T HA 0.382 4.736 4.350 0.007 0.000 0.284 71 T C 0.808 175.490 174.700 -0.029 0.000 1.008 71 T CA 0.109 62.188 62.100 -0.035 0.000 1.057 71 T CB 1.713 70.565 68.868 -0.026 0.000 1.018 71 T HN 0.844 nan 8.240 nan 0.000 0.493 72 Q N 1.388 121.159 119.800 -0.048 0.000 2.217 72 Q HA -0.248 4.096 4.340 0.007 0.000 0.209 72 Q C 1.960 177.962 176.000 0.002 0.000 0.988 72 Q CA 2.354 58.138 55.803 -0.031 0.000 0.878 72 Q CB -0.721 27.994 28.738 -0.039 0.000 0.909 72 Q HN 0.847 nan 8.270 nan 0.000 0.424 73 N N 0.103 118.802 118.700 -0.002 0.000 2.043 73 N HA -0.200 4.544 4.740 0.007 0.000 0.193 73 N C 1.340 176.858 175.510 0.014 0.000 1.037 73 N CA 2.087 55.141 53.050 0.006 0.000 0.851 73 N CB -0.199 38.288 38.487 0.001 0.000 1.027 73 N HN 0.441 nan 8.380 nan 0.000 0.422 74 E N -0.073 120.134 120.200 0.013 0.000 2.085 74 E HA -0.128 4.226 4.350 0.007 0.000 0.194 74 E C 2.011 178.632 176.600 0.035 0.000 0.994 74 E CA 0.884 57.295 56.400 0.018 0.000 0.801 74 E CB -0.203 29.505 29.700 0.014 0.000 0.743 74 E HN 0.394 nan 8.360 nan 0.000 0.453 75 L N 1.129 122.382 121.223 0.050 0.000 2.261 75 L HA -0.173 4.171 4.340 0.007 0.000 0.216 75 L C 1.328 178.248 176.870 0.083 0.000 1.114 75 L CA 0.675 55.569 54.840 0.089 0.000 0.777 75 L CB -0.304 41.821 42.059 0.111 0.000 0.910 75 L HN 0.163 nan 8.230 nan 0.000 0.440 76 N N -1.192 117.543 118.700 0.057 0.000 2.353 76 N HA -0.055 4.689 4.740 0.007 0.000 0.185 76 N C 1.706 177.239 175.510 0.038 0.000 1.098 76 N CA 0.821 53.902 53.050 0.051 0.000 0.872 76 N CB 0.176 38.687 38.487 0.040 0.000 0.970 76 N HN 0.231 nan 8.380 nan 0.000 0.467 77 S N -0.358 115.362 115.700 0.033 0.000 2.593 77 S HA 0.216 4.690 4.470 0.007 0.000 0.217 77 S C 0.600 175.215 174.600 0.025 0.000 0.966 77 S CA -0.325 57.889 58.200 0.023 0.000 0.914 77 S CB -0.342 62.868 63.200 0.016 0.000 0.776 77 S HN 0.103 nan 8.310 nan 0.000 0.523 78 I N 2.215 122.807 120.570 0.036 0.000 2.352 78 I HA 0.287 4.461 4.170 0.007 0.000 0.290 78 I C 0.925 177.068 176.117 0.044 0.000 1.036 78 I CA -0.240 61.083 61.300 0.039 0.000 1.336 78 I CB 1.295 39.324 38.000 0.048 0.000 1.407 78 I HN 0.134 nan 8.210 nan 0.000 0.497 79 D N 4.050 124.473 120.400 0.039 0.000 2.431 79 D HA 0.012 4.656 4.640 0.007 0.000 0.227 79 D C 0.353 176.690 176.300 0.061 0.000 1.030 79 D CA 0.353 54.373 54.000 0.034 0.000 0.897 79 D CB 0.705 41.514 40.800 0.016 0.000 1.058 79 D HN 0.616 nan 8.370 nan 0.000 0.500 80 Q N 0.411 120.262 119.800 0.085 0.000 2.320 80 Q HA 0.369 4.714 4.340 0.007 0.000 0.272 80 Q C -1.863 174.225 176.000 0.148 0.000 1.023 80 Q CA -0.767 55.125 55.803 0.148 0.000 0.855 80 Q CB 1.522 30.368 28.738 0.181 0.000 1.367 80 Q HN 0.093 nan 8.270 nan 0.000 0.406 81 I N 4.288 124.985 120.570 0.212 0.000 2.436 81 I HA 0.470 4.644 4.170 0.007 0.000 0.289 81 I C -0.613 175.665 176.117 0.268 0.000 1.010 81 I CA -0.972 60.447 61.300 0.197 0.000 1.098 81 I CB 1.912 40.046 38.000 0.224 0.000 1.266 81 I HN 0.625 nan 8.210 nan 0.000 0.434 82 I N 5.936 126.601 120.570 0.158 0.000 2.420 82 I HA 0.467 4.641 4.170 0.007 0.000 0.282 82 I C -0.124 176.040 176.117 0.079 0.000 1.019 82 I CA -0.204 61.157 61.300 0.101 0.000 1.130 82 I CB 1.659 39.617 38.000 -0.071 0.000 1.262 82 I HN 0.690 nan 8.210 nan 0.000 0.454 83 A N 5.878 128.768 122.820 0.115 0.000 3.409 83 A HA 0.393 4.717 4.320 0.007 0.000 0.282 83 A C -0.719 176.906 177.584 0.069 0.000 1.064 83 A CA -0.698 51.393 52.037 0.090 0.000 0.889 83 A CB 0.029 19.113 19.000 0.140 0.000 1.251 83 A HN 0.616 nan 8.150 nan 0.000 0.538 84 N N 1.009 119.733 118.700 0.041 0.000 2.529 84 N HA 0.168 4.912 4.740 0.007 0.000 0.278 84 N C -0.353 175.163 175.510 0.010 0.000 1.146 84 N CA -0.136 52.930 53.050 0.026 0.000 0.980 84 N CB 0.541 39.029 38.487 0.002 0.000 1.124 84 N HN 0.491 nan 8.380 nan 0.000 0.458 85 N N -0.221 118.482 118.700 0.006 0.000 2.705 85 N HA -0.163 4.581 4.740 0.007 0.000 0.255 85 N C -0.609 174.904 175.510 0.005 0.000 1.008 85 N CA 0.669 53.718 53.050 -0.001 0.000 0.742 85 N CB -1.024 37.456 38.487 -0.012 0.000 0.906 85 N HN 0.423 nan 8.380 nan 0.000 0.541 86 S N -0.688 115.021 115.700 0.015 0.000 2.650 86 S HA 0.126 4.600 4.470 0.007 0.000 0.240 86 S C 0.226 174.842 174.600 0.026 0.000 1.007 86 S CA -0.165 58.050 58.200 0.024 0.000 0.984 86 S CB 0.507 63.733 63.200 0.044 0.000 0.910 86 S HN 0.521 nan 8.310 nan 0.000 0.509 87 D N 1.183 121.592 120.400 0.016 0.000 2.800 87 D HA -0.151 4.494 4.640 0.007 0.000 0.232 87 D C -0.593 175.718 176.300 0.019 0.000 1.137 87 D CA 0.310 54.319 54.000 0.015 0.000 0.718 87 D CB -1.687 39.123 40.800 0.018 0.000 1.084 87 D HN 0.449 nan 8.370 nan 0.000 0.432 88 I N 0.497 121.072 120.570 0.007 0.000 2.416 88 I HA 0.083 4.257 4.170 0.007 0.000 0.288 88 I C 1.716 177.819 176.117 -0.023 0.000 1.051 88 I CA 0.107 61.401 61.300 -0.010 0.000 1.375 88 I CB 0.988 38.944 38.000 -0.072 0.000 1.407 88 I HN -0.010 nan 8.210 nan 0.000 0.516 89 K N 3.161 123.556 120.400 -0.008 0.000 2.391 89 K HA 0.225 4.549 4.320 0.007 0.000 0.197 89 K C 0.255 176.846 176.600 -0.015 0.000 1.087 89 K CA 0.141 56.424 56.287 -0.007 0.000 1.012 89 K CB 0.878 33.385 32.500 0.012 0.000 0.925 89 K HN 0.521 nan 8.250 nan 0.000 0.547 90 S N 0.671 116.359 115.700 -0.020 0.000 2.543 90 S HA 0.195 4.669 4.470 0.007 0.000 0.273 90 S C -0.436 174.123 174.600 -0.068 0.000 1.152 90 S CA -0.806 57.380 58.200 -0.024 0.000 0.910 90 S CB 1.730 64.949 63.200 0.033 0.000 1.105 90 S HN 0.006 nan 8.310 nan 0.000 0.465 91 V N 2.259 122.088 119.914 -0.141 0.000 3.095 91 V HA 0.435 4.559 4.120 0.007 0.000 0.388 91 V C 0.348 176.544 176.094 0.170 0.000 1.286 91 V CA -0.459 61.692 62.300 -0.248 0.000 1.406 91 V CB -0.784 30.819 31.823 -0.366 0.000 1.363 91 V HN 0.736 nan 8.190 nan 0.000 0.532 92 Q N 2.085 122.032 119.800 0.245 0.000 2.286 92 Q HA 0.524 4.868 4.340 0.007 0.000 0.267 92 Q C 1.099 177.308 176.000 0.349 0.000 1.028 92 Q CA 1.336 57.274 55.803 0.224 0.000 0.901 92 Q CB 0.567 29.396 28.738 0.152 0.000 1.183 92 Q HN 0.927 nan 8.270 nan 0.000 0.392 93 G N 3.792 112.709 108.800 0.195 0.000 2.192 93 G HA2 -0.259 3.705 3.960 0.007 0.000 0.193 93 G HA3 -0.259 3.705 3.960 0.007 0.000 0.193 93 G C 0.460 175.539 174.900 0.299 0.000 0.999 93 G CA 0.087 45.195 45.100 0.013 0.000 0.659 93 G HN 0.633 nan 8.290 nan 0.000 0.503 94 I N 1.197 122.025 120.570 0.431 0.000 2.830 94 I HA 0.097 4.271 4.170 0.007 0.000 0.263 94 I C 2.324 178.544 176.117 0.172 0.000 1.230 94 I CA 1.931 63.494 61.300 0.437 0.000 1.480 94 I CB 0.044 38.260 38.000 0.359 0.000 1.095 94 I HN 0.293 nan 8.210 nan 0.000 0.455 95 Q N -0.798 118.971 119.800 -0.051 0.000 2.364 95 Q HA -0.113 4.232 4.340 0.007 0.000 0.207 95 Q C 1.145 177.026 176.000 -0.198 0.000 0.970 95 Q CA 1.292 56.979 55.803 -0.194 0.000 0.888 95 Q CB -0.513 28.003 28.738 -0.371 0.000 0.951 95 Q HN 0.573 nan 8.270 nan 0.000 0.469 96 Y N -0.650 119.683 120.300 0.054 0.000 2.490 96 Y HA 0.200 4.754 4.550 0.007 0.000 0.281 96 Y C -0.095 175.848 175.900 0.070 0.000 1.174 96 Y CA -0.302 57.817 58.100 0.031 0.000 1.295 96 Y CB 0.318 38.762 38.460 -0.027 0.000 1.062 96 Y HN -0.006 nan 8.280 nan 0.000 0.522 97 L N 2.052 123.399 121.223 0.206 0.000 2.360 97 L HA 0.325 4.669 4.340 0.007 0.000 0.265 97 L C -1.956 174.978 176.870 0.107 0.000 1.066 97 L CA -1.241 53.699 54.840 0.166 0.000 0.929 97 L CB 1.130 43.304 42.059 0.191 0.000 1.306 97 L HN -0.121 nan 8.230 nan 0.000 0.434 98 P HA 0.126 nan 4.420 nan 0.000 0.239 98 P C 0.618 177.943 177.300 0.042 0.000 1.188 98 P CA 0.522 63.655 63.100 0.055 0.000 0.794 98 P CB 0.453 32.184 31.700 0.050 0.000 0.937 99 N N -0.955 117.773 118.700 0.046 0.000 2.353 99 N HA 0.014 4.759 4.740 0.007 0.000 0.185 99 N C 0.210 175.736 175.510 0.028 0.000 1.098 99 N CA -0.017 53.050 53.050 0.029 0.000 0.872 99 N CB -0.390 38.113 38.487 0.027 0.000 0.970 99 N HN -0.022 nan 8.380 nan 0.000 0.467 100 V N 1.577 121.519 119.914 0.047 0.000 2.617 100 V HA -0.004 4.120 4.120 0.007 0.000 0.304 100 V C 1.220 177.331 176.094 0.027 0.000 1.040 100 V CA 1.235 63.567 62.300 0.053 0.000 1.149 100 V CB 0.807 32.681 31.823 0.086 0.000 0.914 100 V HN 0.531 nan 8.190 nan 0.000 0.487 101 T N 2.635 117.195 114.554 0.010 0.000 2.966 101 T HA 0.367 4.721 4.350 0.007 0.000 0.254 101 T C 0.304 174.983 174.700 -0.035 0.000 0.961 101 T CA -0.324 61.752 62.100 -0.041 0.000 0.915 101 T CB 0.247 69.050 68.868 -0.107 0.000 1.186 101 T HN 0.470 nan 8.240 nan 0.000 0.505 102 K N 1.494 121.920 120.400 0.045 0.000 2.394 102 K HA 0.655 4.979 4.320 0.007 0.000 0.260 102 K C -1.403 175.298 176.600 0.168 0.000 0.967 102 K CA -0.337 56.035 56.287 0.142 0.000 0.855 102 K CB 1.703 34.388 32.500 0.308 0.000 1.101 102 K HN 0.257 nan 8.250 