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 1gwb_1_B DATA FIRST_RESID 18 DATA SEQUENCE PIcEVSKVAS HLEVNcDKRN LTALPPDLPK DTTILHLSEN LLYTFSLATL DATA SEQUENCE MPYTRLTQLN LDRCELTKLQ VDGTLPVLGT LDLSHNQLQS LPLLGQTLPA DATA SEQUENCE LTVLDVSFNR LTSLPLGALR GLGELQELYL KGNELKTLPP GLLTPTPKLE DATA SEQUENCE KLSLANNNLT ELPAGLLNGL ENLDTLLLQE NSLYTIPKGF FGSHLLPFAF DATA SEQUENCE LHGNPWLcNc EILYFRRWLQ DNAENVYVWK QGVDVKAMTS NVASVQcDNS DATA SEQUENCE DKFPVYKYPG KGcPTLGDEG DTDLXDXXP 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.304 177.300 0.007 0.000 1.155 18 P CA 0.000 63.105 63.100 0.008 0.000 0.800 18 P CB 0.000 31.704 31.700 0.007 0.000 0.726 19 I N 0.991 121.566 120.570 0.009 0.000 2.151 19 I HA -0.115 4.055 4.170 0.000 0.000 0.243 19 I C 0.371 176.491 176.117 0.005 0.000 1.080 19 I CA 1.652 62.957 61.300 0.009 0.000 1.339 19 I CB -0.027 37.980 38.000 0.012 0.000 1.039 19 I HN 0.536 nan 8.210 nan 0.000 0.409 20 c N 0.902 119.503 118.600 0.002 0.000 2.802 20 c HA 0.474 5.044 4.570 0.000 0.000 0.307 20 c C -0.132 173.958 174.090 0.000 0.000 1.222 20 c CA -1.265 55.064 56.329 -0.001 0.000 1.580 20 c CB 1.539 44.044 42.510 -0.009 0.000 2.119 20 c HN 0.230 nan 8.230 nan 0.000 0.479 21 E N 0.756 120.959 120.200 0.004 0.000 2.383 21 E HA 0.316 4.666 4.350 0.000 0.000 0.264 21 E C -0.879 175.721 176.600 0.000 0.000 1.050 21 E CA 0.269 56.672 56.400 0.005 0.000 0.896 21 E CB 1.109 30.815 29.700 0.011 0.000 0.982 21 E HN 0.476 nan 8.360 nan 0.000 0.424 22 V N 3.250 123.164 119.914 -0.000 0.000 2.380 22 V HA 0.104 4.225 4.120 0.000 0.000 0.272 22 V C 0.312 176.405 176.094 -0.002 0.000 1.011 22 V CA -0.425 61.872 62.300 -0.005 0.000 0.826 22 V CB 0.980 32.800 31.823 -0.004 0.000 1.040 22 V HN 0.705 nan 8.190 nan 0.000 0.441 23 S N 3.122 118.821 115.700 -0.002 0.000 2.623 23 S HA 0.674 5.144 4.470 0.000 0.000 0.287 23 S C -0.022 174.576 174.600 -0.003 0.000 1.123 23 S CA -0.739 57.461 58.200 0.001 0.000 1.016 23 S CB 1.745 64.949 63.200 0.007 0.000 1.233 23 S HN 0.520 nan 8.310 nan 0.000 0.512 24 K N 1.048 121.445 120.400 -0.005 0.000 3.098 24 K HA 0.414 4.735 4.320 0.000 0.000 0.170 24 K C -1.296 175.287 176.600 -0.027 0.000 1.106 24 K CA -0.354 55.926 56.287 -0.012 0.000 0.864 24 K CB 0.455 32.945 32.500 -0.016 0.000 1.047 24 K HN 0.519 nan 8.250 nan 0.000 0.609 25 V N 2.401 122.308 119.914 -0.011 0.000 2.901 25 V HA 0.094 4.214 4.120 0.000 0.000 0.307 25 V C 1.458 177.501 176.094 -0.085 0.000 1.084 25 V CA 1.094 63.386 62.300 -0.014 0.000 1.184 25 V CB 0.439 32.282 31.823 0.034 0.000 0.941 25 V HN 0.972 nan 8.190 nan 0.000 0.493 26 A N 4.356 127.114 122.820 -0.103 0.000 5.123 26 A HA -0.305 4.015 4.320 0.000 0.000 0.337 26 A C 1.412 178.818 177.584 -0.296 0.000 1.775 26 A CA 1.912 53.821 52.037 -0.214 0.000 0.704 26 A CB -1.815 16.985 19.000 -0.333 0.000 1.426 26 A HN 1.340 nan 8.150 nan 0.000 0.391 27 S N -0.552 114.793 115.700 -0.592 0.000 2.993 27 S HA 0.319 4.789 4.470 0.000 0.000 0.257 27 S C -0.205 174.214 174.600 -0.302 0.000 0.997 27 S CA 0.162 58.146 58.200 -0.360 0.000 1.191 27 S CB -0.029 63.020 63.200 -0.252 0.000 1.143 27 S HN 0.762 nan 8.310 nan 0.000 0.655 28 H N 0.575 119.644 119.070 -0.002 0.000 2.544 28 H HA 0.430 4.986 4.556 0.000 0.000 0.342 28 H C -0.363 174.956 175.328 -0.015 0.000 1.185 28 H CA -0.651 55.393 56.048 -0.007 0.000 1.264 28 H CB 0.828 30.584 29.762 -0.010 0.000 1.607 28 H HN 0.178 nan 8.280 nan 0.000 0.550 29 L N 1.505 122.795 121.223 0.111 0.000 2.265 29 L HA 0.198 4.539 4.340 0.000 0.000 0.288 29 L C 0.237 177.110 176.870 0.005 0.000 1.058 29 L CA -0.290 54.575 54.840 0.040 0.000 0.809 29 L CB 0.461 42.539 42.059 0.032 0.000 1.179 29 L HN 0.640 nan 8.230 nan 0.000 0.429 30 E N 4.499 124.685 120.200 -0.023 0.000 2.158 30 E HA 0.354 4.704 4.350 0.000 0.000 0.271 30 E C -1.635 174.911 176.600 -0.089 0.000 0.911 30 E CA -0.745 55.600 56.400 -0.091 0.000 0.767 30 E CB 1.940 31.584 29.700 -0.095 0.000 1.120 30 E HN 0.402 nan 8.360 nan 0.000 0.405 31 V N 4.983 124.820 119.914 -0.129 0.000 2.350 31 V HA 0.167 4.287 4.120 0.000 0.000 0.276 31 V C -0.124 175.918 176.094 -0.087 0.000 1.028 31 V CA -0.832 61.412 62.300 -0.093 0.000 0.860 31 V CB 1.033 32.790 31.823 -0.110 0.000 0.990 31 V HN 0.597 nan 8.190 nan 0.000 0.453 32 N N 4.006 122.694 118.700 -0.020 0.000 2.527 32 N HA 0.224 4.964 4.740 0.000 0.000 0.236 32 N C -0.049 175.479 175.510 0.031 0.000 0.999 32 N CA -0.344 52.736 53.050 0.051 0.000 0.935 32 N CB 0.871 39.416 38.487 0.097 0.000 1.132 32 N HN 0.613 nan 8.380 nan 0.000 0.511 33 c N 2.218 120.833 118.600 0.026 0.000 2.563 33 c HA 0.238 4.808 4.570 0.000 0.000 0.307 33 c C 0.542 174.633 174.090 0.001 0.000 1.371 33 c CA -0.783 55.548 56.329 0.004 0.000 1.772 33 c CB -2.059 40.441 42.510 -0.015 0.000 2.283 33 c HN 0.684 nan 8.230 nan 0.000 0.570 34 D N 1.825 122.234 120.400 0.014 0.000 2.455 34 D HA 0.072 4.713 4.640 0.000 0.000 0.241 34 D C 0.113 176.396 176.300 -0.028 0.000 1.138 34 D CA 0.714 54.704 54.000 -0.017 0.000 0.877 34 D CB 0.436 41.216 40.800 -0.033 0.000 1.187 34 D HN 0.262 nan 8.370 nan 0.000 0.451 35 K N 2.239 122.614 120.400 -0.042 0.000 5.294 35 K HA -0.242 4.078 4.320 0.000 0.000 0.344 35 K C -0.307 176.277 176.600 -0.027 0.000 0.909 35 K CA 0.364 56.627 56.287 -0.039 0.000 1.081 35 K CB -0.297 32.178 32.500 -0.041 0.000 1.814 35 K HN 0.473 nan 8.250 nan 0.000 0.407 36 R N 0.926 121.411 120.500 -0.024 0.000 2.518 36 R HA 0.095 4.435 4.340 0.000 0.000 0.419 36 R C -0.570 175.724 176.300 -0.009 0.000 0.902 36 R CA -0.522 55.571 56.100 -0.013 0.000 1.146 36 R CB 0.307 30.602 30.300 -0.008 0.000 1.652 36 R HN 0.480 nan 8.270 nan 0.000 0.555 37 N N 0.866 119.555 118.700 -0.017 0.000 2.708 37 N HA -0.225 4.515 4.740 0.000 0.000 0.251 37 N C 0.562 176.074 175.510 0.003 0.000 1.017 37 N CA 0.643 53.687 53.050 -0.009 0.000 0.742 37 N CB -0.933 37.555 38.487 0.003 0.000 0.943 37 N HN 0.333 nan 8.380 nan 0.000 0.539 38 L N -1.258 119.963 121.223 -0.004 0.000 1.970 38 L HA -0.242 4.098 4.340 0.000 0.000 0.212 38 L C 1.918 178.810 176.870 0.035 0.000 1.071 38 L CA 2.235 57.082 54.840 0.012 0.000 0.751 38 L CB -0.357 41.705 42.059 0.005 0.000 0.889 38 L HN 0.549 nan 8.230 nan 0.000 0.432 39 T N -2.763 111.813 114.554 0.037 0.000 7.990 39 T HA -0.191 4.159 4.350 0.000 0.000 0.305 39 T C -0.045 174.720 174.700 0.109 0.000 2.080 39 T CA 1.093 63.245 62.100 0.086 0.000 3.423 39 T CB -0.903 68.025 68.868 0.099 0.000 1.630 39 T HN 0.806 nan 8.240 nan 0.000 0.911 40 A N -1.164 121.715 122.820 0.099 0.000 2.375 40 A HA 0.625 4.945 4.320 0.000 0.000 0.299 40 A C -1.078 176.580 177.584 0.123 0.000 1.044 40 A CA -0.321 51.799 52.037 0.138 0.000 0.585 40 A CB -0.259 18.809 19.000 0.114 0.000 1.438 40 A HN 0.430 nan 8.150 nan 0.000 0.574 41 L N 0.507 121.817 121.223 0.145 0.000 2.294 41 L HA 0.392 4.732 4.340 0.000 0.000 0.203 41 L C -1.906 175.006 176.870 0.071 0.000 1.150 41 L CA 0.643 55.550 54.840 0.112 0.000 0.847 41 L CB -1.086 41.050 42.059 0.128 0.000 1.231 41 L HN 0.660 nan 8.230 nan 0.000 0.568 42 P HA -0.106 nan 4.420 nan 0.000 0.016 42 P C -2.385 174.964 177.300 0.082 0.000 0.846 42 P CA 0.147 63.276 63.100 0.048 0.000 1.035 42 P CB -0.728 30.982 31.700 0.016 0.000 1.906 43 P HA 0.152 nan 4.420 nan 0.000 0.262 43 P C -0.174 177.196 177.300 0.117 0.000 1.651 43 P CA 0.442 63.605 63.100 0.105 0.000 1.119 43 P CB 0.317 32.059 31.700 0.070 0.000 1.552 44 D N -1.817 118.662 120.400 0.132 0.000 2.825 44 D HA 0.004 4.644 4.640 0.000 0.000 0.294 44 D C 0.233 176.617 176.300 0.141 0.000 1.651 44 D CA -0.258 53.819 54.000 0.129 0.000 0.847 44 D CB -0.726 40.119 40.800 0.075 0.000 1.389 44 D HN -0.129 nan 8.370 nan 0.000 0.426 45 L N 1.913 123.220 121.223 0.139 0.000 2.529 45 L HA 0.195 4.535 4.340 0.000 0.000 0.287 45 L C -1.732 175.245 176.870 0.180 0.000 1.241 45 L CA -0.479 54.391 54.840 0.051 0.000 0.857 45 L CB -0.869 41.061 42.059 -0.214 0.000 1.113 45 L HN 0.006 nan 8.230 nan 0.000 0.504 46 P HA 0.025 nan 4.420 nan 0.000 0.261 46 P C 0.298 177.723 177.300 0.209 0.000 1.203 46 P CA -0.303 62.871 63.100 0.123 0.000 0.767 46 P CB 0.575 32.313 31.700 0.064 0.000 0.785 47 K N 2.634 123.157 120.400 0.205 0.000 2.207 47 K HA -0.216 4.104 4.320 0.000 0.000 0.208 47 K C 1.143 177.854 176.600 0.184 0.000 1.046 47 K CA 1.776 58.173 56.287 0.183 0.000 0.929 47 K CB -0.765 31.759 32.500 0.039 0.000 0.720 47 K HN 0.455 nan 8.250 nan 0.000 0.463 48 D N -0.492 119.982 120.400 0.123 0.000 2.336 48 D HA -0.001 4.639 4.640 0.000 0.000 0.229 48 D C -0.653 175.696 176.300 0.082 0.000 1.061 48 D CA 0.193 54.246 54.000 0.089 0.000 0.875 48 D CB 0.077 40.913 40.800 0.059 0.000 0.904 48 D HN 0.075 nan 8.370 nan 0.000 0.525 49 T N -0.428 114.184 114.554 0.097 0.000 2.905 49 T HA -0.016 4.334 4.350 0.000 0.000 0.299 49 T C 1.326 176.038 174.700 0.020 0.000 1.024 49 T CA 0.464 62.580 62.100 0.026 0.000 1.151 49 T CB 1.321 70.157 68.868 -0.054 0.000 0.987 49 T HN 0.055 nan 8.240 nan 0.000 0.535 50 T N 2.386 116.936 114.554 -0.006 0.000 3.071 50 T HA 0.248 4.598 4.350 0.000 0.000 0.239 50 T C 0.737 175.401 174.700 -0.061 0.000 0.997 50 T CA -0.080 62.007 62.100 -0.022 0.000 1.134 50 T CB 0.183 69.046 68.868 -0.008 0.000 0.928 50 T HN 0.673 nan 8.240 nan 0.000 0.453 51 I N 1.565 122.080 120.570 -0.091 0.000 2.418 51 I HA 0.652 4.822 4.170 0.000 0.000 0.287 51 I C -1.909 174.049 176.117 -0.264 0.000 1.008 51 I CA -1.393 59.810 61.300 -0.162 0.000 1.104 51 I CB 1.595 