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 2dgl_1_F DATA FIRST_RESID 3 DATA SEQUENCE KKQVTDLRSE LLDSRFGAKS ISTIAESKRF PLHEMRDDVA FQIINDELYL DATA SEQUENCE DGNARQNLAT FCQTWDDENV HKLMDLSINK NWIDKEEYPQ SAAIDLRCVN DATA SEQUENCE MVADLWHAPA PKNGQAVGTN TIGSSEACML GGMAMKWRWR KRMEAAGKPT DATA SEQUENCE DKPNLVCGPV QICWHKFARY WDVELREIPM RPGQLFMDPK RMIEACDENT DATA SEQUENCE IGVVPTFGVT YTGNYEFPQP LHDALDKFQA DTGIDIDMHI DAASGGFLAP DATA SEQUENCE FVAPDIVWDF RLPRVKSISA SGHKFGLAPL GCGWVIWRDE EALPQELVFN DATA SEQUENCE VDYLGGQIGT FAINFSRPAG QVIAQYYEFL RLGREGYTKV QNASYQVAAY DATA SEQUENCE LADEIAKLGP YEFICTGRPD EGIPAVCFKL KDGEDPGYTL YDLSERLRLR DATA SEQUENCE GWQVPAFTLG GEATDIVVMR IMCRRGFEMD FAELLLEDYK ASLKYLSDHP DATA SEQUENCE K 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 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.596 176.600 -0.006 0.000 0.988 3 K CA 0.000 56.284 56.287 -0.006 0.000 0.838 3 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 4 K N 1.232 121.627 120.400 -0.007 0.000 2.283 4 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 4 K C 1.412 178.005 176.600 -0.011 0.000 1.048 4 K CA 1.243 57.525 56.287 -0.008 0.000 0.948 4 K CB 0.203 32.699 32.500 -0.007 0.000 0.742 4 K HN 0.129 nan 8.250 nan 0.000 0.458 5 Q N 0.451 120.243 119.800 -0.013 0.000 2.181 5 Q HA -0.112 4.228 4.340 -0.000 0.000 0.205 5 Q C 2.128 178.119 176.000 -0.015 0.000 0.980 5 Q CA 1.214 57.007 55.803 -0.017 0.000 0.862 5 Q CB -0.095 28.632 28.738 -0.018 0.000 0.905 5 Q HN 0.236 nan 8.270 nan 0.000 0.429 6 V N 0.544 120.451 119.914 -0.012 0.000 2.374 6 V HA -0.154 3.966 4.120 -0.000 0.000 0.241 6 V C 2.458 178.547 176.094 -0.009 0.000 1.034 6 V CA 1.925 64.219 62.300 -0.010 0.000 1.037 6 V CB -1.105 30.713 31.823 -0.008 0.000 0.682 6 V HN 0.458 nan 8.190 nan 0.000 0.463 7 T N -1.565 112.985 114.554 -0.007 0.000 2.778 7 T HA -0.259 4.091 4.350 -0.000 0.000 0.269 7 T C 1.433 176.129 174.700 -0.006 0.000 1.050 7 T CA 1.887 63.984 62.100 -0.005 0.000 1.137 7 T CB -0.454 68.412 68.868 -0.004 0.000 0.860 7 T HN 0.372 nan 8.240 nan 0.000 0.468 8 D N 0.628 121.023 120.400 -0.008 0.000 2.194 8 D HA 0.107 4.747 4.640 -0.000 0.000 0.204 8 D C 1.871 178.163 176.300 -0.012 0.000 0.964 8 D CA 0.310 54.304 54.000 -0.010 0.000 0.846 8 D CB -0.316 40.476 40.800 -0.013 0.000 0.962 8 D HN 0.296 nan 8.370 nan 0.000 0.490 9 L N 0.589 121.803 121.223 -0.013 0.000 2.068 9 L HA 0.031 4.371 4.340 -0.000 0.000 0.204 9 L C 2.253 179.116 176.870 -0.011 0.000 1.076 9 L CA 1.319 56.151 54.840 -0.014 0.000 0.753 9 L CB -0.275 41.775 42.059 -0.016 0.000 0.910 9 L HN -0.179 nan 8.230 nan 0.000 0.439 10 R N -0.892 119.602 120.500 -0.009 0.000 2.103 10 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 10 R C 2.161 178.458 176.300 -0.006 0.000 1.142 10 R CA 1.999 58.095 56.100 -0.007 0.000 0.960 10 R CB -0.328 29.969 30.300 -0.005 0.000 0.858 10 R HN 0.434 nan 8.270 nan 0.000 0.439 11 S N 0.647 116.343 115.700 -0.005 0.000 2.356 11 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 11 S C 1.549 176.145 174.600 -0.007 0.000 1.032 11 S CA 1.377 59.574 58.200 -0.004 0.000 1.005 11 S CB -0.182 63.017 63.200 -0.002 0.000 0.867 11 S HN 0.452 nan 8.310 nan 0.000 0.449 12 E N 0.449 120.644 120.200 -0.009 0.000 2.331 12 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 12 E C 1.903 178.495 176.600 -0.013 0.000 1.008 12 E CA 0.631 57.024 56.400 -0.012 0.000 0.843 12 E CB -0.184 29.508 29.700 -0.014 0.000 0.761 12 E HN 0.313 nan 8.360 nan 0.000 0.507 13 L N 0.214 121.430 121.223 -0.011 0.000 2.071 13 L HA -0.081 4.259 4.340 -0.000 0.000 0.201 13 L C 1.966 178.830 176.870 -0.010 0.000 1.076 13 L CA 1.392 56.225 54.840 -0.011 0.000 0.755 13 L CB -0.212 41.841 42.059 -0.009 0.000 0.915 13 L HN 0.018 nan 8.230 nan 0.000 0.445 14 L N -0.962 120.257 121.223 -0.007 0.000 2.022 14 L HA 0.007 4.347 4.340 -0.000 0.000 0.204 14 L C 0.285 177.153 176.870 -0.003 0.000 1.076 14 L CA 0.036 54.874 54.840 -0.004 0.000 0.749 14 L CB -0.980 41.079 42.059 -0.001 0.000 0.903 14 L HN 0.137 nan 8.230 nan 0.000 0.439 15 D N 1.462 121.862 120.400 -0.001 0.000 3.184 15 D HA -0.089 4.551 4.640 -0.000 0.000 0.193 15 D C 0.293 176.592 176.300 -0.001 0.000 1.050 15 D CA 0.547 54.548 54.000 0.002 0.000 0.735 15 D CB 0.237 41.036 40.800 -0.001 0.000 1.142 15 D HN 0.244 nan 8.370 nan 0.000 0.515 16 S N 1.932 117.639 115.700 0.012 0.000 2.545 16 S HA 0.229 4.699 4.470 -0.000 0.000 0.275 16 S C 1.257 175.846 174.600 -0.018 0.000 1.299 16 S CA -0.902 57.307 58.200 0.016 0.000 1.048 16 S CB 1.891 65.126 63.200 0.058 0.000 0.938 16 S HN 0.594 nan 8.310 nan 0.000 0.496 17 R N 0.904 121.352 120.500 -0.088 0.000 2.311 17 R HA -0.270 4.070 4.340 -0.000 0.000 0.255 17 R C 1.023 177.086 176.300 -0.394 0.000 1.101 17 R CA 2.646 58.578 56.100 -0.280 0.000 0.948 17 R CB -0.608 29.438 30.300 -0.424 0.000 0.943 17 R HN 0.780 nan 8.270 nan 0.000 0.448 18 F N -1.706 118.256 119.950 0.019 0.000 2.569 18 F HA 0.243 4.770 4.527 -0.000 0.000 0.295 18 F C 2.259 178.066 175.800 0.011 0.000 1.115 18 F CA 0.811 58.820 58.000 0.016 0.000 1.450 18 F CB -0.026 38.984 39.000 0.016 0.000 1.107 18 F HN 0.212 nan 8.300 nan 0.000 0.563 19 G N -0.133 108.754 108.800 0.145 0.000 2.683 19 G HA2 0.244 4.204 3.960 -0.000 0.000 0.213 19 G HA3 0.244 4.204 3.960 -0.000 0.000 0.213 19 G C 0.913 175.841 174.900 0.046 0.000 1.142 19 G CA 0.400 45.554 45.100 0.091 0.000 0.793 19 G HN 0.351 nan 8.290 nan 0.000 0.534 20 A N 0.201 123.032 122.820 0.018 0.000 2.492 20 A HA 0.317 4.637 4.320 -0.000 0.000 0.236 20 A C 1.505 179.092 177.584 0.005 0.000 1.078 20 A CA 0.626 52.661 52.037 -0.004 0.000 0.773 20 A CB 0.373 19.352 19.000 -0.035 0.000 1.023 20 A HN 0.285 nan 8.150 nan 0.000 0.504 21 K N 0.261 120.662 120.400 0.001 0.000 2.186 21 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 21 K C 1.840 178.442 176.600 0.003 0.000 1.052 21 K CA 1.261 57.551 56.287 0.006 0.000 0.965 21 K CB -0.084 32.419 32.500 0.004 0.000 0.746 21 K HN 0.672 nan 8.250 nan 0.000 0.457 22 S N 1.064 116.760 115.700 -0.007 0.000 2.419 22 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 22 S C 1.508 176.101 174.600 -0.012 0.000 1.019 22 S CA 0.906 59.101 58.200 -0.008 0.000 0.982 22 S CB -0.070 63.119 63.200 -0.017 0.000 0.789 22 S HN 0.387 nan 8.310 nan 0.000 0.490 23 I N 1.826 122.387 120.570 -0.015 0.000 3.891 23 I HA 0.067 4.237 4.170 -0.000 0.000 0.331 23 I C 1.197 177.331 176.117 0.028 0.000 1.406 23 I CA 0.017 61.312 61.300 -0.007 0.000 1.139 23 I CB -0.002 37.974 38.000 -0.041 0.000 1.056 23 I HN 0.244 nan 8.210 nan 0.000 0.399 24 S N -1.315 114.400 115.700 0.024 0.000 2.575 24 S HA 0.100 4.570 4.470 -0.000 0.000 0.215 24 S C 0.845 175.459 174.600 0.023 0.000 0.966 24 S CA 0.039 58.257 58.200 0.031 0.000 0.911 24 S CB -0.456 62.759 63.200 0.026 0.000 0.780 24 S HN 0.468 nan 8.310 nan 0.000 0.514 25 T N -0.550 114.014 114.554 0.017 0.000 2.930 25 T HA 0.711 5.061 4.350 -0.000 0.000 0.290 25 T C -0.094 174.611 174.700 0.008 0.000 1.052 25 T CA -1.024 61.083 62.100 0.012 0.000 1.017 25 T CB 0.888 69.761 68.868 0.010 0.000 1.137 25 T HN 0.166 nan 8.240 nan 0.000 0.511 26 I N 1.615 122.187 120.570 0.004 0.000 2.696 26 I HA 0.412 4.582 4.170 -0.000 0.000 0.284 26 I C 1.275 177.385 176.117 -0.011 0.000 1.129 26 I CA -0.691 60.608 61.300 -0.002 0.000 1.410 26 I CB 0.687 38.685 38.000 -0.003 0.000 1.399 26 I HN 0.948 nan 8.210 nan 0.000 0.579 27 A N 4.657 127.465 122.820 -0.020 0.000 2.483 27 A HA 0.095 4.415 4.320 -0.000 0.000 0.238 27 A C 0.087 177.649 177.584 -0.036 0.000 1.070 27 A CA -0.219 51.798 52.037 -0.033 0.000 0.770 27 A CB 0.171 19.144 19.000 -0.045 0.000 1.008 27 A HN 0.726 nan 8.150 nan 0.000 0.497 28 E N 0.626 120.799 120.200 -0.045 0.000 2.392 28 E HA 0.289 4.639 4.350 -0.000 0.000 0.264 28 E C 0.724 177.290 176.600 -0.058 0.000 1.024 28 E CA 0.900 57.271 56.400 -0.048 0.000 0.903 28 E CB 0.452 30.116 29.700 -0.059 0.000 0.963 28 E HN 0.661 nan 8.360 nan 0.000 0.432 29 S N 2.470 118.143 115.700 -0.045 0.000 2.820 29 S HA 0.266 4.736 4.470 -0.000 0.000 0.265 29 S C 0.778 175.357 174.600 -0.034 0.000 1.043 29 S CA -0.498 57.675 58.200 -0.045 0.000 1.245 29 S CB 0.257 63.435 63.200 -0.036 0.000 1.187 29 S HN 0.424 nan 8.310 nan 0.000 0.673 30 K N 0.577 120.962 120.400 -0.026 0.000 2.380 30 K HA 0.405 4.725 4.320 -0.000 0.000 0.200 30 K C 0.435 177.036 176.600 0.001 0.000 1.201 30 K CA 0.166 56.446 56.287 -0.011 0.000 0.916 30 K CB 0.627 33.123 32.500 -0.006 0.000 1.187 30 K HN 0.144 nan 8.250 nan 0.000 0.498 31 R N -0.314 120.189 120.500 0.004 0.000 2.837 31 R HA 0.276 4.615 4.340 -0.000 0.000 0.271 31 R C -1.243 175.090 176.300 0.054 0.000 0.993 31 R CA -0.902 55.223 56.100 0.042 0.000 0.931 31 R CB 1.238 31.564 30.300 0.043 0.000 1.206 31 R HN -0.129 nan 8.270 nan 0.000 0.474 32 F N 3.032 122.962 119.950 -0.033 0.000 2.578 32 F HA 0.126 4.653 4.527 -0.000 0.000 0.381 32 F C -1.567 174.202 175.800 -0.051 0.000 1.069 