nan 0.000 0.433 103 L N 4.742 125.997 121.223 0.053 0.000 2.319 103 L HA 0.512 4.857 4.340 0.007 0.000 0.281 103 L C -1.097 175.741 176.870 -0.052 0.000 1.005 103 L CA -0.747 54.142 54.840 0.081 0.000 0.828 103 L CB 0.691 42.798 42.059 0.081 0.000 1.227 103 L HN 0.513 nan 8.230 nan 0.000 0.415 104 F N 5.204 125.253 119.950 0.165 0.000 2.325 104 F HA 0.401 4.932 4.527 0.007 0.000 0.369 104 F C 0.457 176.293 175.800 0.059 0.000 1.095 104 F CA -0.368 57.681 58.000 0.081 0.000 1.082 104 F CB 0.926 39.890 39.000 -0.061 0.000 1.289 104 F HN 0.291 nan 8.300 nan 0.000 0.462 105 L N 3.140 124.476 121.223 0.188 0.000 3.347 105 L HA 0.251 4.595 4.340 0.007 0.000 0.306 105 L C -0.211 176.702 176.870 0.071 0.000 1.301 105 L CA -0.314 54.586 54.840 0.098 0.000 0.985 105 L CB -0.141 41.939 42.059 0.035 0.000 1.400 105 L HN 0.446 nan 8.230 nan 0.000 0.601 106 N N 1.364 120.117 118.700 0.088 0.000 2.518 106 N HA 0.232 4.976 4.740 0.007 0.000 0.266 106 N C 1.070 176.594 175.510 0.022 0.000 1.196 106 N CA 0.895 53.977 53.050 0.053 0.000 0.947 106 N CB 1.249 39.763 38.487 0.046 0.000 1.098 106 N HN 0.335 nan 8.380 nan 0.000 0.450 107 G N 0.760 109.564 108.800 0.007 0.000 2.248 107 G HA2 -0.212 3.752 3.960 0.007 0.000 0.252 107 G HA3 -0.212 3.752 3.960 0.007 0.000 0.252 107 G C -0.413 174.485 174.900 -0.002 0.000 1.085 107 G CA -0.422 44.675 45.100 -0.006 0.000 0.845 107 G HN 0.657 nan 8.290 nan 0.000 0.494 108 N N -0.973 117.726 118.700 -0.002 0.000 3.102 108 N HA 0.476 5.220 4.740 0.007 0.000 0.299 108 N C 0.460 175.965 175.510 -0.008 0.000 1.482 108 N CA -0.811 52.234 53.050 -0.008 0.000 0.785 108 N CB 0.955 39.429 38.487 -0.021 0.000 1.680 108 N HN 0.036 nan 8.380 nan 0.000 0.594 109 K N 0.648 121.041 120.400 -0.011 0.000 2.397 109 K HA 0.338 4.662 4.320 0.007 0.000 0.202 109 K C 0.372 176.964 176.600 -0.013 0.000 1.022 109 K CA -0.190 56.093 56.287 -0.007 0.000 1.141 109 K CB 0.155 32.654 32.500 -0.002 0.000 0.857 109 K HN 0.399 nan 8.250 nan 0.000 0.514 110 L N 1.835 123.042 121.223 -0.026 0.000 2.529 110 L HA -0.063 4.281 4.340 0.007 0.000 0.287 110 L C 1.193 178.052 176.870 -0.019 0.000 1.241 110 L CA 0.888 55.708 54.840 -0.034 0.000 0.857 110 L CB 0.153 42.179 42.059 -0.055 0.000 1.113 110 L HN 0.277 nan 8.230 nan 0.000 0.504 111 T N -3.888 110.655 114.554 -0.019 0.000 3.326 111 T HA 0.133 4.487 4.350 0.007 0.000 0.302 111 T C -0.386 174.306 174.700 -0.015 0.000 0.908 111 T CA -0.494 61.598 62.100 -0.012 0.000 0.933 111 T CB 0.135 68.999 68.868 -0.006 0.000 1.194 111 T HN 0.502 nan 8.240 nan 0.000 0.585 112 D N 1.628 122.015 120.400 -0.021 0.000 2.602 112 D HA 0.337 4.982 4.640 0.007 0.000 0.245 112 D C 0.547 176.831 176.300 -0.028 0.000 1.325 112 D CA -0.852 53.136 54.000 -0.021 0.000 0.952 112 D CB 1.234 42.025 40.800 -0.015 0.000 1.317 112 D HN 0.445 nan 8.370 nan 0.000 0.577 113 I N 0.371 120.924 120.570 -0.028 0.000 3.941 113 I HA 0.270 4.444 4.170 0.007 0.000 0.335 113 I C 1.366 177.466 176.117 -0.029 0.000 1.402 113 I CA -0.573 60.709 61.300 -0.031 0.000 1.112 113 I CB 0.283 38.265 38.000 -0.030 0.000 1.043 113 I HN -0.010 nan 8.210 nan 0.000 0.395 114 K N 1.997 122.381 120.400 -0.027 0.000 2.063 114 K HA -0.058 4.266 4.320 0.007 0.000 0.208 114 K C -0.587 175.995 176.600 -0.031 0.000 1.048 114 K CA 1.585 57.854 56.287 -0.029 0.000 0.928 114 K CB -1.266 31.218 32.500 -0.027 0.000 0.713 114 K HN 0.311 nan 8.250 nan 0.000 0.442 115 P HA -0.156 nan 4.420 nan 0.000 0.224 115 P C 0.615 177.905 177.300 -0.017 0.000 1.142 115 P CA 1.129 64.215 63.100 -0.023 0.000 0.778 115 P CB 0.083 31.785 31.700 0.002 0.000 0.764 116 L N -2.197 119.016 121.223 -0.017 0.000 2.354 116 L HA 0.113 4.457 4.340 0.007 0.000 0.212 116 L C 2.349 179.209 176.870 -0.017 0.000 1.091 116 L CA 0.617 55.452 54.840 -0.009 0.000 0.828 116 L CB -0.913 41.139 42.059 -0.011 0.000 0.973 116 L HN -0.091 nan 8.230 nan 0.000 0.461 117 A N 0.419 123.223 122.820 -0.028 0.000 2.009 117 A HA -0.239 4.086 4.320 0.007 0.000 0.222 117 A C 1.650 179.217 177.584 -0.029 0.000 1.175 117 A CA 1.880 53.897 52.037 -0.033 0.000 0.651 117 A CB -0.467 18.508 19.000 -0.041 0.000 0.815 117 A HN 0.480 nan 8.150 nan 0.000 0.459 118 N N -0.399 118.283 118.700 -0.029 0.000 2.328 118 N HA 0.251 4.995 4.740 0.007 0.000 0.247 118 N C -0.795 174.706 175.510 -0.015 0.000 1.165 118 N CA 0.000 53.035 53.050 -0.025 0.000 0.873 118 N CB 0.434 38.901 38.487 -0.034 0.000 1.125 118 N HN 0.380 nan 8.380 nan 0.000 0.513 119 L N 1.657 122.876 121.223 -0.006 0.000 2.449 119 L HA 0.233 4.577 4.340 0.007 0.000 0.255 119 L C 1.521 178.394 176.870 0.005 0.000 1.167 119 L CA -0.363 54.481 54.840 0.007 0.000 1.090 119 L CB 0.473 42.544 42.059 0.020 0.000 1.385 119 L HN -0.227 nan 8.230 nan 0.000 0.411 120 K N 0.666 121.067 120.400 0.002 0.000 2.218 120 K HA -0.164 4.160 4.320 0.007 0.000 0.205 120 K C 0.875 177.475 176.600 -0.001 0.000 1.046 120 K CA 1.242 57.529 56.287 0.000 0.000 0.933 120 K CB -0.001 32.499 32.500 0.001 0.000 0.728 120 K HN 0.598 nan 8.250 nan 0.000 0.454 121 N N 0.846 119.546 118.700 0.001 0.000 2.314 121 N HA -0.010 4.734 4.740 0.007 0.000 0.200 121 N C -0.258 175.244 175.510 -0.014 0.000 1.135 121 N CA -0.226 52.820 53.050 -0.008 0.000 0.835 121 N CB 0.196 38.680 38.487 -0.006 0.000 0.989 121 N HN -0.021 nan 8.380 nan 0.000 0.478 122 L N 0.429 121.650 121.223 -0.004 0.000 2.416 122 L HA 0.211 4.555 4.340 0.007 0.000 0.272 122 L C 1.122 177.989 176.870 -0.005 0.000 1.161 122 L CA 0.613 55.453 54.840 -0.000 0.000 0.845 122 L CB 1.154 43.220 42.059 0.011 0.000 1.119 122 L HN 0.023 nan 8.230 nan 0.000 0.464 123 G N 3.291 112.084 108.800 -0.011 0.000 2.849 123 G HA2 0.030 3.994 3.960 0.007 0.000 0.202 123 G HA3 0.030 3.994 3.960 0.007 0.000 0.202 123 G C -0.728 174.299 174.900 0.212 0.000 1.138 123 G CA -0.144 44.962 45.100 0.010 0.000 0.692 123 G HN 0.460 nan 8.290 nan 0.000 0.786 124 W N 0.570 121.843 121.300 -0.044 0.000 2.429 124 W HA 0.813 5.477 4.660 0.007 0.000 0.314 124 W C -1.036 175.380 176.519 -0.173 0.000 1.062 124 W CA -1.575 55.710 57.345 -0.100 0.000 1.211 124 W CB 1.304 30.805 29.460 0.068 0.000 1.305 124 W HN 0.013 nan 8.180 nan 0.000 0.476 125 L N 4.678 125.795 121.223 -0.176 0.000 2.476 125 L HA 0.612 4.956 4.340 0.007 0.000 0.269 125 L C -2.013 174.617 176.870 -0.399 0.000 0.965 125 L CA -0.822 53.924 54.840 -0.157 0.000 0.845 125 L CB 0.867 42.873 42.059 -0.088 0.000 1.259 125 L HN 0.160 nan 8.230 nan 0.000 0.403 126 F N 6.274 126.134 119.950 -0.150 0.000 2.445 126 F HA 0.567 5.098 4.527 0.007 0.000 0.348 126 F C -0.111 175.652 175.800 -0.061 0.000 1.125 126 F CA -0.452 57.475 58.000 -0.122 0.000 0.983 126 F CB 1.508 40.407 39.000 -0.169 0.000 1.198 126 F HN 0.262 nan 8.300 nan 0.000 0.436 127 L N 3.278 124.548 121.223 0.079 0.000 2.913 127 L HA 0.348 4.692 4.340 0.007 0.000 0.283 127 L C -0.767 176.135 176.870 0.052 0.000 1.336 127 L CA -0.436 54.435 54.840 0.053 0.000 0.815 127 L CB 0.059 42.125 42.059 0.012 0.000 1.188 127 L HN 0.385 nan 8.230 nan 0.000 0.551 128 D N 1.386 121.830 120.400 0.073 0.000 2.341 128 D HA 0.137 4.781 4.640 0.007 0.000 0.245 128 D C 0.729 177.061 176.300 0.054 0.000 1.106 128 D CA 0.137 54.181 54.000 0.073 0.000 0.905 128 D CB 1.090 41.933 40.800 0.072 0.000 1.202 128 D HN 0.291 nan 8.370 nan 0.000 0.426 129 E N -0.625 119.623 120.200 0.079 0.000 3.181 129 E HA -0.174 4.180 4.350 0.007 0.000 0.293 129 E C 0.083 176.703 176.600 0.033 0.000 0.936 129 E CA 0.379 56.806 56.400 0.044 0.000 0.975 129 E CB -0.746 28.938 29.700 -0.026 0.000 1.496 129 E HN 0.426 nan 8.360 nan 0.000 0.429 130 N N 0.110 118.832 118.700 0.038 0.000 2.645 130 N HA 0.325 5.069 4.740 0.007 0.000 0.308 130 N C 0.424 175.949 175.510 0.024 0.000 1.335 130 N CA -0.285 52.778 53.050 0.021 0.000 0.909 130 N CB 0.418 38.910 38.487 0.009 0.000 1.109 130 N HN -0.039 nan 8.380 nan 0.000 0.555 131 K N 0.332 120.739 120.400 0.012 0.000 2.860 131 K HA 0.293 4.617 4.320 0.007 0.000 0.204 131 K C -1.038 175.564 176.600 0.004 0.000 1.127 131 K CA -0.091 56.203 56.287 0.011 0.000 1.050 131 K CB 0.875 33.382 32.500 0.010 0.000 0.745 131 K HN 0.125 nan 8.250 nan 0.000 0.459 132 V N 2.341 122.256 119.914 0.001 0.000 2.415 132 V HA 0.053 4.177 4.120 0.007 0.000 0.267 132 V C 0.736 176.827 176.094 -0.004 0.000 1.042 132 V CA 0.528 62.824 62.300 -0.006 0.000 1.000 132 V CB 0.791 32.607 31.823 -0.011 0.000 1.015 132 V HN 0.312 nan 8.190 nan 0.000 0.478 133 K N 2.206 122.603 120.400 -0.005 0.000 2.373 133 K HA 0.134 4.459 4.320 0.007 0.000 0.200 133 K C 0.302 176.899 176.600 -0.006 0.000 1.054 133 K CA -0.044 56.240 56.287 -0.005 0.000 1.065 133 K CB 0.539 33.037 32.500 -0.003 0.000 0.886 133 K HN 0.788 nan 