39.494 38.000 -0.169 0.000 1.264 51 I HN -0.013 nan 8.210 nan 0.000 0.438 52 L N 8.045 129.126 121.223 -0.237 0.000 2.325 52 L HA 0.523 4.863 4.340 0.000 0.000 0.281 52 L C -1.298 175.478 176.870 -0.157 0.000 1.004 52 L CA -0.058 54.647 54.840 -0.225 0.000 0.823 52 L CB 1.235 43.192 42.059 -0.169 0.000 1.236 52 L HN 0.611 nan 8.230 nan 0.000 0.415 53 H N 5.871 124.899 119.070 -0.071 0.000 2.519 53 H HA 0.437 4.994 4.556 0.000 0.000 0.316 53 H C 0.163 175.436 175.328 -0.092 0.000 1.065 53 H CA -0.491 55.513 56.048 -0.072 0.000 1.264 53 H CB 1.527 31.259 29.762 -0.051 0.000 1.413 53 H HN 0.618 nan 8.280 nan 0.000 0.465 54 L N 2.219 123.448 121.223 0.009 0.000 3.184 54 L HA 0.171 4.511 4.340 0.000 0.000 0.283 54 L C 0.239 177.056 176.870 -0.088 0.000 1.218 54 L CA -0.008 54.787 54.840 -0.074 0.000 1.028 54 L CB 0.708 42.660 42.059 -0.179 0.000 1.400 54 L HN 0.491 nan 8.230 nan 0.000 0.591 55 S N 0.477 116.137 115.700 -0.067 0.000 2.563 55 S HA -0.031 4.439 4.470 0.000 0.000 0.269 55 S C 0.466 175.016 174.600 -0.083 0.000 1.364 55 S CA -0.025 58.125 58.200 -0.083 0.000 1.010 55 S CB 0.160 63.300 63.200 -0.099 0.000 0.877 55 S HN 0.384 nan 8.310 nan 0.000 0.549 56 E N 0.674 120.821 120.200 -0.087 0.000 2.197 56 E HA -0.255 4.095 4.350 0.000 0.000 0.184 56 E C -0.538 176.012 176.600 -0.084 0.000 1.439 56 E CA 0.286 56.635 56.400 -0.086 0.000 0.688 56 E CB -1.324 28.327 29.700 -0.081 0.000 1.090 56 E HN 0.363 nan 8.360 nan 0.000 0.341 57 N N 0.392 119.030 118.700 -0.103 0.000 2.455 57 N HA 0.339 5.080 4.740 0.000 0.000 0.278 57 N C -0.934 174.473 175.510 -0.172 0.000 1.291 57 N CA -0.775 52.212 53.050 -0.106 0.000 0.780 57 N CB 1.150 39.584 38.487 -0.089 0.000 1.520 57 N HN -0.045 nan 8.380 nan 0.000 0.486 58 L N 2.815 123.928 121.223 -0.183 0.000 2.352 58 L HA 0.341 4.681 4.340 0.000 0.000 0.272 58 L C 1.258 177.863 176.870 -0.442 0.000 1.109 58 L CA 0.253 54.858 54.840 -0.391 0.000 0.952 58 L CB -0.574 41.375 42.059 -0.183 0.000 1.314 58 L HN 0.503 nan 8.230 nan 0.000 0.427 59 L N 1.551 122.492 121.223 -0.470 0.000 2.362 59 L HA 0.024 4.364 4.340 0.000 0.000 0.204 59 L C 1.077 177.920 176.870 -0.045 0.000 1.060 59 L CA 0.336 55.076 54.840 -0.166 0.000 0.827 59 L CB -0.080 41.951 42.059 -0.048 0.000 1.027 59 L HN 0.439 nan 8.230 nan 0.000 0.474 60 Y N -1.063 119.273 120.300 0.060 0.000 2.777 60 Y HA -0.420 4.130 4.550 0.000 0.000 0.489 60 Y C 1.055 177.000 175.900 0.076 0.000 1.088 60 Y CA 1.615 59.749 58.100 0.057 0.000 2.968 60 Y CB -1.355 37.133 38.460 0.046 0.000 0.892 60 Y HN 0.362 nan 8.280 nan 0.000 0.556 61 T N -1.037 113.674 114.554 0.262 0.000 2.912 61 T HA 0.609 4.959 4.350 0.000 0.000 0.299 61 T C -1.709 173.147 174.700 0.261 0.000 1.052 61 T CA -0.459 61.764 62.100 0.206 0.000 0.996 61 T CB 1.573 70.531 68.868 0.151 0.000 1.070 61 T HN 0.234 nan 8.240 nan 0.000 0.465 62 F N 2.743 122.722 119.950 0.048 0.000 2.569 62 F HA 0.684 5.211 4.527 0.000 0.000 0.312 62 F C -0.514 175.308 175.800 0.036 0.000 1.109 62 F CA -0.680 57.343 58.000 0.038 0.000 0.919 62 F CB 2.394 41.411 39.000 0.027 0.000 1.211 62 F HN 0.532 nan 8.300 nan 0.000 0.446 63 S N 5.692 120.917 115.700 -0.792 0.000 2.448 63 S HA 0.318 4.788 4.470 0.000 0.000 0.320 63 S C 0.720 174.949 174.600 -0.619 0.000 1.071 63 S CA -0.571 57.324 58.200 -0.509 0.000 1.113 63 S CB 0.571 63.575 63.200 -0.327 0.000 0.972 63 S HN 0.744 nan 8.310 nan 0.000 0.465 64 L N 5.397 126.482 121.223 -0.231 0.000 2.261 64 L HA 0.021 4.361 4.340 0.000 0.000 0.216 64 L C 2.401 179.234 176.870 -0.060 0.000 1.114 64 L CA 1.945 56.757 54.840 -0.046 0.000 0.777 64 L CB -1.044 41.044 42.059 0.047 0.000 0.910 64 L HN 0.841 nan 8.230 nan 0.000 0.440 65 A N -1.029 121.727 122.820 -0.107 0.000 1.873 65 A HA -0.230 4.090 4.320 0.000 0.000 0.215 65 A C 2.345 179.891 177.584 -0.064 0.000 1.186 65 A CA 2.110 54.106 52.037 -0.068 0.000 0.616 65 A CB -1.207 17.750 19.000 -0.071 0.000 0.823 65 A HN 0.530 nan 8.150 nan 0.000 0.442 66 T N -1.332 113.146 114.554 -0.128 0.000 2.896 66 T HA -0.134 4.217 4.350 0.000 0.000 0.270 66 T C 1.454 176.202 174.700 0.081 0.000 1.104 66 T CA 1.696 63.757 62.100 -0.065 0.000 1.115 66 T CB -0.564 68.212 68.868 -0.152 0.000 0.843 66 T HN 0.322 nan 8.240 nan 0.000 0.523 67 L N -0.331 120.961 121.223 0.114 0.000 2.567 67 L HA 0.249 4.589 4.340 0.000 0.000 0.225 67 L C 3.481 180.483 176.870 0.219 0.000 1.119 67 L CA 0.574 55.600 54.840 0.310 0.000 0.871 67 L CB -0.835 41.398 42.059 0.290 0.000 1.036 67 L HN 0.381 nan 8.230 nan 0.000 0.459 68 M N 0.704 120.341 119.600 0.062 0.000 2.116 68 M HA -0.167 4.313 4.480 0.000 0.000 0.255 68 M C 0.157 176.404 176.300 -0.089 0.000 1.075 68 M CA 2.777 58.074 55.300 -0.005 0.000 1.087 68 M CB -2.869 29.713 32.600 -0.029 0.000 1.340 68 M HN 0.163 nan 8.290 nan 0.000 0.402 69 P HA -0.141 nan 4.420 nan 0.000 0.220 69 P C -0.288 176.721 177.300 -0.484 0.000 1.148 69 P CA 0.900 63.745 63.100 -0.425 0.000 0.803 69 P CB -0.637 30.694 31.700 -0.615 0.000 0.782 70 Y N 0.740 121.048 120.300 0.014 0.000 2.568 70 Y HA 0.129 4.679 4.550 0.000 0.000 0.338 70 Y C 1.941 177.847 175.900 0.010 0.000 1.245 70 Y CA -0.091 58.017 58.100 0.014 0.000 1.667 70 Y CB -0.764 37.708 38.460 0.021 0.000 1.568 70 Y HN -0.178 nan 8.280 nan 0.000 0.471 71 T N 0.573 115.158 114.554 0.052 0.000 2.849 71 T HA -0.167 4.183 4.350 0.000 0.000 0.270 71 T C 1.630 176.358 174.700 0.047 0.000 1.066 71 T CA 1.413 63.534 62.100 0.035 0.000 1.130 71 T CB -0.111 68.760 68.868 0.005 0.000 0.864 71 T HN 0.545 nan 8.240 nan 0.000 0.481 72 R N 0.330 120.868 120.500 0.064 0.000 2.466 72 R HA 0.328 4.668 4.340 0.000 0.000 0.279 72 R C -0.031 176.289 176.300 0.033 0.000 0.976 72 R CA -0.224 55.900 56.100 0.041 0.000 1.081 72 R CB 0.053 30.376 30.300 0.038 0.000 1.215 72 R HN 0.337 nan 8.270 nan 0.000 0.546 73 L N 0.902 122.160 121.223 0.059 0.000 2.462 73 L HA -0.017 4.324 4.340 0.000 0.000 0.272 73 L C 0.491 177.365 176.870 0.007 0.000 1.166 73 L CA 0.931 55.795 54.840 0.040 0.000 0.880 73 L CB 1.157 43.264 42.059 0.079 0.000 1.142 73 L HN 0.178 nan 8.230 nan 0.000 0.473 74 T N 2.483 117.023 114.554 -0.024 0.000 3.019 74 T HA 0.129 4.479 4.350 0.000 0.000 0.247 74 T C 0.069 174.753 174.700 -0.026 0.000 0.992 74 T CA 0.169 62.246 62.100 -0.039 0.000 1.036 74 T CB 0.458 69.270 68.868 -0.092 0.000 1.063 74 T HN 0.540 nan 8.240 nan 0.000 0.476 75 Q N 0.979 120.761 119.800 -0.031 0.000 2.337 75 Q HA 0.649 4.989 4.340 0.000 0.000 0.270 75 Q C -1.879 174.114 176.000 -0.012 0.000 1.043 75 Q CA -0.718 55.079 55.803 -0.009 0.000 0.794 75 Q CB 2.968 31.706 28.738 0.000 0.000 1.281 75 Q HN 0.106 nan 8.270 nan 0.000 0.446 76 L N 2.704 123.933 121.223 0.011 0.000 2.381 76 L HA 0.496 4.836 4.340 0.000 0.000 0.274 76 L C -1.488 175.390 176.870 0.013 0.000 0.988 76 L CA -0.176 54.663 54.840 -0.001 0.000 0.824 76 L CB 1.705 43.767 42.059 0.005 0.000 1.263 76 L HN 0.536 nan 8.230 nan 0.000 0.410 77 N N 6.241 124.954 118.700 0.022 0.000 2.518 77 N HA 0.378 5.118 4.740 0.000 0.000 0.254 77 N C -0.603 174.867 175.510 -0.067 0.000 0.979 77 N CA -0.218 52.845 53.050 0.021 0.000 0.930 77 N CB 1.889 40.444 38.487 0.113 0.000 1.152 77 N HN 0.644 nan 8.380 nan 0.000 0.505 78 L N 1.077 122.240 121.223 -0.100 0.000 3.094 78 L HA 0.219 4.559 4.340 0.000 0.000 0.254 78 L C 0.221 177.041 176.870 -0.083 0.000 1.298 78 L CA -0.411 54.331 54.840 -0.164 0.000 1.050 78 L CB -0.071 41.852 42.059 -0.227 0.000 1.420 78 L HN 0.270 nan 8.230 nan 0.000 0.548 79 D N 1.710 122.082 120.400 -0.047 0.000 2.487 79 D HA 0.026 4.666 4.640 0.000 0.000 0.243 79 D C 0.419 176.711 176.300 -0.015 0.000 1.154 79 D CA 0.335 54.334 54.000 -0.001 0.000 0.876 79 D CB 0.459 41.252 40.800 -0.011 0.000 1.161 79 D HN 0.104 nan 8.370 nan 0.000 0.478 80 R N 2.265 122.786 120.500 0.036 0.000 3.127 80 R HA -0.182 4.158 4.340 0.000 0.000 0.247 80 R C -0.195 176.068 176.300 -0.062 0.000 0.896 80 R CA 0.246 56.341 56.100 -0.008 0.000 0.624 80 R CB -2.173 28.086 30.300 -0.068 0.000 1.154 80 R HN 0.369 nan 8.270 nan 0.000 0.474 81 C N 0.735 119.992 119.300 -0.072 0.000 2.976 81 C HA 0.139 4.599 4.460 0.000 0.000 0.274 81 C C 0.505 175.385 174.990 -0.183 0.000 1.487 81 C CA -0.463 58.474 59.018 -0.136 0.000 1.789 81 C CB -0.097 27.556 27.740 -0.145 0.000 2.771 81 C HN 0.719 nan 8.230 nan 0.000 0.551 82 E N 0.227 120.356 120.200 -0.118 0.000 2.539 82 E HA -0.205 4.145 4.350 0.000 0.000 0.253 82 E C -0.092 176.485 176.600 -0.038 0.000 1.145 82 E CA 0.590 56.933 56.400 -0.094 0.000 0.738 82 E CB -1.504 28.058 29.700 -0.230 0.000 1.308 82 E HN 0.683 nan 8.360 nan 0.000 0.409 83 L N 0.982 122.197 121.223 -0.013 0.000 2.455 83 L HA 0.052 4.392 4.340 0.000 0.000 0.272 83 L C 2.012 178.929 176.870 0.079 0.000 1.174 83 L CA 1.237 56.103 54.840 0.044 0.000 0.869 83 L CB 0.510 42.592 42.059 0.039 0.000 1.130 83 L HN 0.236 nan 8.230 nan 0.000 0.474 84 T N -1.223 113.398 114.554 0.111 0.000 2.978 84 T HA 0.180 4.530 4.350 0.000 0.000 0.248 84 T C 0.543 175.291 174.700 0.080 0.000 1.018 84 T CA -0.114 62.043 62.100 0.096 0.000 1.026 84 T CB 0.629 69.563 68.868 0.110 0.000 1.032 84 T HN 0.223 nan 8.240 nan 0.000 0.485 85 K N 0.894 121.350 120.400 0.093 0.000 2.565 85 K HA 0.552 4.872 4.320 0.000 0.000 0.251 85 K C -2.166 174.493 176.600 0.099 0.000 0.956 85 K CA -0.781 55.554 56.287 0.079 0.000 0.809 85 K CB 2.406 34.946 32.500 0.066 0.000 1.267 85 K HN 0.259 nan 8.250 nan 0.000 0.438 86 L N 3.416 124.693 121.223 0.090 