32 F CA -1.096 56.882 58.000 -0.037 0.000 1.231 32 F CB 0.367 39.345 39.000 -0.036 0.000 1.086 32 F HN 0.285 nan 8.300 nan 0.000 0.564 33 P HA -0.029 nan 4.420 nan 0.000 0.266 33 P C 0.564 177.902 177.300 0.064 0.000 1.193 33 P CA 0.228 63.335 63.100 0.011 0.000 0.770 33 P CB 0.621 32.281 31.700 -0.067 0.000 0.836 34 L N 0.807 121.978 121.223 -0.087 0.000 2.145 34 L HA 0.041 4.381 4.340 -0.000 0.000 0.201 34 L C 1.124 177.722 176.870 -0.453 0.000 1.075 34 L CA 0.868 55.527 54.840 -0.302 0.000 0.773 34 L CB -0.350 41.415 42.059 -0.490 0.000 0.936 34 L HN 0.477 nan 8.230 nan 0.000 0.451 35 H N 0.056 119.155 119.070 0.048 0.000 2.676 35 H HA 0.323 4.879 4.556 -0.000 0.000 0.352 35 H C -0.597 174.750 175.328 0.033 0.000 1.193 35 H CA -0.826 55.244 56.048 0.036 0.000 1.243 35 H CB 0.898 30.673 29.762 0.022 0.000 1.751 35 H HN 0.128 nan 8.280 nan 0.000 0.567 36 E N 1.298 121.598 120.200 0.167 0.000 2.314 36 E HA 0.465 4.814 4.350 -0.000 0.000 0.262 36 E C -0.051 176.592 176.600 0.072 0.000 1.093 36 E CA -0.692 55.763 56.400 0.091 0.000 0.908 36 E CB 1.686 31.428 29.700 0.070 0.000 1.091 36 E HN 0.537 nan 8.360 nan 0.000 0.425 37 M N -0.811 118.813 119.600 0.040 0.000 2.704 37 M HA 0.504 4.984 4.480 -0.000 0.000 0.284 37 M C -0.852 175.453 176.300 0.008 0.000 1.275 37 M CA -1.165 54.149 55.300 0.023 0.000 0.811 37 M CB 1.902 34.511 32.600 0.016 0.000 1.741 37 M HN 0.214 nan 8.290 nan 0.000 0.458 38 R N 1.750 122.248 120.500 -0.003 0.000 2.480 38 R HA -0.008 4.332 4.340 -0.000 0.000 0.303 38 R C 0.298 176.593 176.300 -0.008 0.000 0.985 38 R CA 0.738 56.831 56.100 -0.012 0.000 1.051 38 R CB -0.071 30.214 30.300 -0.025 0.000 0.935 38 R HN 0.827 nan 8.270 nan 0.000 0.410 39 D N 2.246 122.643 120.400 -0.006 0.000 2.149 39 D HA -0.276 4.364 4.640 -0.000 0.000 0.198 39 D C 1.164 177.477 176.300 0.022 0.000 0.990 39 D CA 1.652 55.655 54.000 0.006 0.000 0.839 39 D CB -0.021 40.773 40.800 -0.010 0.000 0.948 39 D HN 0.642 nan 8.370 nan 0.000 0.460 40 D N 1.274 121.669 120.400 -0.007 0.000 2.144 40 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 40 D C 2.166 178.476 176.300 0.017 0.000 0.984 40 D CA 0.958 54.959 54.000 0.001 0.000 0.834 40 D CB -0.576 40.199 40.800 -0.042 0.000 0.955 40 D HN 0.343 nan 8.370 nan 0.000 0.465 41 V N 1.751 121.645 119.914 -0.034 0.000 2.270 41 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 41 V C 3.033 179.105 176.094 -0.037 0.000 1.043 41 V CA 1.799 64.053 62.300 -0.076 0.000 1.014 41 V CB -1.035 30.741 31.823 -0.079 0.000 0.645 41 V HN 0.382 nan 8.190 nan 0.000 0.447 42 A N -0.126 122.692 122.820 -0.004 0.000 1.892 42 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 42 A C 2.140 179.731 177.584 0.012 0.000 1.188 42 A CA 2.456 54.492 52.037 -0.002 0.000 0.631 42 A CB -0.842 18.166 19.000 0.014 0.000 0.822 42 A HN 0.549 nan 8.150 nan 0.000 0.447 43 F N 0.370 120.274 119.950 -0.077 0.000 2.075 43 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 43 F C 2.464 178.213 175.800 -0.085 0.000 1.113 43 F CA 2.454 60.408 58.000 -0.076 0.000 1.218 43 F CB -0.580 38.379 39.000 -0.068 0.000 0.984 43 F HN 0.304 nan 8.300 nan 0.000 0.472 44 Q N 1.008 120.808 119.800 -0.001 0.000 2.077 44 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 44 Q C 2.117 177.998 176.000 -0.197 0.000 0.989 44 Q CA 2.678 58.410 55.803 -0.119 0.000 0.853 44 Q CB -0.724 27.953 28.738 -0.102 0.000 0.907 44 Q HN 0.668 nan 8.270 nan 0.000 0.418 45 I N -0.299 120.185 120.570 -0.144 0.000 2.091 45 I HA -0.330 3.840 4.170 -0.000 0.000 0.239 45 I C 2.185 178.193 176.117 -0.181 0.000 1.061 45 I CA 1.483 62.714 61.300 -0.115 0.000 1.317 45 I CB -0.413 37.538 38.000 -0.082 0.000 1.031 45 I HN 0.272 nan 8.210 nan 0.000 0.401 46 I N 0.558 120.984 120.570 -0.240 0.000 2.179 46 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 46 I C 2.354 178.239 176.117 -0.387 0.000 1.088 46 I CA 1.821 62.957 61.300 -0.272 0.000 1.357 46 I CB -0.711 37.137 38.000 -0.253 0.000 1.051 46 I HN 0.357 nan 8.210 nan 0.000 0.409 47 N N 1.345 119.680 118.700 -0.608 0.000 2.036 47 N HA -0.249 4.490 4.740 -0.000 0.000 0.195 47 N C 1.459 176.578 175.510 -0.651 0.000 1.037 47 N CA 2.121 54.756 53.050 -0.691 0.000 0.855 47 N CB -0.074 37.897 38.487 -0.860 0.000 1.033 47 N HN 0.211 nan 8.380 nan 0.000 0.423 48 D N 0.197 120.320 120.400 -0.462 0.000 2.117 48 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 48 D C 1.703 177.874 176.300 -0.215 0.000 0.987 48 D CA 0.881 54.681 54.000 -0.334 0.000 0.829 48 D CB -0.403 40.383 40.800 -0.023 0.000 0.961 48 D HN 0.500 nan 8.370 nan 0.000 0.460 49 E N 0.242 120.338 120.200 -0.173 0.000 2.085 49 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 49 E C 2.277 178.812 176.600 -0.108 0.000 0.994 49 E CA 0.406 56.745 56.400 -0.101 0.000 0.801 49 E CB -0.141 29.498 29.700 -0.102 0.000 0.743 49 E HN 0.287 nan 8.360 nan 0.000 0.453 50 L N 0.248 121.350 121.223 -0.202 0.000 2.261 50 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 50 L C 2.043 178.868 176.870 -0.075 0.000 1.114 50 L CA 0.676 55.416 54.840 -0.167 0.000 0.777 50 L CB -0.398 41.522 42.059 -0.233 0.000 0.910 50 L HN 0.200 nan 8.230 nan 0.000 0.440 51 Y N -0.875 119.394 120.300 -0.052 0.000 2.403 51 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 51 Y C 2.143 178.019 175.900 -0.039 0.000 1.143 51 Y CA 0.443 58.519 58.100 -0.041 0.000 1.257 51 Y CB -0.282 38.156 38.460 -0.037 0.000 0.984 51 Y HN 0.099 nan 8.280 nan 0.000 0.550 52 L N 0.077 121.367 121.223 0.111 0.000 2.622 52 L HA -0.121 4.219 4.340 -0.000 0.000 0.233 52 L C 1.113 177.998 176.870 0.025 0.000 1.156 52 L CA 1.255 56.125 54.840 0.050 0.000 0.866 52 L CB -0.815 41.258 42.059 0.024 0.000 0.980 52 L HN 0.199 nan 8.230 nan 0.000 0.448 53 D N 0.084 120.500 120.400 0.027 0.000 2.277 53 D HA 0.146 4.786 4.640 -0.000 0.000 0.208 53 D C 1.328 177.635 176.300 0.011 0.000 0.962 53 D CA 0.940 54.944 54.000 0.008 0.000 0.865 53 D CB 0.589 41.388 40.800 -0.002 0.000 0.939 53 D HN 0.353 nan 8.370 nan 0.000 0.510 54 G N 0.589 109.403 108.800 0.024 0.000 2.712 54 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.683 54 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.683 54 G C -0.390 174.517 174.900 0.011 0.000 1.320 54 G CA -0.624 44.479 45.100 0.005 0.000 0.847 54 G HN 0.188 nan 8.290 nan 0.000 0.553 55 N N 0.979 119.672 118.700 -0.012 0.000 2.406 55 N HA 0.454 5.194 4.740 -0.000 0.000 0.251 55 N C 1.502 177.023 175.510 0.019 0.000 1.069 55 N CA 0.685 53.737 53.050 0.004 0.000 0.947 55 N CB 1.254 39.724 38.487 -0.027 0.000 1.111 55 N HN 1.100 nan 8.380 nan 0.000 0.497 56 A N 5.281 128.125 122.820 0.040 0.000 1.940 56 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 56 A C 2.026 179.650 177.584 0.067 0.000 1.176 56 A CA 1.048 53.110 52.037 0.041 0.000 0.631 56 A CB -0.107 18.919 19.000 0.044 0.000 0.814 56 A HN 0.646 nan 8.150 nan 0.000 0.446 57 R N -0.256 120.319 120.500 0.126 0.000 2.152 57 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 57 R C 1.619 178.035 176.300 0.192 0.000 1.117 57 R CA 1.339 57.571 56.100 0.220 0.000 0.981 57 R CB -0.476 30.022 30.300 0.330 0.000 0.870 57 R HN 0.731 nan 8.270 nan 0.000 0.451 58 Q N 0.277 120.136 119.800 0.099 0.000 2.360 58 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 58 Q C 0.018 176.052 176.000 0.058 0.000 0.915 58 Q CA -0.274 55.545 55.803 0.028 0.000 0.943 58 Q CB 0.176 28.776 28.738 -0.230 0.000 1.064 58 Q HN 0.082 nan 8.270 nan 0.000 0.511 59 N N 1.314 120.015 118.700 0.002 0.000 2.421 59 N HA 0.018 4.758 4.740 -0.000 0.000 0.260 59 N C -0.071 175.385 175.510 -0.091 0.000 1.173 59 N CA 0.201 53.240 53.050 -0.018 0.000 0.960 59 N CB 0.399 38.874 38.487 -0.019 0.000 1.273 59 N HN 0.224 nan 8.380 nan 0.000 0.497 60 L N 2.240 123.403 121.223 -0.101 0.000 2.685 60 L HA 0.237 4.577 4.340 -0.000 0.000 0.233 60 L C 1.595 178.377 176.870 -0.146 0.000 1.173 60 L CA -0.095 54.614 54.840 -0.217 0.000 0.961 60 L CB -0.052 41.839 42.059 -0.280 0.000 1.217 60 L HN 0.500 nan 8.230 nan 0.000 0.478 61 A N -0.925 121.851 122.820 -0.075 0.000 1.973 61 A HA 0.049 4.369 4.320 -0.000 0.000 0.210 61 A C 1.363 178.950 177.584 0.004 0.000 1.200 61 A CA 0.424 52.450 52.037 -0.020 0.000 0.707 61 A CB 0.025 19.033 19.000 0.014 0.000 0.862 61 A HN 0.247 nan 8.150 nan 0.000 0.461 62 T N -1.671 112.873 114.554 -0.018 0.000 2.860 62 T HA 0.333 4.683 4.350 -0.000 0.000 0.299 62 T C 0.306 175.010 174.700 0.005 0.000 1.045 62 T CA 0.056 62.181 62.100 0.042 0.000 1.071 62 T CB 0.093 68.951 68.868 -0.016 0.000 0.985 62 T HN 0.184 nan 8.240 nan 0.000 0.537 63 F N 0.805 120.676 119.950 -0.132 0.000 2.694 63 F HA 0.308 4.835 4.527 -0.000 0.000 0.292 63 F C 1.531 177.183 175.800 -0.245 0.000 1.121 63 F CA -0.522 57.378 58.000 -0.166 0.000 1.352 63 F CB -0.006 38.944 39.000 -0.083 0.000 1.107 63 F HN 0.462 nan 8.300 nan 0.000 0.597 64 C N 1.533 120.823 119.300 -0.017 0.000 2.604 64 C HA 0.244 4.704 4.460 -0.000 0.000 0.396 