8.250 nan 0.000 0.546 134 D N 2.363 122.758 120.400 -0.009 0.000 2.943 134 D HA 0.015 4.659 4.640 0.007 0.000 0.249 134 D C 0.676 176.968 176.300 -0.014 0.000 1.231 134 D CA -0.319 53.675 54.000 -0.011 0.000 0.979 134 D CB 0.358 41.150 40.800 -0.013 0.000 1.053 134 D HN 0.031 nan 8.370 nan 0.000 0.504 135 L N -0.924 120.293 121.223 -0.009 0.000 2.675 135 L HA 0.026 4.370 4.340 0.007 0.000 0.238 135 L C 1.769 178.633 176.870 -0.011 0.000 1.155 135 L CA 0.308 55.142 54.840 -0.010 0.000 0.881 135 L CB -1.342 40.714 42.059 -0.005 0.000 1.008 135 L HN 0.126 nan 8.230 nan 0.000 0.443 136 S N -2.717 112.972 115.700 -0.018 0.000 2.607 136 S HA 0.025 4.499 4.470 0.007 0.000 0.224 136 S C 1.708 176.264 174.600 -0.075 0.000 0.969 136 S CA 0.553 58.728 58.200 -0.042 0.000 0.927 136 S CB -0.470 62.707 63.200 -0.039 0.000 0.772 136 S HN 0.444 nan 8.310 nan 0.000 0.533 137 S N 1.683 117.352 115.700 -0.052 0.000 2.489 137 S HA 0.262 4.737 4.470 0.007 0.000 0.228 137 S C 1.289 175.856 174.600 -0.055 0.000 0.995 137 S CA 0.402 58.569 58.200 -0.055 0.000 0.934 137 S CB -0.353 62.823 63.200 -0.040 0.000 0.771 137 S HN 0.553 nan 8.310 nan 0.000 0.522 138 L N 0.862 122.057 121.223 -0.046 0.000 2.591 138 L HA 0.206 4.550 4.340 0.007 0.000 0.228 138 L C 1.777 178.624 176.870 -0.037 0.000 1.133 138 L CA 0.266 55.086 54.840 -0.033 0.000 0.880 138 L CB -0.412 41.635 42.059 -0.019 0.000 1.033 138 L HN 0.101 nan 8.230 nan 0.000 0.450 139 K N 0.416 120.763 120.400 -0.088 0.000 2.366 139 K HA -0.178 4.147 4.320 0.007 0.000 0.202 139 K C 0.549 177.117 176.600 -0.054 0.000 1.045 139 K CA 1.121 57.326 56.287 -0.137 0.000 0.934 139 K CB 0.017 32.280 32.500 -0.395 0.000 0.746 139 K HN 0.338 nan 8.250 nan 0.000 0.470 140 D N -0.314 120.062 120.400 -0.040 0.000 2.503 140 D HA 0.076 4.720 4.640 0.007 0.000 0.218 140 D C -0.155 176.141 176.300 -0.006 0.000 1.183 140 D CA 0.033 54.022 54.000 -0.018 0.000 0.827 140 D CB 0.569 41.353 40.800 -0.027 0.000 1.034 140 D HN 0.064 nan 8.370 nan 0.000 0.510 141 L N 1.748 122.968 121.223 -0.005 0.000 2.376 141 L HA 0.116 4.461 4.340 0.007 0.000 0.250 141 L C 1.361 178.236 176.870 0.008 0.000 1.335 141 L CA 0.007 54.846 54.840 -0.000 0.000 1.214 141 L CB 0.004 42.061 42.059 -0.002 0.000 1.395 141 L HN -0.394 nan 8.230 nan 0.000 0.424 142 K N 0.845 121.251 120.400 0.010 0.000 2.525 142 K HA -0.015 4.309 4.320 0.007 0.000 0.192 142 K C 1.216 177.823 176.600 0.013 0.000 1.029 142 K CA 0.567 56.862 56.287 0.014 0.000 1.029 142 K CB 0.195 32.703 32.500 0.014 0.000 0.814 142 K HN 0.447 nan 8.250 nan 0.000 0.503 143 K N 0.207 120.613 120.400 0.010 0.000 2.355 143 K HA 0.101 4.425 4.320 0.007 0.000 0.198 143 K C 0.154 176.766 176.600 0.020 0.000 1.039 143 K CA -0.337 55.956 56.287 0.009 0.000 1.075 143 K CB 0.310 32.808 32.500 -0.002 0.000 0.870 143 K HN -0.073 nan 8.250 nan 0.000 0.540 144 L N 2.235 123.472 121.223 0.022 0.000 2.534 144 L HA -0.065 4.280 4.340 0.007 0.000 0.271 144 L C 0.738 177.640 176.870 0.054 0.000 1.178 144 L CA 0.813 55.674 54.840 0.035 0.000 0.907 144 L CB 0.525 42.592 42.059 0.014 0.000 1.164 144 L HN -0.085 nan 8.230 nan 0.000 0.482 145 K N 1.956 122.423 120.400 0.112 0.000 2.306 145 K HA 0.202 4.526 4.320 0.007 0.000 0.200 145 K C 0.362 177.017 176.600 0.093 0.000 1.083 145 K CA 0.418 56.781 56.287 0.126 0.000 0.959 145 K CB 0.223 32.850 32.500 0.212 0.000 0.994 145 K HN 0.576 nan 8.250 nan 0.000 0.492 146 S N 1.310 117.080 115.700 0.116 0.000 2.449 146 S HA 0.552 5.026 4.470 0.007 0.000 0.310 146 S C -1.203 173.260 174.600 -0.228 0.000 1.096 146 S CA -0.707 57.442 58.200 -0.085 0.000 1.095 146 S CB 0.569 63.590 63.200 -0.298 0.000 1.007 146 S HN 0.095 nan 8.310 nan 0.000 0.474 147 L N 4.729 125.827 121.223 -0.209 0.000 2.406 147 L HA 0.648 4.992 4.340 0.007 0.000 0.270 147 L C -0.594 176.191 176.870 -0.142 0.000 0.982 147 L CA 0.055 54.759 54.840 -0.226 0.000 0.843 147 L CB 1.807 43.797 42.059 -0.115 0.000 1.225 147 L HN 0.695 nan 8.230 nan 0.000 0.412 148 S N 5.856 121.383 115.700 -0.288 0.000 2.437 148 S HA 0.748 5.223 4.470 0.007 0.000 0.305 148 S C -0.490 174.093 174.600 -0.028 0.000 1.109 148 S CA -0.430 57.722 58.200 -0.079 0.000 1.099 148 S CB 0.557 63.671 63.200 -0.144 0.000 1.004 148 S HN 0.700 nan 8.310 nan 0.000 0.475 149 L N 4.254 125.495 121.223 0.030 0.000 2.745 149 L HA 0.350 4.694 4.340 0.007 0.000 0.296 149 L C -0.320 176.576 176.870 0.043 0.000 1.362 149 L CA -0.150 54.705 54.840 0.024 0.000 0.724 149 L CB 0.746 42.805 42.059 0.000 0.000 1.069 149 L HN 0.640 nan 8.230 nan 0.000 0.535 150 E N -0.034 120.210 120.200 0.074 0.000 2.313 150 E HA 0.276 4.630 4.350 0.007 0.000 0.272 150 E C -0.147 176.545 176.600 0.154 0.000 1.038 150 E CA -0.612 55.840 56.400 0.087 0.000 0.863 150 E CB 0.510 30.287 29.700 0.129 0.000 1.060 150 E HN 0.185 nan 8.360 nan 0.000 0.402 151 H N 1.714 120.789 119.070 0.008 0.000 2.882 151 H HA -0.139 4.421 4.556 0.007 0.000 0.314 151 H C -0.131 175.199 175.328 0.004 0.000 1.270 151 H CA 0.207 56.258 56.048 0.005 0.000 1.165 151 H CB -1.041 28.724 29.762 0.005 0.000 1.436 151 H HN 0.601 nan 8.280 nan 0.000 0.431 152 N N -0.108 118.623 118.700 0.053 0.000 2.227 152 N HA 0.096 4.840 4.740 0.007 0.000 0.196 152 N C 1.498 177.018 175.510 0.016 0.000 1.142 152 N CA 0.970 54.043 53.050 0.037 0.000 0.887 152 N CB 1.207 39.708 38.487 0.023 0.000 1.022 152 N HN 0.620 nan 8.380 nan 0.000 0.500 153 G N 1.814 110.613 108.800 -0.003 0.000 2.142 153 G HA2 -0.216 3.749 3.960 0.007 0.000 0.225 153 G HA3 -0.216 3.749 3.960 0.007 0.000 0.225 153 G C -0.109 174.784 174.900 -0.012 0.000 1.015 153 G CA -0.309 44.786 45.100 -0.008 0.000 0.716 153 G HN 0.239 nan 8.290 nan 0.000 0.508 154 I N 1.222 121.781 120.570 -0.018 0.000 2.352 154 I HA 0.297 4.471 4.170 0.007 0.000 0.290 154 I C 1.361 177.466 176.117 -0.020 0.000 1.036 154 I CA -0.190 61.100 61.300 -0.016 0.000 1.336 154 I CB 1.344 39.334 38.000 -0.015 0.000 1.407 154 I HN 0.078 nan 8.210 nan 0.000 0.497 155 S N 3.061 118.753 115.700 -0.014 0.000 2.438 155 S HA -0.016 4.458 4.470 0.007 0.000 0.220 155 S C 0.338 174.930 174.600 -0.013 0.000 1.045 155 S CA 0.214 58.406 58.200 -0.014 0.000 0.940 155 S CB -0.012 63.183 63.200 -0.009 0.000 0.863 155 S HN 0.740 nan 8.310 nan 0.000 0.539 156 D N 1.833 122.228 120.400 -0.009 0.000 2.317 156 D HA 0.253 4.897 4.640 0.007 0.000 0.234 156 D C 0.219 176.515 176.300 -0.005 0.000 1.112 156 D CA -0.365 53.631 54.000 -0.006 0.000 0.840 156 D CB 0.552 41.351 40.800 -0.002 0.000 1.078 156 D HN 0.173 nan 8.370 nan 0.000 0.486 157 I N 1.178 121.743 120.570 -0.008 0.000 3.816 157 I HA 0.305 4.479 4.170 0.007 0.000 0.334 157 I C 0.212 176.328 176.117 -0.002 0.000 1.551 157 I CA -0.305 60.990 61.300 -0.007 0.000 1.153 157 I CB -0.391 37.600 38.000 -0.016 0.000 1.197 157 I HN 0.149 nan 8.210 nan 0.000 0.439 158 N N 2.584 121.286 118.700 0.004 0.000 2.520 158 N HA -0.022 4.722 4.740 0.007 0.000 0.185 158 N C 1.940 177.470 175.510 0.033 0.000 1.068 158 N CA 1.201 54.255 53.050 0.006 0.000 0.911 158 N CB -0.130 38.359 38.487 0.005 0.000 0.961 158 N HN 0.624 nan 8.380 nan 0.000 0.446 159 G N 0.799 109.631 108.800 0.054 0.000 2.462 159 G HA2 -0.177 3.787 3.960 0.007 0.000 0.220 159 G HA3 -0.177 3.787 3.960 0.007 0.000 0.220 159 G C 1.471 176.446 174.900 0.126 0.000 1.121 159 G CA 0.233 45.401 45.100 0.112 0.000 0.758 159 G HN 0.294 nan 8.290 nan 0.000 0.559 160 L N 0.361 121.613 121.223 0.047 0.000 2.353 160 L HA -0.029 4.315 4.340 0.007 0.000 0.220 160 L C 2.682 179.553 176.870 0.001 0.000 1.133 160 L CA 0.036 54.889 54.840 0.022 0.000 0.798 160 L CB -0.259 41.795 42.059 -0.008 0.000 0.922 160 L HN 0.152 nan 8.230 nan 0.000 0.445 161 V N -0.496 119.392 119.914 -0.043 0.000 2.982 161 V HA -0.266 3.858 4.120 0.007 0.000 0.265 161 V C 2.031 177.988 176.094 -0.229 0.000 1.122 161 V CA 1.614 63.819 62.300 -0.159 0.000 1.143 161 V CB -0.667 31.007 31.823 -0.248 0.000 0.726 161 V HN 0.547 nan 8.190 nan 0.000 0.507 162 H N -0.701 118.360 119.070 -0.016 0.000 2.551 162 H HA 0.272 4.832 4.556 0.007 0.000 0.271 162 H C 0.023 175.343 175.328 -0.014 0.000 0.984 162 H CA 0.201 56.241 56.048 -0.013 0.000 1.164 162 H CB 0.478 30.232 29.762 -0.013 0.000 1.437 162 H HN 0.394 nan 8.280 nan 0.000 0.550 163 L N 2.106 123.368 121.223 0.065 0.000 2.637 163 L HA 0.251 4.595 4.340 0.007 0.000 0.241 163 L C -1.725 175.149 176.870 0.006 0.000 1.398 163 L CA -1.174 53.687 54.840 0.034 0.000 0.895 163 L CB 1.510 43.585 42.059 0.027 0.000 1.183 163 L HN -0.146 nan 8.230 nan 0.000 0.497 164 P HA -0.199 nan 4.420 nan 0.000 0.222 164 P C 1.076 178.372 177.300 -0.006 0.000 1.147 164 P CA 1.040 64.134 63.100 -0.011 0.000 0.790 164 P CB 0.346 32.038 