0.000 2.296 86 L HA 0.439 4.779 4.340 0.000 0.000 0.286 86 L C -0.627 176.288 176.870 0.076 0.000 1.023 86 L CA 0.024 54.933 54.840 0.116 0.000 0.812 86 L CB 1.381 43.511 42.059 0.117 0.000 1.223 86 L HN 0.477 nan 8.230 nan 0.000 0.421 87 Q N 4.393 124.229 119.800 0.059 0.000 2.360 87 Q HA 0.426 4.766 4.340 0.000 0.000 0.254 87 Q C -0.830 175.179 176.000 0.014 0.000 0.975 87 Q CA -0.750 55.066 55.803 0.021 0.000 0.912 87 Q CB 1.904 30.638 28.738 -0.006 0.000 1.212 87 Q HN 0.493 nan 8.270 nan 0.000 0.452 88 V N 3.696 123.621 119.914 0.018 0.000 2.470 88 V HA 0.103 4.223 4.120 0.000 0.000 0.276 88 V C -0.215 175.881 176.094 0.003 0.000 1.040 88 V CA 0.082 62.392 62.300 0.017 0.000 1.008 88 V CB 0.676 32.510 31.823 0.019 0.000 0.990 88 V HN 0.752 nan 8.190 nan 0.000 0.477 89 D N 4.376 124.777 120.400 0.002 0.000 2.381 89 D HA 0.176 4.816 4.640 0.000 0.000 0.245 89 D C 1.189 177.490 176.300 0.002 0.000 1.297 89 D CA -0.270 53.726 54.000 -0.006 0.000 0.931 89 D CB 1.538 42.325 40.800 -0.022 0.000 1.334 89 D HN 0.683 nan 8.370 nan 0.000 0.535 90 G N 2.291 111.094 108.800 0.004 0.000 5.258 90 G HA2 -0.341 3.619 3.960 0.000 0.000 0.224 90 G HA3 -0.341 3.619 3.960 0.000 0.000 0.224 90 G C 1.058 175.963 174.900 0.009 0.000 0.971 90 G CA 1.845 46.949 45.100 0.006 0.000 0.533 90 G HN 0.534 nan 8.290 nan 0.000 0.882 91 T N -2.694 111.868 114.554 0.013 0.000 3.018 91 T HA 0.444 4.794 4.350 0.000 0.000 0.338 91 T C 1.085 175.802 174.700 0.027 0.000 1.208 91 T CA -0.024 62.086 62.100 0.016 0.000 0.963 91 T CB 0.294 69.173 68.868 0.019 0.000 1.697 91 T HN 0.924 nan 8.240 nan 0.000 0.560 92 L N -0.789 120.456 121.223 0.037 0.000 3.597 92 L HA -0.077 4.264 4.340 0.000 0.000 0.440 92 L C -1.592 175.294 176.870 0.027 0.000 1.277 92 L CA -0.022 54.844 54.840 0.043 0.000 0.852 92 L CB -1.837 40.256 42.059 0.057 0.000 1.708 92 L HN 0.631 nan 8.230 nan 0.000 0.885 93 P HA -0.024 nan 4.420 nan 0.000 0.242 93 P C 1.094 178.400 177.300 0.009 0.000 1.197 93 P CA 1.396 64.503 63.100 0.011 0.000 0.765 93 P CB 0.328 32.032 31.700 0.007 0.000 0.936 94 V N -4.917 115.004 119.914 0.012 0.000 3.382 94 V HA 0.229 4.349 4.120 0.000 0.000 0.296 94 V C 0.595 176.691 176.094 0.003 0.000 1.529 94 V CA -0.421 61.881 62.300 0.005 0.000 1.048 94 V CB -0.106 31.718 31.823 0.002 0.000 0.878 94 V HN -0.107 nan 8.190 nan 0.000 0.442 95 L N 2.653 123.884 121.223 0.013 0.000 2.559 95 L HA 0.331 4.671 4.340 0.000 0.000 0.274 95 L C 1.309 178.184 176.870 0.008 0.000 1.205 95 L CA 1.674 56.523 54.840 0.015 0.000 0.907 95 L CB 0.987 43.064 42.059 0.030 0.000 1.153 95 L HN 0.390 nan 8.230 nan 0.000 0.490 96 G N 3.417 112.218 108.800 0.001 0.000 2.673 96 G HA2 0.015 3.975 3.960 0.000 0.000 0.208 96 G HA3 0.015 3.975 3.960 0.000 0.000 0.208 96 G C 0.387 175.294 174.900 0.012 0.000 1.128 96 G CA 0.729 45.831 45.100 0.002 0.000 0.805 96 G HN 0.649 nan 8.290 nan 0.000 0.526 97 T N -1.633 112.932 114.554 0.018 0.000 2.916 97 T HA 0.654 5.004 4.350 0.000 0.000 0.298 97 T C -1.527 173.194 174.700 0.035 0.000 1.031 97 T CA -0.719 61.401 62.100 0.033 0.000 0.993 97 T CB 2.496 71.392 68.868 0.046 0.000 1.045 97 T HN 0.172 nan 8.240 nan 0.000 0.454 98 L N 2.301 123.548 121.223 0.039 0.000 2.381 98 L HA 0.714 5.054 4.340 0.000 0.000 0.274 98 L C -1.458 175.435 176.870 0.039 0.000 0.988 98 L CA -0.286 54.574 54.840 0.034 0.000 0.824 98 L CB 1.966 44.044 42.059 0.033 0.000 1.263 98 L HN 0.838 nan 8.230 nan 0.000 0.410 99 D N 4.705 125.123 120.400 0.030 0.000 2.460 99 D HA 0.316 4.956 4.640 0.000 0.000 0.232 99 D C 0.225 176.532 176.300 0.012 0.000 1.079 99 D CA -0.081 53.937 54.000 0.030 0.000 0.864 99 D CB 0.916 41.735 40.800 0.032 0.000 1.048 99 D HN 0.638 nan 8.370 nan 0.000 0.523 100 L N 1.938 123.170 121.223 0.015 0.000 2.640 100 L HA 0.158 4.498 4.340 0.000 0.000 0.230 100 L C 1.254 178.135 176.870 0.019 0.000 1.123 100 L CA -0.267 54.579 54.840 0.009 0.000 0.900 100 L CB 0.090 42.157 42.059 0.013 0.000 1.146 100 L HN 0.259 nan 8.230 nan 0.000 0.484 101 S N 0.250 115.960 115.700 0.016 0.000 2.554 101 S HA -0.132 4.338 4.470 0.000 0.000 0.290 101 S C 0.657 175.309 174.600 0.087 0.000 1.309 101 S CA 0.153 58.349 58.200 -0.006 0.000 1.047 101 S CB -0.097 63.090 63.200 -0.022 0.000 0.828 101 S HN 0.547 nan 8.310 nan 0.000 0.509 102 H N 1.536 120.697 119.070 0.152 0.000 2.827 102 H HA -0.103 4.453 4.556 0.000 0.000 0.330 102 H C -0.320 175.032 175.328 0.041 0.000 1.236 102 H CA 0.993 57.103 56.048 0.103 0.000 1.165 102 H CB -1.996 27.787 29.762 0.034 0.000 1.532 102 H HN 0.602 nan 8.280 nan 0.000 0.434 103 N N 0.203 118.978 118.700 0.125 0.000 3.157 103 N HA 0.192 4.932 4.740 0.000 0.000 0.291 103 N C 0.344 175.896 175.510 0.070 0.000 1.515 103 N CA -0.662 52.433 53.050 0.075 0.000 0.807 103 N CB 0.961 39.476 38.487 0.047 0.000 1.672 103 N HN 0.138 nan 8.380 nan 0.000 0.592 104 Q N 1.098 120.934 119.800 0.060 0.000 2.465 104 Q HA 0.364 4.704 4.340 0.000 0.000 0.361 104 Q C -0.398 175.632 176.000 0.051 0.000 0.957 104 Q CA -0.110 55.728 55.803 0.059 0.000 1.065 104 Q CB 0.166 28.944 28.738 0.067 0.000 1.274 104 Q HN 0.355 nan 8.270 nan 0.000 0.421 105 L N 1.376 122.624 121.223 0.042 0.000 2.319 105 L HA 0.096 4.436 4.340 0.000 0.000 0.280 105 L C 1.538 178.422 176.870 0.024 0.000 1.099 105 L CA -0.102 54.759 54.840 0.034 0.000 0.828 105 L CB 0.842 42.917 42.059 0.027 0.000 1.150 105 L HN 0.158 nan 8.230 nan 0.000 0.442 106 Q N 1.460 121.275 119.800 0.024 0.000 2.331 106 Q HA 0.045 4.385 4.340 0.000 0.000 0.203 106 Q C 0.274 176.279 176.000 0.007 0.000 0.944 106 Q CA 0.408 56.220 55.803 0.016 0.000 0.892 106 Q CB 0.658 29.407 28.738 0.018 0.000 0.983 106 Q HN 0.793 nan 8.270 nan 0.000 0.482 107 S N -0.458 115.247 115.700 0.008 0.000 2.564 107 S HA 0.503 4.973 4.470 0.000 0.000 0.274 107 S C -0.916 173.685 174.600 0.001 0.000 1.124 107 S CA -1.026 57.175 58.200 0.002 0.000 0.869 107 S CB 1.721 64.923 63.200 0.004 0.000 1.105 107 S HN 0.111 nan 8.310 nan 0.000 0.472 108 L N 3.357 124.576 121.223 -0.006 0.000 2.315 108 L HA 0.494 4.834 4.340 0.000 0.000 0.283 108 L C -2.199 174.670 176.870 -0.001 0.000 1.089 108 L CA -1.404 53.431 54.840 -0.007 0.000 0.833 108 L CB 0.255 42.303 42.059 -0.018 0.000 1.170 108 L HN 0.548 nan 8.230 nan 0.000 0.442 109 P HA 0.059 nan 4.420 nan 0.000 0.271 109 P C -0.994 176.310 177.300 0.006 0.000 1.216 109 P CA -0.141 62.966 63.100 0.012 0.000 0.776 109 P CB 0.640 32.355 31.700 0.025 0.000 0.881 110 L N 3.972 125.198 121.223 0.005 0.000 2.312 110 L HA 0.196 4.536 4.340 0.000 0.000 0.287 110 L C 1.547 178.420 176.870 0.005 0.000 1.091 110 L CA -0.293 54.547 54.840 0.001 0.000 0.846 110 L CB 0.023 42.081 42.059 -0.001 0.000 1.219 110 L HN 0.336 nan 8.230 nan 0.000 0.439 111 L N 2.279 123.504 121.223 0.004 0.000 2.463 111 L HA 0.129 4.470 4.340 0.000 0.000 0.219 111 L C 2.487 179.359 176.870 0.004 0.000 1.088 111 L CA 0.496 55.341 54.840 0.008 0.000 0.849 111 L CB -0.280 41.786 42.059 0.011 0.000 1.012 111 L HN 0.800 nan 8.230 nan 0.000 0.468 112 G N 0.342 109.141 108.800 -0.002 0.000 2.597 112 G HA2 -0.358 3.602 3.960 0.000 0.000 0.222 112 G HA3 -0.358 3.602 3.960 0.000 0.000 0.222 112 G C 1.510 176.408 174.900 -0.003 0.000 1.135 112 G CA 1.042 46.139 45.100 -0.005 0.000 0.759 112 G HN 0.294 nan 8.290 nan 0.000 0.595 113 Q N -0.608 119.192 119.800 -0.001 0.000 2.331 113 Q HA 0.081 4.421 4.340 0.000 0.000 0.203 113 Q C 2.775 178.777 176.000 0.002 0.000 0.944 113 Q CA 1.576 57.379 55.803 -0.001 0.000 0.892 113 Q CB -0.030 28.707 28.738 -0.001 0.000 0.983 113 Q HN 0.670 nan 8.270 nan 0.000 0.482 114 T N -3.784 110.774 114.554 0.006 0.000 2.990 114 T HA 0.230 4.580 4.350 0.000 0.000 0.250 114 T C 0.650 175.359 174.700 0.015 0.000 1.041 114 T CA -0.034 62.072 62.100 0.010 0.000 1.010 114 T CB 0.241 69.118 68.868 0.014 0.000 1.003 114 T HN 0.102 nan 8.240 nan 0.000 0.499 115 L N 2.193 123.424 121.223 0.013 0.000 2.960 115 L HA 0.378 4.719 4.340 0.000 0.000 0.274 115 L C -1.686 175.188 176.870 0.007 0.000 1.327 115 L CA -1.828 53.020 54.840 0.014 0.000 0.860 115 L CB 1.101 43.171 42.059 0.019 0.000 1.239 115 L HN 0.015 nan 8.230 nan 0.000 0.551 116 P HA -0.232 nan 4.420 nan 0.000 0.217 116 P C 1.266 178.565 177.300 -0.002 0.000 1.148 116 P CA 1.498 64.598 63.100 -0.001 0.000 0.828 116 P CB 0.465 32.164 31.700 -0.001 0.000 0.783 117 A N -0.397 122.424 122.820 0.001 0.000 2.208 117 A HA 0.066 4.386 4.320 0.000 0.000 0.209 117 A C 1.288 178.871 177.584 -0.001 0.000 1.161 117 A CA -0.145 51.892 52.037 -0.001 0.000 0.782 117 A CB -0.856 18.144 19.000 0.000 0.000 0.816 117 A HN 0.146 nan 8.150 nan 0.000 0.477 118 L N 1.751 122.974 121.223 0.000 0.000 2.640 118 L HA -0.034 4.306 4.340 0.000 0.000 0.280 118 L C 1.412 178.279 176.870 -0.006 0.000 1.229 118 L CA 1.753 56.593 54.840 0.000 0.000 0.919 118 L CB 0.623 42.683 42.059 0.001 0.000 1.168 118 L HN 0.569 nan 8.230 nan 0.000 0.496 119 T N 0.994 115.546 114.554 -0.003 0.000 2.964 119 T HA 0.159 4.509 4.350 0.000 0.000 0.249 119 T C 0.261 174.954 174.700 -0.012 0.000 1.000 119 T CA 0.386 62.482 62.100 -0.007 0.000 0.992 119 T CB 0.366 69.234 68.868 0.001 0.000 1.087 119 T HN 0.433 nan 8.240 nan 0.000 0.489 120 V N 0.367 120.282 119.914 0.002 0.000 2.668 120 V HA 0.838 4.958 4.120 0.000 0.000 0.304 120 V C -1.836 174.272 176.094 0.022 0.000 1.071 120 V CA -1.288 61.017 62.300 0.007 0.000 0.894 120 V CB 1.804 33.672 31.823 0.073 0.000 1.008 120 V HN 0.358 nan 8.190 nan 