64 C C 0.699 175.627 174.990 -0.102 0.000 1.282 64 C CA -1.267 57.689 59.018 -0.104 0.000 2.292 64 C CB 0.034 27.646 27.740 -0.214 0.000 2.633 64 C HN 0.192 nan 8.230 nan 0.000 0.620 65 Q N 1.436 121.194 119.800 -0.069 0.000 2.304 65 Q HA 0.067 4.407 4.340 -0.000 0.000 0.301 65 Q C 1.085 177.090 176.000 0.010 0.000 1.063 65 Q CA 0.865 56.660 55.803 -0.013 0.000 0.947 65 Q CB 0.509 29.264 28.738 0.028 0.000 1.201 65 Q HN 1.005 nan 8.270 nan 0.000 0.389 66 T N -1.107 113.494 114.554 0.078 0.000 3.200 66 T HA 0.384 4.734 4.350 -0.000 0.000 0.284 66 T C -0.389 174.455 174.700 0.241 0.000 1.009 66 T CA -0.559 61.605 62.100 0.107 0.000 0.907 66 T CB 0.025 68.946 68.868 0.087 0.000 1.120 66 T HN 0.512 nan 8.240 nan 0.000 0.534 67 W N 1.182 122.504 121.300 0.037 0.000 3.296 67 W HA 0.587 5.247 4.660 -0.000 0.000 0.314 67 W C -2.300 174.264 176.519 0.074 0.000 1.238 67 W CA -0.599 56.791 57.345 0.074 0.000 1.193 67 W CB 1.500 31.008 29.460 0.081 0.000 1.383 67 W HN -0.005 nan 8.180 nan 0.000 0.545 68 D N 3.395 123.268 120.400 -0.878 0.000 2.857 68 D HA 0.118 4.758 4.640 -0.000 0.000 0.227 68 D C -0.840 174.666 176.300 -1.324 0.000 1.192 68 D CA -0.400 53.153 54.000 -0.744 0.000 0.857 68 D CB 2.197 42.753 40.800 -0.406 0.000 1.645 68 D HN 0.423 nan 8.370 nan 0.000 0.482 69 D N -0.039 119.882 120.400 -0.798 0.000 2.358 69 D HA -0.040 4.600 4.640 -0.000 0.000 0.244 69 D C 0.915 177.080 176.300 -0.225 0.000 1.163 69 D CA -0.158 53.548 54.000 -0.491 0.000 0.945 69 D CB 1.331 42.168 40.800 0.062 0.000 1.152 69 D HN 0.484 nan 8.370 nan 0.000 0.451 70 E N 0.377 120.493 120.200 -0.139 0.000 2.114 70 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 70 E C 1.282 177.824 176.600 -0.096 0.000 1.008 70 E CA 1.439 57.767 56.400 -0.120 0.000 0.810 70 E CB 0.033 29.692 29.700 -0.069 0.000 0.739 70 E HN 0.409 nan 8.360 nan 0.000 0.456 71 N N -0.066 118.553 118.700 -0.135 0.000 2.188 71 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 71 N C 1.836 177.108 175.510 -0.396 0.000 1.018 71 N CA 1.076 53.954 53.050 -0.287 0.000 0.858 71 N CB -0.210 38.013 38.487 -0.440 0.000 0.989 71 N HN 0.084 nan 8.380 nan 0.000 0.426 72 V N 1.458 121.156 119.914 -0.361 0.000 2.427 72 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 72 V C 2.131 178.090 176.094 -0.225 0.000 1.051 72 V CA 1.349 63.464 62.300 -0.309 0.000 1.048 72 V CB -0.588 31.101 31.823 -0.222 0.000 0.666 72 V HN 0.423 nan 8.190 nan 0.000 0.456 73 H N 0.524 119.449 119.070 -0.242 0.000 2.319 73 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 73 H C 2.432 177.669 175.328 -0.152 0.000 1.092 73 H CA 1.950 57.886 56.048 -0.187 0.000 1.302 73 H CB 0.087 29.739 29.762 -0.183 0.000 1.373 73 H HN 0.448 nan 8.280 nan 0.000 0.497 74 K N 0.501 120.880 120.400 -0.035 0.000 2.026 74 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 74 K C 2.468 179.016 176.600 -0.087 0.000 1.048 74 K CA 0.835 57.086 56.287 -0.061 0.000 0.929 74 K CB -0.137 32.319 32.500 -0.073 0.000 0.713 74 K HN 0.157 nan 8.250 nan 0.000 0.439 75 L N 0.565 121.707 121.223 -0.136 0.000 2.042 75 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 75 L C 2.631 179.440 176.870 -0.101 0.000 1.076 75 L CA 0.922 55.690 54.840 -0.121 0.000 0.749 75 L CB -0.382 41.577 42.059 -0.167 0.000 0.893 75 L HN 0.287 nan 8.230 nan 0.000 0.432 76 M N -0.682 118.842 119.600 -0.127 0.000 2.117 76 M HA -0.230 4.250 4.480 -0.000 0.000 0.262 76 M C 1.904 178.148 176.300 -0.094 0.000 1.065 76 M CA 1.701 56.927 55.300 -0.123 0.000 1.114 76 M CB -1.110 31.384 32.600 -0.177 0.000 1.361 76 M HN 0.190 nan 8.290 nan 0.000 0.408 77 D N 0.231 120.583 120.400 -0.079 0.000 2.178 77 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 77 D C 2.136 178.408 176.300 -0.047 0.000 0.974 77 D CA 0.766 54.733 54.000 -0.054 0.000 0.841 77 D CB 0.094 40.872 40.800 -0.037 0.000 0.953 77 D HN 0.250 nan 8.370 nan 0.000 0.478 78 L N -0.389 120.805 121.223 -0.048 0.000 2.217 78 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 78 L C 1.288 178.133 176.870 -0.041 0.000 1.107 78 L CA 0.861 55.679 54.840 -0.036 0.000 0.783 78 L CB 0.020 42.061 42.059 -0.031 0.000 0.919 78 L HN -0.006 nan 8.230 nan 0.000 0.442 79 S N -0.707 114.958 115.700 -0.058 0.000 2.575 79 S HA 0.133 4.603 4.470 -0.000 0.000 0.237 79 S C 1.475 176.021 174.600 -0.090 0.000 0.975 79 S CA -0.291 57.863 58.200 -0.076 0.000 0.960 79 S CB 0.343 63.500 63.200 -0.072 0.000 0.822 79 S HN 0.285 nan 8.310 nan 0.000 0.472 80 I N 1.854 122.380 120.570 -0.073 0.000 2.530 80 I HA -0.171 3.999 4.170 -0.000 0.000 0.257 80 I C 0.564 176.636 176.117 -0.075 0.000 1.179 80 I CA 1.169 62.427 61.300 -0.069 0.000 1.440 80 I CB 0.141 38.111 38.000 -0.051 0.000 1.087 80 I HN 0.211 nan 8.210 nan 0.000 0.440 81 N N 0.726 119.371 118.700 -0.091 0.000 2.197 81 N HA 0.141 4.881 4.740 -0.000 0.000 0.228 81 N C -0.513 174.851 175.510 -0.243 0.000 1.212 81 N CA 0.001 52.988 53.050 -0.105 0.000 0.883 81 N CB 0.494 38.956 38.487 -0.043 0.000 1.107 81 N HN 0.269 nan 8.380 nan 0.000 0.519 82 K N 1.540 121.737 120.400 -0.337 0.000 2.316 82 K HA 0.162 4.482 4.320 -0.000 0.000 0.289 82 K C -0.156 176.112 176.600 -0.554 0.000 1.070 82 K CA -0.373 55.483 56.287 -0.719 0.000 0.928 82 K CB 0.777 32.996 32.500 -0.468 0.000 1.039 82 K HN -0.123 nan 8.250 nan 0.000 0.480 83 N N 3.124 121.393 118.700 -0.718 0.000 2.439 83 N HA -0.031 4.709 4.740 -0.000 0.000 0.243 83 N C 0.443 175.898 175.510 -0.090 0.000 1.088 83 N CA -0.269 52.653 53.050 -0.213 0.000 0.940 83 N CB 0.274 38.754 38.487 -0.013 0.000 1.180 83 N HN 0.665 nan 8.380 nan 0.000 0.505 84 W N 4.928 126.109 121.300 -0.198 0.000 2.321 84 W HA -0.223 4.437 4.660 -0.000 0.000 0.285 84 W C 1.465 177.884 176.519 -0.168 0.000 1.213 84 W CA 0.873 58.121 57.345 -0.163 0.000 1.205 84 W CB -0.055 29.305 29.460 -0.166 0.000 1.134 84 W HN 0.621 nan 8.180 nan 0.000 0.549 85 I N 0.492 120.910 120.570 -0.252 0.000 2.584 85 I HA -0.109 4.061 4.170 -0.000 0.000 0.255 85 I C 0.654 176.485 176.117 -0.477 0.000 1.145 85 I CA 1.231 62.186 61.300 -0.574 0.000 1.462 85 I CB -0.470 37.055 38.000 -0.792 0.000 1.102 85 I HN -0.245 nan 8.210 nan 0.000 0.433 86 D N 2.083 122.351 120.400 -0.221 0.000 2.671 86 D HA -0.004 4.636 4.640 -0.000 0.000 0.228 86 D C 1.315 177.554 176.300 -0.101 0.000 1.102 86 D CA -0.002 53.944 54.000 -0.090 0.000 1.044 86 D CB 0.278 41.124 40.800 0.077 0.000 1.113 86 D HN 0.235 nan 8.370 nan 0.000 0.480 87 K N 0.765 121.020 120.400 -0.241 0.000 2.089 87 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 87 K C 1.728 178.286 176.600 -0.071 0.000 1.048 87 K CA 1.108 57.221 56.287 -0.290 0.000 0.926 87 K CB -0.008 32.227 32.500 -0.442 0.000 0.714 87 K HN 0.276 nan 8.250 nan 0.000 0.448 88 E N 1.044 121.246 120.200 0.003 0.000 2.216 88 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 88 E C 1.517 178.100 176.600 -0.029 0.000 0.988 88 E CA 0.933 57.373 56.400 0.067 0.000 0.834 88 E CB 0.203 29.931 29.700 0.047 0.000 0.772 88 E HN 0.401 nan 8.360 nan 0.000 0.479 89 E N -1.268 118.857 120.200 -0.125 0.000 2.190 89 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 89 E C -0.216 176.049 176.600 -0.558 0.000 0.978 89 E CA 0.473 56.663 56.400 -0.349 0.000 0.839 89 E CB 0.264 29.695 29.700 -0.448 0.000 0.787 89 E HN 0.278 nan 8.360 nan 0.000 0.473 90 Y N 0.307 120.592 120.300 -0.025 0.000 2.562 90 Y HA 0.192 4.742 4.550 -0.000 0.000 0.363 90 Y C -1.837 174.052 175.900 -0.018 0.000 0.991 90 Y CA -2.238 55.850 58.100 -0.021 0.000 1.121 90 Y CB 0.791 39.228 38.460 -0.039 0.000 1.159 90 Y HN 0.038 nan 8.280 nan 0.000 0.651 91 P HA -0.263 nan 4.420 nan 0.000 0.216 91 P C 1.434 178.835 177.300 0.168 0.000 1.153 91 P CA 1.528 64.746 63.100 0.197 0.000 0.858 91 P CB 0.708 32.521 31.700 0.188 0.000 0.789 92 Q N 0.454 120.326 119.800 0.121 0.000 2.123 92 Q HA -0.057 4.283 4.340 -0.000 0.000 0.199 92 Q C 2.380 178.415 176.000 0.060 0.000 0.966 92 Q CA 1.797 57.655 55.803 0.091 0.000 0.845 92 Q CB -1.057 27.729 28.738 0.080 0.000 0.907 92 Q HN 0.136 nan 8.270 nan 0.000 0.439 93 S N 0.235 115.976 115.700 0.068 0.000 2.368 93 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 93 S C 1.939 176.539 174.600 0.000 0.000 1.030 93 S CA 1.028 59.253 58.200 0.043 0.000 0.999 93 S CB -0.646 62.585 63.200 0.051 0.000 0.844 93 S HN 0.593 nan 8.310 nan 0.000 0.459 94 A N 1.767 124.548 122.820 -0.065 0.000 1.908 94 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 94 A C 2.374 179.886 177.584 -0.119 0.000 1.181 94 A CA 1.883 53.788 52.037 -0.219 0.000 0.627 94 A CB -1.196 17.525 19.000 -0.466 0.000 0.818 94 A HN 0.527 nan 8.150 nan 0.000 0.445 95 A N -0.013 122.808 122.820 0.002 0.000 1.858 95 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 95 A C 2.139 179.707 177.584 -0.027 0.000 1.190 95 A CA 1.598 53.671 52.037 0.060 0.000 0.617 95 A CB -0.688 18.373 19.000 0.102 0.000 0.827 95 A HN 0.503 nan 8.150 nan 0.000 0.443 96 I N -0.213 120.304 120.570 -0.090 0.000 