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 2xec_1_C DATA FIRST_RESID 3 DATA SEQUENCE IRRIGLVVPS SNVTVETEMP ALLSRHPGAE FSFHSTRMRM HTVSPEGLAA DATA SEQUENCE MNAQRERCVL EIADAAPEVI LYACLVAVMV GGPGEHHRVE SAVAEQLATG DATA SEQUENCE GSQALVRSSA GALVEGLRAL DAQRVALVTP YMRPLAEKVV AYLEAEGFTI DATA SEQUENCE SDWRALEVAD NTEVGCIPGE QVMAAARSLD LSEVDALVIS CCVQMPSLPL DATA SEQUENCE VETAEREFGI PVLSAATAGA YSILRSLDLP VAVPGAGRLL RQD 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.021 176.117 -0.160 0.000 1.063 3 I CA 0.000 61.225 61.300 -0.124 0.000 1.566 3 I CB 0.000 37.917 38.000 -0.138 0.000 1.214 4 R N 2.552 122.891 120.500 -0.270 0.000 2.407 4 R HA 0.601 4.940 4.340 -0.001 0.000 0.303 4 R C -0.372 175.867 176.300 -0.101 0.000 0.981 4 R CA -0.644 55.312 56.100 -0.239 0.000 0.905 4 R CB 1.660 31.720 30.300 -0.401 0.000 1.099 4 R HN -0.012 nan 8.270 nan 0.000 0.459 5 R N 3.060 123.536 120.500 -0.040 0.000 2.437 5 R HA 0.452 4.792 4.340 -0.001 0.000 0.310 5 R C -0.488 175.799 176.300 -0.021 0.000 0.955 5 R CA -0.874 55.231 56.100 0.009 0.000 0.851 5 R CB 1.582 31.887 30.300 0.007 0.000 1.161 5 R HN 0.432 nan 8.270 nan 0.000 0.446 6 I N 1.703 122.203 120.570 -0.116 0.000 2.389 6 I HA 0.315 4.484 4.170 -0.001 0.000 0.288 6 I C 0.836 176.952 176.117 -0.002 0.000 0.999 6 I CA -0.806 60.401 61.300 -0.155 0.000 1.129 6 I CB 1.300 39.025 38.000 -0.457 0.000 1.288 6 I HN 0.580 nan 8.210 nan 0.000 0.444 7 G N 6.893 115.722 108.800 0.048 0.000 2.338 7 G HA2 0.631 4.590 3.960 -0.001 0.000 0.298 7 G HA3 0.631 4.590 3.960 -0.001 0.000 0.298 7 G C -0.634 174.318 174.900 0.087 0.000 1.140 7 G CA -0.444 44.708 45.100 0.087 0.000 0.860 7 G HN 0.502 nan 8.290 nan 0.000 0.470 8 L N 2.577 123.858 121.223 0.098 0.000 2.325 8 L HA 0.361 4.700 4.340 -0.001 0.000 0.281 8 L C -0.415 176.467 176.870 0.019 0.000 1.004 8 L CA -1.048 53.833 54.840 0.070 0.000 0.823 8 L CB 2.261 44.378 42.059 0.097 0.000 1.236 8 L HN 0.160 nan 8.230 nan 0.000 0.415 9 V N 4.560 124.453 119.914 -0.035 0.000 2.348 9 V HA 0.430 4.549 4.120 -0.001 0.000 0.270 9 V C 0.087 176.048 176.094 -0.221 0.000 1.037 9 V CA -0.516 61.706 62.300 -0.130 0.000 0.872 9 V CB 1.495 33.199 31.823 -0.198 0.000 1.002 9 V HN 0.538 nan 8.190 nan 0.000 0.464 10 V N 3.856 123.676 119.914 -0.157 0.000 2.962 10 V HA 0.760 4.879 4.120 -0.001 0.000 0.313 10 V C -2.902 173.119 176.094 -0.121 0.000 1.099 10 V CA -3.030 59.187 62.300 -0.139 0.000 0.971 10 V CB 2.292 34.074 31.823 -0.069 0.000 1.028 10 V HN 0.564 nan 8.190 nan 0.000 0.430 11 P HA 0.161 nan 4.420 nan 0.000 0.265 11 P C 1.080 178.355 177.300 -0.041 0.000 1.193 11 P CA 0.540 63.597 63.100 -0.071 0.000 0.765 11 P CB 0.952 32.618 31.700 -0.056 0.000 0.823 12 S N 1.261 116.946 115.700 -0.025 0.000 2.419 12 S HA -0.160 4.309 4.470 -0.001 0.000 0.235 12 S C 1.419 176.021 174.600 0.003 0.000 1.019 12 S CA 1.448 59.644 58.200 -0.007 0.000 0.982 12 S CB -1.055 62.149 63.200 0.007 0.000 0.789 12 S HN 0.517 nan 8.310 nan 0.000 0.490 13 S N 0.839 116.544 115.700 0.007 0.000 2.597 13 S HA 0.237 4.706 4.470 -0.001 0.000 0.224 13 S C 0.189 174.792 174.600 0.004 0.000 0.955 13 S CA -0.725 57.485 58.200 0.017 0.000 0.933 13 S CB -0.517 62.709 63.200 0.043 0.000 0.788 13 S HN 0.482 nan 8.310 nan 0.000 0.488 14 N N 0.944 119.639 118.700 -0.009 0.000 2.438 14 N HA 0.315 5.054 4.740 -0.001 0.000 0.282 14 N C 0.231 175.728 175.510 -0.021 0.000 1.037 14 N CA -0.219 52.822 53.050 -0.016 0.000 0.942 14 N CB 1.883 40.355 38.487 -0.024 0.000 1.136 14 N HN 0.052 nan 8.380 nan 0.000 0.481 15 V N 2.709 122.608 119.914 -0.024 0.000 3.359 15 V HA -0.018 4.102 4.120 -0.001 0.000 0.245 15 V C 1.844 177.911 176.094 -0.045 0.000 1.247 15 V CA 0.764 63.045 62.300 -0.032 0.000 1.145 15 V CB 0.031 31.839 31.823 -0.025 0.000 0.906 15 V HN 0.703 nan 8.190 nan 0.000 0.464 16 T N 0.800 115.329 114.554 -0.042 0.000 2.777 16 T HA -0.178 4.171 4.350 -0.001 0.000 0.266 16 T C 1.972 176.633 174.700 -0.066 0.000 1.040 16 T CA 1.951 64.021 62.100 -0.051 0.000 1.141 16 T CB -0.135 68.709 68.868 -0.041 0.000 0.868 16 T HN 0.401 nan 8.240 nan 0.000 0.444 17 V N 1.021 120.900 119.914 -0.058 0.000 2.427 17 V HA -0.071 4.048 4.120 -0.001 0.000 0.248 17 V C 1.957 177.986 176.094 -0.109 0.000 1.051 17 V CA 1.746 64.007 62.300 -0.065 0.000 1.048 17 V CB -0.618 31.183 31.823 -0.036 0.000 0.666 17 V HN 0.455 nan 8.190 nan 0.000 0.456 18 E N 0.173 120.310 120.200 -0.105 0.000 2.347 18 E HA -0.068 4.281 4.350 -0.001 0.000 0.196 18 E C 2.076 178.555 176.600 -0.203 0.000 1.008 18 E CA 1.467 57.775 56.400 -0.153 0.000 0.852 18 E CB -0.023 29.622 29.700 -0.090 0.000 0.783 18 E HN 0.760 nan 8.360 nan 0.000 0.505 19 T N 0.210 114.672 114.554 -0.154 0.000 2.925 19 T HA -0.006 4.343 4.350 -0.001 0.000 0.245 19 T C 1.543 176.145 174.700 -0.164 0.000 1.025 19 T CA 0.452 62.466 62.100 -0.143 0.000 1.149 19 T CB 0.003 68.816 68.868 -0.093 0.000 0.866 19 T HN 0.114 nan 8.240 nan 0.000 0.437 20 E N 0.830 120.946 120.200 -0.141 0.000 2.072 20 E HA -0.029 4.320 4.350 -0.001 0.000 0.190 20 E C 2.070 178.572 176.600 -0.164 0.000 0.982 20 E CA 0.800 57.125 56.400 -0.125 0.000 0.803 20 E CB -0.188 29.463 29.700 -0.081 0.000 0.755 20 E HN 0.183 nan 8.360 nan 0.000 0.453 21 M N 0.839 120.308 119.600 -0.220 0.000 2.086 21 M HA -0.067 4.413 4.480 -0.001 0.000 0.261 21 M C -1.158 174.892 176.300 -0.416 0.000 1.067 21 M CA 1.586 56.745 55.300 -0.236 0.000 1.116 21 M CB -0.735 31.772 32.600 -0.156 0.000 1.348 21 M HN -0.062 nan 8.290 nan 0.000 0.407 22 P HA 0.019 nan 4.420 nan 0.000 0.216 22 P C 1.114 178.277 177.300 -0.228 0.000 1.153 22 P CA 1.906 64.604 63.100 -0.671 0.000 0.844 22 P CB -0.275 30.989 31.700 -0.726 0.000 0.787 23 A N -0.458 122.250 122.820 -0.187 0.000 1.877 23 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 23 A C 2.100 179.652 177.584 -0.053 0.000 1.186 23 A CA 1.441 53.423 52.037 -0.092 0.000 0.620 23 A CB -1.689 17.263 19.000 -0.081 0.000 0.822 23 A HN 0.061 nan 8.150 nan 0.000 0.443 24 L N -1.101 120.083 121.223 -0.065 0.000 1.970 24 L HA -0.101 4.238 4.340 -0.001 0.000 0.212 24 L C 2.275 179.139 176.870 -0.011 0.000 1.071 24 L CA 1.716 56.537 54.840 -0.032 0.000 0.751 24 L CB -1.065 40.971 42.059 -0.039 0.000 0.889 24 L HN 0.355 nan 8.230 nan 0.000 0.432 25 L N -0.645 120.551 121.223 -0.044 0.000 2.465 25 L HA -0.046 4.293 4.340 -0.001 0.000 0.224 25 L C 2.470 179.369 176.870 0.048 0.000 1.145 25 L CA 1.379 56.157 54.840 -0.103 0.000 0.834 25 L CB -0.744 41.157 42.059 -0.264 0.000 0.944 25 L HN 0.486 nan 8.230 nan 0.000 0.451 26 S N -2.172 113.592 115.700 0.107 0.000 2.562 26 S HA -0.050 4.420 4.470 -0.001 0.000 0.221 26 S C 1.924 176.620 174.600 0.159 0.000 0.975 26 S CA 0.103 58.409 58.200 0.177 0.000 0.918 26 S CB -0.248 63.022 63.200 0.116 0.000 0.772 26 S HN 0.375 nan 8.310 nan 0.000 0.531 27 R N 0.498 121.076 120.500 0.131 0.000 2.297 27 R HA 0.205 4.544 4.340 -0.001 0.000 0.197 27 R C 0.629 177.011 176.300 0.136 0.000 0.943 27 R CA 0.085 56.249 56.100 0.106 0.000 1.038 27 R CB -0.115 30.222 30.300 0.061 0.000 0.957 27 R HN 0.517 nan 8.270 nan 0.000 0.484 28 H N 1.412 120.551 119.070 0.115 0.000 2.848 28 H HA 0.048 4.604 4.556 -0.001 0.000 0.317 28 H C -1.726 173.672 175.328 0.117 0.000 1.046 28 H CA -1.680 54.447 56.048 0.131 0.000 1.470 28 H CB 1.589 31.479 29.762 0.214 0.000 1.483 28 H HN -0.082 nan 8.280 nan 0.000 0.548 29 P HA -0.005 nan 4.420 nan 0.000 0.223 29 P C 1.128 178.494 177.300 0.111 0.000 1.151 29 P CA 1.178 64.280 63.100 0.004 0.000 0.787 29 P CB 0.328 31.974 31.700 -0.089 0.000 0.788 30 G N -1.859 107.122 108.800 0.301 0.000 2.939 30 G HA2 0.478 4.437 3.960 -0.001 0.000 0.216 30 G HA3 0.478 4.437 3.960 -0.001 0.000 0.216 30 G C 0.240 175.269 174.900 0.215 0.000 1.125 30 G CA 0.527 45.800 45.100 0.290 0.000 0.766 30 G HN 0.477 nan 8.290 nan 0.000 0.541 31 A N -0.166 122.818 122.820 0.274 0.000 2.515 31 A HA 0.776 5.096 4.320 -0.001 0.000 0.298 31 A C -1.643 175.895 177.584 -0.078 0.000 1.059 31 A CA -0.554 51.427 52.037 -0.093 0.000 0.698 31 A CB 2.185 20.947 19.000 -0.397 0.000 1.289 31 A HN 0.009 nan 8.150 nan 0.000 0.404 32 E N 0.333 120.314 120.200 -0.364 0.000 2.210 32 E HA 0.737 5.086 4.350 -0.001 0.000 0.266 32 E C -1.533 174.829 176.600 -0.397 0.000 0.883 32 E CA -0.126 56.192 56.400 -0.136 0.000 0.761 32 E CB 1.069 30.732 29.700 -0.062 0.000 1.156 32 E HN 0.439 nan 8.360 nan 0.000 0.412 33 F N 0.857 120.828 119.950 0.035 0.000 2.594 33 F HA 0.656 5.182 4.527 -0.001 0.000 0.335 33 F C 0.400 176.195 175.800 -0.010 0.000 1.058 33 F CA -0.912 57.063 58.000 -0.042 0.000 0.981 33 F CB 1.929 40.857 39.000 -0.120 0.000 1.289 33 F HN 0.394 nan 8.300 nan 0.000 0.490 34 S N 0.036 115.745 115.700 0.015 0.000 2.569 34 S HA 0.795 5.265 4.470 -0.001 0.000 0.280 34 S C -1.461 172.889 174.600 -0.417 0.000 1.111 34 S CA -0.738 57.454 58.200 -0.013 0.000 0.887 34 S CB 1.600 64.859 63.200 0.098 0.000 1.095 34 S HN 0.407 nan 8.310 nan 0.000 0.476 35 F N 1.028 120.732 119.950 -0.410 0.000 2.532 35 F HA 0.577 5.103 4.527 -0.001 0.000 0.321 35 F C 0.326 175.666 175.800 -0.767 0.000 1.089 35 F CA -0.549 57.224 58.000 -0.379 0.000 0.926 35 F CB 2.096 40.998 39.000 -0.163 0.000 1.168 35 F HN 0.602 nan 8.300 nan 0.000 0.459 36 H N 1.061 120.216 119.070 0.143 0.000 2.934 36 H HA 0.392 4.947 4.556 -0.001 0.000 0.340 36 H C -1.201 174.173 175.328 0.076 0.000 1.008 36 H CA -0.702 55.397 56.048 0.085 0.000 1.317 36 H CB 2.083 31.867 29.762 0.037 0.000 1.670 36 H HN 0.466 nan 8.280 nan 0.000 0.516 37 S N 1.241 117.025 115.700 0.140 0.000 2.638 37 S HA 0.526 4.995 4.470 -0.001 0.000 0.298 37 S C 0.221 174.858 174.600 0.063 0.000 1.111 37 S CA -0.549 57.702 58.200 0.085 0.000 1.027 37 S CB 2.549 65.781 63.200 0.053 0.000 1.064 37 S HN 0.633 nan 8.310 nan 0.000 0.525 38 T N 1.368 115.942 114.554 0.033 0.000 2.909 38 T HA 0.543 4.892 4.350 -0.001 0.000 0.299 38 T C -1.396 173.298 174.700 -0.009 0.000 1.073 38 T CA -0.739 61.371 62.100 0.017 0.000 0.999 38 T CB 0.776 69.655 68.868 0.019 0.000 1.098 38 T HN 0.515 nan 8.240 nan 0.000 0.477 39 R N 3.361 123.856 120.500 -0.009 0.000 2.494 39 R HA 0.608 4.947 4.340 -0.001 0.000 0.305 39 R C -0.456 175.831 176.300 -0.023 0.000 0.959 39 R CA -0.742 55.346 56.100 -0.021 0.000 0.864 39 R CB 1.890 32.185 30.300 -0.008 0.000 1.159 39 R HN 0.631 nan 8.270 nan 0.000 0.446 40 M N 1.498 121.073 119.600 -0.041 0.000 2.227 40 M HA 0.522 5.001 4.480 -0.001 0.000 0.335 40 M C -0.180 176.106 176.300 -0.023 0.000 1.053 40 M CA -0.955 54.328 55.300 -0.029 0.000 0.973 40 M CB 1.936 34.512 32.600 -0.040 0.000 1.623 40 M HN 0.084 nan 8.290 nan 0.000 0.434 41 R N 3.753 124.250 120.500 -0.006 0.000 2.484 41 R HA 0.358 4.697 4.340 -0.001 0.000 0.293 41 R C -0.821 175.465 176.300 -0.022 0.000 1.023 41 R CA 0.520 56.624 56.100 0.006 0.000 1.037 41 R CB 0.540 30.857 30.300 0.029 0.000 0.951 41 R HN 0.867 nan 8.270 nan 0.000 0.418 42 M N 3.774 123.357 119.600 -0.027 0.000 2.298 42 M HA 0.068 4.547 4.480 -0.001 0.000 0.255 42 M C 0.134 176.396 176.300 -0.064 0.000 1.021 42 M CA -0.311 54.925 55.300 -0.107 0.000 0.968 42 M CB 1.372 33.920 32.600 -0.086 0.000 2.037 42 M HN 0.822 nan 8.290 nan 0.000 0.478 43 H N 1.391 120.460 119.070 -0.001 0.000 2.681 43 H HA 0.296 4.851 4.556 -0.001 0.000 0.268 43 H C 0.120 175.452 175.328 0.006 0.000 0.967 43 H CA 0.452 56.501 56.048 0.002 0.000 1.233 43 H CB 0.622 30.385 29.762 0.001 0.000 1.445 43 H HN 0.559 nan 8.280 nan 0.000 0.494 44 T N -0.346 114.142 114.554 -0.111 0.000 2.900 44 T HA 0.515 4.864 4.350 -0.001 0.000 0.295 44 T C -0.566 174.098 174.700 -0.059 0.000 1.044 44 T CA -0.830 61.270 62.100 -0.001 0.000 0.995 44 T CB 2.707 71.626 68.868 0.086 0.000 1.072 44 T HN -0.001 nan 8.240 nan 0.000 0.473 45 V N 3.548 123.459 119.914 -0.006 0.000 2.368 45 V HA 0.636 4.755 4.120 -0.001 0.000 0.266 45 V C 0.442 176.521 176.094 -0.026 0.000 1.045 45 V CA -0.196 62.094 62.300 -0.018 0.000 0.899 45 V CB -0.198 31.645 31.823 0.033 0.000 1.006 45 V HN 1.226 nan 8.190 nan 0.000 0.470 46 S N 4.796 120.463 115.700 -0.054 0.000 2.596 46 S HA 0.619 5.088 4.470 -0.001 0.000 0.270 46 S C -2.530 172.035 174.600 -0.058 0.000 1.155 46 S CA -1.311 56.862 58.200 -0.045 0.000 0.827 46 S CB 2.302 65.483 63.200 -0.031 0.000 1.130 46 S HN 0.264 nan 8.310 nan 0.000 0.467 47 P HA -0.022 nan 4.420 nan 0.000 0.215 47 P C 1.292 178.566 177.300 -0.042 0.000 1.153 47 P CA 1.050 64.121 63.100 -0.048 0.000 0.853 47 P CB 0.140 31.819 31.700 -0.035 0.000 0.788 48 E N -0.647 119.531 120.200 -0.036 0.000 2.170 48 E HA -0.025 4.324 4.350 -0.001 0.000 0.191 48 E C 2.158 178.728 176.600 -0.050 0.000 0.981 48 E CA 1.050 57.430 56.400 -0.033 0.000 0.830 48 E CB -0.872 28.816 29.700 -0.020 0.000 0.775 48 E HN 0.090 nan 8.360 nan 0.000 0.470 49 G N 1.423 110.179 108.800 -0.073 0.000 2.446 49 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.217 49 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.217 49 G C 1.472 176.311 174.900 -0.101 0.000 1.168 49 G CA 0.562 45.588 45.100 -0.123 0.000 0.771 49 G HN 0.210 nan 8.290 nan 0.000 0.551 50 L N 1.167 122.343 121.223 -0.078 0.000 2.141 50 L HA 0.121 4.460 4.340 -0.001 0.000 0.209 50 L C 3.198 180.046 176.870 -0.037 0.000 1.094 50 L CA 1.463 56.267 54.840 -0.060 0.000 0.763 50 L CB -1.311 40.707 42.059 -0.067 0.000 0.908 50 L HN 0.328 nan 8.230 nan 0.000 0.437 51 A N -0.600 122.199 122.820 -0.036 0.000 1.897 51 A HA -0.024 4.295 4.320 -0.001 0.000 0.215 51 A C 2.465 180.041 177.584 -0.013 0.000 1.181 51 A CA 1.432 53.457 52.037 -0.020 0.000 0.620 51 A CB -0.596 18.392 19.000 -0.020 0.000 0.821 51 A HN 0.347 nan 8.150 nan 0.000 0.443 52 A N -1.105 121.703 122.820 -0.021 0.000 2.015 52 A HA -0.033 4.286 4.320 -0.001 0.000 0.219 52 A C 2.184 179.762 177.584 -0.010 0.000 1.163 52 A CA 1.657 53.686 52.037 -0.014 0.000 0.646 52 A CB -0.446 18.542 19.000 -0.019 0.000 0.806 52 A HN 0.500 nan 8.150 nan 0.000 0.448 53 M N -0.097 119.490 119.600 -0.021 0.000 2.156 53 M HA -0.103 4.377 4.480 -0.001 0.000 0.264 53 M C 1.476 177.787 176.300 0.018 0.000 1.067 53 M CA 1.327 56.618 55.300 -0.015 0.000 1.131 53 M CB -0.767 31.809 32.600 -0.039 0.000 1.368 53 M HN 0.422 nan 8.290 nan 0.000 0.416 54 N N 1.060 119.779 118.700 0.033 0.000 2.149 54 N HA -0.122 4.617 4.740 -0.001 0.000 0.188 54 N C 1.586 177.133 175.510 0.062 0.000 1.019 54 N CA 1.621 54.715 53.050 0.074 0.000 0.857 54 N CB -0.349 38.171 38.487 0.054 0.000 0.997 54 N HN 0.407 nan 8.380 nan 0.000 0.426 55 A N 1.017 123.857 122.820 0.033 0.000 2.131 55 A HA -0.134 4.186 4.320 -0.001 0.000 0.220 55 A C 1.870 179.474 177.584 0.033 0.000 1.158 55 A CA 1.043 53.096 52.037 0.027 0.000 0.665 55 A CB -0.254 18.756 19.000 0.016 0.000 0.795 55 A HN 0.354 nan 8.150 nan 0.000 0.460 56 Q N -1.173 118.651 119.800 0.039 0.000 2.360 56 Q HA 0.061 4.401 4.340 -0.001 0.000 0.202 56 Q C 1.885 177.919 176.000 0.057 0.000 0.915 56 Q CA -0.215 55.611 55.803 0.038 0.000 0.943 56 Q CB 0.061 28.814 28.738 0.025 0.000 1.064 56 Q HN 0.659 nan 8.270 nan 0.000 0.511 57 R N 1.606 122.160 120.500 0.090 0.000 2.096 57 R HA -0.195 4.144 4.340 -0.001 0.000 0.240 57 R C 1.432 177.793 176.300 0.102 0.000 1.139 57 R CA 1.568 57.755 56.100 0.144 0.000 0.952 57 R CB 0.123 30.532 30.300 0.181 0.000 0.854 57 R HN 0.354 nan 8.270 nan 0.000 0.436 58 E N -0.277 119.962 120.200 0.065 0.000 2.085 58 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 58 E C 2.243 178.868 176.600 0.041 0.000 0.994 58 E CA 0.988 57.416 56.400 0.046 0.000 0.801 58 E CB -0.110 29.608 29.700 0.031 0.000 0.743 58 E HN 0.312 nan 8.360 nan 0.000 0.453 59 R N 0.268 120.790 120.500 0.037 0.000 2.103 59 R HA -0.195 4.145 4.340 -0.001 0.000 0.234 59 R C 2.563 178.883 176.300 0.034 0.000 1.132 59 R CA 1.969 58.087 56.100 0.030 0.000 0.925 59 R CB -0.606 29.710 30.300 0.026 0.000 0.842 59 R HN 0.283 nan 8.270 nan 0.000 0.430 60 C N -0.166 119.158 119.300 0.040 0.000 2.413 60 C HA -0.081 4.378 4.460 -0.001 0.000 0.276 60 C C 2.719 177.737 174.990 0.047 0.000 1.248 60 C CA 0.430 59.470 59.018 0.036 0.000 1.742 60 C CB -0.771 26.985 27.740 0.027 0.000 2.017 60 C HN 0.363 nan 8.230 nan 0.000 0.481 61 V N 0.940 120.892 119.914 0.063 0.000 2.261 61 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 61 V C 2.406 178.524 176.094 0.040 0.000 1.047 61 V CA 2.029 64.366 62.300 0.063 0.000 1.015 61 V CB -0.750 31.116 31.823 0.071 0.000 0.642 61 V HN 0.542 nan 8.190 nan 0.000 0.446 62 L N -0.307 120.935 121.223 0.033 0.000 2.021 62 L HA -0.299 4.040 4.340 -0.001 0.000 0.215 62 L C 2.642 179.523 176.870 0.018 0.000 1.074 62 L CA 2.080 56.933 54.840 0.022 0.000 0.760 62 L CB -0.754 41.317 42.059 0.019 0.000 0.889 62 L HN 0.436 nan 8.230 nan 0.000 0.433 63 E N -0.227 119.986 120.200 0.022 0.000 2.049 63 E HA -0.290 4.060 4.350 -0.001 0.000 0.198 63 E C 2.111 178.723 176.600 0.019 0.000 1.007 63 E CA 1.701 58.113 56.400 0.019 0.000 0.809 63 E CB -0.185 29.528 29.700 0.022 0.000 0.749 63 E HN 0.345 nan 8.360 nan 0.000 0.450 64 I N 0.757 121.343 120.570 0.026 0.000 