0.000 0.425 121 L N 4.537 125.756 121.223 -0.007 0.000 2.356 121 L HA 0.869 5.209 4.340 0.000 0.000 0.277 121 L C -1.110 175.790 176.870 0.050 0.000 0.996 121 L CA 0.240 55.086 54.840 0.011 0.000 0.822 121 L CB 1.795 43.841 42.059 -0.022 0.000 1.256 121 L HN 0.910 nan 8.230 nan 0.000 0.413 122 D N 3.828 124.281 120.400 0.088 0.000 2.440 122 D HA 0.339 4.979 4.640 0.000 0.000 0.252 122 D C -0.547 175.771 176.300 0.030 0.000 1.180 122 D CA -0.178 53.897 54.000 0.126 0.000 0.894 122 D CB 1.516 42.410 40.800 0.156 0.000 1.111 122 D HN 0.324 nan 8.370 nan 0.000 0.544 123 V N 2.591 122.499 119.914 -0.010 0.000 3.085 123 V HA 0.129 4.249 4.120 0.000 0.000 0.345 123 V C 0.902 176.932 176.094 -0.106 0.000 1.397 123 V CA -0.354 61.922 62.300 -0.042 0.000 1.165 123 V CB -0.464 31.339 31.823 -0.034 0.000 1.153 123 V HN 0.561 nan 8.190 nan 0.000 0.495 124 S N -0.272 115.320 115.700 -0.179 0.000 2.584 124 S HA 0.466 4.936 4.470 0.000 0.000 0.270 124 S C 0.021 174.390 174.600 -0.384 0.000 1.346 124 S CA -0.306 57.647 58.200 -0.411 0.000 1.018 124 S CB 0.068 62.881 63.200 -0.644 0.000 0.899 124 S HN 0.395 nan 8.310 nan 0.000 0.542 125 F N 0.147 119.977 119.950 -0.200 0.000 2.807 125 F HA -0.162 4.365 4.527 0.000 0.000 0.297 125 F C 0.451 176.189 175.800 -0.103 0.000 1.024 125 F CA 0.306 58.194 58.000 -0.187 0.000 1.008 125 F CB -2.356 36.408 39.000 -0.393 0.000 1.142 125 F HN 0.760 nan 8.300 nan 0.000 0.829 126 N N -0.225 118.502 118.700 0.045 0.000 3.566 126 N HA 0.572 5.312 4.740 0.000 0.000 0.354 126 N C 0.057 175.587 175.510 0.032 0.000 1.632 126 N CA -0.865 52.209 53.050 0.040 0.000 0.690 126 N CB 1.007 39.497 38.487 0.006 0.000 2.273 126 N HN 0.089 nan 8.380 nan 0.000 0.643 127 R N 0.678 121.190 120.500 0.020 0.000 2.816 127 R HA 0.448 4.788 4.340 0.000 0.000 0.382 127 R C -0.646 175.654 176.300 0.000 0.000 1.140 127 R CA -0.188 55.921 56.100 0.015 0.000 1.050 127 R CB -0.145 30.169 30.300 0.023 0.000 1.396 127 R HN 0.320 nan 8.270 nan 0.000 0.583 128 L N 0.299 121.514 121.223 -0.015 0.000 2.416 128 L HA 0.192 4.532 4.340 0.000 0.000 0.272 128 L C 1.332 178.187 176.870 -0.025 0.000 1.161 128 L CA 0.185 55.012 54.840 -0.022 0.000 0.845 128 L CB 1.127 43.164 42.059 -0.037 0.000 1.119 128 L HN 0.338 nan 8.230 nan 0.000 0.464 129 T N -2.826 111.715 114.554 -0.021 0.000 3.004 129 T HA 0.184 4.534 4.350 0.000 0.000 0.266 129 T C 0.348 175.033 174.700 -0.026 0.000 0.986 129 T CA 0.227 62.314 62.100 -0.022 0.000 0.902 129 T CB 0.454 69.314 68.868 -0.014 0.000 1.118 129 T HN 0.603 nan 8.240 nan 0.000 0.522 130 S N 0.059 115.744 115.700 -0.026 0.000 2.595 130 S HA 0.629 5.099 4.470 0.000 0.000 0.270 130 S C -2.366 172.217 174.600 -0.028 0.000 1.145 130 S CA -1.001 57.182 58.200 -0.028 0.000 0.825 130 S CB 0.863 64.050 63.200 -0.022 0.000 1.107 130 S HN 0.316 nan 8.310 nan 0.000 0.461 131 L N 2.598 123.803 121.223 -0.029 0.000 2.381 131 L HA 0.596 4.936 4.340 0.000 0.000 0.274 131 L C -2.213 174.643 176.870 -0.025 0.000 0.988 131 L CA -2.099 52.724 54.840 -0.029 0.000 0.824 131 L CB 2.428 44.466 42.059 -0.035 0.000 1.263 131 L HN 0.612 nan 8.230 nan 0.000 0.410 132 P HA 0.031 nan 4.420 nan 0.000 0.269 132 P C 0.779 178.067 177.300 -0.020 0.000 1.209 132 P CA -0.519 62.571 63.100 -0.018 0.000 0.776 132 P CB 0.925 32.616 31.700 -0.015 0.000 0.876 133 L N 2.004 123.216 121.223 -0.019 0.000 2.051 133 L HA -0.144 4.196 4.340 0.000 0.000 0.214 133 L C 1.974 178.831 176.870 -0.021 0.000 1.076 133 L CA 2.663 57.490 54.840 -0.020 0.000 0.758 133 L CB -2.600 39.448 42.059 -0.018 0.000 0.890 133 L HN 0.594 nan 8.230 nan 0.000 0.433 134 G N -1.783 107.006 108.800 -0.019 0.000 3.959 134 G HA2 0.407 4.367 3.960 0.000 0.000 0.298 134 G HA3 0.407 4.367 3.960 0.000 0.000 0.298 134 G C 1.360 176.249 174.900 -0.019 0.000 1.211 134 G CA 0.464 45.553 45.100 -0.019 0.000 1.001 134 G HN 0.364 nan 8.290 nan 0.000 0.561 135 A N 0.816 123.623 122.820 -0.021 0.000 1.849 135 A HA -0.040 4.280 4.320 0.000 0.000 0.217 135 A C 2.031 179.601 177.584 -0.022 0.000 1.202 135 A CA 0.961 52.985 52.037 -0.021 0.000 0.629 135 A CB -0.427 18.558 19.000 -0.025 0.000 0.834 135 A HN 0.419 nan 8.150 nan 0.000 0.447 136 L N -0.432 120.775 121.223 -0.027 0.000 2.650 136 L HA 0.050 4.390 4.340 0.000 0.000 0.235 136 L C 1.145 178.000 176.870 -0.025 0.000 1.149 136 L CA -0.271 54.552 54.840 -0.029 0.000 0.887 136 L CB -0.632 41.405 42.059 -0.037 0.000 1.021 136 L HN 0.293 nan 8.230 nan 0.000 0.441 137 R N 0.956 121.443 120.500 -0.021 0.000 2.585 137 R HA 0.209 4.549 4.340 0.000 0.000 0.275 137 R C 1.188 177.479 176.300 -0.016 0.000 1.018 137 R CA 1.258 57.347 56.100 -0.019 0.000 1.072 137 R CB 0.239 30.529 30.300 -0.016 0.000 0.953 137 R HN 0.280 nan 8.270 nan 0.000 0.419 138 G N 3.339 112.129 108.800 -0.015 0.000 2.234 138 G HA2 -0.229 3.731 3.960 0.000 0.000 0.235 138 G HA3 -0.229 3.731 3.960 0.000 0.000 0.235 138 G C -0.062 174.830 174.900 -0.013 0.000 0.997 138 G CA 0.228 45.321 45.100 -0.013 0.000 0.623 138 G HN 0.667 nan 8.290 nan 0.000 0.514 139 L N -1.599 119.614 121.223 -0.017 0.000 2.502 139 L HA 0.767 5.107 4.340 0.000 0.000 0.247 139 L C 0.738 177.595 176.870 -0.022 0.000 1.180 139 L CA -0.016 54.814 54.840 -0.017 0.000 0.956 139 L CB 0.582 42.631 42.059 -0.016 0.000 1.282 139 L HN 0.204 nan 8.230 nan 0.000 0.470 140 G N 0.764 109.552 108.800 -0.020 0.000 3.262 140 G HA2 0.010 3.970 3.960 0.000 0.000 0.228 140 G HA3 0.010 3.970 3.960 0.000 0.000 0.228 140 G C 0.718 175.605 174.900 -0.021 0.000 1.197 140 G CA -0.041 45.045 45.100 -0.023 0.000 0.819 140 G HN 0.589 nan 8.290 nan 0.000 0.531 141 E N -0.297 119.891 120.200 -0.019 0.000 2.460 141 E HA 0.186 4.536 4.350 0.000 0.000 0.200 141 E C 1.019 177.607 176.600 -0.020 0.000 1.011 141 E CA -0.498 55.893 56.400 -0.016 0.000 0.912 141 E CB 0.011 29.704 29.700 -0.011 0.000 0.953 141 E HN 0.140 nan 8.360 nan 0.000 0.494 142 L N 1.781 122.988 121.223 -0.027 0.000 2.559 142 L HA -0.074 4.266 4.340 0.000 0.000 0.274 142 L C 0.441 177.284 176.870 -0.045 0.000 1.205 142 L CA 1.297 56.114 54.840 -0.039 0.000 0.907 142 L CB 0.531 42.561 42.059 -0.048 0.000 1.153 142 L HN 0.329 nan 8.230 nan 0.000 0.490 143 Q N 2.808 122.579 119.800 -0.048 0.000 2.342 143 Q HA 0.210 4.551 4.340 0.000 0.000 0.261 143 Q C -0.456 175.493 176.000 -0.085 0.000 0.841 143 Q CA 0.096 55.872 55.803 -0.045 0.000 0.969 143 Q CB 1.079 29.808 28.738 -0.015 0.000 1.136 143 Q HN 0.655 nan 8.270 nan 0.000 0.528 144 E N 1.160 121.280 120.200 -0.134 0.000 2.218 144 E HA 0.431 4.781 4.350 0.000 0.000 0.263 144 E C -1.791 174.544 176.600 -0.441 0.000 0.879 144 E CA -0.561 55.653 56.400 -0.309 0.000 0.762 144 E CB 2.428 31.993 29.700 -0.225 0.000 1.166 144 E HN -0.108 nan 8.360 nan 0.000 0.415 145 L N 3.882 124.752 121.223 -0.588 0.000 2.372 145 L HA 0.415 4.755 4.340 0.000 0.000 0.273 145 L C -1.983 174.528 176.870 -0.598 0.000 0.989 145 L CA -0.609 53.962 54.840 -0.448 0.000 0.841 145 L CB 0.528 42.444 42.059 -0.238 0.000 1.225 145 L HN 0.408 nan 8.230 nan 0.000 0.414 146 Y N 5.967 126.211 120.300 -0.093 0.000 2.334 146 Y HA 0.509 5.059 4.550 0.000 0.000 0.336 146 Y C 0.334 176.125 175.900 -0.182 0.000 0.960 146 Y CA -0.734 57.279 58.100 -0.144 0.000 1.164 146 Y CB 1.492 39.865 38.460 -0.145 0.000 1.155 146 Y HN 0.488 nan 8.280 nan 0.000 0.478 147 L N 2.962 124.132 121.223 -0.090 0.000 3.267 147 L HA 0.261 4.601 4.340 0.000 0.000 0.289 147 L C 0.458 177.174 176.870 -0.257 0.000 1.260 147 L CA -0.250 54.495 54.840 -0.157 0.000 1.034 147 L CB 0.438 42.422 42.059 -0.124 0.000 1.413 147 L HN 0.439 nan 8.230 nan 0.000 0.594 148 K N 1.030 121.210 120.400 -0.365 0.000 2.414 148 K HA 0.253 4.573 4.320 0.000 0.000 0.272 148 K C 1.080 177.201 176.600 -0.798 0.000 0.993 148 K CA 0.980 56.947 56.287 -0.532 0.000 0.964 148 K CB 0.557 32.694 32.500 -0.605 0.000 0.925 148 K HN 0.186 nan 8.250 nan 0.000 0.487 149 G N 2.222 110.716 108.800 -0.511 0.000 2.198 149 G HA2 -0.230 3.730 3.960 0.000 0.000 0.257 149 G HA3 -0.230 3.730 3.960 0.000 0.000 0.257 149 G C -0.376 174.440 174.900 -0.140 0.000 1.042 149 G CA 0.131 45.057 45.100 -0.290 0.000 0.791 149 G HN 0.737 nan 8.290 nan 0.000 0.502 150 N N -0.529 118.080 118.700 -0.151 0.000 2.938 150 N HA 0.496 5.236 4.740 0.000 0.000 0.335 150 N C 0.390 175.865 175.510 -0.058 0.000 1.358 150 N CA -0.474 52.525 53.050 -0.085 0.000 0.812 150 N CB 0.680 39.105 38.487 -0.103 0.000 1.233 150 N HN 0.275 nan 8.380 nan 0.000 0.593 151 E N 0.508 120.681 120.200 -0.046 0.000 2.995 151 E HA 0.240 4.590 4.350 0.000 0.000 0.203 151 E C -0.685 175.889 176.600 -0.044 0.000 0.980 151 E CA -0.280 56.098 56.400 -0.038 0.000 1.172 151 E CB 0.392 30.080 29.700 -0.020 0.000 1.088 151 E HN 0.192 nan 8.360 nan 0.000 0.463 152 L N 1.699 122.888 121.223 -0.057 0.000 2.490 152 L HA 0.013 4.353 4.340 0.000 0.000 0.274 152 L C 1.368 178.204 176.870 -0.057 0.000 1.201 152 L CA 1.109 55.915 54.840 -0.056 0.000 0.869 152 L CB 0.465 42.485 42.059 -0.065 0.000 1.123 152 L HN 0.094 nan 8.230 nan 0.000 0.484 153 K N 0.348 120.718 120.400 -0.050 0.000 2.399 153 K HA 0.177 4.497 4.320 0.000 0.000 0.196 153 K C 0.009 176.574 176.600 -0.058 0.000 1.117 153 K CA 0.275 56.531 56.287 -0.052 0.000 0.965 153 K CB 0.700 33.178 32.500 -0.036 0.000 0.983 153 K HN 0.647 nan 8.250 nan 0.000 0.531 154 T N 0.544 115.066 114.554 -0.053 0.000 2.923 154 T HA 0.480 4.830 4.350 0.000 0.000 0.311 154 T C -1.675 172.995 174.700 -0.050 0.000 1.183 154 T CA -0.691 61.376 62.100 -0.054 0.000 1.020 154 T CB 1.297 70.141 68.868 -0.041 0.000 1.165 154 T HN 0.020 nan 8.240 nan 0.000 0.482 155 L N 4.395 125.587 121.223 -0.051 0.000 2.346 155 L HA 0.585 4.925 4.340 0.000 0.000 0.274 155 L C -2.087 174.762 176.870 -0.036 0.000 1.007 155 L CA -2.331 52.483 54.840 -0.043 0.000 0.818 155 L CB 2.064 44.099 42.059 -0.041 0.000 1.284 155 L HN 0.409 nan 8.230 nan 0.000 0.424 156 P HA 0.248 nan 4.420 nan 0.000 0.281 156 P C -2.658 174.626 177.300 -0.028 0.000 1.252 156 P CA -1.635 61.447 63.100 -0.028 0.000 0.778 156 P CB 0.394 32.078 31.700 -0.027 0.000 0.895 157 P HA 0.085 nan 4.420 nan 0.000 0.265 157 P C 1.077 178.360 177.300 -0.029 0.000 1.193 157 P CA 1.175 64.259 63.100 -0.027 0.000 0.765 157 P CB 0.017 31.702 31.700 -0.025 0.000 0.823 158 G N 2.315 111.095 108.800 -0.033 0.000 2.157 158 G HA2 -0.290 3.670 3.960 0.000 0.000 0.248 158 G HA3 -0.290 3.670 3.960 0.000 0.000 0.248 158 G C 0.755 175.633 174.900 -0.036 0.000 0.979 158 G CA 0.135 45.214 45.100 -0.035 0.000 0.650 158 G HN 0.561 nan 8.290 nan 0.000 0.529 159 L N -0.475 120.727 121.223 -0.035 0.000 1.956 159 L HA -0.080 4.260 4.340 0.000 0.000 0.216 159 L C 2.470 179.316 176.870 -0.041 0.000 1.073 159 L CA 2.257 57.075 54.840 -0.036 0.000 0.762 159 L CB -0.331 41.706 42.059 -0.036 0.000 0.889 159 L HN 0.293 nan 8.230 nan 0.000 0.433 160 L N -0.009 121.186 121.223 -0.047 0.000 2.610 160 L HA -0.060 4.281 4.340 0.000 0.000 0.232 160 L C 2.430 179.269 176.870 -0.051 0.000 1.149 160 L CA 0.924 55.733 54.840 -0.052 0.000 0.872 160 L CB -1.591 40.432 42.059 -0.059 0.000 0.992 160 L HN 0.270 nan 8.230 nan 0.000 0.447 161 T N 1.003 115.529 114.554 -0.046 0.000 2.665 161 T HA -0.132 4.218 4.350 0.000 0.000 0.268 161 T C -0.245 174.431 174.700 -0.040 0.000 1.035 161 T CA 1.680 63.754 62.100 -0.044 0.000 1.151 161 T CB -0.572 68.273 68.868 -0.038 0.000 0.862 161 T HN 0.253 nan 8.240 nan 0.000 0.438 162 P HA 0.024 nan 4.420 nan 0.000 0.226 162 P C 0.408 177.687 177.300 -0.035 0.000 1.153 162 P CA 0.950 64.031 63.100 -0.032 0.000 0.777 162 P CB -0.110 31.572 31.700 -0.029 0.000 0.794 163 T N -4.168 110.361 114.554 -0.041 0.000 3.378 163 T HA 0.269 4.620 4.350 0.000 0.000 0.359 163 T C -1.857 172.814 174.700 -0.048 0.000 1.815 163 T CA -2.102 59.972 62.100 -0.044 0.000 1.509 163 T CB 0.595 69.433 68.868 -0.050 0.000 1.049 163 T HN 0.045 nan 8.240 nan 0.000 0.705 164 P HA -0.076 nan 4.420 nan 0.000 0.228 164 P C 0.530 177.798 177.300 -0.054 0.000 1.151 164 P CA 0.819 63.888 63.100 -0.052 0.000 0.770 164 P CB 0.108 31.781 31.700 -0.044 0.000 0.786 165 K N -0.526 119.848 120.400 -0.044 0.000 2.593 165 K HA 0.286 4.606 4.320 0.000 0.000 0.208 165 K C 0.550 177.129 176.600 -0.034 0.000 1.051 165 K CA -0.510 55.754 56.287 -0.037 0.000 1.111 165 K CB 0.174 32.659 32.500 -0.025 0.000 0.849 165 K HN 0.165 nan 8.250 nan 0.000 0.479 166 L N 2.005 123.201 121.223 -0.044 0.000 2.453 166 L HA -0.017 4.323 4.340 0.000 0.000 0.272 166 L C 0.853 177.712 176.870 -0.019 0.000 1.182 166 L CA 0.656 55.469 54.840 -0.045 0.000 0.858 166 L CB 0.730 42.755 42.059 -0.057 0.000 1.120 166 L HN 0.383 nan 8.230 nan 0.000 0.474 167 E N 1.791 121.987 120.200 -0.007 0.000 2.367 167 E HA 0.096 4.446 4.350 0.000 0.000 0.204 167 E C -0.433 176.204 176.600 0.062 0.000 0.840 167 E CA 0.017 56.444 56.400 0.044 0.000 1.051 167 E CB 0.732 30.464 29.700 0.054 0.000 1.051 167 E HN 0.323 nan 8.360 nan 0.000 0.509 168 K N 1.105 121.502 120.400 -0.006 0.000 2.345 168 K HA 0.506 4.826 4.320 0.000 0.000 0.255 168 K C -1.611 174.906 176.600 -0.137 0.000 0.934 168 K CA -0.574 55.700 56.287 -0.022 0.000 0.801 168 K CB 2.164 34.650 32.500 -0.023 0.000 1.137 168 K HN -0.103 nan 8.250 nan 0.000 0.424 169 L N 1.246 122.432 121.223 -0.062 0.000 2.438 169 L HA 0.604 4.944 4.340 0.000 0.000 0.270 169 L C -1.352 175.492 176.870 -0.044 0.000 0.972 169 L CA -0.001 54.781 54.840 -0.097 0.000 0.831 169 L CB 2.300 44.339 42.059 -0.032 0.000 1.273 169 L HN 0.518 nan 8.230 nan 0.000 0.405 170 S N 5.252 120.907 115.700 -0.076 0.000 2.707 170 S HA 0.608 5.078 4.470 0.000 0.000 0.312 170 S C -0.260 174.281 174.600 -0.099 0.000 1.116 170 S CA -0.447 57.721 58.200 -0.053 0.000 1.078 170 S CB 0.476 63.694 63.200 0.031 0.000 0.997 170 S HN 0.686 nan 8.310 nan 0.000 0.477 171 L N 3.725 124.890 121.223 -0.097 0.000 3.202 171 L HA 0.494 4.834 4.340 0.000 0.000 0.278 171 L C 0.903 177.692 176.870 -0.135 0.000 1.268 171 L CA -0.392 54.382 54.840 -0.110 0.000 1.034 171 L CB 0.186 42.202 42.059 -0.071 0.000 1.407 171 L HN 0.662 nan 8.230 nan 0.000 0.581 172 A N -0.074 122.637 122.820 -0.182 0.000 2.386 172 A HA 0.282 4.602 4.320 0.000 0.000 0.248 172 A C 0.770 178.229 177.584 -0.209 0.000 1.082 172 A CA -0.090 51.823 52.037 -0.206 0.000 0.789 172 A CB 0.036 18.853 19.000 -0.305 0.000 1.025 172 A HN 0.576 nan 8.150 nan 0.000 0.490 173 N N 0.939 119.546 118.700 -0.155 0.000 2.727 173 N HA -0.141 4.599 4.740 0.000 0.000 0.251 173 N C -0.346 175.105 175.510 -0.099 0.000 1.040 173 N CA 1.109 54.096 53.050 -0.105 0.000 0.712 173 N CB -1.032 37.407 38.487 -0.079 0.000 0.912 173 N HN 0.792 nan 8.380 nan 0.000 0.545 174 N N 0.127 118.767 118.700 -0.099 0.000 3.369 174 N HA 0.327 5.067 4.740 0.000 0.000 0.362 174 N C -0.054 175.411 175.510 -0.075 0.000 1.523 174 N CA -0.496 52.501 53.050 -0.088 0.000 0.684 174 N CB 0.454 38.880 38.487 -0.102 0.000 1.796 174 N HN 0.079 nan 8.380 nan 0.000 0.641 175 N N -0.111 118.547 118.700 -0.071 0.000 2.351 175 N HA 0.331 5.071 4.740 0.000 0.000 0.254 175 N C -0.745 174.718 175.510 -0.080 0.000 1.241 175 N CA -0.137 52.873 53.050 -0.066 0.000 0.883 175 N CB 0.560 39.019 38.487 -0.046 0.000 1.202 175 N HN 0.275 nan 8.380 nan 0.000 0.512 176 L N 0.573 121.736 121.223 -0.100 0.000 2.514 176 L HA 0.036 4.376 4.340 0.000 0.000 0.280 176 L C 1.478 178.259 176.870 -0.149 0.000 1.223 176 L CA 0.556 55.325 54.840 -0.119 0.000 0.864 176 L CB 0.451 42.431 42.059 -0.133 0.000 1.118 176 L HN 0.357 nan 8.230 nan 0.000 0.494 177 T N -2.099 112.364 114.554 -0.152 0.000 2.969 177 T HA 0.268 4.618 4.350 0.000 0.000 0.258 177 T C 0.270 174.745 174.700 -0.376 0.000 0.962 177 T CA -0.325 61.668 62.100 -0.178 0.000 0.903 177 T CB 0.424 69.286 68.868 -0.010 0.000 1.177 177 T HN 0.652 nan 8.240 nan 0.000 0.511 178 E N 0.764 120.789 120.200 -0.292 0.000 2.372 178 E HA 0.577 4.927 4.350 0.000 0.000 0.279 178 E C -1.803 174.650 176.600 -0.246 0.000 0.946 178 E CA -0.874 55.326 56.400 -0.334 0.000 0.769 178 E CB 2.397 31.957 29.700 -0.235 0.000 1.230 178 E HN 0.159 nan 8.360 nan 0.000 0.442 179 L N 1.918 122.969 121.223 -0.287 0.000 2.341 179 L HA 0.489 4.829 4.340 0.000 0.000 0.278 179 L C -2.406 174.389 176.870 -0.125 0.000 1.005 179 L CA -2.267 52.444 54.840 -0.215 0.000 0.818 179 L CB 1.441 43.273 42.059 -0.379 0.000 1.259 179 L HN 0.220 nan 8.230 nan 0.000 0.418 180 P HA -0.027 nan 4.420 nan 0.000 0.264 180 P C 0.456 177.780 177.300 0.039 0.000 1.183 180 P CA 0.109 63.203 63.100 -0.009 0.000 0.763 180 P CB 0.914 32.610 31.700 -0.006 0.000 0.807 181 A N 3.923 126.745 122.820 0.003 0.000 1.927 181 A HA -0.146 4.174 4.320 0.000 0.000 0.220 181 A C 1.832 179.420 177.584 0.006 0.000 1.185 181 A CA 2.212 54.255 52.037 0.009 0.000 0.639 181 A CB -1.342 17.642 19.000 -0.026 0.000 0.820 181 A HN 0.653 nan 8.150 nan 0.000 0.451 182 G N -1.763 107.019 108.800 -0.030 0.000 3.774 182 G HA2 0.353 4.313 3.960 0.000 0.000 0.287 182 G HA3 0.353 4.313 3.960 0.000 0.000 0.287 182 G C 0.856 175.683 174.900 -0.122 0.000 1.030 182 G CA 0.412 45.458 45.100 -0.089 0.000 0.824 182 G HN 0.341 nan 8.290 nan 0.000 0.518 183 L N 0.339 121.513 121.223 -0.082 0.000 2.085 183 L HA -0.129 4.211 4.340 0.000 0.000 0.218 183 L C 2.109 178.874 176.870 -0.175 0.000 1.080 183 L CA 1.954 56.745 54.840 -0.082 0.000 0.776 183 L CB -0.015 42.075 42.059 0.051 0.000 0.891 183 L HN 0.286 nan 8.230 nan 0.000 0.437 184 L N -0.721 120.294 121.223 -0.346 0.000 2.628 184 L HA 0.136 4.476 4.340 0.000 0.000 0.229 184 L C 0.208 176.960 176.870 -0.196 0.000 1.137 184 L CA -0.510 54.155 54.840 -0.290 0.000 0.909 184 L CB -0.680 41.122 42.059 -0.428 0.000 1.137 184 L HN 0.185 nan 8.230 nan 0.000 0.470 185 N N 1.550 120.146 118.700 -0.172 0.000 2.483 185 N HA 0.221 4.962 4.740 0.000 0.000 0.264 185 N C 1.232 176.685 175.510 -0.096 0.000 1.197 185 N CA 1.169 54.149 53.050 -0.117 0.000 0.927 185 N CB 1.271 39.701 38.487 -0.096 0.000 1.065 185 N HN 0.304 nan 8.380 nan 0.000 0.461 186 G N 0.893 109.639 108.800 -0.089 0.000 2.284 186 G HA2 -0.270 3.690 3.960 0.000 0.000 0.230 186 G HA3 -0.270 3.690 3.960 0.000 0.000 0.230 186 G C -0.059 174.774 174.900 -0.112 0.000 1.021 186 G CA -0.380 44.668 45.100 -0.086 0.000 0.619 186 G HN 0.443 nan 8.290 nan 0.000 0.510 187 L N 2.398 123.543 121.223 -0.131 0.000 2.382 187 L HA 0.366 4.706 4.340 0.000 0.000 0.259 187 L C 1.463 178.145 176.870 -0.313 0.000 1.291 187 L CA 0.593 55.340 54.840 -0.155 0.000 1.176 187 L CB 0.181 42.176 42.059 -0.107 0.000 1.373 187 L HN 0.403 nan 8.230 nan 0.000 0.426 188 E N 0.341 120.360 120.200 -0.303 0.000 2.427 188 E HA -0.065 4.285 4.350 0.000 0.000 0.196 188 E C 0.737 177.073 176.600 -0.439 0.000 1.028 188 E CA 0.524 56.653 56.400 -0.452 0.000 0.864 188 E CB 0.119 29.701 29.700 -0.197 0.000 0.813 188 E HN 0.666 nan 8.360 nan 0.000 0.514 189 N N 0.293 118.857 118.700 -0.227 0.000 2.204 189 N HA 0.088 4.828 4.740 0.000 0.000 0.219 189 N C -0.541 