2.208 96 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 96 I C 2.357 178.391 176.117 -0.139 0.000 1.097 96 I CA 1.788 62.925 61.300 -0.272 0.000 1.363 96 I CB -0.463 37.379 38.000 -0.262 0.000 1.051 96 I HN 0.375 nan 8.210 nan 0.000 0.413 97 D N 1.293 121.718 120.400 0.042 0.000 2.106 97 D HA -0.206 4.434 4.640 -0.000 0.000 0.191 97 D C 2.206 178.637 176.300 0.217 0.000 0.997 97 D CA 1.722 55.862 54.000 0.233 0.000 0.834 97 D CB -0.248 40.731 40.800 0.299 0.000 0.956 97 D HN 0.237 nan 8.370 nan 0.000 0.448 98 L N -0.045 121.250 121.223 0.120 0.000 2.043 98 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 98 L C 2.859 179.779 176.870 0.083 0.000 1.075 98 L CA 1.334 56.243 54.840 0.115 0.000 0.752 98 L CB -0.345 41.766 42.059 0.086 0.000 0.891 98 L HN 0.011 nan 8.230 nan 0.000 0.432 99 R N -1.056 119.458 120.500 0.023 0.000 2.091 99 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 99 R C 2.412 178.762 176.300 0.083 0.000 1.136 99 R CA 1.738 57.855 56.100 0.028 0.000 0.959 99 R CB -0.835 29.422 30.300 -0.071 0.000 0.856 99 R HN 0.430 nan 8.270 nan 0.000 0.437 100 C N 0.007 119.358 119.300 0.085 0.000 2.413 100 C HA -0.076 4.384 4.460 -0.000 0.000 0.276 100 C C 2.732 177.612 174.990 -0.184 0.000 1.248 100 C CA 0.426 59.471 59.018 0.045 0.000 1.742 100 C CB -0.715 27.022 27.740 -0.005 0.000 2.017 100 C HN 0.302 nan 8.230 nan 0.000 0.481 101 V N 1.970 121.854 119.914 -0.051 0.000 2.282 101 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 101 V C 2.263 178.318 176.094 -0.064 0.000 1.057 101 V CA 2.302 64.596 62.300 -0.010 0.000 1.032 101 V CB -0.753 31.187 31.823 0.195 0.000 0.645 101 V HN 0.525 nan 8.190 nan 0.000 0.447 102 N N -0.129 118.563 118.700 -0.014 0.000 2.061 102 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 102 N C 1.806 177.255 175.510 -0.102 0.000 1.030 102 N CA 1.954 54.986 53.050 -0.030 0.000 0.856 102 N CB -0.429 38.064 38.487 0.010 0.000 1.023 102 N HN 0.449 nan 8.380 nan 0.000 0.424 103 M N -0.038 119.497 119.600 -0.108 0.000 2.067 103 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 103 M C 2.149 178.210 176.300 -0.399 0.000 1.069 103 M CA 1.166 56.340 55.300 -0.209 0.000 1.117 103 M CB -0.414 32.096 32.600 -0.149 0.000 1.334 103 M HN -0.091 nan 8.290 nan 0.000 0.407 104 V N 0.542 120.166 119.914 -0.484 0.000 2.392 104 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 104 V C 2.621 178.239 176.094 -0.794 0.000 1.059 104 V CA 2.030 63.846 62.300 -0.808 0.000 1.051 104 V CB -1.236 30.034 31.823 -0.922 0.000 0.658 104 V HN 0.548 nan 8.190 nan 0.000 0.455 105 A N 0.073 122.658 122.820 -0.391 0.000 1.930 105 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 105 A C 2.037 179.537 177.584 -0.140 0.000 1.175 105 A CA 2.054 54.001 52.037 -0.150 0.000 0.627 105 A CB -0.579 18.387 19.000 -0.057 0.000 0.815 105 A HN 0.635 nan 8.150 nan 0.000 0.443 106 D N -0.392 119.882 120.400 -0.209 0.000 2.084 106 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 106 D C 1.723 177.847 176.300 -0.293 0.000 0.985 106 D CA 1.239 55.126 54.000 -0.189 0.000 0.826 106 D CB -0.338 40.361 40.800 -0.167 0.000 0.978 106 D HN 0.189 nan 8.370 nan 0.000 0.456 107 L N -0.421 120.557 121.223 -0.408 0.000 2.270 107 L HA -0.127 4.213 4.340 -0.000 0.000 0.217 107 L C 0.868 177.534 176.870 -0.339 0.000 1.107 107 L CA 1.274 55.832 54.840 -0.469 0.000 0.772 107 L CB -0.311 41.369 42.059 -0.631 0.000 0.902 107 L HN 0.290 nan 8.230 nan 0.000 0.439 108 W N -0.928 120.157 121.300 -0.359 0.000 3.102 108 W HA 0.278 4.938 4.660 -0.000 0.000 0.401 108 W C 0.721 177.144 176.519 -0.161 0.000 1.070 108 W CA -0.253 56.878 57.345 -0.358 0.000 1.921 108 W CB -1.375 27.933 29.460 -0.254 0.000 1.118 108 W HN 0.395 nan 8.180 nan 0.000 0.647 109 H N -1.100 118.023 119.070 0.088 0.000 2.861 109 H HA -0.143 4.413 4.556 -0.000 0.000 0.289 109 H C 1.054 176.441 175.328 0.099 0.000 1.176 109 H CA 0.433 56.505 56.048 0.039 0.000 1.146 109 H CB -1.407 28.326 29.762 -0.049 0.000 1.330 109 H HN 0.084 nan 8.280 nan 0.000 0.379 110 A N 0.915 123.856 122.820 0.201 0.000 2.520 110 A HA 0.315 4.635 4.320 -0.000 0.000 0.245 110 A C -1.702 175.794 177.584 -0.148 0.000 1.072 110 A CA -0.935 50.950 52.037 -0.253 0.000 0.761 110 A CB 0.175 18.869 19.000 -0.511 0.000 1.004 110 A HN 0.111 nan 8.150 nan 0.000 0.499 111 P HA 0.103 nan 4.420 nan 0.000 0.255 111 P C 0.130 177.386 177.300 -0.073 0.000 1.161 111 P CA 0.925 63.975 63.100 -0.083 0.000 0.768 111 P CB 0.211 31.860 31.700 -0.085 0.000 0.746 112 A N 6.589 129.386 122.820 -0.038 0.000 2.587 112 A HA 0.208 4.528 4.320 -0.000 0.000 0.235 112 A C -1.487 176.081 177.584 -0.026 0.000 1.044 112 A CA -0.480 51.540 52.037 -0.029 0.000 0.754 112 A CB -0.940 18.051 19.000 -0.014 0.000 0.968 112 A HN 0.421 nan 8.150 nan 0.000 0.509 113 P HA 0.304 nan 4.420 nan 0.000 0.292 113 P C 0.022 177.320 177.300 -0.003 0.000 1.283 113 P CA -0.619 62.474 63.100 -0.011 0.000 0.835 113 P CB 1.651 33.349 31.700 -0.004 0.000 1.017 114 K N 2.047 122.447 120.400 -0.000 0.000 2.243 114 K HA -0.059 4.261 4.320 -0.000 0.000 0.201 114 K C 1.416 178.020 176.600 0.007 0.000 1.051 114 K CA 0.744 57.032 56.287 0.002 0.000 0.970 114 K CB 0.042 32.542 32.500 0.001 0.000 0.755 114 K HN 0.445 nan 8.250 nan 0.000 0.465 115 N N 0.000 118.706 118.700 0.009 0.000 2.512 115 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 115 N C 1.110 176.631 175.510 0.019 0.000 1.073 115 N CA 1.292 54.351 53.050 0.014 0.000 0.911 115 N CB 0.100 38.597 38.487 0.017 0.000 0.964 115 N HN 0.295 nan 8.380 nan 0.000 0.447 116 G N -0.259 108.552 108.800 0.018 0.000 2.157 116 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.239 116 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.239 116 G C -0.232 174.686 174.900 0.031 0.000 0.982 116 G CA 0.302 45.415 45.100 0.022 0.000 0.650 116 G HN 0.623 nan 8.290 nan 0.000 0.527 117 Q N 0.272 120.094 119.800 0.035 0.000 2.337 117 Q HA 0.746 5.086 4.340 -0.000 0.000 0.260 117 Q C 0.232 176.264 176.000 0.054 0.000 0.982 117 Q CA 0.452 56.286 55.803 0.051 0.000 0.734 117 Q CB 1.057 29.834 28.738 0.066 0.000 1.272 117 Q HN 1.238 nan 8.270 nan 0.000 0.461 118 A N 2.410 125.259 122.820 0.049 0.000 2.492 118 A HA 0.391 4.711 4.320 -0.000 0.000 0.236 118 A C -0.399 177.253 177.584 0.113 0.000 1.078 118 A CA -0.217 51.851 52.037 0.052 0.000 0.773 118 A CB 0.506 19.523 19.000 0.030 0.000 1.023 118 A HN 0.563 nan 8.150 nan 0.000 0.504 119 V N 1.805 121.807 119.914 0.147 0.000 2.348 119 V HA 0.646 4.766 4.120 -0.000 0.000 0.270 119 V C 0.788 177.143 176.094 0.434 0.000 1.037 119 V CA 0.986 63.433 62.300 0.245 0.000 0.872 119 V CB 0.254 32.204 31.823 0.212 0.000 1.002 119 V HN 1.472 nan 8.190 nan 0.000 0.464 120 G N 3.135 112.223 108.800 0.479 0.000 2.349 120 G HA2 0.587 4.547 3.960 -0.000 0.000 0.294 120 G HA3 0.587 4.547 3.960 -0.000 0.000 0.294 120 G C -1.083 174.152 174.900 0.559 0.000 1.380 120 G CA 0.070 45.542 45.100 0.620 0.000 0.811 120 G HN 0.685 nan 8.290 nan 0.000 0.519 121 T N -0.654 114.245 114.554 0.574 0.000 2.868 121 T HA 0.546 4.896 4.350 -0.000 0.000 0.306 121 T C -1.070 173.854 174.700 0.373 0.000 1.224 121 T CA -0.695 61.704 62.100 0.499 0.000 1.012 121 T CB 1.841 71.002 68.868 0.489 0.000 1.221 121 T HN 0.752 nan 8.240 nan 0.000 0.499 122 N N 1.001 119.807 118.700 0.176 0.000 2.493 122 N HA 0.591 5.331 4.740 -0.000 0.000 0.275 122 N C -0.525 174.625 175.510 -0.601 0.000 1.186 122 N CA 0.045 52.787 53.050 -0.513 0.000 0.978 122 N CB 1.699 39.736 38.487 -0.749 0.000 1.184 122 N HN 0.932 nan 8.380 nan 0.000 0.487 123 T N -0.951 113.152 114.554 -0.751 0.000 2.816 123 T HA 0.358 4.708 4.350 -0.000 0.000 0.299 123 T C 1.354 175.706 174.700 -0.581 0.000 1.230 123 T CA -0.754 60.997 62.100 -0.582 0.000 1.007 123 T CB 0.638 69.301 68.868 -0.341 0.000 1.289 123 T HN 0.221 nan 8.240 nan 0.000 0.508 124 I N 0.925 121.245 120.570 -0.416 0.000 2.394 124 I HA 0.220 4.390 4.170 -0.000 0.000 0.251 124 I C 1.459 177.421 176.117 -0.259 0.000 1.136 124 I CA 1.821 62.934 61.300 -0.310 0.000 1.425 124 I CB -1.178 36.711 38.000 -0.186 0.000 1.079 124 I HN 1.020 nan 8.210 nan 0.000 0.425 125 G N -1.885 106.766 108.800 -0.248 0.000 2.488 125 G HA2 0.216 4.176 3.960 -0.000 0.000 0.301 125 G HA3 0.216 4.176 3.960 -0.000 0.000 0.301 125 G C 0.198 175.010 174.900 -0.147 0.000 1.339 125 G CA 0.189 45.158 45.100 -0.218 0.000 0.803 125 G HN -0.168 nan 8.290 nan 0.000 0.482 126 S N -0.755 114.916 115.700 -0.048 0.000 2.382 126 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 126 S C 2.596 177.151 174.600 -0.074 0.000 1.027 126 S CA 2.120 60.316 58.200 -0.007 0.000 0.991 126 S CB -0.335 62.908 63.200 0.072 0.000 0.823 126 S HN 0.651 nan 8.310 nan 0.000 0.469 127 S N 1.003 116.654 115.700 -0.082 0.000 2.365 127 S HA -0.235 4.235 4.470 -0.000 0.000 0.221 127 S C 1.917 176.419 174.600 -0.165 0.000 1.037 127 S CA 2.069 60.184 58.200 -0.141 0.000 1.060 127 S CB -0.599 62.557 63.200 -0.074 0.000 0.974 127 S HN 0.717 nan 8.310 nan 0.000 0.427 128 E N 0.370 120.500 120.200 -0.116 0.000 2.097 128 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 128 E C 2.097 178.592 176.600 -0.175 0.000 1.000 128 E CA 1.192 57.519 56.400 -0.122 0.000 0.804 128 E CB -0.457 29.168 29.700 -0.125 0.000 0.740 128 E HN 0.556 nan 8.360 nan 0.000 0.454 129 A N 0.655 123.383 122.820 -0.153 0.000 1.883 129 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 129 A C 2.543 180.020 177.584 -0.177 0.000 1.186 129 A CA 1.630 53.597 52.037 -0.117 0.000 0.624 129 A CB -1.113 17.872 19.000 -0.024 0.000 0.822 129 A HN 0.568 nan 8.150 nan 0.000 0.444 130 C N -0.390 118.758 119.300 -0.254 0.000 2.429 130 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 130 C C 2.989 177.545 174.990 -0.724 0.000 1.262 130 C CA 1.435 60.150 59.018 -0.505 0.000 1.733 130 C CB -1.168 26.023 27.740 -0.915 0.000 2.010 130 C HN 0.643 nan 8.230 nan 0.000 0.483 131 M N 0.101 119.362 119.600 -0.564 0.000 2.159 131 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 131 M C 2.108 178.147 176.300 -0.436 0.000 1.063 131 M CA 1.706 56.699 55.300 -0.511 0.000 1.110 131 M CB -0.999 31.482 32.600 -0.198 0.000 1.374 131 M HN 0.383 nan 8.290 nan 0.000 0.411 132 L N 0.245 121.279 121.223 -0.315 0.000 2.017 132 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 132 L C 2.826 179.776 176.870 0.134 0.000 1.073 132 L CA 1.465 56.174 54.840 -0.218 0.000 0.745 132 L CB -1.285 40.608 42.059 -0.275 0.000 0.894 132 L HN 0.399 nan 8.230 nan 0.000 0.432 133 G N -0.565 108.186 108.800 -0.081 0.000 2.432 133 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 133 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 133 G C 1.532 176.333 174.900 -0.166 0.000 1.135 133 G CA 0.715 45.714 45.100 -0.168 0.000 0.767 133 G HN 0.491 nan 8.290 nan 0.000 0.550 134 G N 0.924 109.489 108.800 -0.391 0.000 2.453 134 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 134 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 134 G C 1.874 176.799 174.900 0.041 0.000 1.201 134 G CA 0.972 45.750 45.100 -0.537 0.000 0.784 134 G HN 0.382 nan 8.290 nan 0.000 0.545 135 M N 0.895 120.526 119.600 0.051 0.000 2.144 135 M HA -0.106 4.374 4.480 -0.000 0.000 0.260 135 M C 3.033 179.566 176.300 0.389 0.000 1.067 135 M CA 1.384 56.824 55.300 0.232 0.000 1.095 135 M CB -0.330 32.290 32.600 0.033 0.000 1.365 135 M HN 0.349 nan 8.290 nan 0.000 0.406 136 A N 0.384 123.407 122.820 0.337 0.000 1.873 136 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 136 A C 2.143 179.958 177.584 0.385 0.000 1.193 136 A CA 1.898 54.146 52.037 0.351 0.000 0.629 136 A CB -0.663 18.671 19.000 0.557 0.000 0.826 136 A HN 0.461 nan 8.150 nan 0.000 0.447 137 M N -1.159 118.647 119.600 0.343 0.000 2.065 137 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 137 M C 2.372 178.909 176.300 0.394 0.000 1.069 137 M CA 2.261 57.752 55.300 0.318 0.000 1.110 137 M CB -0.386 32.342 32.600 0.215 0.000 1.328 137 M HN 0.507 nan 8.290 nan 0.000 0.405 138 K N -0.162 120.501 120.400 0.439 0.000 2.044 138 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 138 K C 1.980 178.887 176.600 0.511 0.000 1.049 138 K CA 1.734 58.301 56.287 0.467 0.000 0.927 138 K CB -0.203 32.590 32.500 0.489 0.000 0.713 138 K HN 0.449 nan 8.250 nan 0.000 0.443 139 W N 1.165 122.626 121.300 0.268 0.000 2.358 139 W HA -0.154 4.506 4.660 -0.000 0.000 0.303 139 W C 2.191 178.818 176.519 0.180 0.000 1.208 139 W CA 1.026 58.492 57.345 0.202 0.000 1.274 139 W CB -0.152 29.383 29.460 0.126 0.000 1.138 139 W HN 0.212 nan 8.180 nan 0.000 0.515 140 R N -0.870 119.876 120.500 0.410 0.000 2.083 140 R HA -0.240 4.100 4.340 -0.000 0.000 0.237 140 R C 1.960 178.412 176.300 0.254 0.000 1.137 140 R CA 2.186 58.455 56.100 0.282 0.000 0.951 140 R CB -1.332 29.133 30.300 0.274 0.000 0.851 140 R HN 0.236 nan 8.270 nan 0.000 0.434 141 W N 1.907 123.279 121.300 0.120 0.000 2.332 141 W HA -0.226 4.434 4.660 -0.000 0.000 0.321 141 W C 2.440 178.978 176.519 0.033 0.000 1.219 141 W CA 1.644 59.036 57.345 0.079 0.000 1.277 141 W CB -0.403 29.111 29.460 0.091 0.000 1.161 141 W HN -0.076 nan 8.180 nan 0.000 0.476 142 R N 0.726 121.240 120.500 0.024 0.000 2.112 142 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 142 R C 2.378 178.492 176.300 -0.311 0.000 1.137 142 R CA 2.697 58.602 56.100 -0.325 0.000 0.944 142 R CB -0.476 29.704 30.300 -0.199 0.000 0.857 142 R HN 0.147 nan 8.270 nan 0.000 0.435 143 K N -0.294 120.021 120.400 -0.141 0.000 2.001 143 K HA -0.230 4.090 4.320 -0.000 0.000 0.214 143 K C 2.317 178.837 176.600 -0.133 0.000 1.050 143 K CA 1.880 58.109 56.287 -0.097 0.000 0.934 143 K CB -0.301 32.198 32.500 -0.001 0.000 0.718 143 K HN 0.182 nan 8.250 nan 0.000 0.443 144 R N 0.351 120.775 120.500 -0.127 0.000 2.115 144 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 144 R C 2.415 178.591 176.300 -0.207 0.000 1.133 144 R CA 2.065 58.087 56.100 -0.129 0.000 0.935 144 R CB -0.133 30.110 30.300 -0.095 0.000 0.853 144 R HN 0.169 nan 8.270 nan 0.000 0.433 145 M N 0.432 119.800 119.600 -0.388 0.000 2.086 145 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 145 M C 1.924 178.068 176.300 -0.260 0.000 1.067 145 M CA 1.695 56.758 55.300 -0.395 0.000 1.116 145 M CB -1.029 31.145 32.600 -0.709 0.000 1.348 145 M HN 0.220 nan 8.290 nan 0.000 0.407 146 E N 0.396 120.445 120.200 -0.251 0.000 2.118 146 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 146 E C 2.089 178.622 176.600 -0.113 0.000 0.992 146 E CA 1.371 57.673 56.400 -0.164 0.000 0.804 146 E CB -0.222 29.392 29.700 -0.145 0.000 0.741 146 E HN 0.534 nan 8.360 nan 0.000 0.458 147 A N 1.581 124.337 122.820 -0.107 0.000 1.877 147 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 147 A C 2.290 179.835 177.584 -0.065 0.000 1.186 147 A CA 1.551 53.545 52.037 -0.071 0.000 0.620 147 A CB -0.422 18.542 19.000 -0.059 0.000 0.822 147 A HN 0.266 nan 8.150 nan 0.000 0.443 148 A N -0.988 121.784 122.820 -0.079 0.000 2.276 148 A HA 0.429 4.749 4.320 -0.000 0.000 0.212 148 A C 1.492 179.038 177.584 -0.064 0.000 1.230 148 A CA 0.883 52.882 52.037 -0.063 0.000 0.844 148 A CB -1.407 17.556 19.000 -0.063 0.000 0.860 148 A HN 1.912 nan 8.150 nan 0.000 0.486 149 G N 0.214 108.970 108.800 -0.073 0.000 2.372 149 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.297 149 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.297 149 G C -0.029 174.832 174.900 -0.065 0.000 1.005 149 G CA 0.892 45.953 45.100 -0.065 0.000 1.173 149 G HN 0.628 nan 8.290 nan 0.000 0.511 150 K N 0.314 120.658 120.400 -0.093 0.000 2.350 150 K HA 0.570 4.890 4.320 -0.000 0.000 0.241 150 K C -2.253 174.290 176.600 -0.095 0.000 0.994 150 K CA -2.038 54.202 56.287 -0.079 0.000 0.839 150 K CB 2.428 34.880 32.500 -0.079 0.000 1.244 150 K HN 0.088 nan 8.250 nan 0.000 0.443 151 P HA -0.003 nan 4.420 nan 0.000 0.271 151 P C -0.175 177.106 177.300 -0.031 0.000 1.216 151 P CA 0.061 63.148 63.100 -0.022 0.000 0.776 151 P CB 0.554 32.269 31.700 0.025 0.000 0.881 152 T N -2.394 112.142 114.554 -0.029 0.000 3.355 152 T HA 0.141 4.491 4.350 -0.000 0.000 0.276 152 T C 0.300 175.145 174.700 0.241 0.000 1.003 152 T CA -0.447 61.657 62.100 0.007 0.000 0.943 152 T CB -0.650 68.083 68.868 -0.225 0.000 1.158 152 T HN 0.385 nan 8.240 nan 0.000 0.513 153 D N 0.309 120.830 120.400 0.201 0.000 2.440 153 D HA 0.140 4.780 4.640 -0.000 0.000 0.216 153 D C 0.561 176.949 176.300 0.147 0.000 1.150 153 D CA -0.401 53.690 54.000 0.152 0.000 0.832 153 D CB 0.317 41.167 40.800 0.083 0.000 0.992 153 D HN 0.349 nan 8.370 nan 0.000 0.502 154 K N 1.427 121.948 120.400 0.202 0.000 3.278 154 K HA 0.219 4.539 4.320 -0.000 0.000 0.200 154 K C -2.738 173.884 176.600 0.037 0.000 1.107 154 K CA -1.174 55.179 56.287 0.111 0.000 0.923 154 K CB 1.858 34.420 32.500 0.104 0.000 0.787 154 K HN 0.101 nan 8.250 nan 0.000 0.481 155 P HA 0.051 nan 4.420 nan 0.000 0.275 155 P C -1.174 175.947 177.300 -0.297 0.000 1.227 155 P CA -0.195 62.586 63.100 -0.530 0.000 0.781 155 P CB 0.860 32.067 31.700 -0.821 0.000 0.906 156 N N 1.913 120.422 118.700 -0.319 0.000 2.321 156 N HA 0.624 5.364 4.740 -0.000 0.000 0.290 156 N C -1.634 173.778 175.510 -0.163 0.000 1.212 156 N CA -1.058 51.892 53.050 -0.166 0.000 0.767 156 N CB 1.516 39.941 38.487 -0.103 0.000 1.494 156 N HN 0.337 nan 8.380 nan 0.000 0.479 157 L N 0.877 122.048 121.223 -0.087 0.000 2.381 157 L HA 0.684 5.024 4.340 -0.000 0.000 0.274 157 L C -1.438 175.365 176.870 -0.112 0.000 0.988 157 L CA -0.964 53.826 54.840 -0.083 0.000 0.824 157 L CB 1.583 43.650 42.059 0.013 0.000 1.263 157 L HN 0.473 nan 8.230 nan 0.000 0.410 158 V N 4.139 123.970 119.914 -0.138 0.000 2.481 158 V HA 0.619 4.739 4.120 -0.000 0.000 0.286 158 V C -0.028 175.960 176.094 -0.177 0.000 1.042 158 V CA -0.285 61.930 62.300 -0.140 0.000 0.928 158 V CB 1.153 32.895 31.823 -0.136 0.000 0.986 158 V HN 1.019 nan 8.190 nan 0.000 0.462 159 C N 2.247 121.452 119.300 -0.159 0.000 3.275 159 C HA 0.891 5.351 4.460 -0.000 0.000 0.340 159 C C 0.504 175.430 174.990 -0.106 0.000 1.366 159 C CA -0.145 58.767 59.018 -0.177 0.000 1.227 159 C CB 1.049 28.616 27.740 -0.289 0.000 1.512 159 C HN 1.020 nan 8.230 nan 0.000 0.461 160 G N -0.153 108.603 108.800 -0.074 0.000 2.714 160 G HA2 0.706 4.666 3.960 -0.000 0.000 0.197 160 G HA3 0.706 4.666 3.960 -0.000 0.000 0.197 160 G C -2.328 172.569 174.900 -0.004 0.000 1.449 160 G CA -0.615 44.477 45.100 -0.014 0.000 1.065 160 G HN 0.836 nan 8.290 nan 0.000 0.575 161 P HA 0.151 nan 4.420 nan 0.000 0.241 161 P C 0.553 177.940 177.300 0.145 0.000 1.760 161 P CA -0.194 62.914 63.100 0.013 0.000 1.081 161 P CB -0.277 31.400 31.700 -0.037 0.000 1.975 162 V N -0.342 119.661 119.914 0.149 0.000 3.376 162 V HA 0.154 4.274 4.120 -0.000 0.000 0.303 162 V C 0.656 177.002 176.094 0.420 0.000 1.100 162 V CA -0.517 61.930 62.300 0.245 0.000 1.126 162 V CB 0.189 32.111 31.823 0.165 0.000 1.085 162 V HN 0.271 nan 8.190 nan 0.000 0.480 163 Q N 0.423 120.467 119.800 0.407 0.000 2.306 163 Q HA 0.211 4.551 4.340 -0.000 0.000 0.241 163 Q C 0.837 177.027 176.000 0.316 0.000 0.948 163 Q CA -0.452 55.520 55.803 0.282 0.000 0.886 163 Q CB 1.379 30.178 28.738 0.102 0.000 1.227 163 Q HN 0.858 nan 8.270 nan 0.000 0.457 164 I N 3.436 124.129 120.570 0.205 0.000 2.290 164 I HA -0.389 3.781 4.170 -0.000 0.000 0.253 164 I C 2.319 178.531 176.117 0.159 0.000 1.112 164 I CA 1.974 63.379 61.300 0.174 0.000 1.377 164 I CB -0.514 37.510 38.000 0.040 0.000 1.060 164 I HN 0.883 nan 8.210 nan 0.000 0.428 165 C N -1.140 118.188 119.300 0.048 0.000 2.411 165 C HA -0.188 4.272 4.460 -0.000 0.000 0.279 165 C C 2.494 177.422 174.990 -0.103 0.000 1.288 165 C CA 0.406 59.378 59.018 -0.076 0.000 1.764 165 C CB -2.256 25.358 27.740 -0.209 0.000 1.974 165 C HN 0.684 nan 8.230 nan 0.000 0.498 166 W N 0.374 121.743 121.300 0.116 0.000 2.388 166 W HA 0.038 4.698 4.660 -0.000 0.000 0.294 166 W C 2.761 179.347 176.519 0.111 0.000 1.212 166 W CA 1.590 58.994 57.345 0.099 0.000 1.271 166 W CB -0.590 28.884 29.460 0.024 0.000 1.126 166 W HN 0.434 nan 8.180 nan 0.000 0.535 167 H N -0.126 119.093 119.070 0.247 0.000 2.387 167 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 167 H C 1.987 177.324 175.328 0.016 0.000 1.090 167 H CA 1.873 58.001 56.048 0.134 0.000 1.332 167 H CB -0.152 29.655 29.762 0.076 0.000 1.386 167 H HN 0.039 nan 8.280 nan 0.000 0.516 168 K N -0.300 120.129 120.400 0.048 0.000 2.057 168 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 168 K C 1.927 178.334 176.600 -0.322 0.000 1.049 168 K CA 1.310 57.400 56.287 -0.329 0.000 0.931 168 K CB -0.251 32.073 32.500 -0.294 0.000 0.714 168 K HN 0.191 nan 8.250 nan 0.000 0.440 169 F N 1.981 121.880 119.950 -0.086 0.000 2.069 169 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 169 F C 2.216 178.178 175.800 0.269 0.000 1.113 169 F CA 1.539 59.642 58.000 0.172 0.000 1.214 169 F CB -0.596 38.437 39.000 0.055 0.000 0.978 169 F HN -0.016 nan 8.300 nan 0.000 0.474 170 A N 0.445 123.355 122.820 0.151 0.000 1.917 170 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 170 A C 2.376 179.931 177.584 -0.050 0.000 1.182 170 A CA 2.112 54.146 52.037 -0.006 0.000 0.633 170 A CB -0.946 18.108 19.000 0.090 0.000 0.819 170 A HN 0.515 nan 8.150 nan 0.000 0.448 171 R N -1.939 118.531 120.500 -0.051 0.000 2.062 171 R HA -0.119 4.221 4.340 -0.000 0.000 0.231 171 R C 2.046 178.380 176.300 0.055 0.000 1.136 171 R CA 1.714 57.798 56.100 -0.026 0.000 0.948 171 R CB -0.415 29.849 30.300 -0.060 0.000 0.845 171 R HN 0.573 nan 8.270 nan 0.000 0.430 172 Y N -1.174 119.109 120.300 -0.029 0.000 2.224 172 Y HA -0.200 4.350 4.550 -0.000 0.000 0.289 172 Y C 1.474 177.158 175.900 -0.360 0.000 1.146 172 Y CA 0.274 58.241 58.100 -0.222 0.000 1.182 172 Y CB -0.377 37.879 38.460 -0.340 0.000 0.983 172 Y HN 0.249 nan 8.280 nan 0.000 0.524 173 W N 0.853 122.100 121.300 -0.088 0.000 3.067 173 W HA 0.160 4.820 4.660 -0.000 0.000 0.417 173 W C -0.376 176.051 176.519 -0.154 0.000 1.029 173 W CA -0.221 57.032 57.345 -0.154 0.000 1.992 173 W CB -0.081 29.154 29.460 -0.376 0.000 1.122 173 W HN 0.061 nan 8.180 nan 0.000 0.681 174 D N 1.160 121.577 120.400 0.030 0.000 2.890 174 D HA -0.154 4.486 4.640 -0.000 0.000 0.226 174 D C -0.480 175.819 176.300 -0.002 0.000 1.207 174 D CA 0.888 54.898 54.000 0.017 0.000 0.764 174 D CB -1.232 39.588 40.800 0.034 0.000 0.948 174 D HN -0.142 nan 8.370 nan 0.000 0.404 175 V N 0.931 120.821 119.914 -0.041 0.000 2.656 175 V HA 0.205 4.325 4.120 -0.000 0.000 0.307 175 V C 0.507 176.589 176.094 -0.020 0.000 1.051 175 V CA -0.885 61.389 62.300 -0.044 0.000 0.893 175 V CB 2.340 34.134 31.823 -0.050 0.000 0.999 175 V HN 0.166 nan 8.190 nan 0.000 0.426 176 E N 3.039 123.221 120.200 -0.030 0.000 2.299 176 E HA 0.209 4.559 4.350 -0.000 0.000 0.272 176 E C -1.080 175.507 176.600 -0.022 0.000 1.043 176 E CA -0.543 55.845 56.400 -0.020 0.000 0.895 176 E CB 1.039 30.724 29.700 -0.026 0.000 1.011 176 E HN 0.500 nan 8.360 nan 0.000 0.432 177 L N 6.145 127.358 121.223 -0.018 0.000 2.255 177 L HA 0.256 4.596 4.340 -0.000 0.000 0.289 177 L C -0.479 176.358 176.870 -0.055 0.000 1.046 177 L CA -0.061 54.754 54.840 -0.043 0.000 0.816 177 L CB 0.610 42.616 42.059 -0.088 0.000 1.197 177 L HN 0.442 nan 8.230 nan 0.000 0.427 178 R N 4.567 125.029 120.500 -0.063 0.000 2.287 178 R HA 0.215 4.555 4.340 -0.000 0.000 0.327 178 R C -0.522 175.735 176.300 -0.071 0.000 1.109 178 R CA -0.183 55.883 56.100 -0.058 0.000 1.013 178 R CB 0.501 30.766 30.300 -0.058 0.000 1.126 178 R HN 0.593 nan 8.270 nan 0.000 0.503 179 E N 4.138 124.303 120.200 -0.058 0.000 2.046 179 E HA 0.109 4.459 4.350 -0.000 0.000 0.279 179 E C -0.539 176.037 176.600 -0.041 0.000 0.989 179 E CA -0.955 55.412 56.400 -0.056 0.000 0.798 179 E CB 0.611 30.289 29.700 -0.037 0.000 1.086 179 E HN 0.299 nan 8.360 nan 0.000 0.399 180 I N 8.087 128.628 120.570 -0.048 0.000 2.662 180 I HA 0.027 4.197 4.170 -0.000 0.000 0.285 180 I C -1.761 174.327 176.117 -0.049 0.000 1.161 180 I CA -1.683 59.589 61.300 -0.047 0.000 1.415 180 I CB -0.045 37.927 38.000 -0.046 0.000 1.385 180 I HN 0.455 nan 8.210 nan 0.000 0.552 181 P HA 0.112 nan 4.420 nan 0.000 0.272 181 P C -0.503 176.745 177.300 -0.086 0.000 1.223 181 P CA -0.481 62.584 63.100 -0.059 0.000 0.784 181 P CB 0.729 32.401 31.700 -0.047 0.000 0.923 182 M N 2.447 121.992 119.600 -0.092 0.000 2.233 182 M HA 0.244 4.724 4.480 -0.000 0.000 0.350 182 M C 0.936 177.176 176.300 -0.101 0.000 1.176 182 M CA 0.273 55.507 55.300 -0.110 0.000 1.150 182 M CB 0.590 33.136 32.600 -0.090 0.000 1.530 182 M HN 0.364 nan 8.290 nan 0.000 0.459 183 R N 2.247 122.671 120.500 -0.125 0.000 2.698 183 R HA 0.646 4.986 4.340 -0.000 0.000 0.275 183 R C -3.158 173.088 176.300 -0.090 0.000 1.001 183 R CA -2.149 53.895 56.100 -0.094 0.000 0.896 183 R CB 0.511 30.755 30.300 -0.093 0.000 1.218 183 R HN 0.247 nan 8.270 nan 0.000 0.462 184 P HA -0.062 nan 4.420 nan 0.000 0.259 184 P C 0.661 177.937 177.300 -0.040 0.000 1.163 184 P CA 2.165 65.244 63.100 -0.036 0.000 0.760 184 P CB 0.472 32.158 31.700 -0.023 0.000 0.762 185 G N 2.508 111.295 108.800 -0.022 0.000 2.241 185 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 185 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 185 G C 0.218 175.095 174.900 -0.037 0.000 0.998 185 G CA 0.189 45.287 45.100 -0.004 0.000 0.621 185 G HN 0.630 nan 8.290 nan 0.000 0.519 186 Q N 0.077 119.778 119.800 -0.165 0.000 3.412 186 Q HA 0.535 4.875 4.340 -0.000 0.000 0.219 186 Q C -0.059 175.589 176.000 -0.587 0.000 0.913 186 Q CA -0.505 54.990 55.803 -0.513 0.000 0.722 186 Q CB 0.249 28.688 28.738 -0.499 0.000 1.385 186 Q HN 0.335 nan 8.270 nan 0.000 0.461 187 L N 5.091 126.118 121.223 -0.327 0.000 2.796 187 L HA 0.420 4.760 4.340 -0.000 0.000 0.235 187 L C -0.729 176.174 176.870 0.056 0.000 1.344 187 L CA -0.154 54.630 54.840 -0.094 0.000 1.245 187 L CB -1.086 41.020 42.059 0.077 0.000 1.556 187 L HN 0.421 nan 8.230 nan 0.000 0.423 188 F N -2.110 117.853 119.950 0.022 0.000 2.978 188 F HA 0.379 4.906 4.527 -0.000 0.000 0.324 188 F C -0.830 174.977 175.800 0.012 0.000 1.157 188 F CA -1.501 56.511 58.000 0.022 0.000 0.879 188 F CB 1.297 40.323 39.000 0.043 0.000 1.364 188 F HN -0.133 nan 8.300 nan 0.000 0.465 189 M N 2.808 122.594 119.600 0.310 0.000 2.105 189 M HA 0.323 4.803 4.480 -0.000 0.000 0.350 189 M C -1.240 175.244 176.300 0.306 0.000 1.308 189 M CA -0.159 55.245 55.300 0.174 0.000 1.108 189 M CB 0.252 32.902 32.600 0.084 0.000 1.622 189 M HN 0.746 nan 8.290 nan 0.000 0.468 190 D N 5.197 125.710 120.400 0.188 0.000 2.294 190 D HA 0.450 5.090 4.640 -0.000 0.000 0.250 190 D C -2.388 173.976 176.300 0.106 0.000 1.058 190 D CA -1.607 52.525 54.000 0.220 0.000 0.950 190 D CB 0.736 41.626 40.800 0.149 0.000 1.158 190 D HN 0.263 nan 8.370 nan 0.000 0.453 191 P HA -0.246 nan 4.420 nan 0.000 0.213 191 P C 1.231 178.540 177.300 0.016 