2.406 64 I HA -0.117 4.052 4.170 -0.001 0.000 0.249 64 I C 2.123 178.247 176.117 0.011 0.000 1.122 64 I CA 0.926 62.242 61.300 0.028 0.000 1.431 64 I CB -0.310 37.716 38.000 0.044 0.000 1.087 64 I HN 0.019 nan 8.210 nan 0.000 0.424 65 A N 0.089 122.918 122.820 0.014 0.000 1.958 65 A HA -0.297 4.022 4.320 -0.001 0.000 0.221 65 A C 1.937 179.515 177.584 -0.011 0.000 1.178 65 A CA 2.295 54.334 52.037 0.004 0.000 0.642 65 A CB -1.004 18.002 19.000 0.010 0.000 0.816 65 A HN 0.481 nan 8.150 nan 0.000 0.453 66 D N -0.150 120.244 120.400 -0.010 0.000 2.221 66 D HA -0.057 4.583 4.640 -0.001 0.000 0.204 66 D C 1.872 178.146 176.300 -0.044 0.000 0.982 66 D CA 1.386 55.374 54.000 -0.020 0.000 0.857 66 D CB -0.284 40.509 40.800 -0.012 0.000 0.934 66 D HN 0.508 nan 8.370 nan 0.000 0.475 67 A N 0.103 122.887 122.820 -0.060 0.000 2.238 67 A HA 0.432 4.751 4.320 -0.001 0.000 0.208 67 A C 1.215 178.718 177.584 -0.136 0.000 1.177 67 A CA 0.844 52.804 52.037 -0.129 0.000 0.804 67 A CB -0.204 18.692 19.000 -0.172 0.000 0.823 67 A HN 0.226 nan 8.150 nan 0.000 0.482 68 A N -0.110 122.663 122.820 -0.077 0.000 2.519 68 A HA -0.082 4.238 4.320 -0.001 0.000 0.297 68 A C -1.620 175.924 177.584 -0.067 0.000 1.472 68 A CA 0.472 52.471 52.037 -0.062 0.000 0.739 68 A CB -2.052 16.912 19.000 -0.060 0.000 1.096 68 A HN 0.514 nan 8.150 nan 0.000 0.414 69 P HA 0.257 nan 4.420 nan 0.000 0.274 69 P C 0.832 178.122 177.300 -0.017 0.000 1.231 69 P CA -0.182 62.901 63.100 -0.028 0.000 0.790 69 P CB 0.722 32.423 31.700 0.002 0.000 0.951 70 E N 0.154 120.345 120.200 -0.015 0.000 2.028 70 E HA -0.032 4.317 4.350 -0.001 0.000 0.190 70 E C 0.712 177.313 176.600 0.003 0.000 0.984 70 E CA 1.165 57.559 56.400 -0.010 0.000 0.800 70 E CB 0.004 29.695 29.700 -0.015 0.000 0.758 70 E HN 0.430 nan 8.360 nan 0.000 0.448 71 V N -1.206 118.714 119.914 0.010 0.000 3.001 71 V HA 0.564 4.683 4.120 -0.001 0.000 0.314 71 V C -0.510 175.601 176.094 0.028 0.000 1.099 71 V CA -1.022 61.290 62.300 0.020 0.000 0.989 71 V CB 2.017 33.853 31.823 0.021 0.000 1.040 71 V HN -0.038 nan 8.190 nan 0.000 0.434 72 I N 2.938 123.535 120.570 0.045 0.000 2.509 72 I HA 0.523 4.692 4.170 -0.001 0.000 0.293 72 I C -1.119 175.047 176.117 0.082 0.000 1.020 72 I CA -0.719 60.619 61.300 0.063 0.000 1.088 72 I CB 2.011 40.056 38.000 0.074 0.000 1.267 72 I HN 0.592 nan 8.210 nan 0.000 0.430 73 L N 7.029 128.304 121.223 0.086 0.000 2.298 73 L HA 0.360 4.699 4.340 -0.001 0.000 0.284 73 L C -1.117 175.821 176.870 0.113 0.000 1.013 73 L CA -0.305 54.595 54.840 0.099 0.000 0.824 73 L CB 0.906 43.013 42.059 0.080 0.000 1.221 73 L HN 0.450 nan 8.230 nan 0.000 0.418 74 Y N 4.938 125.255 120.300 0.029 0.000 2.594 74 Y HA 0.404 4.954 4.550 -0.001 0.000 0.344 74 Y C 1.141 177.049 175.900 0.013 0.000 1.185 74 Y CA -0.031 58.082 58.100 0.021 0.000 1.565 74 Y CB 0.848 39.320 38.460 0.020 0.000 1.415 74 Y HN 0.802 nan 8.280 nan 0.000 0.488 75 A N 3.662 126.417 122.820 -0.108 0.000 2.258 75 A HA -0.038 4.281 4.320 -0.001 0.000 0.206 75 A C 0.805 178.348 177.584 -0.069 0.000 1.222 75 A CA 0.143 52.149 52.037 -0.052 0.000 0.822 75 A CB -0.877 18.092 19.000 -0.052 0.000 0.804 75 A HN 0.673 nan 8.150 nan 0.000 0.483 76 C N 1.368 120.602 119.300 -0.110 0.000 2.138 76 C HA 0.343 4.802 4.460 -0.001 0.000 0.398 76 C C 1.807 176.830 174.990 0.055 0.000 1.029 76 C CA -0.741 58.243 59.018 -0.056 0.000 1.426 76 C CB -1.843 25.806 27.740 -0.152 0.000 1.652 76 C HN 0.638 nan 8.230 nan 0.000 0.486 77 L N 3.948 125.183 121.223 0.020 0.000 1.970 77 L HA -0.050 4.290 4.340 -0.001 0.000 0.212 77 L C 2.305 179.124 176.870 -0.085 0.000 1.071 77 L CA 2.262 57.097 54.840 -0.008 0.000 0.751 77 L CB -0.891 41.183 42.059 0.026 0.000 0.889 77 L HN 0.494 nan 8.230 nan 0.000 0.432 78 V N -0.037 119.814 119.914 -0.106 0.000 3.461 78 V HA 0.023 4.142 4.120 -0.001 0.000 0.267 78 V C 2.427 178.398 176.094 -0.206 0.000 1.186 78 V CA 1.018 63.160 62.300 -0.263 0.000 1.154 78 V CB 0.011 31.541 31.823 -0.487 0.000 0.802 78 V HN 0.513 nan 8.190 nan 0.000 0.474 79 A N -0.895 121.863 122.820 -0.104 0.000 2.072 79 A HA 0.034 4.353 4.320 -0.001 0.000 0.216 79 A C 2.112 179.658 177.584 -0.063 0.000 1.156 79 A CA 1.465 53.468 52.037 -0.057 0.000 0.701 79 A CB -0.063 18.952 19.000 0.026 0.000 0.816 79 A HN 0.396 nan 8.150 nan 0.000 0.458 80 V N -0.432 119.422 119.914 -0.099 0.000 2.500 80 V HA -0.096 4.023 4.120 -0.001 0.000 0.243 80 V C 2.311 178.202 176.094 -0.338 0.000 1.039 80 V CA 1.556 63.761 62.300 -0.158 0.000 1.053 80 V CB -0.488 31.258 31.823 -0.127 0.000 0.695 80 V HN 0.530 nan 8.190 nan 0.000 0.463 81 M N 0.647 119.951 119.600 -0.493 0.000 2.659 81 M HA -0.010 4.469 4.480 -0.001 0.000 0.243 81 M C 1.824 177.946 176.300 -0.297 0.000 1.111 81 M CA 0.832 55.672 55.300 -0.768 0.000 1.070 81 M CB -0.132 32.041 32.600 -0.712 0.000 1.525 81 M HN 0.465 nan 8.290 nan 0.000 0.517 82 V N -3.418 116.374 119.914 -0.202 0.000 3.461 82 V HA 0.170 4.290 4.120 -0.001 0.000 0.267 82 V C 1.692 177.767 176.094 -0.031 0.000 1.186 82 V CA 1.361 63.599 62.300 -0.104 0.000 1.154 82 V CB -1.331 30.425 31.823 -0.112 0.000 0.802 82 V HN 0.426 nan 8.190 nan 0.000 0.474 83 G N -0.153 108.637 108.800 -0.016 0.000 3.141 83 G HA2 0.497 4.456 3.960 -0.001 0.000 0.218 83 G HA3 0.497 4.456 3.960 -0.001 0.000 0.218 83 G C 0.811 175.767 174.900 0.093 0.000 1.170 83 G CA 0.414 45.530 45.100 0.027 0.000 0.769 83 G HN 1.472 nan 8.290 nan 0.000 0.546 84 G N -0.257 108.641 108.800 0.164 0.000 2.690 84 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.686 84 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.686 84 G C -3.033 171.973 174.900 0.177 0.000 1.277 84 G CA -0.935 44.247 45.100 0.136 0.000 0.799 84 G HN 0.150 nan 8.290 nan 0.000 0.613 85 P HA 0.364 nan 4.420 nan 0.000 0.264 85 P C 1.133 178.419 177.300 -0.024 0.000 1.193 85 P CA 2.093 65.132 63.100 -0.102 0.000 0.763 85 P CB 0.688 32.329 31.700 -0.097 0.000 0.810 86 G N 2.919 111.686 108.800 -0.054 0.000 2.159 86 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.256 86 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.256 86 G C 1.131 176.073 174.900 0.069 0.000 0.977 86 G CA 0.527 45.666 45.100 0.066 0.000 0.652 86 G HN 0.518 nan 8.290 nan 0.000 0.531 87 E N 1.088 121.426 120.200 0.230 0.000 2.130 87 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 87 E C 2.200 178.831 176.600 0.052 0.000 0.998 87 E CA 2.165 58.655 56.400 0.150 0.000 0.806 87 E CB -0.423 29.391 29.700 0.189 0.000 0.738 87 E HN 0.851 nan 8.360 nan 0.000 0.459 88 H N -1.389 117.731 119.070 0.084 0.000 2.421 88 H HA -0.115 4.440 4.556 -0.001 0.000 0.298 88 H C 1.506 176.781 175.328 -0.088 0.000 1.087 88 H CA 1.593 57.607 56.048 -0.056 0.000 1.330 88 H CB -0.490 29.235 29.762 -0.062 0.000 1.388 88 H HN 0.344 nan 8.280 nan 0.000 0.526 89 H N 1.650 120.401 119.070 -0.531 0.000 2.321 89 H HA 0.002 4.558 4.556 -0.001 0.000 0.300 89 H C 2.487 177.729 175.328 -0.143 0.000 1.087 89 H CA 1.306 57.164 56.048 -0.317 0.000 1.319 89 H CB 0.076 29.650 29.762 -0.314 0.000 1.379 89 H HN 0.417 nan 8.280 nan 0.000 0.501 90 R N 0.178 120.680 120.500 0.003 0.000 2.081 90 R HA -0.066 4.273 4.340 -0.001 0.000 0.235 90 R C 2.538 178.807 176.300 -0.051 0.000 1.131 90 R CA 1.086 57.176 56.100 -0.017 0.000 0.960 90 R CB -0.419 29.873 30.300 -0.014 0.000 0.856 90 R HN 0.052 nan 8.270 nan 0.000 0.436 91 V N 1.540 121.402 119.914 -0.087 0.000 2.343 91 V HA -0.243 3.876 4.120 -0.001 0.000 0.247 91 V C 2.097 178.090 176.094 -0.169 0.000 1.051 91 V CA 1.832 64.027 62.300 -0.175 0.000 1.036 91 V CB -0.401 31.259 31.823 -0.273 0.000 0.654 91 V HN 0.349 nan 8.190 nan 0.000 0.451 92 E N 0.386 120.528 120.200 -0.097 0.000 2.028 92 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 92 E C 2.376 178.965 176.600 -0.018 0.000 0.988 92 E CA 1.656 58.031 56.400 -0.042 0.000 0.799 92 E CB -0.242 29.475 29.700 0.029 0.000 0.755 92 E HN 0.733 nan 8.360 nan 0.000 0.447 93 S N 0.761 116.458 115.700 -0.006 0.000 2.423 93 S HA -0.046 4.423 4.470 -0.001 0.000 0.231 93 S C 2.186 176.779 174.600 -0.013 0.000 1.014 93 S CA 0.778 58.977 58.200 -0.001 0.000 0.965 93 S CB -0.069 63.133 63.200 0.003 0.000 0.785 93 S HN 0.269 nan 8.310 nan 0.000 0.495 94 A N 1.546 124.348 122.820 -0.030 0.000 1.908 94 A HA 0.032 4.351 4.320 -0.001 0.000 0.218 94 A C 2.387 179.959 177.584 -0.019 0.000 1.181 94 A CA 1.809 53.828 52.037 -0.029 0.000 0.627 94 A CB -1.075 17.898 19.000 -0.045 0.000 0.818 94 A HN 0.489 nan 8.150 nan 0.000 0.445 95 V N -0.393 