175.005 175.510 0.061 0.000 1.151 189 N CA -0.370 52.658 53.050 -0.037 0.000 0.867 189 N CB 0.636 39.118 38.487 -0.009 0.000 1.043 189 N HN -0.016 nan 8.380 nan 0.000 0.516 190 L N 1.803 123.052 121.223 0.043 0.000 2.513 190 L HA 0.027 4.367 4.340 0.000 0.000 0.272 190 L C 0.604 177.664 176.870 0.317 0.000 1.187 190 L CA 0.844 55.794 54.840 0.183 0.000 0.895 190 L CB 0.599 42.782 42.059 0.206 0.000 1.147 190 L HN 0.228 nan 8.230 nan 0.000 0.483 191 D N -0.083 120.468 120.400 0.251 0.000 2.480 191 D HA 0.108 4.748 4.640 0.000 0.000 0.243 191 D C -0.259 176.254 176.300 0.355 0.000 1.120 191 D CA -0.029 54.136 54.000 0.275 0.000 0.835 191 D CB 0.472 41.426 40.800 0.258 0.000 1.204 191 D HN 0.409 nan 8.370 nan 0.000 0.513 192 T N 0.788 115.532 114.554 0.317 0.000 2.949 192 T HA 0.448 4.799 4.350 0.000 0.000 0.300 192 T C -1.782 173.092 174.700 0.290 0.000 0.988 192 T CA -0.541 61.776 62.100 0.361 0.000 0.993 192 T CB 1.648 70.691 68.868 0.292 0.000 0.984 192 T HN 0.045 nan 8.240 nan 0.000 0.442 193 L N 5.021 126.467 121.223 0.371 0.000 2.318 193 L HA 0.596 4.936 4.340 0.000 0.000 0.277 193 L C -1.249 175.834 176.870 0.355 0.000 1.008 193 L CA -0.606 54.423 54.840 0.315 0.000 0.846 193 L CB 0.783 43.061 42.059 0.365 0.000 1.220 193 L HN 0.613 nan 8.230 nan 0.000 0.423 194 L N 6.612 127.940 121.223 0.175 0.000 2.264 194 L HA 0.371 4.712 4.340 0.000 0.000 0.287 194 L C 0.449 177.351 176.870 0.053 0.000 1.039 194 L CA 0.026 54.902 54.840 0.060 0.000 0.829 194 L CB 0.891 42.824 42.059 -0.210 0.000 1.211 194 L HN 0.655 nan 8.230 nan 0.000 0.427 195 L N 2.296 123.606 121.223 0.145 0.000 3.016 195 L HA 0.156 4.496 4.340 0.000 0.000 0.267 195 L C 0.207 177.102 176.870 0.041 0.000 1.182 195 L CA -0.386 54.506 54.840 0.087 0.000 0.997 195 L CB 0.530 42.684 42.059 0.159 0.000 1.354 195 L HN 0.618 nan 8.230 nan 0.000 0.569 196 Q N 0.538 120.342 119.800 0.006 0.000 2.395 196 Q HA 0.108 4.448 4.340 0.000 0.000 0.271 196 Q C -0.278 175.621 176.000 -0.170 0.000 1.026 196 Q CA 0.058 55.759 55.803 -0.170 0.000 0.900 196 Q CB -0.114 28.308 28.738 -0.527 0.000 1.266 196 Q HN 0.060 nan 8.270 nan 0.000 0.430 197 E N 0.695 120.798 120.200 -0.161 0.000 2.393 197 E HA -0.254 4.096 4.350 0.000 0.000 0.169 197 E C -0.819 175.719 176.600 -0.103 0.000 1.591 197 E CA 0.259 56.601 56.400 -0.098 0.000 0.661 197 E CB -0.921 28.754 29.700 -0.041 0.000 1.097 197 E HN 0.642 nan 8.360 nan 0.000 0.356 198 N N -0.902 117.715 118.700 -0.139 0.000 3.387 198 N HA 0.360 5.100 4.740 0.000 0.000 0.322 198 N C -0.391 175.009 175.510 -0.183 0.000 1.588 198 N CA -0.683 52.279 53.050 -0.146 0.000 0.778 198 N CB 1.550 39.941 38.487 -0.160 0.000 1.883 198 N HN -0.001 nan 8.380 nan 0.000 0.628 199 S N 0.398 115.990 115.700 -0.181 0.000 2.588 199 S HA 0.354 4.824 4.470 0.000 0.000 0.245 199 S C 0.390 174.847 174.600 -0.239 0.000 1.021 199 S CA -0.389 57.709 58.200 -0.170 0.000 1.006 199 S CB -0.322 62.830 63.200 -0.080 0.000 0.830 199 S HN 0.248 nan 8.310 nan 0.000 0.468 200 L N 2.545 123.518 121.223 -0.416 0.000 2.490 200 L HA 0.062 4.402 4.340 0.000 0.000 0.274 200 L C 1.010 177.506 176.870 -0.623 0.000 1.201 200 L CA 0.188 54.687 54.840 -0.569 0.000 0.869 200 L CB 0.101 41.778 42.059 -0.637 0.000 1.123 200 L HN 0.519 nan 8.230 nan 0.000 0.484 201 Y N 0.105 120.258 120.300 -0.246 0.000 2.527 201 Y HA 0.445 4.995 4.550 0.000 0.000 0.247 201 Y C 0.304 176.328 175.900 0.207 0.000 1.138 201 Y CA -0.682 57.377 58.100 -0.069 0.000 1.228 201 Y CB 0.533 38.957 38.460 -0.060 0.000 1.252 201 Y HN 0.503 nan 8.280 nan 0.000 0.531 202 T N 1.114 115.702 114.554 0.058 0.000 2.907 202 T HA 0.475 4.825 4.350 0.000 0.000 0.344 202 T C -2.120 172.518 174.700 -0.102 0.000 1.675 202 T CA -0.565 61.637 62.100 0.170 0.000 1.076 202 T CB 0.990 69.976 68.868 0.197 0.000 1.483 202 T HN 0.058 nan 8.240 nan 0.000 0.487 203 I N 5.066 125.512 120.570 -0.206 0.000 2.377 203 I HA 0.435 4.605 4.170 0.000 0.000 0.293 203 I C -1.859 174.115 176.117 -0.237 0.000 0.987 203 I CA -2.487 58.515 61.300 -0.497 0.000 1.185 203 I CB 1.555 39.068 38.000 -0.812 0.000 1.341 203 I HN 0.509 nan 8.210 nan 0.000 0.455 204 P HA 0.100 nan 4.420 nan 0.000 0.269 204 P C -0.554 176.651 177.300 -0.158 0.000 1.215 204 P CA -0.453 62.558 63.100 -0.149 0.000 0.780 204 P CB 0.740 32.364 31.700 -0.128 0.000 0.898 205 K N 0.825 121.105 120.400 -0.200 0.000 2.489 205 K HA 0.226 4.546 4.320 0.000 0.000 0.278 205 K C 1.370 177.552 176.600 -0.696 0.000 1.000 205 K CA 0.926 56.914 56.287 -0.499 0.000 1.012 205 K CB -0.490 31.869 32.500 -0.235 0.000 0.903 205 K HN 0.830 nan 8.250 nan 0.000 0.485 206 G N 2.838 110.761 108.800 -1.460 0.000 2.189 206 G HA2 -0.345 3.615 3.960 0.000 0.000 0.267 206 G HA3 -0.345 3.615 3.960 0.000 0.000 0.267 206 G C 0.644 175.378 174.900 -0.277 0.000 0.975 206 G CA 0.467 45.163 45.100 -0.672 0.000 0.644 206 G HN 0.720 nan 8.290 nan 0.000 0.537 207 F N 0.445 120.120 119.950 -0.457 0.000 2.141 207 F HA -0.056 4.471 4.527 0.000 0.000 0.300 207 F C 1.924 177.475 175.800 -0.415 0.000 1.079 207 F CA 2.477 60.219 58.000 -0.429 0.000 1.264 207 F CB -0.214 38.407 39.000 -0.632 0.000 1.011 207 F HN 0.203 nan 8.300 nan 0.000 0.487 208 F N 0.163 120.148 119.950 0.058 0.000 2.727 208 F HA 0.351 4.878 4.527 0.000 0.000 0.302 208 F C 1.691 177.551 175.800 0.099 0.000 1.097 208 F CA 0.365 58.348 58.000 -0.030 0.000 1.330 208 F CB -0.647 38.312 39.000 -0.069 0.000 1.084 208 F HN 0.165 nan 8.300 nan 0.000 0.578 209 G N 0.951 109.890 108.800 0.231 0.000 2.578 209 G HA2 -0.378 3.582 3.960 0.000 0.000 0.284 209 G HA3 -0.378 3.582 3.960 0.000 0.000 0.284 209 G C 1.194 176.247 174.900 0.254 0.000 1.283 209 G CA 0.696 45.909 45.100 0.188 0.000 0.944 209 G HN 0.424 nan 8.290 nan 0.000 0.558 210 S N -1.182 114.634 115.700 0.192 0.000 2.441 210 S HA 0.071 4.541 4.470 0.000 0.000 0.224 210 S C 1.149 175.854 174.600 0.175 0.000 1.043 210 S CA 1.117 59.420 58.200 0.171 0.000 0.948 210 S CB -0.241 63.033 63.200 0.124 0.000 0.810 210 S HN 1.270 nan 8.310 nan 0.000 0.504 211 H N 2.018 121.149 119.070 0.103 0.000 3.046 211 H HA 0.323 4.879 4.556 0.000 0.000 0.303 211 H C -1.167 174.242 175.328 0.136 0.000 1.002 211 H CA -0.191 55.912 56.048 0.091 0.000 1.460 211 H CB 0.116 29.918 29.762 0.068 0.000 1.493 211 H HN 0.141 nan 8.280 nan 0.000 0.559 212 L N 6.828 127.825 121.223 -0.377 0.000 2.295 212 L HA 0.238 4.578 4.340 0.000 0.000 0.285 212 L C -0.053 176.553 176.870 -0.439 0.000 1.035 212 L CA -0.645 54.022 54.840 -0.288 0.000 0.806 212 L CB 1.448 43.425 42.059 -0.137 0.000 1.214 212 L HN 0.604 nan 8.230 nan 0.000 0.426 213 L N 2.476 123.578 121.223 -0.202 0.000 2.289 213 L HA 0.549 4.889 4.340 0.000 0.000 0.285 213 L C -1.930 174.916 176.870 -0.039 0.000 1.049 213 L CA -1.449 53.356 54.840 -0.059 0.000 0.804 213 L CB 1.092 43.246 42.059 0.159 0.000 1.195 213 L HN 0.388 nan 8.230 nan 0.000 0.428 214 P HA -0.078 nan 4.420 nan 0.000 0.215 214 P C -0.497 176.521 177.300 -0.471 0.000 1.157 214 P CA 1.508 64.379 63.100 -0.381 0.000 0.868 214 P CB 0.060 31.467 31.700 -0.488 0.000 0.788 215 F N -1.072 118.991 119.950 0.188 0.000 2.445 215 F HA 0.606 5.133 4.527 0.000 0.000 0.348 215 F C 0.042 176.055 175.800 0.355 0.000 1.125 215 F CA -1.125 57.012 58.000 0.228 0.000 0.983 215 F CB 1.276 40.380 39.000 0.173 0.000 1.198 215 F HN -0.206 nan 8.300 nan 0.000 0.436 216 A N 3.569 126.680 122.820 0.485 0.000 2.343 216 A HA 0.840 5.160 4.320 0.000 0.000 0.316 216 A C -1.570 176.249 177.584 0.392 0.000 1.104 216 A CA -0.484 51.855 52.037 0.503 0.000 0.768 216 A CB 0.576 19.867 19.000 0.486 0.000 1.213 216 A HN 0.549 nan 8.150 nan 0.000 0.456 217 F N 2.362 122.556 119.950 0.406 0.000 2.382 217 F HA 0.481 5.008 4.527 0.000 0.000 0.361 217 F C 0.436 176.440 175.800 0.340 0.000 1.109 217 F CA -0.375 57.870 58.000 0.408 0.000 1.031 217 F CB 1.636 40.846 39.000 0.351 0.000 1.234 217 F HN 0.435 nan 8.300 nan 0.000 0.445 218 L N 2.827 124.370 121.223 0.533 0.000 3.086 218 L HA 0.130 4.470 4.340 0.000 0.000 0.274 218 L C 0.949 178.196 176.870 0.629 0.000 1.184 218 L CA -0.327 54.853 54.840 0.568 0.000 1.002 218 L CB -0.224 42.198 42.059 0.606 0.000 1.383 218 L HN 0.567 nan 8.230 nan 0.000 0.582 219 H N -0.051 119.308 119.070 0.480 0.000 2.703 219 H HA 0.257 4.813 4.556 0.000 0.000 0.377 219 H C 0.923 176.438 175.328 0.312 0.000 1.392 219 H CA 0.357 56.654 56.048 0.415 0.000 1.458 219 H CB 0.651 30.605 29.762 0.319 0.000 1.529 219 H HN 0.118 nan 8.280 nan 0.000 0.619 220 G N 0.943 109.922 108.800 0.298 0.000 2.147 220 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 220 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 220 G C -0.429 174.440 174.900 -0.052 0.000 1.005 220 G CA 0.167 45.337 45.100 0.116 0.000 0.713 220 G HN 0.838 nan 8.290 nan 0.000 0.515 221 N N -0.174 118.429 118.700 -0.162 0.000 2.258 221 N HA 0.423 5.163 4.740 0.000 0.000 0.299 221 N C -2.890 172.239 175.510 -0.634 0.000 1.047 221 N CA -1.591 51.100 53.050 -0.598 0.000 0.814 221 N CB 2.410 40.125 38.487 -1.287 0.000 1.413 221 N HN -0.190 nan 8.380 nan 0.000 0.478 222 P HA 0.046 nan 4.420 nan 0.000 0.262 222 P C -0.535 176.693 177.300 -0.119 0.000 1.647 222 P CA -0.091 62.895 63.100 -0.190 0.000 0.865 222 P CB -0.861 30.773 31.700 -0.109 0.000 1.834 223 W N 1.082 122.458 121.300 0.127 0.000 2.841 223 W HA -0.046 4.614 4.660 0.000 0.000 0.396 223 W C 0.782 177.354 176.519 0.088 0.000 1.229 223 W CA -0.840 56.591 57.345 0.144 0.000 1.288 223 W