0.000 1.170 191 P CA 1.503 64.630 63.100 0.046 0.000 0.902 191 P CB 0.103 31.836 31.700 0.056 0.000 0.789 192 K N -0.119 120.298 120.400 0.028 0.000 1.987 192 K HA -0.206 4.114 4.320 -0.000 0.000 0.216 192 K C 2.208 178.805 176.600 -0.005 0.000 1.051 192 K CA 1.783 58.079 56.287 0.015 0.000 0.942 192 K CB -0.291 32.223 32.500 0.022 0.000 0.722 192 K HN -0.105 nan 8.250 nan 0.000 0.444 193 R N 0.175 120.670 120.500 -0.008 0.000 2.193 193 R HA -0.135 4.205 4.340 -0.000 0.000 0.229 193 R C 2.383 178.657 176.300 -0.044 0.000 1.110 193 R CA 1.499 57.584 56.100 -0.024 0.000 0.988 193 R CB -0.263 30.018 30.300 -0.031 0.000 0.871 193 R HN 0.474 nan 8.270 nan 0.000 0.458 194 M N 0.570 120.140 119.600 -0.050 0.000 2.064 194 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 194 M C 1.854 178.061 176.300 -0.155 0.000 1.073 194 M CA 1.676 56.921 55.300 -0.090 0.000 1.124 194 M CB 0.024 32.575 32.600 -0.083 0.000 1.326 194 M HN 0.006 nan 8.290 nan 0.000 0.410 195 I N 1.295 121.761 120.570 -0.173 0.000 2.194 195 I HA -0.291 3.879 4.170 -0.000 0.000 0.246 195 I C 2.040 178.057 176.117 -0.166 0.000 1.093 195 I CA 1.751 62.880 61.300 -0.286 0.000 1.355 195 I CB -1.548 36.362 38.000 -0.150 0.000 1.046 195 I HN 0.465 nan 8.210 nan 0.000 0.413 196 E N 0.399 120.563 120.200 -0.061 0.000 2.396 196 E HA -0.134 4.216 4.350 -0.000 0.000 0.200 196 E C 1.802 178.388 176.600 -0.022 0.000 1.023 196 E CA 0.963 57.357 56.400 -0.010 0.000 0.857 196 E CB -0.021 29.677 29.700 -0.002 0.000 0.775 196 E HN 0.504 nan 8.360 nan 0.000 0.525 197 A N -0.008 122.770 122.820 -0.070 0.000 2.343 197 A HA 0.115 4.435 4.320 -0.000 0.000 0.223 197 A C 0.785 178.323 177.584 -0.076 0.000 1.214 197 A CA -0.296 51.704 52.037 -0.061 0.000 0.900 197 A CB 0.394 19.351 19.000 -0.071 0.000 0.942 197 A HN 0.163 nan 8.150 nan 0.000 0.507 198 C N 1.621 120.834 119.300 -0.146 0.000 2.466 198 C HA 0.645 5.105 4.460 -0.000 0.000 0.379 198 C C 0.012 175.055 174.990 0.089 0.000 1.251 198 C CA -0.319 58.610 59.018 -0.148 0.000 2.263 198 C CB 0.397 27.835 27.740 -0.504 0.000 2.511 198 C HN 0.763 nan 8.230 nan 0.000 0.573 199 D N -0.575 119.916 120.400 0.152 0.000 2.825 199 D HA 0.204 4.844 4.640 -0.000 0.000 0.327 199 D C 0.372 176.813 176.300 0.234 0.000 1.277 199 D CA -0.708 53.432 54.000 0.234 0.000 0.950 199 D CB 0.177 41.068 40.800 0.150 0.000 1.438 199 D HN 0.560 nan 8.370 nan 0.000 0.526 200 E N -0.584 119.745 120.200 0.215 0.000 2.265 200 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 200 E C 0.735 177.568 176.600 0.388 0.000 0.996 200 E CA 0.820 57.368 56.400 0.247 0.000 0.832 200 E CB -0.449 29.355 29.700 0.174 0.000 0.756 200 E HN 0.260 nan 8.360 nan 0.000 0.491 201 N N 0.632 119.515 118.700 0.305 0.000 2.398 201 N HA -0.001 4.739 4.740 -0.000 0.000 0.188 201 N C -0.277 175.175 175.510 -0.098 0.000 1.122 201 N CA 0.425 53.664 53.050 0.315 0.000 0.866 201 N CB 0.444 39.041 38.487 0.182 0.000 0.970 201 N HN 0.059 nan 8.380 nan 0.000 0.462 202 T N 1.983 116.523 114.554 -0.023 0.000 2.752 202 T HA 0.132 4.482 4.350 -0.000 0.000 0.295 202 T C 1.881 176.432 174.700 -0.250 0.000 0.923 202 T CA -0.273 61.737 62.100 -0.150 0.000 1.112 202 T CB 0.608 69.449 68.868 -0.045 0.000 0.884 202 T HN 0.225 nan 8.240 nan 0.000 0.525 203 I N 1.210 121.511 120.570 -0.448 0.000 2.761 203 I HA 0.396 4.565 4.170 -0.000 0.000 0.261 203 I C 0.887 176.985 176.117 -0.032 0.000 1.198 203 I CA 0.236 61.332 61.300 -0.339 0.000 1.482 203 I CB -0.014 37.785 38.000 -0.335 0.000 1.100 203 I HN 0.660 nan 8.210 nan 0.000 0.445 204 G N 0.157 108.921 108.800 -0.059 0.000 2.316 204 G HA2 0.410 4.370 3.960 -0.000 0.000 0.296 204 G HA3 0.410 4.370 3.960 -0.000 0.000 0.296 204 G C -1.790 173.057 174.900 -0.089 0.000 1.399 204 G CA -0.428 44.657 45.100 -0.026 0.000 0.833 204 G HN -0.060 nan 8.290 nan 0.000 0.565 205 V N -0.143 119.715 119.914 -0.093 0.000 2.555 205 V HA 0.642 4.762 4.120 -0.000 0.000 0.302 205 V C -0.216 175.773 176.094 -0.176 0.000 1.038 205 V CA -0.700 61.515 62.300 -0.142 0.000 0.887 205 V CB 1.766 33.515 31.823 -0.123 0.000 0.991 205 V HN 0.721 nan 8.190 nan 0.000 0.434 206 V N 7.313 127.063 119.914 -0.274 0.000 2.284 206 V HA 0.359 4.479 4.120 -0.000 0.000 0.274 206 V C -2.440 173.491 176.094 -0.272 0.000 1.023 206 V CA -1.644 60.441 62.300 -0.358 0.000 0.808 206 V CB 1.455 32.806 31.823 -0.786 0.000 1.035 206 V HN 0.737 nan 8.190 nan 0.000 0.445 207 P HA 0.354 nan 4.420 nan 0.000 0.281 207 P C -0.358 176.889 177.300 -0.088 0.000 1.249 207 P CA -0.215 62.823 63.100 -0.104 0.000 0.810 207 P CB 0.697 32.353 31.700 -0.073 0.000 1.008 208 T N 2.152 116.690 114.554 -0.027 0.000 2.929 208 T HA 0.258 4.607 4.350 -0.000 0.000 0.331 208 T C -0.255 174.474 174.700 0.049 0.000 1.120 208 T CA -0.149 61.961 62.100 0.017 0.000 0.973 208 T CB -0.601 68.297 68.868 0.050 0.000 1.036 208 T HN 0.152 nan 8.240 nan 0.000 0.502 209 F N 3.651 123.488 119.950 -0.188 0.000 2.678 209 F HA 0.470 4.997 4.527 -0.000 0.000 0.358 209 F C 1.117 176.869 175.800 -0.080 0.000 1.256 209 F CA -0.692 57.131 58.000 -0.295 0.000 1.278 209 F CB -0.778 37.847 39.000 -0.625 0.000 1.681 209 F HN 0.843 nan 8.300 nan 0.000 0.661 210 G N 3.002 111.760 108.800 -0.070 0.000 2.445 210 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.233 210 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.233 210 G C -1.057 173.839 174.900 -0.006 0.000 1.308 210 G CA -0.752 44.302 45.100 -0.077 0.000 1.179 210 G HN 0.341 nan 8.290 nan 0.000 0.637 211 V N 1.962 121.886 119.914 0.017 0.000 2.540 211 V HA 0.185 4.305 4.120 -0.000 0.000 0.297 211 V C 2.177 178.323 176.094 0.086 0.000 1.024 211 V CA 1.144 63.502 62.300 0.097 0.000 1.105 211 V CB 0.708 32.632 31.823 0.169 0.000 0.938 211 V HN 0.862 nan 8.190 nan 0.000 0.482 212 T N 3.484 118.014 114.554 -0.039 0.000 2.622 212 T HA -0.244 4.106 4.350 -0.000 0.000 0.266 212 T C 1.487 176.137 174.700 -0.082 0.000 1.047 212 T CA 1.947 63.882 62.100 -0.275 0.000 1.159 212 T CB -0.572 67.880 68.868 -0.694 0.000 0.863 212 T HN 0.628 nan 8.240 nan 0.000 0.422 213 Y N 2.737 123.086 120.300 0.082 0.000 2.193 213 Y HA -0.119 4.431 4.550 -0.000 0.000 0.285 213 Y C 3.065 179.137 175.900 0.286 0.000 1.166 213 Y CA 1.301 59.522 58.100 0.201 0.000 1.181 213 Y CB -1.252 37.313 38.460 0.175 0.000 0.976 213 Y HN 0.524 nan 8.280 nan 0.000 0.520 214 T N -6.079 108.675 114.554 0.334 0.000 2.955 214 T HA 0.470 4.820 4.350 -0.000 0.000 0.251 214 T C 1.783 176.574 174.700 0.152 0.000 1.002 214 T CA 0.405 62.639 62.100 0.224 0.000 0.970 214 T CB 0.312 69.293 68.868 0.189 0.000 1.091 214 T HN 0.450 nan 8.240 nan 0.000 0.495 215 G N 1.844 110.730 108.800 0.143 0.000 2.176 215 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 215 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 215 G C -0.112 174.722 174.900 -0.110 0.000 0.979 215 G CA -0.083 45.055 45.100 0.063 0.000 0.641 215 G HN 0.614 nan 8.290 nan 0.000 0.530 216 N N -0.277 118.373 118.700 -0.083 0.000 2.489 216 N HA 0.560 5.300 4.740 -0.000 0.000 0.284 216 N C -0.287 175.066 175.510 -0.262 0.000 1.158 216 N CA -0.339 52.592 53.050 -0.197 0.000 0.965 216 N CB 0.590 39.045 38.487 -0.053 0.000 1.195 216 N HN 0.074 nan 8.380 nan 0.000 0.506 217 Y N 0.452 120.505 120.300 -0.411 0.000 2.301 217 Y HA 0.137 4.687 4.550 -0.000 0.000 0.328 217 Y C 0.953 176.477 175.900 -0.627 0.000 1.242 217 Y CA -0.352 57.341 58.100 -0.678 0.000 1.323 217 Y CB 0.526 38.328 38.460 -1.096 0.000 1.266 217 Y HN 0.414 nan 8.280 nan 0.000 0.527 218 E N 2.580 122.633 120.200 -0.245 0.000 2.173 218 E HA 0.281 4.631 4.350 -0.000 0.000 0.249 218 E C -1.424 175.085 176.600 -0.151 0.000 0.923 218 E CA -0.554 55.739 56.400 -0.179 0.000 0.754 218 E CB 0.027 29.715 29.700 -0.019 0.000 1.177 218 E HN 0.381 nan 8.360 nan 0.000 0.430 219 F N 4.480 124.452 119.950 0.037 0.000 2.571 219 F HA 0.060 4.587 4.527 -0.000 0.000 0.390 219 F C -1.451 174.347 175.800 -0.003 0.000 1.043 219 F CA -1.484 56.537 58.000 0.034 0.000 1.164 219 F CB 0.355 39.356 39.000 0.002 0.000 1.049 219 F HN 0.500 nan 8.300 nan 0.000 0.552 220 P HA -0.181 nan 4.420 nan 0.000 0.220 220 P C 1.609 178.956 177.300 0.079 0.000 1.152 220 P CA 0.840 63.967 63.100 0.044 0.000 0.812 220 P CB 0.133 31.805 31.700 -0.046 0.000 0.792 221 Q N 0.629 120.472 119.800 0.072 0.000 1.998 221 Q HA -0.192 4.148 4.340 -0.000 0.000 0.209 221 Q C -0.728 175.317 176.000 0.076 0.000 1.002 221 Q CA 3.225 59.048 55.803 0.035 0.000 0.858 221 Q CB -1.942 26.797 28.738 0.002 0.000 0.932 221 Q HN 0.170 nan 8.270 nan 0.000 0.416 222 P HA -0.155 nan 4.420 nan 0.000 0.215 222 P C 0.992 178.340 177.300 0.080 0.000 1.153 222 P CA 1.356 64.498 63.100 0.070 0.000 0.853 222 P CB -0.091 31.651 31.700 0.069 0.000 0.788 223 L N -1.977 119.297 121.223 0.084 0.000 2.141 223 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 223 L C 2.733 179.635 176.870 0.053 0.000 1.094 223 L CA 1.285 56.157 54.840 0.053 0.000 0.763 223 L CB -1.077 41.004 