119.506 119.914 -0.025 0.000 2.379 95 V HA -0.155 3.964 4.120 -0.001 0.000 0.245 95 V C 2.994 179.095 176.094 0.012 0.000 1.044 95 V CA 1.644 63.945 62.300 0.001 0.000 1.036 95 V CB -1.151 30.678 31.823 0.011 0.000 0.664 95 V HN 0.595 nan 8.190 nan 0.000 0.453 96 A N -0.389 122.437 122.820 0.009 0.000 2.019 96 A HA -0.256 4.063 4.320 -0.001 0.000 0.219 96 A C 2.281 179.871 177.584 0.010 0.000 1.164 96 A CA 2.021 54.067 52.037 0.014 0.000 0.644 96 A CB -0.349 18.661 19.000 0.016 0.000 0.805 96 A HN 0.650 nan 8.150 nan 0.000 0.449 97 E N -0.924 119.279 120.200 0.005 0.000 2.140 97 E HA -0.133 4.216 4.350 -0.001 0.000 0.191 97 E C 2.128 178.731 176.600 0.005 0.000 0.973 97 E CA 0.651 57.053 56.400 0.003 0.000 0.829 97 E CB -0.177 29.523 29.700 -0.001 0.000 0.781 97 E HN 0.739 nan 8.360 nan 0.000 0.466 98 Q N 0.540 120.344 119.800 0.007 0.000 2.084 98 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 98 Q C 2.238 178.246 176.000 0.012 0.000 0.978 98 Q CA 1.289 57.098 55.803 0.010 0.000 0.844 98 Q CB 0.027 28.774 28.738 0.016 0.000 0.898 98 Q HN 0.348 nan 8.270 nan 0.000 0.426 99 L N -0.050 121.181 121.223 0.014 0.000 2.027 99 L HA -0.123 4.216 4.340 -0.001 0.000 0.206 99 L C 2.571 179.446 176.870 0.009 0.000 1.074 99 L CA 1.011 55.860 54.840 0.014 0.000 0.745 99 L CB -0.552 41.517 42.059 0.018 0.000 0.898 99 L HN 0.268 nan 8.230 nan 0.000 0.433 100 A N -0.648 122.177 122.820 0.007 0.000 1.969 100 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 100 A C 2.346 179.932 177.584 0.003 0.000 1.169 100 A CA 2.152 54.191 52.037 0.005 0.000 0.635 100 A CB -0.839 18.164 19.000 0.004 0.000 0.810 100 A HN 0.375 nan 8.150 nan 0.000 0.445 101 T N -0.249 114.307 114.554 0.004 0.000 2.788 101 T HA -0.049 4.300 4.350 -0.001 0.000 0.268 101 T C 1.732 176.433 174.700 0.003 0.000 1.044 101 T CA 1.423 63.525 62.100 0.003 0.000 1.139 101 T CB -0.381 68.489 68.868 0.003 0.000 0.867 101 T HN 0.564 nan 8.240 nan 0.000 0.454 102 G N -0.176 108.627 108.800 0.004 0.000 2.920 102 G HA2 0.363 4.323 3.960 -0.001 0.000 0.208 102 G HA3 0.363 4.323 3.960 -0.001 0.000 0.208 102 G C 1.147 176.048 174.900 0.001 0.000 1.159 102 G CA 0.327 45.428 45.100 0.003 0.000 0.784 102 G HN 0.753 nan 8.290 nan 0.000 0.535 103 G N -0.449 108.352 108.800 0.001 0.000 2.168 103 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.257 103 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.257 103 G C 0.494 175.393 174.900 -0.002 0.000 0.997 103 G CA 0.608 45.708 45.100 -0.001 0.000 0.708 103 G HN 0.936 nan 8.290 nan 0.000 0.520 104 S N -0.385 115.315 115.700 -0.000 0.000 2.545 104 S HA 0.489 4.959 4.470 -0.001 0.000 0.275 104 S C 1.330 175.930 174.600 -0.000 0.000 1.299 104 S CA -0.117 58.082 58.200 -0.001 0.000 1.048 104 S CB 0.830 64.031 63.200 0.002 0.000 0.938 104 S HN 0.295 nan 8.310 nan 0.000 0.496 105 Q N 2.383 122.181 119.800 -0.003 0.000 2.320 105 Q HA 0.275 4.614 4.340 -0.001 0.000 0.201 105 Q C 0.573 176.574 176.000 0.001 0.000 0.910 105 Q CA -0.005 55.797 55.803 -0.002 0.000 0.946 105 Q CB -0.429 28.305 28.738 -0.006 0.000 1.062 105 Q HN 0.674 nan 8.270 nan 0.000 0.503 106 A N 1.290 124.112 122.820 0.004 0.000 2.462 106 A HA 0.334 4.653 4.320 -0.001 0.000 0.243 106 A C 0.114 177.707 177.584 0.016 0.000 1.076 106 A CA -0.330 51.712 52.037 0.009 0.000 0.773 106 A CB 0.149 19.157 19.000 0.012 0.000 1.010 106 A HN 0.340 nan 8.150 nan 0.000 0.493 107 L N 1.857 123.091 121.223 0.018 0.000 2.452 107 L HA 0.367 4.706 4.340 -0.001 0.000 0.267 107 L C -0.247 176.645 176.870 0.037 0.000 1.188 107 L CA -0.317 54.538 54.840 0.025 0.000 0.821 107 L CB 0.873 42.945 42.059 0.021 0.000 1.102 107 L HN 0.409 nan 8.230 nan 0.000 0.470 108 V N 2.843 122.783 119.914 0.044 0.000 2.483 108 V HA 0.555 4.675 4.120 -0.001 0.000 0.297 108 V C -0.264 175.870 176.094 0.067 0.000 1.027 108 V CA -0.753 61.582 62.300 0.059 0.000 0.855 108 V CB 1.614 33.469 31.823 0.053 0.000 0.995 108 V HN 0.614 nan 8.190 nan 0.000 0.424 109 R N 2.377 122.924 120.500 0.079 0.000 2.750 109 R HA 0.754 5.093 4.340 -0.001 0.000 0.281 109 R C -0.402 175.965 176.300 0.111 0.000 0.972 109 R CA -0.570 55.581 56.100 0.084 0.000 0.912 109 R CB 2.272 32.612 30.300 0.067 0.000 1.187 109 R HN 0.841 nan 8.270 nan 0.000 0.464 110 S N -0.890 114.872 115.700 0.103 0.000 2.607 110 S HA 0.363 4.832 4.470 -0.001 0.000 0.303 110 S C 0.526 175.168 174.600 0.069 0.000 1.086 110 S CA -0.665 57.610 58.200 0.125 0.000 0.995 110 S CB 1.979 65.249 63.200 0.118 0.000 1.084 110 S HN 0.383 nan 8.310 nan 0.000 0.507 111 S N 0.851 116.595 115.700 0.074 0.000 2.406 111 S HA 0.036 4.505 4.470 -0.001 0.000 0.228 111 S C 2.087 176.679 174.600 -0.014 0.000 1.020 111 S CA 0.926 59.145 58.200 0.033 0.000 0.965 111 S CB -0.708 62.511 63.200 0.033 0.000 0.798 111 S HN 0.892 nan 8.310 nan 0.000 0.488 112 A N 1.601 124.398 122.820 -0.037 0.000 1.897 112 A HA 0.144 4.463 4.320 -0.001 0.000 0.215 112 A C 2.316 179.758 177.584 -0.238 0.000 1.181 112 A CA 1.554 53.518 52.037 -0.122 0.000 0.620 112 A CB -1.370 17.527 19.000 -0.171 0.000 0.821 112 A HN 0.497 nan 8.150 nan 0.000 0.443 113 G N -0.396 108.224 108.800 -0.300 0.000 2.418 113 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.217 113 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.217 113 G C 1.712 176.527 174.900 -0.142 0.000 1.158 113 G CA 1.441 46.283 45.100 -0.430 0.000 0.771 113 G HN 0.786 nan 8.290 nan 0.000 0.545 114 A N 0.218 123.017 122.820 -0.036 0.000 1.930 114 A HA 0.138 4.457 4.320 -0.001 0.000 0.217 114 A C 2.323 179.931 177.584 0.040 0.000 1.175 114 A CA 1.548 53.614 52.037 0.048 0.000 0.627 114 A CB -0.354 18.687 19.000 0.068 0.000 0.815 114 A HN 0.422 nan 8.150 nan 0.000 0.443 115 L N -0.073 121.139 121.223 -0.018 0.000 2.046 115 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 115 L C 2.364 179.199 176.870 -0.059 0.000 1.077 115 L CA 1.875 56.685 54.840 -0.049 0.000 0.747 115 L CB -0.528 41.491 42.059 -0.065 0.000 0.896 115 L HN 0.145 nan 8.230 nan 0.000 0.432 116 V N -0.031 119.871 119.914 -0.021 0.000 2.295 116 V HA -0.307 3.813 4.120 -0.001 0.000 0.246 116 V C 2.598 178.790 176.094 0.163 0.000 1.049 116 V CA 2.036 64.408 62.300 0.120 0.000 1.024 116 V CB -0.719 31.181 31.823 0.129 0.000 0.648 116 V HN 0.641 nan 8.190 nan 0.000 0.447 117 E N 0.246 120.512 120.200 0.111 0.000 2.153 117 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 117 E C 2.204 178.865 176.600 0.102 0.000 0.988 117 E CA 1.373 57.872 56.400 0.165 0.000 0.811 117 E CB -0.343 29.482 29.700 0.208 0.000 0.746 117 E HN 0.586 nan 8.360 nan 0.000 0.466 118 G N 1.410 110.207 108.800 -0.005 0.000 2.404 118 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.214 118 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.214 118 G C 1.600 176.377 174.900 -0.205 0.000 1.189 118 G CA 0.623 45.585 45.100 -0.230 0.000 0.789 118 G HN 0.212 nan 8.290 nan 0.000 0.533 119 L N 0.087 121.228 121.223 -0.137 0.000 2.064 119 L HA -0.197 4.142 4.340 -0.001 0.000 0.216 119 L C 3.176 180.088 176.870 0.070 0.000 1.077 119 L CA 1.406 56.179 54.840 -0.112 0.000 0.766 119 L CB -0.359 41.456 42.059 -0.405 0.000 0.890 119 L HN 0.153 nan 8.230 nan 0.000 0.435 120 R N -0.309 120.282 120.500 0.152 0.000 2.119 120 R HA 0.007 4.346 4.340 -0.001 0.000 0.222 120 R C 2.285 178.628 176.300 0.071 0.000 1.088 120 R CA 1.149 57.346 56.100 0.163 0.000 0.984 120 R CB -0.503 29.903 30.300 0.176 0.000 0.884 120 R HN 0.348 nan 8.270 nan 0.000 0.447 121 A N 0.933 123.752 122.820 -0.002 0.000 2.125 121 A HA -0.071 4.248 4.320 -0.001 0.000 0.219 121 A C 1.838 179.391 177.584 -0.053 0.000 1.156 121 A CA 1.030 53.041 52.037 -0.043 0.000 0.671 121 A CB -0.257 18.562 19.000 -0.302 0.000 0.794 121 A HN 0.190 nan 8.150 nan 0.000 0.459 122 L N -0.870 120.322 121.223 -0.052 0.000 2.769 122 L HA 0.122 4.461 4.340 -0.001 0.000 0.240 122 L C -0.268 176.612 176.870 0.016 0.000 1.163 122 L CA -0.192 54.628 54.840 -0.032 0.000 0.962 122 L CB -0.001 42.021 42.059 -0.060 0.000 1.258 122 L HN 0.204 nan 8.230 nan 0.000 0.513 123 D N 1.124 121.550 120.400 0.043 0.000 2.782 123 D HA -0.208 4.431 4.640 -0.001 0.000 0.230 123 D C 0.716 177.065 176.300 0.081 0.000 1.165 123 D CA 1.000 55.038 54.000 0.063 0.000 0.664 123 D CB -0.500 40.326 40.800 0.044 0.000 1.056 123 D HN 0.403 nan 8.370 nan 0.000 0.423 124 A N -0.201 122.682 122.820 0.105 0.000 2.445 124 A HA 0.275 4.594 4.320 -0.001 0.000 0.242 124 A C 1.240 178.956 177.584 0.221 0.000 1.075 124 A CA 0.471 52.578 52.037 0.117 0.000 0.777 