31.700 -0.013 0.000 0.780 165 Q N 0.098 119.900 119.800 0.003 0.000 2.472 165 Q HA -0.009 4.335 4.340 0.007 0.000 0.208 165 Q C 0.893 176.898 176.000 0.008 0.000 0.958 165 Q CA 0.119 55.927 55.803 0.008 0.000 0.932 165 Q CB -1.102 27.645 28.738 0.014 0.000 1.007 165 Q HN 0.300 nan 8.270 nan 0.000 0.508 166 L N 2.159 123.381 121.223 -0.001 0.000 2.615 166 L HA -0.107 4.237 4.340 0.007 0.000 0.284 166 L C 1.234 178.097 176.870 -0.013 0.000 1.237 166 L CA 0.625 55.460 54.840 -0.009 0.000 0.905 166 L CB 0.357 42.397 42.059 -0.031 0.000 1.149 166 L HN 0.267 nan 8.230 nan 0.000 0.499 167 E N 0.616 120.815 120.200 -0.002 0.000 2.413 167 E HA 0.114 4.468 4.350 0.007 0.000 0.203 167 E C -0.355 176.219 176.600 -0.044 0.000 0.957 167 E CA 0.080 56.478 56.400 -0.002 0.000 0.950 167 E CB 0.726 30.451 29.700 0.041 0.000 0.957 167 E HN 0.571 nan 8.360 nan 0.000 0.497 168 S N 0.911 116.564 115.700 -0.079 0.000 2.614 168 S HA 0.456 4.930 4.470 0.007 0.000 0.275 168 S C -1.572 172.852 174.600 -0.295 0.000 1.161 168 S CA -0.706 57.376 58.200 -0.196 0.000 0.969 168 S CB 2.067 65.217 63.200 -0.083 0.000 1.059 168 S HN 0.059 nan 8.310 nan 0.000 0.482 169 L N 3.457 124.369 121.223 -0.519 0.000 2.439 169 L HA 0.610 4.954 4.340 0.007 0.000 0.270 169 L C -2.187 174.326 176.870 -0.595 0.000 0.972 169 L CA -0.474 54.129 54.840 -0.395 0.000 0.836 169 L CB 0.889 42.822 42.059 -0.211 0.000 1.255 169 L HN 0.719 nan 8.230 nan 0.000 0.404 170 Y N 6.117 126.354 120.300 -0.106 0.000 2.575 170 Y HA 0.446 5.000 4.550 0.007 0.000 0.326 170 Y C 0.539 176.396 175.900 -0.072 0.000 0.979 170 Y CA -0.530 57.516 58.100 -0.091 0.000 1.286 170 Y CB 1.175 39.579 38.460 -0.092 0.000 1.093 170 Y HN 0.464 nan 8.280 nan 0.000 0.501 171 L N 2.623 123.859 121.223 0.022 0.000 2.872 171 L HA 0.333 4.677 4.340 0.007 0.000 0.245 171 L C 1.266 178.132 176.870 -0.007 0.000 1.211 171 L CA -0.317 54.524 54.840 0.001 0.000 1.013 171 L CB 0.069 42.111 42.059 -0.028 0.000 1.326 171 L HN 0.778 nan 8.230 nan 0.000 0.525 172 G N -0.506 108.304 108.800 0.016 0.000 2.559 172 G HA2 -0.059 3.905 3.960 0.007 0.000 0.235 172 G HA3 -0.059 3.905 3.960 0.007 0.000 0.235 172 G C 0.440 175.296 174.900 -0.074 0.000 1.266 172 G CA -0.096 44.998 45.100 -0.009 0.000 0.847 172 G HN 0.528 nan 8.290 nan 0.000 0.583 173 N N 0.573 119.194 118.700 -0.131 0.000 2.708 173 N HA -0.150 4.594 4.740 0.007 0.000 0.255 173 N C 0.028 175.366 175.510 -0.286 0.000 1.046 173 N CA 1.102 53.972 53.050 -0.301 0.000 0.715 173 N CB -0.610 37.451 38.487 -0.711 0.000 0.895 173 N HN 0.686 nan 8.380 nan 0.000 0.545 174 N N 0.322 118.929 118.700 -0.154 0.000 3.550 174 N HA 0.326 5.070 4.740 0.007 0.000 0.357 174 N C 0.306 175.769 175.510 -0.079 0.000 1.585 174 N CA -0.401 52.585 53.050 -0.107 0.000 0.651 174 N CB 0.520 38.966 38.487 -0.069 0.000 2.273 174 N HN 0.058 nan 8.380 nan 0.000 0.631 175 K N 0.752 121.120 120.400 -0.054 0.000 2.646 175 K HA 0.461 4.785 4.320 0.007 0.000 0.206 175 K C -0.382 176.194 176.600 -0.040 0.000 1.069 175 K CA -0.082 56.181 56.287 -0.041 0.000 1.067 175 K CB 0.358 32.844 32.500 -0.024 0.000 0.807 175 K HN 0.365 nan 8.250 nan 0.000 0.482 176 I N 0.978 121.518 120.570 -0.049 0.000 2.533 176 I HA -0.038 4.136 4.170 0.007 0.000 0.284 176 I C 1.029 177.115 176.117 -0.053 0.000 1.109 176 I CA 0.377 61.650 61.300 -0.045 0.000 1.412 176 I CB 1.158 39.131 38.000 -0.045 0.000 1.396 176 I HN 0.081 nan 8.210 nan 0.000 0.543 177 T N 2.265 116.797 114.554 -0.036 0.000 3.085 177 T HA 0.013 4.367 4.350 0.007 0.000 0.241 177 T C 0.198 174.883 174.700 -0.024 0.000 0.988 177 T CA 0.340 62.422 62.100 -0.031 0.000 1.117 177 T CB 0.143 69.006 68.868 -0.009 0.000 0.978 177 T HN 0.559 nan 8.240 nan 0.000 0.454 178 D N 1.894 122.282 120.400 -0.019 0.000 2.392 178 D HA 0.259 4.904 4.640 0.007 0.000 0.228 178 D C 0.261 176.548 176.300 -0.021 0.000 1.074 178 D CA -0.686 53.304 54.000 -0.016 0.000 0.838 178 D CB 0.597 41.391 40.800 -0.011 0.000 1.067 178 D HN 0.404 nan 8.370 nan 0.000 0.511 179 I N 0.835 121.391 120.570 -0.024 0.000 3.805 179 I HA 0.227 4.402 4.170 0.007 0.000 0.337 179 I C 0.958 177.059 176.117 -0.026 0.000 1.539 179 I CA -0.500 60.783 61.300 -0.028 0.000 1.176 179 I CB 0.332 38.312 38.000 -0.032 0.000 1.248 179 I HN 0.027 nan 8.210 nan 0.000 0.437 180 T N 0.694 115.235 114.554 -0.023 0.000 2.737 180 T HA -0.193 4.162 4.350 0.007 0.000 0.269 180 T C 1.889 176.573 174.700 -0.027 0.000 1.040 180 T CA 2.003 64.089 62.100 -0.023 0.000 1.142 180 T CB -0.106 68.751 68.868 -0.019 0.000 0.861 180 T HN 0.441 nan 8.240 nan 0.000 0.456 181 V N 1.475 121.372 119.914 -0.029 0.000 2.626 181 V HA -0.013 4.111 4.120 0.007 0.000 0.252 181 V C 2.010 178.082 176.094 -0.037 0.000 1.067 181 V CA 1.207 63.486 62.300 -0.034 0.000 1.081 181 V CB -0.555 31.249 31.823 -0.031 0.000 0.686 181 V HN 0.524 nan 8.190 nan 0.000 0.468 182 L N -0.139 121.063 121.223 -0.035 0.000 2.450 182 L HA -0.089 4.255 4.340 0.007 0.000 0.224 182 L C 2.479 179.327 176.870 -0.036 0.000 1.149 182 L CA 1.169 55.986 54.840 -0.037 0.000 0.816 182 L CB -0.825 41.211 42.059 -0.039 0.000 0.932 182 L HN 0.331 nan 8.230 nan 0.000 0.449 183 S N 0.075 115.755 115.700 -0.034 0.000 2.400 183 S HA -0.144 4.331 4.470 0.007 0.000 0.232 183 S C 1.999 176.580 174.600 -0.032 0.000 1.025 183 S CA 1.213 59.394 58.200 -0.031 0.000 0.993 183 S CB -0.130 63.053 63.200 -0.030 0.000 0.808 183 S HN 0.503 nan 8.310 nan 0.000 0.478 184 R N 0.384 120.862 120.500 -0.037 0.000 2.223 184 R HA 0.205 4.549 4.340 0.007 0.000 0.198 184 R C 0.206 176.486 176.300 -0.034 0.000 0.984 184 R CA 0.236 56.313 56.100 -0.038 0.000 1.018 184 R CB -0.200 30.071 30.300 -0.049 0.000 0.945 184 R HN 0.354 nan 8.270 nan 0.000 0.479 185 L N 2.954 124.156 121.223 -0.035 0.000 2.382 185 L HA 0.102 4.447 4.340 0.007 0.000 0.259 185 L C 1.085 177.937 176.870 -0.030 0.000 1.291 185 L CA -0.047 54.773 54.840 -0.033 0.000 1.176 185 L CB -0.035 42.000 42.059 -0.039 0.000 1.373 185 L HN 0.084 nan 8.230 nan 0.000 0.426 186 T N -3.831 110.709 114.554 -0.025 0.000 3.188 186 T HA 0.039 4.393 4.350 0.007 0.000 0.250 186 T C 1.219 175.909 174.700 -0.017 0.000 1.077 186 T CA -0.144 61.944 62.100 -0.021 0.000 0.967 186 T CB 0.102 68.959 68.868 -0.018 0.000 1.006 186 T HN 0.238 nan 8.240 nan 0.000 0.552 187 K N 0.420 120.810 120.400 -0.016 0.000 2.374 187 K HA 0.450 4.774 4.320 0.007 0.000 0.202 187 K C 0.187 176.779 176.600 -0.013 0.000 1.040 187 K CA -0.338 55.944 56.287 -0.009 0.000 1.085 187 K CB -0.039 32.460 32.500 -0.003 0.000 0.873 187 K HN 0.396 nan 8.250 nan 0.000 0.539 188 L N 2.507 123.715 121.223 -0.026 0.000 2.462 188 L HA 0.022 4.366 4.340 0.007 0.000 0.272 188 L C 0.863 177.715 176.870 -0.030 0.000 1.166 188 L CA 0.160 54.976 54.840 -0.040 0.000 0.880 188 L CB 0.673 42.696 42.059 -0.060 0.000 1.142 188 L HN 0.362 nan 8.230 nan 0.000 0.473 189 D N 0.125 120.510 120.400 -0.025 0.000 2.407 189 D HA 0.011 4.655 4.640 0.007 0.000 0.208 189 D C -0.040 176.252 176.300 -0.013 0.000 1.083 189 D CA 0.056 54.050 54.000 -0.010 0.000 0.844 189 D CB 0.766 41.571 40.800 0.009 0.000 0.967 189 D HN 0.390 nan 8.370 nan 0.000 0.506 190 T N 1.132 115.657 114.554 -0.048 0.000 3.335 190 T HA 0.376 4.730 4.350 0.007 0.000 0.321 190 T C -1.564 173.030 174.700 -0.176 0.000 0.960 190 T CA -0.609 61.454 62.100 -0.062 0.000 1.034 190 T CB 1.606 70.441 68.868 -0.055 0.000 1.040 190 T HN 0.076 nan 8.240 nan 0.000 0.454 191 L N 2.858 124.025 121.223 -0.094 0.000 2.386 191 L HA 0.915 5.259 4.340 0.007 0.000 0.271 191 L C -0.710 176.139 176.870 -0.034 0.000 0.993 191 L CA -0.224 54.536 54.840 -0.134 0.000 0.819 191 L CB 2.240 44.251 42.059 -0.079 0.000 1.294 191 L HN 0.537 nan 8.230 nan 0.000 0.414 192 S N 4.963 120.591 115.700 -0.119 0.000 2.707 192 S HA 0.642 5.116 4.470 0.007 0.000 0.303 192 S C -0.392 174.199 174.600 -0.015 0.000 1.132 192 S CA -0.444 57.739 58.200 -0.028 0.000 1.046 192 S CB 0.610 63.738 63.200 -0.119 0.000 1.004 192 S HN 0.705 nan 8.310 nan 0.000 0.483 193 L N 4.095 125.333 121.223 0.025 0.000 3.229 193 L HA 0.330 4.674 4.340 0.007 0.000 0.286 193 L C 0.698 177.574 176.870 0.009 0.000 1.239 193 L CA -0.385 54.454 54.840 -0.000 0.000 1.035 193 L CB 0.320 42.371 42.059 -0.015 0.000 1.408 193 L HN 0.758 nan 8.230 nan 0.000 0.593 194 E N -0.084 120.143 120.200 0.044 0.000 2.467 194 E HA -0.161 4.193 4.350 0.007 0.000 0.264 194 E C -0.246 176.359 176.600 0.009 0.000 1.020 194 E CA 0.142 56.575 56.400 0.054 0.000 0.945 194 E CB 0.358 30.113 29.700 0.092 0.000 0.942 194 E HN 0.133 nan 8.360 nan 0.000 0.449 195 D N 1.261 121.665 120.400 0.007 0.000 2.873 195 D HA -0.139 4.506 4.640 0.007 0.000 0.228 195 D C -0.659 175.602 176.300 -0.064 