CB -0.427 29.147 29.460 0.189 0.000 1.397 223 W HN 0.131 nan 8.180 nan 0.000 0.586 224 L N 7.738 129.144 121.223 0.304 0.000 2.462 224 L HA 0.212 4.552 4.340 0.000 0.000 0.283 224 L C 0.415 177.354 176.870 0.115 0.000 1.166 224 L CA -1.070 53.861 54.840 0.150 0.000 0.964 224 L CB -0.743 41.377 42.059 0.102 0.000 1.294 224 L HN 0.460 nan 8.230 nan 0.000 0.449 225 c N 4.394 122.981 118.600 -0.022 0.000 2.289 225 c HA 0.685 5.255 4.570 0.000 0.000 0.340 225 c C 0.671 174.515 174.090 -0.411 0.000 1.152 225 c CA -0.169 55.995 56.329 -0.276 0.000 1.650 225 c CB -1.659 40.525 42.510 -0.544 0.000 2.203 225 c HN 0.963 nan 8.230 nan 0.000 0.511 226 N N 2.285 120.906 118.700 -0.133 0.000 2.191 226 N HA 0.372 5.112 4.740 0.000 0.000 0.183 226 N C 0.458 176.073 175.510 0.175 0.000 1.474 226 N CA -0.079 53.003 53.050 0.053 0.000 1.043 226 N CB -0.174 38.355 38.487 0.069 0.000 1.332 226 N HN 0.479 nan 8.380 nan 0.000 0.321 227 c N -1.170 117.531 118.600 0.169 0.000 3.230 227 c HA 0.355 4.925 4.570 0.000 0.000 0.300 227 c C 1.610 175.800 174.090 0.167 0.000 1.292 227 c CA -0.306 56.137 56.329 0.190 0.000 1.707 227 c CB -0.928 41.673 42.510 0.152 0.000 2.181 227 c HN 0.747 nan 8.230 nan 0.000 0.655 228 E N 0.653 120.942 120.200 0.149 0.000 2.476 228 E HA 0.168 4.518 4.350 0.000 0.000 0.191 228 E C 1.326 178.040 176.600 0.191 0.000 1.064 228 E CA 0.224 56.715 56.400 0.151 0.000 0.866 228 E CB 0.098 29.876 29.700 0.129 0.000 0.952 228 E HN 0.684 nan 8.360 nan 0.000 0.492 229 I N 0.459 121.147 120.570 0.197 0.000 3.976 229 I HA -0.014 4.156 4.170 0.000 0.000 0.337 229 I C 0.606 176.870 176.117 0.245 0.000 1.359 229 I CA -0.045 61.393 61.300 0.230 0.000 1.098 229 I CB 0.415 38.509 38.000 0.156 0.000 1.027 229 I HN 0.147 nan 8.210 nan 0.000 0.394 230 L N 0.191 121.563 121.223 0.248 0.000 2.093 230 L HA -0.193 4.147 4.340 0.000 0.000 0.208 230 L C 2.149 179.166 176.870 0.245 0.000 1.085 230 L CA 1.905 56.887 54.840 0.237 0.000 0.755 230 L CB -1.294 40.892 42.059 0.213 0.000 0.904 230 L HN 0.387 nan 8.230 nan 0.000 0.435 231 Y N -0.754 119.669 120.300 0.204 0.000 2.114 231 Y HA -0.338 4.212 4.550 0.000 0.000 0.284 231 Y C 2.547 178.656 175.900 0.348 0.000 1.143 231 Y CA 1.610 59.850 58.100 0.234 0.000 1.135 231 Y CB -0.674 37.904 38.460 0.196 0.000 0.980 231 Y HN 0.170 nan 8.280 nan 0.000 0.499 232 F N 1.794 121.730 119.950 -0.024 0.000 2.126 232 F HA -0.179 4.348 4.527 0.000 0.000 0.299 232 F C 2.644 178.444 175.800 -0.000 0.000 1.096 232 F CA 2.031 59.987 58.000 -0.073 0.000 1.255 232 F CB -0.821 38.150 39.000 -0.049 0.000 0.997 232 F HN 0.099 nan 8.300 nan 0.000 0.479 233 R N 0.718 121.222 120.500 0.006 0.000 2.080 233 R HA -0.212 4.128 4.340 0.000 0.000 0.236 233 R C 2.522 178.811 176.300 -0.018 0.000 1.137 233 R CA 1.914 57.979 56.100 -0.058 0.000 0.943 233 R CB -0.688 29.665 30.300 0.087 0.000 0.846 233 R HN 0.294 nan 8.270 nan 0.000 0.431 234 R N -0.711 119.799 120.500 0.017 0.000 2.075 234 R HA -0.187 4.153 4.340 0.000 0.000 0.232 234 R C 2.181 178.451 176.300 -0.050 0.000 1.126 234 R CA 1.840 57.937 56.100 -0.004 0.000 0.963 234 R CB -0.559 29.755 30.300 0.024 0.000 0.858 234 R HN 0.373 nan 8.270 nan 0.000 0.435 235 W N 1.289 122.439 121.300 -0.250 0.000 2.335 235 W HA -0.232 4.428 4.660 0.000 0.000 0.311 235 W C 1.595 177.966 176.519 -0.247 0.000 1.213 235 W CA 1.646 58.843 57.345 -0.247 0.000 1.274 235 W CB -0.443 28.872 29.460 -0.241 0.000 1.148 235 W HN 0.053 nan 8.180 nan 0.000 0.498 236 L N 0.359 121.572 121.223 -0.016 0.000 2.081 236 L HA -0.326 4.014 4.340 0.000 0.000 0.212 236 L C 2.663 179.263 176.870 -0.450 0.000 1.080 236 L CA 1.851 56.516 54.840 -0.292 0.000 0.754 236 L CB -0.970 40.879 42.059 -0.350 0.000 0.893 236 L HN 0.171 nan 8.230 nan 0.000 0.433 237 Q N -0.420 119.212 119.800 -0.280 0.000 2.046 237 Q HA -0.190 4.151 4.340 0.000 0.000 0.200 237 Q C 1.713 177.522 176.000 -0.319 0.000 0.975 237 Q CA 1.535 57.198 55.803 -0.233 0.000 0.836 237 Q CB -0.030 28.670 28.738 -0.063 0.000 0.896 237 Q HN 0.503 nan 8.270 nan 0.000 0.428 238 D N 0.082 120.270 120.400 -0.354 0.000 2.348 238 D HA -0.069 4.571 4.640 0.000 0.000 0.216 238 D C 0.309 176.293 176.300 -0.526 0.000 0.970 238 D CA 0.837 54.615 54.000 -0.370 0.000 0.889 238 D CB -0.072 40.544 40.800 -0.306 0.000 0.912 238 D HN 0.213 nan 8.370 nan 0.000 0.524 239 N N -0.504 117.732 118.700 -0.773 0.000 2.299 239 N HA 0.215 4.955 4.740 0.000 0.000 0.246 239 N C 1.112 176.215 175.510 -0.678 0.000 1.254 239 N CA -0.049 52.494 53.050 -0.846 0.000 0.879 239 N CB 0.937 38.542 38.487 -1.469 0.000 1.214 239 N HN -0.064 nan 8.380 nan 0.000 0.510 240 A N 1.189 123.671 122.820 -0.563 0.000 1.997 240 A HA -0.283 4.038 4.320 0.000 0.000 0.221 240 A C 1.976 179.292 177.584 -0.447 0.000 1.172 240 A CA 1.859 53.588 52.037 -0.513 0.000 0.645 240 A CB -0.396 18.310 19.000 -0.490 0.000 0.813 240 A HN 0.618 nan 8.150 nan 0.000 0.454 241 E N -0.098 119.866 120.200 -0.394 0.000 2.204 241 E HA -0.174 4.176 4.350 0.000 0.000 0.194 241 E C 1.109 177.481 176.600 -0.380 0.000 0.989 241 E CA 1.445 57.639 56.400 -0.344 0.000 0.824 241 E CB -0.496 29.049 29.700 -0.259 0.000 0.756 241 E HN 0.792 nan 8.360 nan 0.000 0.477 242 N N 0.592 119.077 118.700 -0.359 0.000 2.280 242 N HA 0.067 4.807 4.740 0.000 0.000 0.192 242 N C -0.509 174.951 175.510 -0.083 0.000 1.109 242 N CA -0.003 52.934 53.050 -0.189 0.000 0.855 242 N CB 1.537 39.907 38.487 -0.195 0.000 0.974 242 N HN 0.045 nan 8.380 nan 0.000 0.482 243 V N 0.625 120.352 119.914 -0.311 0.000 2.427 243 V HA 0.431 4.551 4.120 0.000 0.000 0.286 243 V C -1.304 174.554 176.094 -0.395 0.000 1.034 243 V CA -0.445 61.766 62.300 -0.149 0.000 0.893 243 V CB 0.284 32.058 31.823 -0.081 0.000 0.982 243 V HN 0.019 nan 8.190 nan 0.000 0.452 244 Y N 3.502 123.628 120.300 -0.289 0.000 2.693 244 Y HA 0.751 5.301 4.550 0.000 0.000 0.331 244 Y C -0.038 175.753 175.900 -0.182 0.000 1.092 244 Y CA -1.079 56.826 58.100 -0.324 0.000 1.131 244 Y CB 2.121 40.273 38.460 -0.513 0.000 1.318 244 Y HN 0.417 nan 8.280 nan 0.000 0.510 245 V N 0.555 120.557 119.914 0.146 0.000 2.407 245 V HA 0.100 4.220 4.120 0.000 0.000 0.291 245 V C -1.151 175.209 176.094 0.443 0.000 1.018 245 V CA -1.040 61.332 62.300 0.120 0.000 0.842 245 V CB 1.026 32.753 31.823 -0.160 0.000 0.996 245 V HN 0.737 nan 8.190 nan 0.000 0.426 246 W N 5.500 127.250 121.300 0.749 0.000 2.613 246 W HA 0.111 4.771 4.660 0.000 0.000 0.342 246 W C 1.067 177.757 176.519 0.285 0.000 1.416 246 W CA 0.070 57.768 57.345 0.588 0.000 1.335 246 W CB 0.523 30.240 29.460 0.428 0.000 1.396 246 W HN 0.509 nan 8.180 nan 0.000 0.572 247 K N 3.984 124.240 120.400 -0.240 0.000 2.404 247 K HA -0.017 4.303 4.320 0.000 0.000 0.194 247 K C 1.240 177.490 176.600 -0.582 0.000 1.023 247 K CA 0.743 56.861 56.287 -0.282 0.000 1.094 247 K CB -0.255 32.146 32.500 -0.165 0.000 0.841 247 K HN 0.720 nan 8.250 nan 0.000 0.523 248 Q N -1.270 117.667 119.800 -1.438 0.000 1.881 248 Q HA -0.233 4.107 4.340 0.000 0.000 0.372 248 Q C 0.355 175.943 176.000 -0.686 0.000 0.737 248 Q CA 1.757 56.636 55.803 -1.540 0.000 0.914 248 Q CB -1.703 26.653 28.738 -0.637 0.000 2.970 248 Q HN 0.432 nan 8.270 nan 0.000 0.753 249 G N 0.903 109.497 108.800 -0.343 0.000 2.909 249 G HA2 0.399 4.359 3.960 0.000 0.000 0.269 249 G HA3 0.399 4.359 3.960 0.000 0.000 0.269 249 G C -0.746 174.050 174.900 -0.173 0.000 0.726 249 G CA 0.585 45.571 45.100 -0.190 0.000 2.082 249 G HN 0.366 nan 8.290 nan 0.000 0.588 250 V N 1.000 120.788 119.914 -0.210 0.000 3.120 250 V HA 0.284 4.404 4.120 0.000 0.000 0.303 250 V C -1.021 174.993 176.094 -0.134 0.000 1.238 250 V CA -1.219 60.991 62.300 -0.149 0.000 1.008 250 V CB 2.578 34.313 31.823 -0.146 0.000 1.064 250 V HN 0.556 nan 8.190 nan 0.000 0.434 251 D N 1.402 121.752 120.400 -0.084 0.000 2.348 251 D HA 0.260 4.900 4.640 0.000 0.000 0.249 251 D C 0.879 177.146 176.300 -0.055 0.000 1.110 251 D CA -0.492 53.469 54.000 -0.065 0.000 0.967 251 D CB 1.659 42.435 40.800 -0.040 0.000 1.139 251 D HN 0.232 nan 8.370 nan 0.000 0.466 252 V N 0.206 120.087 119.914 -0.055 0.000 3.305 252 V HA -0.192 3.928 4.120 0.000 0.000 0.269 252 V C 1.849 177.951 176.094 0.013 0.000 1.157 252 V CA 2.010 64.281 62.300 -0.049 0.000 1.157 252 V CB -0.912 30.856 31.823 -0.092 0.000 0.772 252 V HN 0.674 nan 8.190 nan 0.000 0.498 253 K N 1.158 121.564 120.400 0.011 0.000 2.098 253 K HA 0.243 4.563 4.320 0.000 0.000 0.203 253 K C 1.708 178.327 176.600 0.032 0.000 1.051 253 K CA 1.679 57.983 56.287 0.028 0.000 0.957 253 K CB -0.753 31.756 32.500 0.016 0.000 0.738 253 K HN 0.263 nan 8.250 nan 0.000 0.447 254 A N 0.677 123.506 122.820 0.015 0.000 2.302 254 A HA 0.490 4.810 4.320 0.000 0.000 0.219 254 A C 0.811 178.414 177.584 0.031 0.000 1.243 254 A CA 0.417 52.462 52.037 0.014 0.000 0.856 254 A CB -0.973 18.022 19.000 -0.007 0.000 0.893 254 A HN 0.468 nan 8.150 nan 0.000 0.491 255 M N -0.150 119.487 119.600 0.063 0.000 2.129 255 M HA 0.643 5.123 4.480 0.000 0.000 0.348 255 M C -0.016 176.410 176.300 0.211 0.000 1.116 255 M CA -0.053 55.324 55.300 0.128 0.000 1.022 255 M CB 0.151 32.820 32.600 0.115 0.000 1.599 255 M HN 0.281 nan 8.290 nan 0.000 0.449 256 T N 1.140 115.800 114.554 0.177 0.000 2.912 256 T HA 0.665 5.015 4.350 0.000 0.000 0.288 256 T C 0.386 175.064 174.700 -0.037 0.000 1.030 256 T CA -0.005 62.155 62.100 0.101 0.000 1.020 256 T CB 1.228 70.107 68.868 0.019 0.000 1.056 256 T HN 1.317 nan 8.240 nan 0.000 0.480 257 S N 