124 A CB 1.168 20.200 19.000 0.054 0.000 1.013 124 A HN 0.180 nan 8.150 nan 0.000 0.493 125 Q N 0.716 120.621 119.800 0.176 0.000 2.570 125 Q HA 0.179 4.518 4.340 -0.001 0.000 0.222 125 Q C 0.148 176.261 176.000 0.188 0.000 0.769 125 Q CA 0.673 56.595 55.803 0.199 0.000 0.934 125 Q CB 0.364 29.158 28.738 0.093 0.000 1.309 125 Q HN 0.735 nan 8.270 nan 0.000 0.565 126 R N 0.402 120.967 120.500 0.110 0.000 2.265 126 R HA 0.595 4.935 4.340 -0.001 0.000 0.314 126 R C -1.183 175.151 176.300 0.057 0.000 1.053 126 R CA -0.237 55.913 56.100 0.083 0.000 0.931 126 R CB 1.680 32.010 30.300 0.051 0.000 1.024 126 R HN 0.002 nan 8.270 nan 0.000 0.457 127 V N 1.932 121.877 119.914 0.051 0.000 2.735 127 V HA 0.715 4.835 4.120 -0.001 0.000 0.310 127 V C -0.450 175.650 176.094 0.009 0.000 1.061 127 V CA -0.979 61.317 62.300 -0.007 0.000 0.913 127 V CB 1.992 33.761 31.823 -0.090 0.000 1.005 127 V HN 0.889 nan 8.190 nan 0.000 0.428 128 A N 4.354 127.163 122.820 -0.017 0.000 2.355 128 A HA 0.967 5.286 4.320 -0.001 0.000 0.324 128 A C -1.482 176.104 177.584 0.003 0.000 1.117 128 A CA -0.502 51.535 52.037 0.000 0.000 0.785 128 A CB 1.280 20.247 19.000 -0.054 0.000 1.254 128 A HN 0.602 nan 8.150 nan 0.000 0.453 129 L N 1.473 122.736 121.223 0.067 0.000 2.381 129 L HA 0.645 4.984 4.340 -0.001 0.000 0.268 129 L C -0.486 176.434 176.870 0.085 0.000 0.997 129 L CA -0.560 54.323 54.840 0.072 0.000 0.818 129 L CB 1.937 44.070 42.059 0.123 0.000 1.310 129 L HN 0.434 nan 8.230 nan 0.000 0.416 130 V N 1.075 121.008 119.914 0.033 0.000 2.540 130 V HA 0.828 4.947 4.120 -0.001 0.000 0.302 130 V C -0.206 175.866 176.094 -0.036 0.000 1.035 130 V CA -0.537 61.774 62.300 0.018 0.000 0.873 130 V CB 1.975 33.792 31.823 -0.010 0.000 0.992 130 V HN 0.887 nan 8.190 nan 0.000 0.428 131 T N 2.227 116.746 114.554 -0.057 0.000 2.916 131 T HA 0.516 4.865 4.350 -0.001 0.000 0.298 131 T C -2.297 172.239 174.700 -0.274 0.000 1.031 131 T CA -1.868 60.080 62.100 -0.254 0.000 0.993 131 T CB 2.740 71.528 68.868 -0.132 0.000 1.045 131 T HN 0.402 nan 8.240 nan 0.000 0.454 132 P HA 0.069 nan 4.420 nan 0.000 0.227 132 P C 0.103 177.311 177.300 -0.154 0.000 1.161 132 P CA 0.249 63.187 63.100 -0.271 0.000 0.788 132 P CB -0.236 31.304 31.700 -0.265 0.000 0.822 133 Y N 0.093 120.406 120.300 0.022 0.000 2.607 133 Y HA 0.031 4.580 4.550 -0.001 0.000 0.348 133 Y C 1.833 177.756 175.900 0.038 0.000 1.261 133 Y CA -0.496 57.612 58.100 0.013 0.000 1.480 133 Y CB -0.736 37.716 38.460 -0.014 0.000 1.358 133 Y HN -0.147 nan 8.280 nan 0.000 0.630 134 M N 2.020 121.745 119.600 0.208 0.000 2.243 134 M HA 0.099 4.579 4.480 -0.001 0.000 0.341 134 M C 1.392 177.781 176.300 0.148 0.000 1.130 134 M CA 0.100 55.484 55.300 0.140 0.000 1.162 134 M CB 0.625 33.282 32.600 0.096 0.000 1.497 134 M HN 0.760 nan 8.290 nan 0.000 0.456 135 R N 1.684 122.280 120.500 0.161 0.000 2.136 135 R HA -0.197 4.142 4.340 -0.001 0.000 0.242 135 R C -0.718 175.643 176.300 0.103 0.000 1.131 135 R CA 1.831 58.055 56.100 0.207 0.000 0.937 135 R CB -2.085 28.357 30.300 0.236 0.000 0.863 135 R HN 0.562 nan 8.270 nan 0.000 0.435 136 P HA -0.172 nan 4.420 nan 0.000 0.215 136 P C 1.566 178.845 177.300 -0.034 0.000 1.157 136 P CA 0.980 64.092 63.100 0.020 0.000 0.874 136 P CB -0.184 31.527 31.700 0.019 0.000 0.790 137 L N 0.050 121.253 121.223 -0.033 0.000 1.989 137 L HA -0.126 4.214 4.340 -0.001 0.000 0.211 137 L C 2.258 179.035 176.870 -0.155 0.000 1.071 137 L CA 2.523 57.301 54.840 -0.103 0.000 0.749 137 L CB -1.726 40.262 42.059 -0.119 0.000 0.890 137 L HN -0.073 nan 8.230 nan 0.000 0.431 138 A N -0.792 121.981 122.820 -0.078 0.000 2.024 138 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 138 A C 2.104 179.433 177.584 -0.425 0.000 1.164 138 A CA 1.786 53.753 52.037 -0.117 0.000 0.643 138 A CB -0.770 18.251 19.000 0.036 0.000 0.806 138 A HN 0.704 nan 8.150 nan 0.000 0.451 139 E N -0.194 119.751 120.200 -0.425 0.000 2.118 139 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 139 E C 1.971 178.426 176.600 -0.241 0.000 0.992 139 E CA 1.463 57.622 56.400 -0.401 0.000 0.804 139 E CB -0.130 29.464 29.700 -0.176 0.000 0.741 139 E HN 0.604 nan 8.360 nan 0.000 0.458 140 K N 0.271 120.568 120.400 -0.171 0.000 2.103 140 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 140 K C 2.163 178.715 176.600 -0.079 0.000 1.052 140 K CA 0.829 57.054 56.287 -0.103 0.000 0.945 140 K CB 0.069 32.510 32.500 -0.098 0.000 0.722 140 K HN -0.004 nan 8.250 nan 0.000 0.443 141 V N 1.066 120.896 119.914 -0.141 0.000 2.295 141 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 141 V C 2.309 178.383 176.094 -0.033 0.000 1.049 141 V CA 1.423 63.675 62.300 -0.080 0.000 1.024 141 V CB -0.380 31.393 31.823 -0.083 0.000 0.648 141 V HN 0.054 nan 8.190 nan 0.000 0.447 142 V N 0.553 120.364 119.914 -0.172 0.000 2.220 142 V HA -0.387 3.732 4.120 -0.001 0.000 0.250 142 V C 2.778 178.844 176.094 -0.047 0.000 1.056 142 V CA 2.587 64.778 62.300 -0.181 0.000 1.016 142 V CB -1.388 30.168 31.823 -0.446 0.000 0.639 142 V HN 0.585 nan 8.190 nan 0.000 0.446 143 A N -1.497 121.291 122.820 -0.054 0.000 1.958 143 A HA -0.334 3.985 4.320 -0.001 0.000 0.221 143 A C 2.130 179.745 177.584 0.051 0.000 1.178 143 A CA 2.556 54.593 52.037 0.001 0.000 0.642 143 A CB -0.871 18.125 19.000 -0.007 0.000 0.816 143 A HN 0.734 nan 8.150 nan 0.000 0.453 144 Y N -0.450 119.833 120.300 -0.028 0.000 2.200 144 Y HA -0.109 4.440 4.550 -0.001 0.000 0.290 144 Y C 1.947 177.882 175.900 0.059 0.000 1.137 144 Y CA 1.468 59.573 58.100 0.009 0.000 1.163 144 Y CB -0.078 38.378 38.460 -0.006 0.000 0.988 144 Y HN 0.201 nan 8.280 nan 0.000 0.518 145 L N 0.764 122.110 121.223 0.206 0.000 2.201 145 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 145 L C 2.052 179.049 176.870 0.211 0.000 1.105 145 L CA 1.574 56.561 54.840 0.245 0.000 0.775 145 L CB -1.128 41.047 42.059 0.194 0.000 0.913 145 L HN 0.379 nan 8.230 nan 0.000 0.440 146 E N -0.712 119.545 120.200 0.094 0.000 2.152 146 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 146 E C 2.070 178.655 176.600 -0.025 0.000 0.983 146 E CA 0.978 57.409 56.400 0.051 0.000 0.818 146 E CB -0.016 29.705 29.700 0.035 0.000 0.758 146 E HN 0.448 nan 8.360 nan 0.000 0.467 147 A N 1.187 123.958 122.820 -0.083 0.000 2.167 147 A HA -0.080 4.239 4.320 -0.001 0.000 0.214 147 A C 1.651 179.137 177.584 -0.163 0.000 1.151 147 A CA 0.606 52.561 52.037 -0.136 0.000 0.735 147 A CB 0.066 18.956 19.000 -0.183 0.000 0.802 147 A HN -0.006 nan 8.150 nan 0.000 0.467 148 E N -1.020 119.091 120.200 -0.150 0.000 2.502 148 E HA 0.147 4.497 4.350 -0.001 0.000 0.194 148 E C 1.349 177.757 176.600 -0.320 0.000 1.062 148 E CA 0.721 57.045 56.400 -0.126 0.000 0.867 148 E CB 0.068 29.812 29.700 0.073 0.000 0.888 148 E HN 0.741 nan 8.360 nan 0.000 0.510 149 G N 0.636 109.271 108.800 -0.274 0.000 2.213 149 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.226 149 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.226 149 G C 0.216 174.903 174.900 -0.354 0.000 0.992 149 G CA -0.141 44.757 45.100 -0.338 0.000 0.632 149 G HN 0.200 nan 8.290 nan 0.000 0.511 150 F N 1.709 121.656 119.950 -0.005 0.000 2.440 150 F HA 0.553 5.080 4.527 -0.001 0.000 0.323 150 F C 1.095 176.899 175.800 0.008 0.000 1.192 150 F CA 0.447 58.449 58.000 0.004 0.000 1.252 150 F CB 0.820 39.825 39.000 0.009 0.000 1.214 150 F HN -0.087 nan 8.300 nan 0.000 0.578 151 T N 3.703 118.392 114.554 0.226 0.000 2.772 151 T HA 0.408 4.757 4.350 -0.001 0.000 0.288 151 T C -0.337 174.444 174.700 0.135 0.000 0.994 151 T CA -0.437 61.744 62.100 0.134 0.000 0.951 151 T CB 0.456 69.380 68.868 0.093 0.000 0.933 151 T HN 0.160 nan 8.240 nan 0.000 0.447 152 I N 3.438 124.085 120.570 0.127 0.000 2.291 152 I HA 0.230 4.399 4.170 -0.001 0.000 0.290 152 I C 1.338 177.544 176.117 0.148 0.000 1.050 152 I CA -0.027 61.352 61.300 0.133 0.000 1.245 152 I CB 0.697 38.777 38.000 0.133 0.000 1.405 152 I HN 0.600 nan 8.210 nan 0.000 0.478 153 S N 3.602 119.367 115.700 0.109 0.000 2.414 153 S HA -0.015 4.454 4.470 -0.001 0.000 0.227 153 S C 0.513 175.154 174.600 0.068 0.000 1.022 153 S CA 0.782 59.027 58.200 0.074 0.000 0.958 153 S CB 0.097 63.318 63.200 0.036 0.000 0.797 153 S HN 0.728 nan 8.310 nan 0.000 0.493 154 D N -1.171 119.285 120.400 0.094 0.000 2.663 154 D HA 0.377 5.017 4.640 -0.001 0.000 0.233 154 D C -1.915 174.473 176.300 0.148 0.000 1.240 154 D CA -0.583 53.429 54.000 0.021 0.000 0.774 154 D CB 1.421 42.186 40.800 -0.058 0.000 1.443 154 D HN 0.205 nan 8.370 