0.000 1.122 195 D CA 0.556 54.545 54.000 -0.018 0.000 0.758 195 D CB -0.903 39.885 40.800 -0.021 0.000 1.094 195 D HN 0.646 nan 8.370 nan 0.000 0.434 196 N N -0.447 118.199 118.700 -0.089 0.000 3.195 196 N HA 0.306 5.050 4.740 0.007 0.000 0.306 196 N C 0.300 175.668 175.510 -0.236 0.000 1.454 196 N CA -0.150 52.824 53.050 -0.126 0.000 0.752 196 N CB 0.342 38.766 38.487 -0.106 0.000 1.997 196 N HN 0.017 nan 8.380 nan 0.000 0.478 197 Q N 0.446 120.072 119.800 -0.290 0.000 2.013 197 Q HA 0.418 4.762 4.340 0.007 0.000 0.233 197 Q C -0.972 174.810 176.000 -0.364 0.000 0.834 197 Q CA -0.101 55.390 55.803 -0.520 0.000 1.040 197 Q CB 0.914 29.533 28.738 -0.200 0.000 1.248 197 Q HN 0.418 nan 8.270 nan 0.000 0.425 198 I N 1.214 121.634 120.570 -0.250 0.000 2.533 198 I HA 0.010 4.184 4.170 0.007 0.000 0.284 198 I C 1.084 177.169 176.117 -0.054 0.000 1.109 198 I CA 0.388 61.621 61.300 -0.112 0.000 1.412 198 I CB 1.152 39.108 38.000 -0.073 0.000 1.396 198 I HN 0.214 nan 8.210 nan 0.000 0.543 199 S N 1.949 117.663 115.700 0.023 0.000 2.554 199 S HA 0.087 4.561 4.470 0.007 0.000 0.227 199 S C 0.250 174.873 174.600 0.038 0.000 1.050 199 S CA -0.374 57.874 58.200 0.080 0.000 0.927 199 S CB 0.228 63.504 63.200 0.127 0.000 0.859 199 S HN 0.679 nan 8.310 nan 0.000 0.494 200 D N 2.178 122.587 120.400 0.016 0.000 2.441 200 D HA 0.351 4.995 4.640 0.007 0.000 0.231 200 D C 0.473 176.765 176.300 -0.013 0.000 1.073 200 D CA -0.759 53.243 54.000 0.003 0.000 0.850 200 D CB 0.839 41.642 40.800 0.005 0.000 1.062 200 D HN 0.474 nan 8.370 nan 0.000 0.524 201 I N 0.960 121.517 120.570 -0.021 0.000 3.974 201 I HA 0.147 4.321 4.170 0.007 0.000 0.334 201 I C 0.923 177.021 176.117 -0.031 0.000 1.437 201 I CA -0.432 60.849 61.300 -0.032 0.000 1.113 201 I CB 0.500 38.472 38.000 -0.047 0.000 1.063 201 I HN 0.045 nan 8.210 nan 0.000 0.400 202 V N 2.355 122.254 119.914 -0.024 0.000 2.380 202 V HA -0.148 3.976 4.120 0.007 0.000 0.251 202 V C -0.159 175.921 176.094 -0.023 0.000 1.063 202 V CA 2.130 64.417 62.300 -0.022 0.000 1.055 202 V CB -1.895 29.919 31.823 -0.015 0.000 0.657 202 V HN 0.448 nan 8.190 nan 0.000 0.455 203 P HA -0.043 nan 4.420 nan 0.000 0.236 203 P C 1.339 178.622 177.300 -0.028 0.000 1.172 203 P CA 1.068 64.153 63.100 -0.025 0.000 0.759 203 P CB -0.073 31.611 31.700 -0.025 0.000 0.843 204 L N -2.074 119.130 121.223 -0.031 0.000 2.585 204 L HA 0.196 4.540 4.340 0.007 0.000 0.226 204 L C 2.182 179.032 176.870 -0.032 0.000 1.113 204 L CA 0.213 55.032 54.840 -0.034 0.000 0.876 204 L CB -0.517 41.519 42.059 -0.039 0.000 1.072 204 L HN -0.063 nan 8.230 nan 0.000 0.468 205 A N 0.595 123.397 122.820 -0.029 0.000 1.940 205 A HA -0.150 4.174 4.320 0.007 0.000 0.219 205 A C 2.181 179.750 177.584 -0.024 0.000 1.176 205 A CA 1.961 53.982 52.037 -0.027 0.000 0.631 205 A CB -0.755 18.231 19.000 -0.023 0.000 0.814 205 A HN 0.425 nan 8.150 nan 0.000 0.446 206 G N -1.570 107.217 108.800 -0.023 0.000 2.986 206 G HA2 0.334 4.298 3.960 0.007 0.000 0.213 206 G HA3 0.334 4.298 3.960 0.007 0.000 0.213 206 G C 0.373 175.260 174.900 -0.021 0.000 1.156 206 G CA -0.183 44.905 45.100 -0.020 0.000 0.763 206 G HN 0.294 nan 8.290 nan 0.000 0.547 207 L N 3.158 124.366 121.223 -0.024 0.000 2.544 207 L HA 0.144 4.488 4.340 0.007 0.000 0.240 207 L C 2.342 179.198 176.870 -0.023 0.000 1.421 207 L CA 0.487 55.312 54.840 -0.025 0.000 1.206 207 L CB -0.520 41.521 42.059 -0.030 0.000 1.463 207 L HN 0.232 nan 8.230 nan 0.000 0.437 208 T N -3.432 111.111 114.554 -0.019 0.000 2.881 208 T HA -0.206 4.148 4.350 0.007 0.000 0.270 208 T C 1.584 176.275 174.700 -0.015 0.000 1.068 208 T CA 0.966 63.056 62.100 -0.017 0.000 1.131 208 T CB -0.200 68.660 68.868 -0.013 0.000 0.871 208 T HN 0.378 nan 8.240 nan 0.000 0.479 209 K N 0.740 121.131 120.400 -0.014 0.000 2.589 209 K HA 0.248 4.572 4.320 0.007 0.000 0.192 209 K C 0.242 176.835 176.600 -0.012 0.000 1.029 209 K CA -0.122 56.159 56.287 -0.010 0.000 1.031 209 K CB -0.323 32.173 32.500 -0.008 0.000 0.821 209 K HN 0.455 nan 8.250 nan 0.000 0.502 210 L N 1.297 122.509 121.223 -0.018 0.000 2.455 210 L HA -0.037 4.307 4.340 0.007 0.000 0.272 210 L C 1.487 178.346 176.870 -0.018 0.000 1.174 210 L CA 0.416 55.243 54.840 -0.021 0.000 0.869 210 L CB 0.827 42.869 42.059 -0.028 0.000 1.130 210 L HN 0.244 nan 8.230 nan 0.000 0.474 211 Q N 2.107 121.900 119.800 -0.012 0.000 2.404 211 Q HA 0.141 4.485 4.340 0.007 0.000 0.262 211 Q C -0.377 175.611 176.000 -0.019 0.000 0.846 211 Q CA 0.044 55.841 55.803 -0.011 0.000 0.978 211 Q CB 0.963 29.704 28.738 0.004 0.000 1.156 211 Q HN 0.633 nan 8.270 nan 0.000 0.548 212 N N 1.521 120.222 118.700 0.002 0.000 2.483 212 N HA 0.303 5.048 4.740 0.007 0.000 0.267 212 N C -1.744 173.779 175.510 0.022 0.000 0.998 212 N CA -0.283 52.770 53.050 0.006 0.000 0.918 212 N CB 1.979 40.565 38.487 0.166 0.000 1.215 212 N HN 0.122 nan 8.380 nan 0.000 0.500 213 L N 2.952 124.096 121.223 -0.131 0.000 2.356 213 L HA 0.548 4.892 4.340 0.007 0.000 0.277 213 L C -1.821 174.940 176.870 -0.181 0.000 0.996 213 L CA -0.766 54.039 54.840 -0.057 0.000 0.822 213 L CB 0.862 42.879 42.059 -0.070 0.000 1.256 213 L HN 0.333 nan 8.230 nan 0.000 0.413 214 Y N 5.935 126.222 120.300 -0.020 0.000 2.338 214 Y HA 0.518 5.072 4.550 0.007 0.000 0.328 214 Y C 0.162 176.061 175.900 -0.001 0.000 0.965 214 Y CA -0.685 57.416 58.100 0.003 0.000 1.208 214 Y CB 1.602 40.075 38.460 0.021 0.000 1.132 214 Y HN 0.488 nan 8.280 nan 0.000 0.469 215 L N 1.760 123.051 121.223 0.114 0.000 3.267 215 L HA 0.284 4.629 4.340 0.007 0.000 0.289 215 L C 0.246 177.170 176.870 0.090 0.000 1.260 215 L CA -0.079 54.802 54.840 0.069 0.000 1.034 215 L CB 0.334 42.395 42.059 0.003 0.000 1.413 215 L HN 0.452 nan 8.230 nan 0.000 0.594 216 S N 0.826 116.609 115.700 0.139 0.000 2.596 216 S HA 0.141 4.615 4.470 0.007 0.000 0.260 216 S C 0.614 175.286 174.600 0.119 0.000 1.336 216 S CA -0.457 57.842 58.200 0.165 0.000 0.993 216 S CB 0.392 63.722 63.200 0.217 0.000 0.923 216 S HN 0.309 nan 8.310 nan 0.000 0.567 217 K N -0.217 120.259 120.400 0.126 0.000 3.096 217 K HA -0.170 4.154 4.320 0.007 0.000 0.266 217 K C -0.522 176.104 176.600 0.043 0.000 1.043 217 K CA 0.533 56.875 56.287 0.090 0.000 0.758 217 K CB -2.351 30.197 32.500 0.081 0.000 1.260 217 K HN 0.528 nan 8.250 nan 0.000 0.481 218 N N 0.174 118.904 118.700 0.049 0.000 3.223 218 N HA 0.318 5.062 4.740 0.007 0.000 0.350 218 N C 0.278 175.870 175.510 0.136 0.000 1.425 218 N CA -0.476 52.537 53.050 -0.062 0.000 0.668 218 N CB 0.314 38.760 38.487 -0.068 0.000 1.435 218 N HN 0.184 nan 8.380 nan 0.000 0.569 219 H N 0.069 119.167 119.070 0.047 0.000 2.575 219 H HA 0.368 4.928 4.556 0.007 0.000 0.256 219 H C -0.296 175.078 175.328 0.077 0.000 1.162 219 H CA -0.361 55.717 56.048 0.051 0.000 0.969 219 H CB 0.167 29.945 29.762 0.026 0.000 1.796 219 H HN 0.269 nan 8.280 nan 0.000 0.607 220 I N 1.086 121.779 120.570 0.206 0.000 2.598 220 I HA -0.012 4.162 4.170 0.007 0.000 0.284 220 I C 0.951 177.226 176.117 0.263 0.000 1.140 220 I CA 0.527 61.923 61.300 0.161 0.000 1.420 220 I CB 0.827 38.865 38.000 0.063 0.000 1.387 220 I HN 0.056 nan 8.210 nan 0.000 0.553 221 S N 3.224 119.028 115.700 0.174 0.000 2.520 221 S HA 0.068 4.542 4.470 0.007 0.000 0.219 221 S C 0.175 174.868 174.600 0.156 0.000 1.028 221 S CA -0.129 58.163 58.200 0.152 0.000 0.921 221 S CB 0.273 63.512 63.200 0.066 0.000 0.844 221 S HN 0.848 nan 8.310 nan 0.000 0.495 222 D N 0.267 120.729 120.400 0.102 0.000 2.861 222 D HA 0.250 4.894 4.640 0.007 0.000 0.216 222 D C -0.300 175.969 176.300 -0.051 0.000 1.323 222 D CA -0.435 53.594 54.000 0.049 0.000 0.917 222 D CB 0.724 41.541 40.800 0.028 0.000 1.582 222 D HN -0.049 nan 8.370 nan 0.000 0.576 223 L N 3.572 124.742 121.223 -0.088 0.000 2.685 223 L HA 0.329 4.673 4.340 0.007 0.000 0.233 223 L C 2.085 178.907 176.870 -0.080 0.000 1.173 223 L CA -0.362 54.379 54.840 -0.165 0.000 0.961 223 L CB -0.146 41.752 42.059 -0.268 0.000 1.217 223 L HN 0.396 nan 8.230 nan 0.000 0.478 224 R N 0.918 121.394 120.500 -0.039 0.000 2.170 224 R HA -0.167 4.177 4.340 0.007 0.000 0.242 224 R C 2.324 178.605 176.300 -0.032 0.000 1.145 224 R CA 1.386 57.472 56.100 -0.024 0.000 0.984 224 R CB -0.134 30.160 30.300 -0.010 0.000 0.869 224 R HN 0.441 nan 8.270 nan 0.000 0.455 225 A N 0.627 123.421 122.820 -0.043 0.000 1.930 225 A HA -0.091 4.233 4.320 0.007 0.000 0.217 225 A C 1.727 179.283 177.584 -0.046 0.000 1.175 225 A CA 1.009 53.022 52.037 -0.041 0.000 0.627 225 A CB -0.089 18.884 19.000 -0.044 0.000 0.815 225 A HN 0.148 nan 8.150 nan 0.000 0.443 226 L N -0.279 120.907 121.223 -0.061 0.000 2.627 226 L HA 0.220 4.564 4.340 0.007 0.000 0.233 226 L C 2.418 179.261 176.870 -0.045 0.000 1.144 226 L CA 0.761 55.566 54.840 -0.059 0.000 0.892 226 L CB -0.714 41.296 42.059 -0.082 0.000 1.039 226 L HN 0.309 nan 8.230 nan 0.000 0.442 227 A N 0.673 123.472 122.820 -0.035 0.000 1.917 227 A HA -0.171 4.153 4.320 0.007 0.000 0.219 227 A C 2.319 179.890 177.584 -0.021 0.000 1.182 227 A CA 1.993 54.015 52.037 -0.024 0.000 0.633 227 A CB -1.008 17.982 19.000 -0.017 0.000 0.819 227 A HN 0.449 nan 8.150 nan 0.000 0.448 228 G N -1.157 107.630 108.800 -0.021 0.000 3.042 228 G HA2 0.326 4.290 3.960 0.007 0.000 0.212 228 G HA3 0.326 4.290 3.960 0.007 0.000 0.212 228 G C 0.591 175.479 174.900 -0.019 0.000 1.166 228 G CA -0.280 44.809 45.100 -0.018 0.000 0.767 228 G HN 0.401 nan 8.290 nan 0.000 0.546 229 L N 1.300 122.508 121.223 -0.025 0.000 2.388 229 L HA 0.155 4.499 4.340 0.007 0.000 0.252 229 L C 1.661 178.517 176.870 -0.023 0.000 1.357 229 L CA -0.057 54.767 54.840 -0.026 0.000 1.214 229 L CB 0.137 42.175 42.059 -0.035 0.000 1.392 229 L HN 0.120 nan 8.230 nan 0.000 0.432 230 K N 0.697 121.087 120.400 -0.017 0.000 2.525 230 K HA -0.019 4.305 4.320 0.007 0.000 0.192 230 K C 1.002 177.595 176.600 -0.012 0.000 1.029 230 K CA 0.248 56.527 56.287 -0.013 0.000 1.029 230 K CB 0.273 32.767 32.500 -0.009 0.000 0.814 230 K HN 0.471 nan 8.250 nan 0.000 0.503 231 N N 0.259 118.950 118.700 -0.014 0.000 2.236 231 N HA 0.080 4.824 4.740 0.007 0.000 0.196 231 N C -0.101 175.400 175.510 -0.015 0.000 1.114 231 N CA 0.023 53.066 53.050 -0.012 0.000 0.859 231 N CB 0.376 38.858 38.487 -0.009 0.000 0.982 231 N HN 0.104 nan 8.380 nan 0.000 0.493 232 L N 0.408 121.616 121.223 -0.024 0.000 2.483 232 L HA -0.011 4.334 4.340 0.007 0.000 0.276 232 L C 1.287 178.139 176.870 -0.031 0.000 1.213 232 L CA 0.527 55.346 54.840 -0.035 0.000 0.843 232 L CB 0.566 42.595 42.059 -0.049 0.000 1.107 232 L HN 0.056 nan 8.230 nan 0.000 0.487 233 D N 0.180 120.557 120.400 -0.038 0.000 2.318 233 D HA 0.110 4.754 4.640 0.007 0.000 0.294 233 D C -0.574 175.696 176.300 -0.050 0.000 1.091 233 D CA 0.183 54.165 54.000 -0.030 0.000 0.883 233 D CB 0.872 41.664 40.800 -0.012 0.000 1.545 233 D HN 0.133 nan 8.370 nan 0.000 0.513 234 V N 1.867 121.729 119.914 -0.087 0.000 2.577 234 V HA 0.591 4.715 4.120 0.007 0.000 0.303 234 V C -1.219 174.714 176.094 -0.268 0.000 1.042 234 V CA -0.831 61.376 62.300 -0.156 0.000 0.872 234 V CB 1.782 33.514 31.823 -0.150 0.000 0.998 234 V HN 0.215 nan 8.190 nan 0.000 0.423 235 L N 4.312 125.386 121.223 -0.249 0.000 2.422 235 L HA 0.759 5.103 4.340 0.007 0.000 0.264 235 L C -0.744 175.993 176.870 -0.221 0.000 0.984 235 L CA 0.067 54.753 54.840 -0.256 0.000 0.819 235 L CB 2.432 44.407 42.059 -0.141 0.000 1.330 235 L HN 0.727 nan 8.230 nan 0.000 0.410 236 E N 4.914 124.994 120.200 -0.199 0.000 2.293 236 E HA 0.579 4.933 4.350 0.007 0.000 0.270 236 E C -0.972 175.655 176.600 0.046 0.000 0.879 236 E CA -0.447 55.926 56.400 -0.044 0.000 0.756 236 E CB 2.447 32.150 29.700 0.005 0.000 1.208 236 E HN 0.659 nan 8.360 nan 0.000 0.428 237 L N 2.453 123.764 121.223 0.147 0.000 3.584 237 L HA 0.260 4.605 4.340 0.007 0.000 0.354 237 L C -0.661 176.410 176.870 0.335 0.000 1.345 237 L CA -0.205 54.745 54.840 0.184 0.000 0.970 237 L CB 0.515 42.631 42.059 0.095 0.000 1.374 237 L HN 0.451 nan 8.230 nan 0.000 0.612 238 F N 0.552 120.592 119.950 0.149 0.000 2.403 238 F HA 0.297 4.829 4.527 0.007 0.000 0.320 238 F C 1.610 177.530 175.800 0.198 0.000 1.176 238 F CA 0.712 58.831 58.000 0.198 0.000 1.206 238 F CB 1.186 40.265 39.000 0.132 0.000 1.235 238 F HN 0.082 nan 8.300 nan 0.000 0.565 239 S N 1.921 117.615 115.700 -0.009 0.000 3.631 239 S HA -0.190 4.284 4.470 0.007 0.000 0.366 239 S C -0.193 174.368 174.600 -0.064 0.000 0.993 239 S CA 0.034 58.192 58.200 -0.070 0.000 1.167 239 S CB -1.441 61.869 63.200 0.184 0.000 0.909 239 S HN 0.539 nan 8.310 nan 0.000 0.478 240 Q N 0.988 120.716 119.800 -0.120 0.000 2.443 240 Q HA 0.320 4.664 4.340 0.007 0.000 0.232 240 Q C 0.667 176.664 176.000 -0.004 0.000 1.026 240 Q CA 0.216 56.048 55.803 0.049 0.000 0.924 240 Q CB 0.365 29.248 28.738 0.242 0.000 1.256 240 Q HN 0.389 nan 8.270 nan 0.000 0.519 241 E N 0.834 121.102 120.200 0.114 0.000 3.626 241 E HA 0.176 4.530 4.350 0.007 0.000 0.245 241 E C -1.076 175.475 176.600 -0.082 0.000 1.236 241 E CA -0.196 56.215 56.400 0.018 0.000 1.072 241 E CB 0.391 30.120 29.700 0.049 0.000 1.309 241 E HN 0.509 nan 8.360 nan 0.000 0.400 242 C N 1.654 120.930 119.300 -0.041 0.000 2.632 242 C HA 0.411 4.875 4.460 0.007 0.000 0.415 242 C C 0.550 175.447 174.990 -0.155 0.000 1.332 242 C CA -0.679 58.291 59.018 -0.081 0.000 1.874 242 C CB -0.715 27.018 27.740 -0.010 0.000 2.596 242 C HN 0.509 nan 8.230 nan 0.000 0.590 243 L N 4.566 125.682 121.223 -0.179 0.000 2.365 243 L HA 0.629 4.973 4.340 0.007 0.000 0.273 243 L C -0.597 176.219 176.870 -0.090 0.000 1.000 243 L CA 0.058 54.809 54.840 -0.149 0.000 0.819 243 L CB 1.069 43.019 42.059 -0.181 0.000 1.284 243 L HN 0.603 nan 8.230 nan 0.000 0.418 244 N N 2.609 121.269 118.700 -0.067 0.000 2.472 244 N HA 0.401 5.145 4.740 0.007 0.000 0.289 244 N C -0.888 174.607 175.510 -0.026 0.000 1.156 244 N CA -0.688 52.343 53.050 -0.032 0.000 0.940 244 N CB 1.126 39.608 38.487 -0.008 0.000 1.200 244 N HN 0.417 nan 8.380 nan 0.000 0.511 245 K N 1.391 121.784 120.400 -0.010 0.000 2.350 245 K HA 0.278 4.603 4.320 0.007 0.000 0.279 245 K C -2.158 174.440 176.600 -0.004 0.000 1.027 245 K CA -1.365 54.918 56.287 -0.007 0.000 0.969 245 K CB -0.131 32.370 32.500 0.001 0.000 0.954 245 K HN 0.346 nan 8.250 nan 0.000 0.474 246 P HA -0.005 nan 4.420 nan 0.000 0.266 246 P C -0.311 176.995 177.300 0.010 0.000 1.186 246 P CA 0.410 63.512 63.100 0.003 0.000 0.767 246 P CB 0.453 32.157 31.700 0.007 0.000 0.820 247 I N 1.970 122.550 120.570 0.018 0.000 2.686 247 I HA 0.187 4.361 4.170 0.007 0.000 0.295 247 I C -0.091 176.047 176.117 0.035 0.000 1.114 247 I CA -0.906 60.406 61.300 0.020 0.000 1.038 247 I CB 1.885 39.895 38.000 0.017 0.000 1.238 247 I HN 0.217 nan 8.210 nan 0.000 0.420 248 N N 4.563 123.275 118.700 0.020 0.000 2.411 248 N HA -0.048 4.696 4.740 0.007 0.000 0.265 248 N C 0.141 175.675 175.510 0.040 0.000 1.266 248 N CA 0.239 53.299 53.050 0.017 0.000 0.889 248 N CB 0.126 38.605 38.487 -0.013 0.000 1.069 248 N HN 0.442 nan 8.380 nan 0.000 0.476 249 H N 2.280 121.353 119.070 0.005 0.000 2.928 249 H HA 0.053 4.612 4.556 0.006 0.000 0.338 249 H C -0.670 174.666 175.328 0.013 0.000 1.047 249 H CA 0.500 56.579 56.048 0.052 0.000 1.435 249 H CB 0.697 30.594 29.762 0.226 0.000 1.428 249 H HN 0.429 nan 8.280 nan 0.000 0.590 250 Q N 2.104 121.484 119.800 -0.700 0.000 2.451 250 Q HA 0.249 4.593 4.340 0.007 0.000 0.281 250 Q C 0.735 176.356 176.000 -0.633 0.000 1.099 250 Q CA -0.786 54.657 55.803 -0.600 0.000 0.806 250 Q CB 2.212 30.819 28.738 -0.218 0.000 1.419 250 Q HN 0.677 nan 8.270 nan 0.000 0.427 251 S N 0.684 116.175 115.700 -0.349 0.000 2.507 251 S HA -0.040 4.434 4.470 0.007 0.000 0.235 251 S C 0.445 174.976 174.600 -0.114 0.000 0.988 251 S CA 0.793 58.879 58.200 -0.189 0.000 0.944 251 S CB -0.114 63.033 63.200 -0.089 0.000 0.762 251 S HN 0.492 nan 8.310 nan 0.000 0.526 252 N N 0.781 119.460 118.700 -0.034 0.000 2.687 252 N HA 0.271 5.016 4.740 0.007 0.000 0.275 252 N C -1.121 174.452 175.510 0.104 0.000 1.789 252 N CA -0.285 52.819 53.050 0.091 0.000 0.806 252 N CB 0.011 38.572 38.487 0.124 0.000 1.256 252 N HN 0.047 nan 8.380 nan 0.000 0.500 253 L N 0.806 122.107 121.223 0.130 0.000 2.514 253 L HA 0.247 4.592 4.340 0.007 0.000 0.280 253 L C -0.524 176.524 176.870 0.297 0.000 1.223 253 L CA 0.532 55.476 54.840 0.173 0.000 0.864 253 L CB 0.758 42.907 42.059 0.149 0.000 1.118 253 L HN 0.101 nan 8.230 nan 0.000 0.494 254 V N 5.747 125.799 119.914 0.230 0.000 2.419 254 V HA 0.332 4.456 4.120 0.007 0.000 0.287 254 V C -0.625 175.613 176.094 0.240 0.000 1.017 254 V CA -0.683 61.751 62.300 0.223 0.000 0.844 254 V CB 1.690 33.579 31.823 0.111 0.000 1.011 254 V HN 0.452 nan 8.190 nan 0.000 0.429 255 V N 7.481 127.621 119.914 0.377 0.000 2.347 255 V HA 0.403 4.528 4.120 0.007 0.000 0.280 255 V C -2.285 173.958 176.094 0.248 0.000 1.021 255 V CA -2.123 60.384 62.300 0.345 0.000 0.847 255 V CB 1.864 34.007 31.823 0.533 0.000 0.990 255 V HN 0.655 nan 8.190 nan 0.000 0.444 256 P HA 0.050 nan 4.420 nan 0.000 0.268 256 P C -0.204 177.185 177.300 0.148 0.000 1.205 256 P CA -0.062 63.112 63.100 0.124 0.000 0.771 256 P CB 0.379 32.135 31.700 0.093 0.000 0.858 257 N N 1.611 120.379 118.700 0.114 0.000 2.442 257 N HA 0.045 4.789 4.740 0.007 0.000 0.265 257 N C 0.588 176.153 175.510 0.091 0.000 1.138 257 N CA 0.103 53.210 53.050 0.096 0.000 0.956 257 N CB 0.506 39.014 38.487 