2.718 118.263 115.700 -0.259 0.000 2.566 257 S HA 0.201 4.671 4.470 0.000 0.000 0.280 257 S C 0.032 174.418 174.600 -0.358 0.000 1.343 257 S CA -0.017 57.815 58.200 -0.613 0.000 1.036 257 S CB -0.115 62.780 63.200 -0.509 0.000 0.866 257 S HN 0.779 nan 8.310 nan 0.000 0.526 258 N N 3.480 121.956 118.700 -0.374 0.000 2.884 258 N HA 0.054 4.795 4.740 0.000 0.000 0.211 258 N C 0.162 175.551 175.510 -0.201 0.000 1.442 258 N CA -0.231 52.691 53.050 -0.214 0.000 0.757 258 N CB 0.160 38.574 38.487 -0.122 0.000 1.461 258 N HN 0.341 nan 8.380 nan 0.000 0.557 259 V N 1.793 121.535 119.914 -0.287 0.000 2.392 259 V HA -0.108 4.012 4.120 0.000 0.000 0.249 259 V C 1.855 177.831 176.094 -0.197 0.000 1.059 259 V CA 2.612 64.710 62.300 -0.338 0.000 1.051 259 V CB -0.464 30.979 31.823 -0.633 0.000 0.658 259 V HN 0.598 nan 8.190 nan 0.000 0.455 260 A N -0.188 122.583 122.820 -0.083 0.000 2.263 260 A HA -0.029 4.291 4.320 0.000 0.000 0.205 260 A C 2.219 179.875 177.584 0.120 0.000 1.226 260 A CA 1.315 53.431 52.037 0.132 0.000 0.810 260 A CB -0.664 18.445 19.000 0.182 0.000 0.784 260 A HN 0.864 nan 8.150 nan 0.000 0.486 261 S N -1.343 114.412 115.700 0.092 0.000 2.501 261 S HA 0.118 4.588 4.470 0.000 0.000 0.220 261 S C 0.602 175.366 174.600 0.272 0.000 0.997 261 S CA 0.458 58.751 58.200 0.154 0.000 0.919 261 S CB -0.391 62.875 63.200 0.111 0.000 0.778 261 S HN 0.461 nan 8.310 nan 0.000 0.523 262 V N 4.266 124.319 119.914 0.233 0.000 2.353 262 V HA 0.396 4.516 4.120 0.000 0.000 0.264 262 V C -0.609 175.636 176.094 0.251 0.000 1.049 262 V CA -0.469 62.002 62.300 0.285 0.000 0.896 262 V CB 0.350 32.205 31.823 0.054 0.000 1.025 262 V HN 0.646 nan 8.190 nan 0.000 0.475 263 Q N 5.353 125.417 119.800 0.441 0.000 2.451 263 Q HA 0.520 4.860 4.340 0.000 0.000 0.281 263 Q C -0.888 175.374 176.000 0.438 0.000 1.099 263 Q CA -0.916 55.106 55.803 0.365 0.000 0.806 263 Q CB 1.703 30.620 28.738 0.299 0.000 1.419 263 Q HN 0.558 nan 8.270 nan 0.000 0.427 264 c N 2.165 120.952 118.600 0.311 0.000 2.648 264 c HA 0.071 4.641 4.570 0.000 0.000 0.419 264 c C 0.304 174.500 174.090 0.177 0.000 1.352 264 c CA 0.262 56.730 56.329 0.232 0.000 1.816 264 c CB -1.182 41.388 42.510 0.100 0.000 2.598 264 c HN 0.998 nan 8.230 nan 0.000 0.598 265 D N 1.174 121.654 120.400 0.133 0.000 3.018 265 D HA -0.280 4.360 4.640 0.000 0.000 0.224 265 D C 0.744 177.100 176.300 0.093 0.000 1.185 265 D CA 1.649 55.689 54.000 0.066 0.000 0.858 265 D CB -1.668 39.140 40.800 0.013 0.000 1.112 265 D HN 0.967 nan 8.370 nan 0.000 0.415 266 N N -1.852 116.942 118.700 0.157 0.000 2.753 266 N HA -0.345 4.395 4.740 0.000 0.000 0.251 266 N C 1.076 176.695 175.510 0.182 0.000 1.097 266 N CA 0.776 53.931 53.050 0.176 0.000 0.786 266 N CB -0.874 37.678 38.487 0.108 0.000 1.137 266 N HN 0.278 nan 8.380 nan 0.000 0.566 267 S N 0.887 116.711 115.700 0.207 0.000 2.359 267 S HA -0.243 4.227 4.470 0.000 0.000 0.222 267 S C 1.086 175.836 174.600 0.249 0.000 1.038 267 S CA 2.938 61.293 58.200 0.258 0.000 1.051 267 S CB -0.115 63.339 63.200 0.423 0.000 0.944 267 S HN 0.818 nan 8.310 nan 0.000 0.433 268 D N -1.727 118.831 120.400 0.264 0.000 1.952 268 D HA -0.136 4.505 4.640 0.000 0.000 0.175 268 D C 0.593 176.941 176.300 0.082 0.000 1.029 268 D CA 1.466 55.569 54.000 0.172 0.000 1.041 268 D CB -1.624 39.255 40.800 0.132 0.000 1.195 268 D HN 0.424 nan 8.370 nan 0.000 0.573 269 K N 0.104 120.504 120.400 -0.001 0.000 2.372 269 K HA 0.416 4.737 4.320 0.000 0.000 0.200 269 K C -0.386 175.867 176.600 -0.578 0.000 1.022 269 K CA -0.151 55.959 56.287 -0.293 0.000 1.125 269 K CB -0.303 31.950 32.500 -0.410 0.000 0.855 269 K HN 0.327 nan 8.250 nan 0.000 0.524 270 F N 1.009 120.994 119.950 0.059 0.000 2.542 270 F HA 0.359 4.886 4.527 0.000 0.000 0.323 270 F C -2.296 173.547 175.800 0.071 0.000 1.411 270 F CA -2.558 55.481 58.000 0.064 0.000 1.124 270 F CB 1.187 40.241 39.000 0.090 0.000 1.331 270 F HN -0.187 nan 8.300 nan 0.000 0.560 271 P HA -0.045 nan 4.420 nan 0.000 0.264 271 P C 0.170 177.536 177.300 0.111 0.000 1.236 271 P CA 0.283 63.471 63.100 0.146 0.000 0.811 271 P CB 0.799 32.582 31.700 0.138 0.000 0.840 272 V N 7.000 126.990 119.914 0.125 0.000 2.584 272 V HA -0.014 4.107 4.120 0.000 0.000 0.303 272 V C 0.539 176.681 176.094 0.079 0.000 1.035 272 V CA 1.355 63.678 62.300 0.038 0.000 1.172 272 V CB -1.284 30.473 31.823 -0.109 0.000 0.896 272 V HN 0.858 nan 8.190 nan 0.000 0.486 273 Y N 3.156 123.431 120.300 -0.041 0.000 3.658 273 Y HA -0.132 4.418 4.550 0.000 0.000 0.373 273 Y C 0.813 176.702 175.900 -0.018 0.000 1.365 273 Y CA 0.907 58.955 58.100 -0.087 0.000 1.446 273 Y CB -1.996 36.363 38.460 -0.169 0.000 0.755 273 Y HN 0.583 nan 8.280 nan 0.000 0.358 274 K N 0.744 120.761 120.400 -0.639 0.000 2.374 274 K HA 0.292 4.612 4.320 0.000 0.000 0.202 274 K C -0.309 176.189 176.600 -0.169 0.000 1.040 274 K CA -0.117 55.804 56.287 -0.609 0.000 1.085 274 K CB -0.012 32.058 32.500 -0.716 0.000 0.873 274 K HN 0.342 nan 8.250 nan 0.000 0.539 275 Y N 2.457 122.666 120.300 -0.153 0.000 2.537 275 Y HA 0.112 4.662 4.550 0.000 0.000 0.339 275 Y C -1.521 174.364 175.900 -0.024 0.000 1.066 275 Y CA -2.547 55.533 58.100 -0.033 0.000 1.357 275 Y CB 0.679 39.145 38.460 0.011 0.000 1.175 275 Y HN 0.096 nan 8.280 nan 0.000 0.525 276 P HA -0.050 nan 4.420 nan 0.000 0.210 276 P C 0.452 177.353 177.300 -0.664 0.000 1.189 276 P CA 1.932 64.742 63.100 -0.483 0.000 0.920 276 P CB -0.066 31.434 31.700 -0.334 0.000 0.782 277 G N 0.569 108.740 108.800 -1.048 0.000 2.325 277 G HA2 -0.186 3.774 3.960 0.000 0.000 0.248 277 G HA3 -0.186 3.774 3.960 0.000 0.000 0.248 277 G C -0.219 174.560 174.900 -0.201 0.000 1.108 277 G CA -0.258 44.493 45.100 -0.583 0.000 0.881 277 G HN 0.401 nan 8.290 nan 0.000 0.494 278 K N -0.145 120.146 120.400 -0.181 0.000 2.448 278 K HA 0.411 4.731 4.320 0.000 0.000 0.278 278 K C 1.449 178.033 176.600 -0.027 0.000 1.009 278 K CA 0.867 57.105 56.287 -0.082 0.000 0.995 278 K CB 0.594 33.055 32.500 -0.066 0.000 0.917 278 K HN 1.537 nan 8.250 nan 0.000 0.481 279 G N 1.620 110.412 108.800 -0.013 0.000 2.182 279 G HA2 -0.263 3.697 3.960 0.000 0.000 0.248 279 G HA3 -0.263 3.697 3.960 0.000 0.000 0.248 279 G C -0.189 174.724 174.900 0.022 0.000 1.042 279 G CA -0.334 44.770 45.100 0.006 0.000 0.775 279 G HN 0.597 nan 8.290 nan 0.000 0.501 280 c N 1.669 120.284 118.600 0.025 0.000 2.417 280 c HA 0.670 5.240 4.570 0.000 0.000 0.324 280 c C -1.497 172.618 174.090 0.042 0.000 1.240 280 c CA -1.561 54.795 56.329 0.044 0.000 1.632 280 c CB 1.372 43.925 42.510 0.072 0.000 2.241 280 c HN 0.531 nan 8.230 nan 0.000 0.499 281 P HA 0.004 nan 4.420 nan 0.000 0.249 281 P C -0.159 177.169 177.300 0.045 0.000 1.140 281 P CA 1.013 64.138 63.100 0.041 0.000 0.803 281 P CB 0.323 32.048 31.700 0.043 0.000 0.745 282 T N 2.121 116.697 114.554 0.037 0.000 2.718 282 T HA 0.339 4.689 4.350 0.000 0.000 0.267 282 T C 0.290 175.009 174.700 0.033 0.000 0.957 282 T CA -0.915 61.209 62.100 0.039 0.000 1.025 282 T CB 0.347 69.234 68.868 0.031 0.000 1.355 282 T HN 0.147 nan 8.240 nan 0.000 0.572 283 L N 2.270 123.512 121.223 0.032 0.000 4.631 283 L HA 0.112 4.452 4.340 0.000 0.000 0.307 283 L C 1.687 178.570 176.870 0.022 0.000 1.515 283 L CA 0.400 55.257 54.840 0.027 0.000 1.093 283 L CB -0.686 41.388 42.059 0.025 0.000 1.475 283 L HN 0.802 nan 8.230 nan 0.000 0.395 284 G N 0.637 109.450 108.800 0.022 0.000 3.327 284 G HA2 -0.034 3.926 3.960 0.000 0.000 0.240 284 G HA3 -0.034 3.926 3.960 0.000 0.000 0.240 284 G C 0.258 175.168 174.900 0.017 0.000 1.222 284 G CA -0.127 44.984 45.100 0.019 0.000 0.871 284 G HN 0.754 nan 8.290 nan 0.000 0.525 285 D N 1.158 121.569 120.400 0.018 0.000 7.113 285 D HA -0.193 4.447 4.640 0.000 0.000 0.262 285 D C 0.987 177.296 176.300 0.016 0.000 1.896 285 D CA 1.289 55.298 54.000 0.016 0.000 1.782 285 D CB -0.463 40.345 40.800 0.013 0.000 0.821 285 D HN 0.765 nan 8.370 nan 0.000 0.507 286 E N 2.177 122.388 120.200 0.017 0.000 3.699 286 E HA -0.282 4.068 4.350 0.000 0.000 0.299 286 E C 1.117 177.727 176.600 0.015 0.000 1.551 286 E CA 1.960 58.370 56.400 0.016 0.000 2.243 286 E CB -1.357 28.352 29.700 0.014 0.000 1.984 286 E HN 2.056 nan 8.360 nan 0.000 0.434 287 G N 0.769 109.577 108.800 0.014 0.000 2.496 287 G HA2 -0.198 3.762 3.960 0.000 0.000 0.243 287 G HA3 -0.198 3.762 3.960 0.000 0.000 0.243 287 G C -1.134 173.774 174.900 0.013 0.000 1.176 287 G CA 0.500 45.607 45.100 0.013 0.000 0.940 287 G HN 0.843 nan 8.290 nan 0.000 0.573 288 D N 1.032 121.440 120.400 0.013 0.000 2.168 288 D HA 0.714 5.354 4.640 0.000 0.000 0.246 288 D C 0.150 176.460 176.300 0.016 0.000 1.050 288 D CA 0.479 54.487 54.000 0.013 0.000 0.857 288 D CB 1.687 42.495 40.800 0.012 0.000 1.169 288 D HN 0.549 nan 8.370 nan 0.000 0.453 289 T N 0.847 115.411 114.554 0.016 0.000 2.942 289 T HA 0.499 4.849 4.350 0.000 0.000 0.327 289 T C -1.412 173.298 174.700 0.018 0.000 1.360 289 T CA -1.004 61.108 62.100 0.019 0.000 1.055 289 T CB 1.556 70.437 68.868 0.022 0.000 1.261 289 T HN 0.452 nan 8.240 nan 0.000 0.485 290 D N 0.508 120.919 120.400 0.019 0.000 2.553 290 D HA 0.696 5.336 4.640 0.000 0.000 0.249 290 D C 0.013 176.324 176.300 0.018 0.000 1.062 290 D CA -0.941 53.069 54.000 0.016 0.000 1.085 290 D CB 0.385 41.194 40.800 0.015 0.000 1.350 290 D HN 0.417 nan 8.370 nan 0.000 0.575 296 P HA 0.000 nan 4.420 nan 0.000 0.216 296 P CA 0.000 63.157 63.100 0.095 0.000 0.800 296 P CB 0.000 31.760 31.700 0.100 0.000 0.726