nan 0.000 0.441 155 W N 1.885 123.171 121.300 -0.022 0.000 3.479 155 W HA 0.597 5.256 4.660 -0.001 0.000 0.304 155 W C -1.283 175.224 176.519 -0.019 0.000 1.243 155 W CA -0.769 56.564 57.345 -0.020 0.000 1.202 155 W CB 0.632 30.093 29.460 0.002 0.000 1.346 155 W HN 0.171 nan 8.180 nan 0.000 0.539 156 R N 1.874 122.477 120.500 0.171 0.000 2.664 156 R HA 0.781 5.121 4.340 -0.001 0.000 0.286 156 R C -0.801 175.689 176.300 0.316 0.000 0.967 156 R CA -0.856 55.296 56.100 0.087 0.000 0.933 156 R CB 2.165 32.462 30.300 -0.005 0.000 1.146 156 R HN 0.618 nan 8.270 nan 0.000 0.468 157 A N 2.883 125.882 122.820 0.298 0.000 2.353 157 A HA 0.388 4.707 4.320 -0.001 0.000 0.299 157 A C 0.705 178.366 177.584 0.129 0.000 1.089 157 A CA -0.622 51.576 52.037 0.268 0.000 0.736 157 A CB 0.739 20.016 19.000 0.461 0.000 1.195 157 A HN 0.727 nan 8.150 nan 0.000 0.447 158 L N 1.500 122.757 121.223 0.056 0.000 2.478 158 L HA 0.062 4.401 4.340 -0.001 0.000 0.223 158 L C 0.157 177.051 176.870 0.040 0.000 1.140 158 L CA 0.262 55.119 54.840 0.028 0.000 0.842 158 L CB -0.425 41.630 42.059 -0.006 0.000 0.953 158 L HN 0.811 nan 8.230 nan 0.000 0.452 159 E N 0.096 120.336 120.200 0.068 0.000 2.246 159 E HA -0.167 4.182 4.350 -0.001 0.000 0.211 159 E C -0.727 175.904 176.600 0.051 0.000 1.278 159 E CA 0.165 56.608 56.400 0.072 0.000 0.694 159 E CB -1.802 27.937 29.700 0.065 0.000 1.166 159 E HN 0.202 nan 8.360 nan 0.000 0.370 160 V N 0.318 120.260 119.914 0.045 0.000 2.266 160 V HA 0.366 4.486 4.120 -0.001 0.000 0.271 160 V C 1.251 177.378 176.094 0.054 0.000 1.032 160 V CA 0.380 62.701 62.300 0.035 0.000 0.806 160 V CB 1.195 33.024 31.823 0.010 0.000 1.052 160 V HN 0.492 nan 8.190 nan 0.000 0.449 161 A N 2.474 125.329 122.820 0.058 0.000 1.929 161 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 161 A C 1.214 178.835 177.584 0.061 0.000 1.176 161 A CA 0.935 53.011 52.037 0.065 0.000 0.628 161 A CB -0.095 18.937 19.000 0.054 0.000 0.816 161 A HN 0.719 nan 8.150 nan 0.000 0.444 162 D N -0.382 120.050 120.400 0.053 0.000 2.343 162 D HA 0.029 4.668 4.640 -0.001 0.000 0.255 162 D C 0.560 176.891 176.300 0.051 0.000 1.187 162 D CA -0.135 53.899 54.000 0.057 0.000 0.875 162 D CB 0.612 41.441 40.800 0.049 0.000 1.136 162 D HN 0.146 nan 8.370 nan 0.000 0.469 163 N N 2.459 121.194 118.700 0.057 0.000 2.149 163 N HA -0.157 4.582 4.740 -0.001 0.000 0.188 163 N C 1.427 176.956 175.510 0.033 0.000 1.019 163 N CA 1.546 54.623 53.050 0.045 0.000 0.857 163 N CB 0.099 38.610 38.487 0.040 0.000 0.997 163 N HN 0.377 nan 8.380 nan 0.000 0.426 164 T N 0.504 115.080 114.554 0.036 0.000 2.684 164 T HA -0.107 4.243 4.350 -0.001 0.000 0.267 164 T C 1.414 176.122 174.700 0.013 0.000 1.036 164 T CA 1.315 63.428 62.100 0.022 0.000 1.148 164 T CB -0.270 68.612 68.868 0.024 0.000 0.863 164 T HN 0.418 nan 8.240 nan 0.000 0.436 165 E N 0.466 120.676 120.200 0.016 0.000 2.268 165 E HA -0.052 4.298 4.350 -0.001 0.000 0.195 165 E C 2.271 178.872 176.600 0.002 0.000 0.995 165 E CA 0.463 56.868 56.400 0.009 0.000 0.836 165 E CB -0.183 29.524 29.700 0.012 0.000 0.763 165 E HN 0.248 nan 8.360 nan 0.000 0.491 166 V N 0.945 120.862 119.914 0.004 0.000 2.407 166 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 166 V C 2.276 178.358 176.094 -0.020 0.000 1.055 166 V CA 2.032 64.326 62.300 -0.011 0.000 1.049 166 V CB -0.688 31.130 31.823 -0.007 0.000 0.662 166 V HN 0.411 nan 8.190 nan 0.000 0.455 167 G N -2.059 106.733 108.800 -0.013 0.000 2.679 167 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.212 167 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.212 167 G C 1.081 175.969 174.900 -0.019 0.000 1.137 167 G CA 0.967 46.057 45.100 -0.018 0.000 0.787 167 G HN 0.592 nan 8.290 nan 0.000 0.534 168 C N 0.791 120.083 119.300 -0.015 0.000 2.881 168 C HA 0.462 4.921 4.460 -0.001 0.000 0.290 168 C C 0.815 175.796 174.990 -0.015 0.000 1.362 168 C CA -1.309 57.701 59.018 -0.014 0.000 1.757 168 C CB -1.274 26.461 27.740 -0.009 0.000 2.265 168 C HN 0.286 nan 8.230 nan 0.000 0.600 169 I N 3.920 124.479 120.570 -0.019 0.000 2.517 169 I HA 0.145 4.314 4.170 -0.001 0.000 0.285 169 I C -1.964 174.141 176.117 -0.020 0.000 1.106 169 I CA -1.096 60.192 61.300 -0.021 0.000 1.402 169 I CB 0.757 38.739 38.000 -0.030 0.000 1.399 169 I HN 0.034 nan 8.210 nan 0.000 0.535 170 P HA 0.074 nan 4.420 nan 0.000 0.271 170 P C 0.904 178.197 177.300 -0.013 0.000 1.216 170 P CA -0.223 62.869 63.100 -0.014 0.000 0.776 170 P CB 0.834 32.527 31.700 -0.011 0.000 0.881 171 G N 2.636 111.428 108.800 -0.013 0.000 2.462 171 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.220 171 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.220 171 G C 1.092 175.990 174.900 -0.005 0.000 1.121 171 G CA 0.365 45.459 45.100 -0.010 0.000 0.758 171 G HN 0.605 nan 8.290 nan 0.000 0.559 172 E N 0.523 120.719 120.200 -0.006 0.000 2.152 172 E HA -0.153 4.197 4.350 -0.001 0.000 0.192 172 E C 2.133 178.734 176.600 0.002 0.000 0.983 172 E CA 0.892 57.290 56.400 -0.002 0.000 0.818 172 E CB -0.556 29.141 29.700 -0.005 0.000 0.758 172 E HN 0.603 nan 8.360 nan 0.000 0.467 173 Q N 0.824 120.623 119.800 -0.002 0.000 2.172 173 Q HA -0.051 4.288 4.340 -0.001 0.000 0.200 173 Q C 2.242 178.242 176.000 -0.001 0.000 0.964 173 Q CA 0.936 56.738 55.803 -0.003 0.000 0.855 173 Q CB 0.273 29.006 28.738 -0.008 0.000 0.918 173 Q HN 0.155 nan 8.270 nan 0.000 0.444 174 V N 0.530 120.444 119.914 -0.001 0.000 2.379 174 V HA -0.252 3.867 4.120 -0.001 0.000 0.245 174 V C 2.323 178.433 176.094 0.027 0.000 1.044 174 V CA 1.193 63.495 62.300 0.003 0.000 1.036 174 V CB -0.347 31.474 31.823 -0.004 0.000 0.664 174 V HN 0.441 nan 8.190 nan 0.000 0.453 175 M N -0.072 119.549 119.600 0.036 0.000 2.117 175 M HA -0.108 4.371 4.480 -0.001 0.000 0.262 175 M C 2.466 178.806 176.300 0.066 0.000 1.065 175 M CA 2.123 57.464 55.300 0.068 0.000 1.114 175 M CB -1.550 31.078 32.600 0.046 0.000 1.361 175 M HN 0.392 nan 8.290 nan 0.000 0.408 176 A N 0.449 123.290 122.820 0.034 0.000 1.892 176 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 176 A C 2.459 180.053 177.584 0.018 0.000 1.188 176 A CA 2.601 54.653 52.037 0.024 0.000 0.631 176 A CB -1.059 17.947 19.000 0.009 0.000 0.822 176 A HN 0.494 nan 8.150 nan 0.000 0.447 177 A N -0.277 122.548 122.820 0.009 0.000 1.865 177 A HA 0.121 4.440 4.320 -0.001 0.000 0.217 177 A C 2.552 180.127 177.584 -0.015 0.000 1.191 177 A CA 2.404 54.436 52.037 -0.008 0.000 0.623 177 A CB -1.167 17.828 19.000 -0.008 0.000 0.826 177 A HN 1.199 nan 8.150 nan 0.000 0.444 178 A N -0.324 122.504 122.820 0.014 0.000 1.933 178 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 178 A C 2.198 179.750 177.584 -0.054 0.000 1.175 178 A CA 1.546 53.576 52.037 -0.012 0.000 0.628 178 A CB -0.435 18.635 19.000 0.117 0.000 0.814 178 A HN 0.571 nan 8.150 nan 0.000 0.444 179 R N 0.114 120.673 120.500 0.097 0.000 2.236 179 R HA -0.034 4.305 4.340 -0.001 0.000 0.208 179 R C 2.117 178.421 176.300 0.008 0.000 1.036 179 R CA 1.185 57.357 56.100 0.120 0.000 1.001 179 R CB -0.175 30.225 30.300 0.167 0.000 0.896 179 R HN 0.683 nan 8.270 nan 0.000 0.464 180 S N 0.131 115.815 115.700 -0.028 0.000 2.524 180 S HA 0.109 4.578 4.470 -0.001 0.000 0.216 180 S C 0.866 175.414 174.600 -0.086 0.000 0.987 180 S CA -0.282 57.889 58.200 -0.049 0.000 0.909 180 S CB -0.030 63.141 63.200 -0.047 0.000 0.781 180 S HN 0.085 nan 8.310 nan 0.000 0.521 181 L N 2.784 123.935 121.223 -0.119 0.000 2.514 181 L HA 0.140 4.479 4.340 -0.001 0.000 0.280 181 L C 0.408 177.197 176.870 -0.135 0.000 1.223 181 L CA -0.068 54.686 54.840 -0.144 0.000 0.864 181 L CB 0.158 42.102 42.059 -0.192 0.000 1.118 181 L HN 0.224 nan 8.230 nan 0.000 0.494 182 D N 4.143 124.477 120.400 -0.110 0.000 2.359 182 D HA 0.108 4.747 4.640 -0.001 0.000 0.250 182 D C 0.445 176.689 176.300 -0.094 0.000 1.264 182 D CA 0.104 54.052 54.000 -0.086 0.000 0.911 182 D CB 0.743 41.504 40.800 -0.066 0.000 1.056 182 D HN 0.356 nan 8.370 nan 0.000 0.499 183 L N 2.331 123.488 121.223 -0.110 0.000 2.685 183 L HA 0.136 4.475 4.340 -0.001 0.000 0.233 183 L C 0.781 177.617 176.870 -0.056 0.000 1.173 183 L CA -0.203 54.569 54.840 -0.114 0.000 0.961 183 L CB 0.051 41.995 42.059 -0.192 0.000 1.217 183 L HN 0.158 nan 8.230 nan 0.000 0.478 184 S N 0.944 116.622 115.700 -0.037 0.000 2.488 184 S HA 0.115 4.585 4.470 -0.001 0.000 0.278 184 S C 0.751 175.345 174.600 -0.010 0.000 1.259 184 S CA -0.118 58.072 58.200 -0.017 0.000 1.061 184 S CB 0.329 63.522 63.200 -0.012 0.000 0.910 184 