0.036 0.000 1.067 257 N HN 0.397 nan 8.380 nan 0.000 0.474 258 T N -0.508 114.113 114.554 0.111 0.000 2.985 258 T HA 0.104 4.458 4.350 0.007 0.000 0.254 258 T C 0.699 175.402 174.700 0.006 0.000 1.021 258 T CA -0.186 61.950 62.100 0.059 0.000 0.957 258 T CB 0.136 69.045 68.868 0.067 0.000 1.047 258 T HN 0.116 nan 8.240 nan 0.000 0.511 259 V N 2.614 122.498 119.914 -0.050 0.000 2.585 259 V HA 0.293 4.417 4.120 0.007 0.000 0.296 259 V C 0.016 176.045 176.094 -0.108 0.000 1.035 259 V CA 0.076 62.260 62.300 -0.194 0.000 1.084 259 V CB 0.365 31.858 31.823 -0.551 0.000 0.953 259 V HN 0.413 nan 8.190 nan 0.000 0.483 260 K N 3.802 124.189 120.400 -0.021 0.000 2.427 260 K HA 0.402 4.727 4.320 0.007 0.000 0.252 260 K C -0.492 176.176 176.600 0.113 0.000 0.931 260 K CA -0.836 55.470 56.287 0.033 0.000 0.793 260 K CB 2.089 34.608 32.500 0.030 0.000 1.211 260 K HN 0.616 nan 8.250 nan 0.000 0.426 261 N N 0.024 118.782 118.700 0.096 0.000 2.347 261 N HA 0.015 4.759 4.740 0.007 0.000 0.253 261 N C 1.203 176.752 175.510 0.066 0.000 1.274 261 N CA 0.243 53.369 53.050 0.127 0.000 0.941 261 N CB 0.797 39.344 38.487 0.100 0.000 1.200 261 N HN 0.614 nan 8.380 nan 0.000 0.514 262 T N -2.167 112.415 114.554 0.047 0.000 2.803 262 T HA -0.233 4.121 4.350 0.007 0.000 0.269 262 T C 0.950 175.655 174.700 0.010 0.000 1.052 262 T CA 1.914 64.019 62.100 0.008 0.000 1.136 262 T CB -0.633 68.235 68.868 -0.000 0.000 0.864 262 T HN 0.768 nan 8.240 nan 0.000 0.467 263 D N 0.338 120.750 120.400 0.021 0.000 2.305 263 D HA 0.340 4.985 4.640 0.007 0.000 0.206 263 D C 1.704 178.014 176.300 0.017 0.000 0.974 263 D CA 0.636 54.646 54.000 0.016 0.000 0.871 263 D CB -0.367 40.445 40.800 0.020 0.000 0.947 263 D HN 0.584 nan 8.370 nan 0.000 0.516 264 G N -0.102 108.711 108.800 0.022 0.000 2.296 264 G HA2 -0.202 3.762 3.960 0.007 0.000 0.188 264 G HA3 -0.202 3.762 3.960 0.007 0.000 0.188 264 G C 0.319 175.234 174.900 0.025 0.000 1.000 264 G CA -0.006 45.106 45.100 0.021 0.000 0.672 264 G HN 0.724 nan 8.290 nan 0.000 0.483 265 S N 1.429 117.146 115.700 0.029 0.000 2.564 265 S HA 0.663 5.138 4.470 0.007 0.000 0.278 265 S C 0.732 175.350 174.600 0.030 0.000 1.333 265 S CA -0.659 57.560 58.200 0.031 0.000 1.048 265 S CB 1.221 64.442 63.200 0.034 0.000 0.900 265 S HN 0.612 nan 8.310 nan 0.000 0.505 266 L N 2.340 123.582 121.223 0.031 0.000 2.483 266 L HA 0.179 4.524 4.340 0.007 0.000 0.276 266 L C -0.159 176.713 176.870 0.002 0.000 1.213 266 L CA -0.529 54.322 54.840 0.018 0.000 0.843 266 L CB 0.151 42.243 42.059 0.056 0.000 1.107 266 L HN 0.505 nan 8.230 nan 0.000 0.487 267 V N 1.345 121.219 119.914 -0.065 0.000 2.333 267 V HA 0.101 4.225 4.120 0.007 0.000 0.274 267 V C 0.419 176.419 176.094 -0.156 0.000 1.028 267 V CA -0.763 61.488 62.300 -0.081 0.000 0.851 267 V CB 1.255 32.994 31.823 -0.141 0.000 1.000 267 V HN 0.904 nan 8.190 nan 0.000 0.456 268 T N 5.228 119.713 114.554 -0.115 0.000 2.822 268 T HA 0.121 4.475 4.350 0.007 0.000 0.288 268 T C -2.268 172.257 174.700 -0.291 0.000 0.991 268 T CA -0.852 61.084 62.100 -0.272 0.000 1.176 268 T CB 0.028 68.883 68.868 -0.023 0.000 0.951 268 T HN 0.418 nan 8.240 nan 0.000 0.526 269 P HA 0.158 nan 4.420 nan 0.000 0.268 269 P C 0.777 178.020 177.300 -0.095 0.000 1.205 269 P CA -0.325 62.612 63.100 -0.271 0.000 0.771 269 P CB 0.705 32.055 31.700 -0.583 0.000 0.858 270 E N 2.606 122.838 120.200 0.052 0.000 2.042 270 E HA 0.028 4.382 4.350 0.007 0.000 0.189 270 E C 0.133 176.749 176.600 0.027 0.000 0.974 270 E CA 0.811 57.238 56.400 0.045 0.000 0.806 270 E CB 0.215 29.965 29.700 0.084 0.000 0.769 270 E HN 0.368 nan 8.360 nan 0.000 0.451 271 I N 1.268 121.878 120.570 0.067 0.000 2.619 271 I HA 0.279 4.453 4.170 0.007 0.000 0.292 271 I C -1.268 174.921 176.117 0.120 0.000 1.100 271 I CA -0.882 60.457 61.300 0.065 0.000 1.043 271 I CB 2.120 40.157 38.000 0.062 0.000 1.239 271 I HN -0.006 nan 8.210 nan 0.000 0.420 272 I N 4.497 125.115 120.570 0.080 0.000 2.406 272 I HA 0.220 4.394 4.170 0.007 0.000 0.290 272 I C 0.510 176.733 176.117 0.178 0.000 0.999 272 I CA -0.208 61.164 61.300 0.121 0.000 1.124 272 I CB 1.976 39.912 38.000 -0.105 0.000 1.289 272 I HN 0.558 nan 8.210 nan 0.000 0.441 273 S N 4.249 120.148 115.700 0.331 0.000 2.579 273 S HA 0.178 4.652 4.470 0.007 0.000 0.275 273 S C 0.154 174.996 174.600 0.402 0.000 1.345 273 S CA -0.324 58.060 58.200 0.308 0.000 1.031 273 S CB 0.408 63.768 63.200 0.267 0.000 0.892 273 S HN 0.774 nan 8.310 nan 0.000 0.529 274 D N 1.169 121.721 120.400 0.252 0.000 2.699 274 D HA -0.127 4.517 4.640 0.007 0.000 0.239 274 D C -0.831 175.624 176.300 0.259 0.000 1.136 274 D CA 1.140 55.291 54.000 0.251 0.000 0.668 274 D CB -1.804 39.166 40.800 0.284 0.000 1.060 274 D HN 0.871 nan 8.370 nan 0.000 0.429 275 D N -1.199 119.291 120.400 0.150 0.000 2.737 275 D HA -0.154 4.490 4.640 0.007 0.000 0.238 275 D C 0.912 177.230 176.300 0.030 0.000 1.157 275 D CA 1.668 55.718 54.000 0.083 0.000 0.694 275 D CB -1.241 39.613 40.800 0.090 0.000 1.021 275 D HN 0.582 nan 8.370 nan 0.000 0.420 276 G N -0.082 108.665 108.800 -0.089 0.000 2.511 276 G HA2 0.564 4.528 3.960 0.007 0.000 0.316 276 G HA3 0.564 4.528 3.960 0.007 0.000 0.316 276 G C -0.338 174.380 174.900 -0.302 0.000 1.210 276 G CA -0.393 44.462 45.100 -0.408 0.000 0.969 276 G HN 0.036 nan 8.290 nan 0.000 0.492 277 D N -1.605 118.579 120.400 -0.360 0.000 2.581 277 D HA 0.292 4.936 4.640 0.007 0.000 0.232 277 D C -1.595 174.592 176.300 -0.187 0.000 1.143 277 D CA -0.309 53.569 54.000 -0.204 0.000 0.881 277 D CB 2.396 43.112 40.800 -0.140 0.000 1.500 277 D HN 0.254 nan 8.370 nan 0.000 0.458 278 Y N 1.194 121.346 120.300 -0.248 0.000 2.575 278 Y HA 0.306 4.860 4.550 0.006 0.000 0.326 278 Y C -0.378 175.422 175.900 -0.166 0.000 0.979 278 Y CA -0.803 57.150 58.100 -0.245 0.000 1.286 278 Y CB 0.827 39.141 38.460 -0.243 0.000 1.093 278 Y HN 0.141 nan 8.280 nan 0.000 0.501 279 E N 5.498 125.462 120.200 -0.394 0.000 2.127 279 E HA 0.149 4.503 4.350 0.007 0.000 0.262 279 E C -0.221 176.021 176.600 -0.597 0.000 1.144 279 E CA -0.346 55.802 56.400 -0.420 0.000 1.144 279 E CB -0.182 29.382 29.700 -0.227 0.000 1.297 279 E HN 0.541 nan 8.360 nan 0.000 0.469 280 K N 3.155 122.867 120.400 -1.146 0.000 2.526 280 K HA -0.130 4.194 4.320 0.007 0.000 0.267 280 K C -1.527 174.856 176.600 -0.362 0.000 1.009 280 K CA 0.149 55.876 56.287 -0.935 0.000 1.120 280 K CB 0.528 32.631 32.500 -0.661 0.000 0.797 280 K HN 0.273 nan 8.250 nan 0.000 0.476 281 P HA 0.102 nan 4.420 nan 0.000 0.254 281 P C -1.069 176.229 177.300 -0.003 0.000 1.494 281 P CA -0.130 62.925 63.100 -0.075 0.000 0.961 281 P CB 0.248 31.949 31.700 0.001 0.000 1.493 282 N N 0.009 118.626 118.700 -0.138 0.000 2.456 282 N HA 0.286 5.030 4.740 0.007 0.000 0.296 282 N C -0.586 174.909 175.510 -0.025 0.000 1.102 282 N CA -0.630 52.393 53.050 -0.046 0.000 0.924 282 N CB 1.924 40.371 38.487 -0.066 0.000 1.186 282 N HN -0.212 nan 8.380 nan 0.000 0.492 283 V N 1.667 121.571 119.914 -0.017 0.000 2.435 283 V HA 0.446 4.570 4.120 0.007 0.000 0.290 283 V C 0.094 176.043 176.094 -0.241 0.000 1.030 283 V CA -0.595 61.574 62.300 -0.219 0.000 0.881 283 V CB 1.180 32.784 31.823 -0.366 0.000 0.983 283 V HN 0.472 nan 8.190 nan 0.000 0.445 284 K N 4.028 124.179 120.400 -0.415 0.000 2.371 284 K HA 0.594 4.918 4.320 0.007 0.000 0.251 284 K C -1.408 175.008 176.600 -0.306 0.000 0.934 284 K CA -0.573 55.606 56.287 -0.180 0.000 0.798 284 K CB 2.579 35.030 32.500 -0.082 0.000 1.204 284 K HN 0.583 nan 8.250 nan 0.000 0.427 285 W N 0.505 121.850 121.300 0.074 0.000 2.902 285 W HA 0.230 4.894 4.660 0.006 0.000 0.346 285 W C -0.496 176.102 176.519 0.132 0.000 1.139 285 W CA -0.592 56.811 57.345 0.096 0.000 1.139 285 W CB 1.905 31.419 29.460 0.089 0.000 1.439 285 W HN 0.625 nan 8.180 nan 0.000 0.558 286 H N 1.677 120.919 119.070 0.287 0.000 2.708 286 H HA 0.430 4.989 4.556 0.005 0.000 0.320 286 H C -1.223 174.223 175.328 0.196 0.000 0.991 286 H CA -0.360 55.800 56.048 0.186 0.000 1.243 286 H CB 0.578 30.409 29.762 0.115 0.000 1.446 286 H HN 0.046 nan 8.280 nan 0.000 0.502 287 L N 8.626 129.726 121.223 -0.204 0.000 2.599 287 L HA 0.328 4.672 4.340 0.007 0.000 0.241 287 L C -1.829 174.986 176.870 -0.090 0.000 1.207 287 L CA -2.241 52.582 54.840 -0.028 0.000 0.987 287 L CB 0.979 43.180 42.059 0.237 0.000 1.318 287 L HN 0.650 nan 8.230 nan 0.000 0.458 288 P HA -0.087 nan 4.420 nan 0.000 0.221 288 P C 0.158 177.478 177.300 0.033 0.000 1.145 288 P CA 1.225 64.262 63.100 -0.104 0.000 0.795 288 P CB 0.495 32.202 31.700 0.011 0.000 0.775 289 E N -1.456 118.771 120.200 0.045 0.000 2.299 289 E HA 0.299 4.653 4.350 0.007 0.000 0.265 289 E C -0.845 175.750 176.600 -0.009 0.000 0.911 289 E CA -1.131 55.295 56.400 0.042 0.000 0.789 289 E CB 1.313 31.021 29.700 0.012 0.000 1.246 289 E HN -0.105 nan 8.360 nan 0.000 0.427 290 F N 1.255 121.042 119.950 -0.272 0.000 2.427 290 F HA 0.340 4.870 4.527 0.004 0.000 0.352 290 F C -0.053 175.533 175.800 -0.357 0.000 1.100 290 F CA 0.105 57.737 58.000 -0.614 0.000 1.191 290 F CB 1.065 39.744 39.000 -0.535 0.000 1.128 290 F HN 0.152 nan 8.300 nan 0.000 0.533 291 T N 5.072 118.973 114.554 -1.088 0.000 2.900 291 T HA 0.221 4.576 4.350 0.007 0.000 0.295 291 T C 0.790 174.869 174.700 -1.034 0.000 1.044 291 T CA -0.657 60.878 62.100 -0.942 0.000 0.995 291 T CB 1.214 69.827 68.868 -0.426 0.000 1.072 291 T HN 0.681 nan 8.240 nan 0.000 0.473 292 N N 2.063 120.309 118.700 -0.757 0.000 2.192 292 N HA -0.042 4.702 4.740 0.007 0.000 0.188 292 N C 0.233 175.595 175.510 -0.246 0.000 1.013 292 N CA 1.535 54.326 53.050 -0.432 0.000 0.863 292 N CB -0.001 38.337 38.487 -0.248 0.000 0.990 292 N HN 0.875 nan 8.380 nan 0.000 0.430 293 E N -3.159 116.887 120.200 -0.256 0.000 2.417 293 E HA 0.440 4.795 4.350 0.007 0.000 0.280 293 E C -1.226 175.225 176.600 -0.248 0.000 1.112 293 E CA -0.981 55.294 56.400 -0.207 0.000 0.863 293 E CB 1.329 30.940 29.700 -0.148 0.000 1.346 293 E HN -0.135 nan 8.360 nan 0.000 0.443 294 V N -1.805 117.921 119.914 -0.313 0.000 3.156 294 V HA 1.002 5.126 4.120 0.007 0.000 0.311 294 V C -0.624 175.399 176.094 -0.117 0.000 1.208 294 V CA -0.119 61.980 62.300 -0.335 0.000 1.063 294 V CB 1.351 32.532 31.823 -1.071 0.000 1.098 294 V HN 1.393 nan 8.190 nan 0.000 0.452 295 S N 0.095 115.903 115.700 0.180 0.000 2.683 295 S HA 0.752 5.226 4.470 0.007 0.000 0.278 295 S C -1.287 173.545 174.600 0.387 0.000 1.059 295 S CA -0.475 57.831 58.200 0.176 0.000 0.847 295 S CB 1.045 64.246 63.200 0.001 0.000 1.078 295 S HN 2.391 nan 8.310 nan 0.000 0.456 296 F N -0.544 119.521 119.950 0.191 0.000 2.604 296 F HA 0.842 5.373 4.527 0.006 0.000 0.316 296 F C -1.538 174.312 175.800 0.083 0.000 1.136 296 F CA -1.276 56.802 58.000 0.129 0.000 0.989 296 F CB 0.360 39.422 39.000 0.104 0.000 1.258 296 F HN 0.490 nan 8.300 nan 0.000 0.451 297 I N 4.558 125.229 120.570 0.169 0.000 2.519 297 I HA 0.437 4.611 4.170 0.007 0.000 0.287 297 I C -0.148 176.077 176.117 0.181 0.000 1.047 297 I CA -0.501 60.816 61.300 0.029 0.000 1.381 297 I CB 0.659 38.661 38.000 0.004 0.000 1.417 297 I HN 0.638 nan 8.210 nan 0.000 0.540 298 F N 4.802 124.736 119.950 -0.027 0.000 2.593 298 F HA 0.722 5.253 4.527 0.007 0.000 0.320 298 F C -1.347 174.478 175.800 0.043 0.000 1.060 298 F CA -1.392 56.603 58.000 -0.008 0.000 0.940 298 F CB 1.298 40.241 39.000 -0.095 0.000 1.268 298 F HN 0.384 nan 8.300 nan 0.000 0.475 299 Y N 1.973 122.309 120.300 0.059 0.000 2.330 299 Y HA 0.499 5.053 4.550 0.007 0.000 0.324 299 Y C -1.509 174.445 175.900 0.091 0.000 1.093 299 Y CA -0.559 57.551 58.100 0.018 0.000 1.103 299 Y CB 1.597 40.062 38.460 0.007 0.000 1.183 299 Y HN 0.828 nan 8.280 nan 0.000 0.433 300 Q N 8.648 128.387 119.800 -0.102 0.000 2.589 300 Q HA 0.478 4.822 4.340 0.007 0.000 0.245 300 Q C -3.029 172.970 176.000 -0.001 0.000 0.931 300 Q CA -2.450 53.383 55.803 0.049 0.000 0.730 300 Q CB 1.942 30.752 28.738 0.119 0.000 1.315 300 Q HN 0.355 nan 8.270 nan 0.000 0.469 301 P HA 0.052 nan 4.420 nan 0.000 0.267 301 P C -0.815 176.531 177.300 0.077 0.000 1.209 301 P CA -0.011 63.114 63.100 0.041 0.000 0.763 301 P CB 0.648 32.416 31.700 0.113 0.000 0.816 302 V N 1.032 120.990 119.914 0.073 0.000 3.113 302 V HA 0.860 4.984 4.120 0.007 0.000 0.316 302 V C -0.449 175.669 176.094 0.040 0.000 1.125 302 V CA -0.594 61.748 62.300 0.070 0.000 1.026 302 V CB 2.257 34.130 31.823 0.082 0.000 1.080 302 V HN 0.371 nan 8.190 nan 0.000 0.444 303 T N 3.192 117.764 114.554 0.029 0.000 3.011 303 T HA 0.657 5.011 4.350 0.007 0.000 0.303 303 T C -0.746 173.956 174.700 0.003 0.000 0.997 303 T CA -0.093 62.015 62.100 0.013 0.000 1.007 303 T CB 0.959 69.838 68.868 0.017 0.000 1.017 303 T HN 0.701 nan 8.240 nan 0.000 0.443 304 I N 2.792 123.355 120.570 -0.010 0.000 2.439 304 I HA 0.527 4.701 4.170 0.007 0.000 0.285 304 I C 1.197 177.303 176.117 -0.018 0.000 1.021 304 I CA -0.592 60.697 61.300 -0.018 0.000 1.091 304 I CB 1.297 39.278 38.000 -0.031 0.000 1.242 304 I HN 0.899 nan 8.210 nan 0.000 0.439 305 G N 6.694 115.486 108.800 -0.013 0.000 2.677 305 G HA2 -0.363 3.601 3.960 0.007 0.000 0.321 305 G HA3 -0.363 3.601 3.960 0.007 0.000 0.321 305 G C 0.655 175.550 174.900 -0.008 0.000 1.181 305 G CA 0.681 45.774 45.100 -0.011 0.000 0.965 305 G HN 0.663 nan 8.290 nan 0.000 0.548 306 K N 1.333 121.726 120.400 -0.012 0.000 2.387 306 K HA 0.634 4.958 4.320 0.007 0.000 0.203 306 K C 0.576 177.168 176.600 -0.014 0.000 1.030 306 K CA 0.495 56.777 56.287 -0.009 0.000 1.099 306 K CB 1.250 33.746 32.500 -0.007 0.000 0.863 306 K HN 0.708 nan 8.250 nan 0.000 0.529 307 A N 1.674 124.481 122.820 -0.021 0.000 2.290 307 A HA 0.395 4.719 4.320 0.007 0.000 0.310 307 A C -0.732 176.839 177.584 -0.022 0.000 1.202 307 A CA -0.490 51.528 52.037 -0.032 0.000 0.837 307 A CB 0.449 19.417 19.000 -0.053 0.000 1.139 307 A HN 0.092 nan 8.150 nan 0.000 0.509 308 K N 1.748 122.136 120.400 -0.019 0.000 2.389 308 K HA 0.585 4.909 4.320 0.007 0.000 0.261 308 K C -0.300 176.296 176.600 -0.007 0.000 1.014 308 K CA -0.074 56.211 56.287 -0.004 0.000 0.920 308 K CB 1.757 34.260 32.500 0.005 0.000 1.149 308 K HN 0.797 nan 8.250 nan 0.000 0.444 309 A N 3.076 125.898 122.820 0.003 0.000 2.389 309 A HA 0.691 5.015 4.320 0.007 0.000 0.293 309 A C -0.860 176.749 177.584 0.041 0.000 1.186 309 A CA -0.977 51.068 52.037 0.014 0.000 0.828 309 A CB 1.091 20.092 19.000 0.002 0.000 1.369 309 A HN 0.694 nan 8.150 nan 0.000 0.446 310 R N 0.366 120.909 120.500 0.072 0.000 2.412 310 R HA 0.296 4.640 4.340 0.007 0.000 0.304 310 R C -1.593 174.786 176.300 0.132 0.000 1.066 310 R CA -0.387 55.721 56.100 0.013 0.000 0.923 310 R CB 1.320 31.595 30.300 -0.043 0.000 1.156 310 R HN 0.537 nan 8.270 nan 0.000 0.513 311 F N 5.595 125.518 119.950 -0.045 0.000 2.471 311 F HA 0.201 4.732 4.527 0.007 0.000 0.365 311 F C -0.061 175.745 175.800 0.009 0.000 1.095 311 F CA -0.244 57.788 58.000 0.053 0.000 1.174 311 F CB 0.019 39.092 39.000 0.121 0.000 1.105 311 F HN 0.481 nan 8.300 nan 0.000 0.535 312 H N 4.040 122.948 119.070 -0.270 0.000 3.046 312 H HA 0.621 5.181 4.556 0.007 0.000 0.361 312 H C -0.905 173.724 175.328 -1.165 0.000 1.235 312 H CA -0.071 55.375 56.048 -1.003 0.000 1.146 312 H CB 1.720 30.921 29.762 -0.936 0.000 1.859 312 H HN 0.857 nan 8.280 nan 0.000 0.548 313 G N 2.122 109.373 108.800 -2.581 0.000 2.317 313 G HA2 0.265 4.229 3.960 0.007 0.000 0.293 313 G HA3 0.265 4.229 3.960 0.007 0.000 0.293 313 G C -1.881 172.403 174.900 -1.026 0.000 1.287 313 G CA -0.933 43.221 45.100 -1.576 0.000 0.850 313 G HN 0.715 nan 8.290 nan 0.000 0.515 314 R N -0.216 120.030 120.500 -0.424 0.000 2.502 314 R HA 0.653 4.997 4.340 0.007 0.000 0.300 314 R C -1.312 174.857 176.300 -0.218 0.000 0.984 314 R CA -0.546 55.398 56.100 -0.261 0.000 0.882 314 R CB 2.007 32.179 30.300 -0.213 0.000 1.180 314 R HN 0.445 nan 8.270 nan 0.000 0.444 315 V N 3.872 123.537 119.914 -0.414 0.000 2.465 315 V HA 0.352 4.476 4.120 0.007 0.000 0.279 315 V C -0.138 175.737 176.094 -0.366 0.000 1.045 315 V CA -0.250 61.763 62.300 -0.478 0.000 0.938 315 V CB 1.682 32.980 31.823 -0.874 0.000 0.986 315 V HN 0.831 nan 8.190 nan 0.000 0.467 316 T N 4.677 119.103 114.554 -0.213 0.000 2.792 316 T HA 0.422 4.776 4.350 0.007 0.000 0.280 316 T C -0.505 174.128 174.700 -0.111 0.000 0.990 316 T CA -0.407 61.606 62.100 -0.146 0.000 0.960 316 T CB 1.453 70.246 68.868 -0.125 0.000 0.939 316 T HN 0.601 nan 8.240 nan 0.000 0.439 317 Q N 3.955 123.691 119.800 -0.107 0.000 2.456 317 Q HA 0.392 4.736 4.340 0.007 0.000 0.252 317 Q C -2.776 173.160 176.000 -0.106 0.000 1.042 317 Q CA -2.334 53.412 55.803 -0.095 0.000 0.766 317 Q CB 0.923 29.593 28.738 -0.114 0.000 1.196 317 Q HN 0.243 nan 8.270 nan 0.000 0.504 318 P HA 0.127 nan 4.420 nan 0.000 0.269 318 P C -0.935 176.357 177.300 -0.012 0.000 1.215 318 P CA 0.165 63.237 63.100 -0.045 0.000 0.780 318 P CB 0.645 32.328 31.700 -0.028 0.000 0.898 319 L N 2.215 123.460 121.223 0.036 0.000 2.409 319 L HA 0.629 4.974 4.340 0.007 0.000 0.262 319 L C 0.270 177.298 176.870 0.262 0.000 0.992 319 L CA -0.794 54.135 54.840 0.148 0.000 0.817 319 L CB 2.218 44.398 42.059 0.203 0.000 1.350 319 L HN 0.429 nan 8.230 nan 0.000 0.411 320 K N 0.000 120.512 120.400 0.186 0.000 2.780 320 K HA 0.000 4.324 4.320 0.007 0.000 0.191 320 K CA 0.000 56.314 56.287 0.045 0.000 0.838 320 K CB 0.000 32.512 32.500 0.021 0.000 1.064 320 K HN 0.000 nan 8.250 nan 0.000 0.543