S HN 0.496 nan 8.310 nan 0.000 0.491 185 E N -0.463 119.735 120.200 -0.002 0.000 4.129 185 E HA -0.161 4.188 4.350 -0.001 0.000 0.354 185 E C -0.353 176.251 176.600 0.007 0.000 0.673 185 E CA 0.402 56.805 56.400 0.005 0.000 1.347 185 E CB -1.489 28.216 29.700 0.008 0.000 1.722 185 E HN 0.426 nan 8.360 nan 0.000 0.410 186 V N 2.292 122.203 119.914 -0.004 0.000 2.637 186 V HA -0.032 4.088 4.120 -0.001 0.000 0.296 186 V C 1.279 177.372 176.094 -0.001 0.000 1.046 186 V CA 0.892 63.188 62.300 -0.007 0.000 1.066 186 V CB 1.141 32.943 31.823 -0.034 0.000 0.968 186 V HN 0.155 nan 8.190 nan 0.000 0.483 187 D N 2.867 123.272 120.400 0.009 0.000 2.346 187 D HA 0.332 4.971 4.640 -0.001 0.000 0.206 187 D C 0.467 176.767 176.300 -0.000 0.000 1.001 187 D CA 1.019 55.026 54.000 0.013 0.000 0.871 187 D CB 0.924 41.742 40.800 0.030 0.000 0.943 187 D HN 0.683 nan 8.370 nan 0.000 0.518 188 A N 0.310 123.120 122.820 -0.018 0.000 2.583 188 A HA 0.460 4.780 4.320 -0.001 0.000 0.298 188 A C -1.814 175.738 177.584 -0.053 0.000 1.055 188 A CA -0.624 51.392 52.037 -0.035 0.000 0.714 188 A CB 0.933 19.899 19.000 -0.055 0.000 1.277 188 A HN 0.079 nan 8.150 nan 0.000 0.406 189 L N 2.937 124.132 121.223 -0.048 0.000 2.313 189 L HA 0.647 4.987 4.340 -0.001 0.000 0.283 189 L C -1.038 175.803 176.870 -0.049 0.000 1.013 189 L CA -0.843 53.961 54.840 -0.061 0.000 0.816 189 L CB 1.612 43.631 42.059 -0.066 0.000 1.236 189 L HN 0.535 nan 8.230 nan 0.000 0.419 190 V N 6.669 126.549 119.914 -0.057 0.000 2.339 190 V HA 0.046 4.165 4.120 -0.001 0.000 0.261 190 V C 1.109 177.184 176.094 -0.032 0.000 1.058 190 V CA -0.216 62.052 62.300 -0.053 0.000 0.897 190 V CB 1.023 32.806 31.823 -0.068 0.000 1.052 190 V HN 0.755 nan 8.190 nan 0.000 0.480 191 I N 4.128 124.687 120.570 -0.017 0.000 2.315 191 I HA -0.044 4.125 4.170 -0.001 0.000 0.248 191 I C 1.258 177.363 176.117 -0.020 0.000 1.117 191 I CA 1.484 62.784 61.300 -0.001 0.000 1.404 191 I CB 0.355 38.371 38.000 0.028 0.000 1.071 191 I HN 0.585 nan 8.210 nan 0.000 0.419 192 S N -0.906 114.774 115.700 -0.033 0.000 2.789 192 S HA 0.211 4.681 4.470 -0.001 0.000 0.286 192 S C -0.147 174.418 174.600 -0.057 0.000 1.153 192 S CA -0.772 57.393 58.200 -0.058 0.000 1.084 192 S CB 0.617 63.783 63.200 -0.057 0.000 1.036 192 S HN 0.262 nan 8.310 nan 0.000 0.484 193 C N 6.052 125.309 119.300 -0.071 0.000 2.293 193 C HA 0.649 5.108 4.460 -0.001 0.000 0.380 193 C C 0.437 175.432 174.990 0.009 0.000 1.343 193 C CA -0.283 58.720 59.018 -0.024 0.000 1.754 193 C CB -2.813 24.935 27.740 0.013 0.000 2.265 193 C HN 0.804 nan 8.230 nan 0.000 0.579 194 C N 0.129 119.407 119.300 -0.036 0.000 2.985 194 C HA 0.498 4.957 4.460 -0.001 0.000 0.332 194 C C 1.193 176.187 174.990 0.007 0.000 1.164 194 C CA -0.417 58.605 59.018 0.007 0.000 1.347 194 C CB 0.784 28.378 27.740 -0.244 0.000 1.764 194 C HN 0.526 nan 8.230 nan 0.000 0.489 195 V N 2.255 122.195 119.914 0.043 0.000 3.380 195 V HA 0.064 4.183 4.120 -0.001 0.000 0.268 195 V C 1.434 177.524 176.094 -0.007 0.000 1.168 195 V CA 2.100 64.406 62.300 0.012 0.000 1.156 195 V CB -0.806 31.024 31.823 0.011 0.000 0.785 195 V HN 0.942 nan 8.190 nan 0.000 0.487 196 Q N -0.185 119.610 119.800 -0.007 0.000 2.477 196 Q HA 0.346 4.686 4.340 -0.001 0.000 0.252 196 Q C 1.093 177.072 176.000 -0.035 0.000 0.869 196 Q CA 0.126 55.919 55.803 -0.017 0.000 0.969 196 Q CB 0.127 28.867 28.738 0.002 0.000 1.144 196 Q HN 0.610 nan 8.270 nan 0.000 0.577 197 M N 3.286 122.851 119.600 -0.058 0.000 2.284 197 M HA 0.137 4.616 4.480 -0.001 0.000 0.351 197 M C -2.133 174.135 176.300 -0.052 0.000 1.443 197 M CA -1.542 53.717 55.300 -0.068 0.000 1.031 197 M CB 0.628 33.163 32.600 -0.108 0.000 1.893 197 M HN 0.000 nan 8.290 nan 0.000 0.456 198 P HA 0.179 nan 4.420 nan 0.000 0.277 198 P C -0.772 176.507 177.300 -0.034 0.000 1.240 198 P CA -0.226 62.852 63.100 -0.037 0.000 0.798 198 P CB 1.083 32.763 31.700 -0.033 0.000 0.979 199 S N 0.070 115.751 115.700 -0.030 0.000 2.506 199 S HA 0.044 4.513 4.470 -0.001 0.000 0.255 199 S C 1.296 175.884 174.600 -0.020 0.000 0.976 199 S CA -0.342 57.845 58.200 -0.022 0.000 1.493 199 S CB -0.983 62.205 63.200 -0.021 0.000 1.241 199 S HN 0.217 nan 8.310 nan 0.000 0.655 200 L N 2.004 123.212 121.223 -0.026 0.000 1.978 200 L HA -0.020 4.319 4.340 -0.001 0.000 0.218 200 L C -1.017 175.840 176.870 -0.020 0.000 1.075 200 L CA 2.379 57.204 54.840 -0.024 0.000 0.767 200 L CB -1.191 40.848 42.059 -0.032 0.000 0.890 200 L HN 0.292 nan 8.230 nan 0.000 0.434 201 P HA -0.147 nan 4.420 nan 0.000 0.226 201 P C 1.406 178.694 177.300 -0.020 0.000 1.146 201 P CA 1.241 64.329 63.100 -0.021 0.000 0.773 201 P CB 0.066 31.753 31.700 -0.021 0.000 0.772 202 L N -2.972 118.242 121.223 -0.015 0.000 2.515 202 L HA 0.042 4.381 4.340 -0.001 0.000 0.223 202 L C 2.153 179.020 176.870 -0.005 0.000 1.079 202 L CA 0.193 55.026 54.840 -0.011 0.000 0.857 202 L CB -0.664 41.397 42.059 0.002 0.000 1.050 202 L HN -0.192 nan 8.230 nan 0.000 0.476 203 V N 0.800 120.713 119.914 -0.002 0.000 2.220 203 V HA -0.305 3.814 4.120 -0.001 0.000 0.246 203 V C 2.592 178.686 176.094 0.001 0.000 1.049 203 V CA 2.376 64.680 62.300 0.006 0.000 1.003 203 V CB -0.336 31.488 31.823 0.001 0.000 0.634 203 V HN 0.433 nan 8.190 nan 0.000 0.444 204 E N 0.585 120.779 120.200 -0.009 0.000 2.058 204 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 204 E C 2.292 178.871 176.600 -0.036 0.000 0.997 204 E CA 2.350 58.740 56.400 -0.017 0.000 0.801 204 E CB -0.630 29.061 29.700 -0.015 0.000 0.746 204 E HN 0.756 nan 8.360 nan 0.000 0.450 205 T N -1.464 113.062 114.554 -0.046 0.000 2.684 205 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 205 T C 1.984 176.605 174.700 -0.132 0.000 1.036 205 T CA 2.170 64.223 62.100 -0.079 0.000 1.148 205 T CB -0.736 68.087 68.868 -0.075 0.000 0.863 205 T HN 0.223 nan 8.240 nan 0.000 0.436 206 A N 1.584 124.339 122.820 -0.108 0.000 1.908 206 A HA -0.109 4.210 4.320 -0.001 0.000 0.218 206 A C 2.353 179.856 177.584 -0.136 0.000 1.181 206 A CA 2.083 54.019 52.037 -0.170 0.000 0.627 206 A CB -1.016 18.036 19.000 0.086 0.000 0.818 206 A HN 0.817 nan 8.150 nan 0.000 0.445 207 E N -0.223 119.971 120.200 -0.010 0.000 2.077 207 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 207 E C 2.180 178.769 176.600 -0.019 0.000 0.989 207 E CA 1.205 57.625 56.400 0.034 0.000 0.800 207 E CB -0.141 29.575 29.700 0.027 0.000 0.746 207 E HN 0.612 nan 8.360 nan 0.000 0.452 208 R N 0.255 120.716 120.500 -0.066 0.000 2.115 208 R HA -0.126 4.214 4.340 -0.001 0.000 0.230 208 R C 2.432 178.656 176.300 -0.125 0.000 1.111 208 R CA 1.440 57.496 56.100 -0.074 0.000 0.976 208 R CB -0.178 30.081 30.300 -0.070 0.000 0.870 208 R HN 0.348 nan 8.270 nan 0.000 0.445 209 E N 0.331 120.376 120.200 -0.258 0.000 2.046 209 E HA -0.130 4.219 4.350 -0.001 0.000 0.190 209 E C 1.157 177.558 176.600 -0.331 0.000 0.982 209 E CA 1.031 57.190 56.400 -0.400 0.000 0.800 209 E CB 0.047 29.316 29.700 -0.718 0.000 0.756 209 E HN 0.329 nan 8.360 nan 0.000 0.449 210 F N -0.548 119.396 119.950 -0.010 0.000 2.754 210 F HA 0.271 4.798 4.527 -0.001 0.000 0.297 210 F C 1.574 177.370 175.800 -0.008 0.000 1.122 210 F CA 0.113 58.107 58.000 -0.010 0.000 1.400 210 F CB 0.718 39.711 39.000 -0.011 0.000 1.117 210 F HN 0.229 nan 8.300 nan 0.000 0.587 211 G N 2.273 111.146 108.800 0.122 0.000 2.187 211 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.261 211 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.261 211 G C 0.130 175.078 174.900 0.080 0.000 1.000 211 G CA 0.759 45.904 45.100 0.076 0.000 0.718 211 G HN 0.534 nan 8.290 nan 0.000 0.519 212 I N -3.930 116.708 120.570 0.112 0.000 2.934 212 I HA 0.765 4.934 4.170 -0.001 0.000 0.306 212 I C -2.686 173.471 176.117 0.067 0.000 1.110 212 I CA -3.511 57.833 61.300 0.073 0.000 1.019 212 I CB 1.964 39.998 38.000 0.057 0.000 1.227 212 I HN -0.187 nan 8.210 nan 0.000 0.434 213 P HA 0.165 nan 4.420 nan 0.000 0.265 213 P C -0.790 176.523 177.300 0.022 0.000 1.193 213 P CA 0.009 63.118 63.100 0.016 0.000 0.765 213 P CB 0.818 32.511 31.700 -0.011 0.000 0.823 214 V N 4.625 124.556 119.914 0.027 0.000 2.715 214 V HA 0.696 4.815 4.120 -0.001 0.000 0.310 214 V C 0.345 176.436 176.094 -0.004 0.000 1.054 214 V CA -0.473 61.845 62.300 0.030 0.000 0.928 214 V CB 1.501 33.372 31.823 0.079 0.000 1.007 214 V HN 0.459 nan 8.190 nan 0.000 0.437 215 L N 1.623 122.836 121.223 -0.018 0.000 2.720 215 L HA 1.000 5.339 4.340 -0.001 0.000 0.261 215 L C -0.645 176.207 176.870 -0.031 0.000 1.046 215 L CA -0.549 54.272 54.840 -0.032 0.000 0.886 215 L CB 2.173 44.194 42.059 -0.063 0.000 1.493 215 L HN 0.671 nan 8.230 nan 0.000 0.407 216 S N -0.569 115.114 115.700 -0.028 0.000 2.667 216 S HA 0.802 5.271 4.470 -0.001 0.000 0.292 216 S C 0.811 175.397 174.600 -0.025 0.000 1.126 216 S CA -0.256 57.927 58.200 -0.028 0.000 0.881 216 S CB 1.553 64.740 63.200 -0.023 0.000 1.132 216 S HN 1.324 nan 8.310 nan 0.000 0.492 217 A N 1.163 123.970 122.820 -0.022 0.000 1.927 217 A HA -0.003 4.316 4.320 -0.001 0.000 0.220 217 A C 2.306 179.889 177.584 -0.001 0.000 1.185 217 A CA 2.556 54.587 52.037 -0.010 0.000 0.639 217 A CB -1.734 17.266 19.000 -0.001 0.000 0.820 217 A HN 1.486 nan 8.150 nan 0.000 0.451 218 A N -0.752 122.064 122.820 -0.007 0.000 1.873 218 A HA -0.074 4.245 4.320 -0.001 0.000 0.215 218 A C 2.489 180.078 177.584 0.008 0.000 1.186 218 A CA 2.595 54.630 52.037 -0.004 0.000 0.616 218 A CB -1.395 17.593 19.000 -0.021 0.000 0.823 218 A HN 0.892 nan 8.150 nan 0.000 0.442 219 T N -2.337 112.220 114.554 0.006 0.000 2.867 219 T HA 0.113 4.463 4.350 -0.001 0.000 0.268 219 T C 1.872 176.606 174.700 0.057 0.000 1.057 219 T CA 1.598 63.713 62.100 0.025 0.000 1.136 219 T CB -0.471 68.404 68.868 0.012 0.000 0.874 219 T HN 0.539 nan 8.240 nan 0.000 0.466 220 A N 1.431 124.272 122.820 0.035 0.000 1.969 220 A HA 0.301 4.620 4.320 -0.001 0.000 0.218 220 A C 2.652 180.310 177.584 0.124 0.000 1.169 220 A CA 1.493 53.568 52.037 0.063 0.000 0.635 220 A CB -1.515 17.489 19.000 0.007 0.000 0.810 220 A HN 0.627 nan 8.150 nan 0.000 0.445 221 G N -0.345 108.500 108.800 0.074 0.000 2.421 221 G HA2 0.015 3.974 3.960 -0.001 0.000 0.216 221 G HA3 0.015 3.974 3.960 -0.001 0.000 0.216 221 G C 1.743 176.683 174.900 0.066 0.000 1.171 221 G CA 1.291 46.431 45.100 0.067 0.000 0.775 221 G HN 0.778 nan 8.290 nan 0.000 0.543 222 A N -0.290 122.565 122.820 0.059 0.000 2.019 222 A HA -0.009 4.310 4.320 -0.001 0.000 0.219 222 A C 2.154 179.768 177.584 0.050 0.000 1.164 222 A CA 1.682 53.734 52.037 0.025 0.000 0.644 222 A CB -0.574 18.434 19.000 0.014 0.000 0.805 222 A HN 0.518 nan 8.150 nan 0.000 0.449 223 Y N 0.550 120.850 120.300 0.001 0.000 2.133 223 Y HA -0.160 4.390 4.550 -0.001 0.000 0.287 223 Y C 2.897 178.810 175.900 0.022 0.000 1.134 223 Y CA 1.897 60.007 58.100 0.016 0.000 1.133 223 Y CB -0.574 37.897 38.460 0.018 0.000 0.987 223 Y HN 0.306 nan 8.280 nan 0.000 0.502 224 S N 0.195 115.904 115.700 0.015 0.000 2.368 224 S HA -0.178 4.291 4.470 -0.001 0.000 0.225 224 S C 2.040 176.593 174.600 -0.079 0.000 1.030 224 S CA 1.651 59.824 58.200 -0.045 0.000 0.999 224 S CB -0.718 62.526 63.200 0.073 0.000 0.844 224 S HN 0.522 nan 8.310 nan 0.000 0.459 225 I N 1.143 121.688 120.570 -0.042 0.000 2.091 225 I HA -0.200 3.969 4.170 -0.001 0.000 0.239 225 I C 2.264 178.342 176.117 -0.066 0.000 1.061 225 I CA 1.065 62.340 61.300 -0.042 0.000 1.317 225 I CB -0.629 37.341 38.000 -0.050 0.000 1.031 225 I HN 0.317 nan 8.210 nan 0.000 0.401 226 L N 0.589 121.751 121.223 -0.103 0.000 2.043 226 L HA -0.201 4.138 4.340 -0.001 0.000 0.212 226 L C 2.662 179.458 176.870 -0.122 0.000 1.075 226 L CA 1.753 56.537 54.840 -0.094 0.000 0.752 226 L CB -1.146 40.865 42.059 -0.080 0.000 0.891 226 L HN 0.210 nan 8.230 nan 0.000 0.432 227 R N -0.717 119.641 120.500 -0.237 0.000 2.075 227 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 227 R C 2.383 178.622 176.300 -0.102 0.000 1.126 227 R CA 1.453 57.420 56.100 -0.221 0.000 0.963 227 R CB -0.739 29.347 30.300 -0.356 0.000 0.858 227 R HN 0.593 nan 8.270 nan 0.000 0.435 228 S N 0.964 116.618 115.700 -0.077 0.000 2.382 228 S HA -0.075 4.394 4.470 -0.001 0.000 0.228 228 S C 1.944 176.534 174.600 -0.015 0.000 1.027 228 S CA 0.927 59.110 58.200 -0.029 0.000 0.991 228 S CB -0.380 62.812 63.200 -0.012 0.000 0.823 228 S HN 0.257 nan 8.310 nan 0.000 0.469 229 L N 1.331 122.546 121.223 -0.013 0.000 2.612 229 L HA 0.189 4.528 4.340 -0.001 0.000 0.230 229 L C -0.123 176.742 176.870 -0.007 0.000 1.140 229 L CA 0.115 54.955 54.840 -0.001 0.000 0.896 229 L CB -0.652 41.424 42.059 0.028 0.000 1.065 229 L HN 0.215 nan 8.230 nan 0.000 0.447 230 D N 0.992 121.385 120.400 -0.012 0.000 2.800 230 D HA -0.168 4.471 4.640 -0.001 0.000 0.232 230 D C -0.164 176.140 176.300 0.006 0.000 1.137 230 D CA 0.810 54.807 54.000 -0.005 0.000 0.718 230 D CB -0.960 39.838 40.800 -0.002 0.000 1.084 230 D HN 0.285 nan 8.370 nan 0.000 0.432 231 L N -0.074 121.153 121.223 0.008 0.000 2.334 231 L HA 0.443 4.782 4.340 -0.001 0.000 0.276 231 L C -2.043 174.879 176.870 0.087 0.000 1.014 231 L CA -1.823 53.040 54.840 0.037 0.000 0.815 231 L CB 1.593 43.645 42.059 -0.011 0.000 1.268 231 L HN -0.330 nan 8.230 nan 0.000 0.428 232 P HA -0.031 nan 4.420 nan 0.000 0.267 232 P C -0.463 176.983 177.300 0.244 0.000 1.205 232 P CA -0.124 63.083 63.100 0.179 0.000 0.765 232 P CB 0.796 32.597 31.700 0.169 0.000 0.828 233 V N 3.162 123.163 119.914 0.144 0.000 2.352 233 V HA 0.516 4.635 4.120 -0.001 0.000 0.253 233 V C 0.120 176.301 176.094 0.144 0.000 1.083 233 V CA 0.221 62.616 62.300 0.157 0.000 0.993 233 V CB -1.126 30.791 31.823 0.156 0.000 1.111 233 V HN 0.672 nan 8.190 nan 0.000 0.490 234 A N 6.044 128.944 122.820 0.134 0.000 3.455 234 A HA 0.561 4.880 4.320 -0.001 0.000 0.225 234 A C -0.821 176.738 177.584 -0.042 0.000 1.052 234 A CA -0.257 51.785 52.037 0.009 0.000 1.005 234 A CB 0.548 19.500 19.000 -0.079 0.000 1.318 234 A HN 0.797 nan 8.150 nan 0.000 0.639 235 V N 2.658 122.600 119.914 0.048 0.000 2.357 235 V HA 0.442 4.561 4.120 -0.001 0.000 0.284 235 V C -2.160 173.951 176.094 0.029 0.000 1.018 235 V CA -1.743 60.588 62.300 0.051 0.000 0.841 235 V CB 1.522 33.399 31.823 0.091 0.000 0.991 235 V HN 0.603 nan 8.190 nan 0.000 0.437 236 P HA 0.180 nan 4.420 nan 0.000 0.269 236 P C 0.762 178.069 177.300 0.010 0.000 1.209 236 P CA 0.785 63.890 63.100 0.007 0.000 0.776 236 P CB 0.919 32.620 31.700 0.001 0.000 0.876 237 G N 1.559 110.362 108.800 0.005 0.000 2.246 237 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.273 237 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.273 237 G C 0.379 175.280 174.900 0.001 0.000 1.055 237 G CA 0.069 45.169 45.100 0.001 0.000 0.851 237 G HN 0.888 nan 8.290 nan 0.000 0.500 238 A N -0.665 122.159 122.820 0.007 0.000 3.165 238 A HA 0.821 5.140 4.320 -0.001 0.000 0.212 238 A C 1.225 178.814 177.584 0.008 0.000 0.935 238 A CA 1.244 53.284 52.037 0.006 0.000 1.100 238 A CB 0.053 19.059 19.000 0.010 0.000 1.260 238 A HN 2.515 nan 8.150 nan 0.000 0.532 239 G N 0.506 109.309 108.800 0.005 0.000 2.721 239 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.686 239 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.686 239 G C 0.342 175.246 174.900 0.007 0.000 1.236 239 G CA 0.064 45.166 45.100 0.004 0.000 0.786 239 G HN 1.585 nan 8.290 nan 0.000 0.616 240 R N 1.496 121.998 120.500 0.003 0.000 2.285 240 R HA 0.089 4.428 4.340 -0.001 0.000 0.213 240 R C 2.291 178.594 176.300 0.005 0.000 1.068 240 R CA 1.307 57.412 56.100 0.008 0.000 1.004 240 R CB -0.077 30.227 30.300 0.007 0.000 0.873 240 R HN 0.662 nan 8.270 nan 0.000 0.467 241 L N 0.937 122.147 121.223 -0.023 0.000 2.079 241 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 241 L C 1.644 178.527 176.870 0.021 0.000 1.081 241 L CA 1.847 56.645 54.840 -0.071 0.000 0.752 241 L CB -0.414 41.562 42.059 -0.138 0.000 0.896 241 L HN 0.454 nan 8.230 nan 0.000 0.433 242 L N -0.124 121.136 121.223 0.061 0.000 2.509 242 L HA -0.018 4.321 4.340 -0.001 0.000 0.222 242 L C 1.987 178.924 176.870 0.112 0.000 1.123 242 L CA 0.263 55.178 54.840 0.124 0.000 0.856 242 L CB -0.065 42.049 42.059 0.092 0.000 0.985 242 L HN 0.369 nan 8.230 nan 0.000 0.456 243 R N -0.391 120.153 120.500 0.073 0.000 2.546 243 R HA 0.046 4.386 4.340 -0.001 0.000 0.320 243 R C 1.187 177.522 176.300 0.059 0.000 1.021 243 R CA -0.135 55.998 56.100 0.055 0.000 1.088 243 R CB -0.215 30.102 30.300 0.029 0.000 1.278 243 R HN 0.328 nan 8.270 nan 0.000 0.557 244 Q N 0.763 120.615 119.800 0.085 0.000 2.547 244 Q HA 0.003 4.342 4.340 -0.001 0.000 0.217 244 Q C -0.823 175.225 176.000 0.080 0.000 0.978 244 Q CA 0.651 56.502 55.803 0.080 0.000 0.962 244 Q CB 0.094 28.887 28.738 0.092 0.000 0.990 244 Q HN 0.210 nan 8.270 nan 0.000 0.538 245 D N 0.000 120.443 120.400 0.071 0.000 6.856 245 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 245 D CA 0.000 54.033 54.000 0.056 0.000 0.868 245 D CB 0.000 40.839 40.800 0.065 0.000 0.688 245 D HN 0.000 nan 8.370 nan 0.000 0.683