42.059 0.036 0.000 0.908 223 L HN 0.168 nan 8.230 nan 0.000 0.437 224 H N 0.675 119.741 119.070 -0.007 0.000 2.321 224 H HA -0.174 4.382 4.556 -0.000 0.000 0.300 224 H C 1.647 176.980 175.328 0.008 0.000 1.087 224 H CA 1.962 58.004 56.048 -0.009 0.000 1.319 224 H CB 0.164 29.912 29.762 -0.023 0.000 1.379 224 H HN 0.329 nan 8.280 nan 0.000 0.501 225 D N 0.687 121.198 120.400 0.186 0.000 2.104 225 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 225 D C 2.273 178.613 176.300 0.067 0.000 0.994 225 D CA 1.326 55.401 54.000 0.125 0.000 0.830 225 D CB -0.628 40.226 40.800 0.090 0.000 0.959 225 D HN 0.455 nan 8.370 nan 0.000 0.452 226 A N 0.903 123.754 122.820 0.051 0.000 1.917 226 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 226 A C 2.433 180.043 177.584 0.044 0.000 1.182 226 A CA 1.119 53.181 52.037 0.042 0.000 0.633 226 A CB -0.843 18.167 19.000 0.016 0.000 0.819 226 A HN 0.232 nan 8.150 nan 0.000 0.448 227 L N -0.799 120.415 121.223 -0.016 0.000 2.141 227 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 227 L C 2.006 178.901 176.870 0.042 0.000 1.094 227 L CA 1.109 55.940 54.840 -0.014 0.000 0.763 227 L CB -0.589 41.393 42.059 -0.127 0.000 0.908 227 L HN 0.333 nan 8.230 nan 0.000 0.437 228 D N 0.328 120.723 120.400 -0.008 0.000 2.097 228 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 228 D C 2.085 178.424 176.300 0.066 0.000 0.984 228 D CA 1.223 55.235 54.000 0.020 0.000 0.826 228 D CB 0.076 40.902 40.800 0.043 0.000 0.973 228 D HN 0.236 nan 8.370 nan 0.000 0.460 229 K N -0.046 120.404 120.400 0.084 0.000 2.002 229 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 229 K C 2.175 178.847 176.600 0.119 0.000 1.048 229 K CA 0.793 57.132 56.287 0.087 0.000 0.930 229 K CB -0.398 32.156 32.500 0.089 0.000 0.714 229 K HN -0.046 nan 8.250 nan 0.000 0.438 230 F N 2.321 122.269 119.950 -0.005 0.000 2.115 230 F HA -0.312 4.215 4.527 -0.000 0.000 0.300 230 F C 2.515 178.315 175.800 0.001 0.000 1.092 230 F CA 2.354 60.353 58.000 -0.002 0.000 1.245 230 F CB -0.401 38.595 39.000 -0.006 0.000 0.995 230 F HN 0.280 nan 8.300 nan 0.000 0.481 231 Q N -0.266 119.587 119.800 0.088 0.000 2.123 231 Q HA -0.116 4.223 4.340 -0.000 0.000 0.199 231 Q C 2.236 178.203 176.000 -0.056 0.000 0.966 231 Q CA 1.253 57.049 55.803 -0.012 0.000 0.845 231 Q CB -0.326 28.439 28.738 0.046 0.000 0.907 231 Q HN 0.444 nan 8.270 nan 0.000 0.439 232 A N 0.807 123.613 122.820 -0.023 0.000 2.019 232 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 232 A C 1.371 178.920 177.584 -0.058 0.000 1.164 232 A CA 1.704 53.725 52.037 -0.026 0.000 0.644 232 A CB -0.230 18.770 19.000 -0.001 0.000 0.805 232 A HN 0.484 nan 8.150 nan 0.000 0.449 233 D N -1.506 118.834 120.400 -0.100 0.000 2.301 233 D HA -0.015 4.625 4.640 -0.000 0.000 0.206 233 D C 1.767 177.950 176.300 -0.194 0.000 0.979 233 D CA 1.736 55.661 54.000 -0.125 0.000 0.874 233 D CB -0.015 40.718 40.800 -0.110 0.000 0.968 233 D HN 0.623 nan 8.370 nan 0.000 0.510 234 T N -4.283 110.090 114.554 -0.303 0.000 2.975 234 T HA 0.371 4.721 4.350 -0.000 0.000 0.261 234 T C 1.665 176.246 174.700 -0.199 0.000 0.984 234 T CA 0.662 62.572 62.100 -0.316 0.000 0.911 234 T CB 1.033 69.538 68.868 -0.606 0.000 1.127 234 T HN 0.124 nan 8.240 nan 0.000 0.514 235 G N 1.971 110.679 108.800 -0.154 0.000 2.184 235 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 235 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 235 G C 0.025 174.899 174.900 -0.043 0.000 0.975 235 G CA 0.209 45.265 45.100 -0.074 0.000 0.642 235 G HN 0.692 nan 8.290 nan 0.000 0.536 236 I N 1.690 122.217 120.570 -0.071 0.000 2.322 236 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 236 I C -0.098 176.096 176.117 0.128 0.000 1.060 236 I CA -0.501 60.827 61.300 0.046 0.000 1.309 236 I CB 1.033 39.092 38.000 0.098 0.000 1.415 236 I HN 0.018 nan 8.210 nan 0.000 0.492 237 D N 8.746 129.216 120.400 0.116 0.000 2.347 237 D HA 0.338 4.978 4.640 -0.000 0.000 0.235 237 D C -0.476 175.907 176.300 0.137 0.000 1.149 237 D CA -0.184 53.883 54.000 0.112 0.000 0.850 237 D CB 0.829 41.678 40.800 0.082 0.000 1.061 237 D HN 0.355 nan 8.370 nan 0.000 0.487 238 I N 3.406 124.051 120.570 0.125 0.000 2.377 238 I HA 0.177 4.347 4.170 -0.000 0.000 0.293 238 I C 0.385 176.530 176.117 0.046 0.000 0.987 238 I CA -0.846 60.511 61.300 0.095 0.000 1.185 238 I CB 1.647 39.681 38.000 0.056 0.000 1.341 238 I HN 0.190 nan 8.210 nan 0.000 0.455 239 D N 6.605 127.048 120.400 0.071 0.000 2.332 239 D HA 0.548 5.188 4.640 -0.000 0.000 0.252 239 D C -0.340 175.985 176.300 0.042 0.000 1.050 239 D CA -0.297 53.746 54.000 0.072 0.000 0.970 239 D CB 1.942 42.821 40.800 0.132 0.000 1.141 239 D HN 0.287 nan 8.370 nan 0.000 0.485 240 M N 0.209 119.837 119.600 0.046 0.000 2.602 240 M HA 0.256 4.736 4.480 -0.000 0.000 0.312 240 M C -0.982 175.345 176.300 0.044 0.000 1.181 240 M CA -0.708 54.598 55.300 0.010 0.000 0.910 240 M CB 2.364 34.952 32.600 -0.021 0.000 1.723 240 M HN 0.355 nan 8.290 nan 0.000 0.459 241 H N 2.364 121.385 119.070 -0.082 0.000 2.906 241 H HA 0.453 5.009 4.556 -0.000 0.000 0.324 241 H C -1.536 173.719 175.328 -0.123 0.000 0.973 241 H CA -0.595 55.405 56.048 -0.080 0.000 1.321 241 H CB 0.862 30.602 29.762 -0.037 0.000 1.535 241 H HN 0.453 nan 8.280 nan 0.000 0.518 242 I N 3.732 123.872 120.570 -0.717 0.000 2.441 242 I HA 0.096 4.266 4.170 -0.000 0.000 0.287 242 I C 0.411 176.217 176.117 -0.519 0.000 1.049 242 I CA -0.235 60.765 61.300 -0.499 0.000 1.381 242 I CB 0.871 38.645 38.000 -0.377 0.000 1.409 242 I HN 0.719 nan 8.210 nan 0.000 0.523 243 D N 6.217 126.503 120.400 -0.190 0.000 2.499 243 D HA 0.397 5.037 4.640 -0.000 0.000 0.225 243 D C 0.256 176.558 176.300 0.004 0.000 1.124 243 D CA -0.323 53.699 54.000 0.036 0.000 0.938 243 D CB 0.807 41.750 40.800 0.237 0.000 1.014 243 D HN 0.605 nan 8.370 nan 0.000 0.517 244 A N 2.986 125.769 122.820 -0.063 0.000 2.833 244 A HA 0.516 4.836 4.320 -0.000 0.000 0.293 244 A C 1.788 179.413 177.584 0.068 0.000 1.338 244 A CA 0.288 52.280 52.037 -0.076 0.000 0.959 244 A CB -0.123 18.684 19.000 -0.321 0.000 1.094 244 A HN 0.523 nan 8.150 nan 0.000 0.569 245 A N 0.125 123.026 122.820 0.135 0.000 1.915 245 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 245 A C 2.377 180.156 177.584 0.325 0.000 1.198 245 A CA 2.736 54.907 52.037 0.223 0.000 0.647 245 A CB -0.530 18.561 19.000 0.151 0.000 0.825 245 A HN 0.529 nan 8.150 nan 0.000 0.456 246 S N -1.273 114.586 115.700 0.266 0.000 2.357 246 S HA 0.206 4.676 4.470 -0.000 0.000 0.209 246 S C 2.207 176.949 174.600 0.237 0.000 1.023 246 S CA 0.519 58.964 58.200 0.408 0.000 0.933 246 S CB -1.148 62.261 63.200 0.348 0.000 0.897 246 S HN 0.756 nan 8.310 nan 0.000 0.529 247 G N 1.667 110.456 108.800 -0.018 0.000 2.503 247 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.221 247 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.221 247 G C 1.469 176.269 174.900 -0.166 0.000 1.131 247 G CA 1.250 46.197 45.100 -0.255 0.000 0.756 247 G HN 0.576 nan 8.290 nan 0.000 0.572 248 G N 0.095 108.819 108.800 -0.127 0.000 2.545 248 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.222 248 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.222 248 G C 1.058 175.968 174.900 0.017 0.000 1.126 248 G CA 0.822 45.873 45.100 -0.082 0.000 0.754 248 G HN 0.416 nan 8.290 nan 0.000 0.583 249 F N -0.385 119.824 119.950 0.432 0.000 2.791 249 F HA 0.519 5.046 4.527 -0.000 0.000 0.308 249 F C 1.398 177.517 175.800 0.530 0.000 1.138 249 F CA -0.363 57.941 58.000 0.507 0.000 1.294 249 F CB 0.509 39.891 39.000 0.635 0.000 0.975 249 F HN -0.007 nan 8.300 nan 0.000 0.512 250 L N -1.453 120.002 121.223 0.388 0.000 2.862 250 L HA 0.292 4.632 4.340 -0.000 0.000 0.169 250 L C 2.463 179.510 176.870 0.295 0.000 1.164 250 L CA 0.773 55.831 54.840 0.363 0.000 0.858 250 L CB -0.901 41.235 42.059 0.128 0.000 1.329 250 L HN 0.022 nan 8.230 nan 0.000 0.514 251 A N 1.211 124.124 122.820 0.155 0.000 1.884 251 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 251 A C -0.390 177.280 177.584 0.143 0.000 1.197 251 A CA 2.387 54.513 52.037 0.147 0.000 0.637 251 A CB -2.118 16.921 19.000 0.065 0.000 0.827 251 A HN 0.281 nan 8.150 nan 0.000 0.450 252 P HA -0.168 nan 4.420 nan 0.000 0.218 252 P C 0.702 177.839 177.300 -0.271 0.000 1.147 252 P CA 1.401 64.382 63.100 -0.198 0.000 0.827 252 P CB -0.128 31.252 31.700 -0.534 0.000 0.778 253 F N -2.252 117.818 119.950 0.199 0.000 2.559 253 F HA 0.071 4.598 4.527 -0.000 0.000 0.286 253 F C 1.933 177.825 175.800 0.154 0.000 1.108 253 F CA 0.447 58.554 58.000 0.178 0.000 1.436 253 F CB -0.896 38.245 39.000 0.236 0.000 1.130 253 F HN -0.236 nan 8.300 nan 0.000 0.584 254 V N -3.248 116.855 119.914 0.315 0.000 3.477 254 V HA 0.714 4.834 4.120 -0.000 0.000 0.297 254 V C 0.515 176.661 176.094 0.086 0.000 1.433 254 V CA 0.415 62.817 62.300 0.170 0.000 1.052 254 V CB -0.051 31.833 31.823 0.102 0.000 0.895 254 V HN 0.102 nan 8.190 nan 0.000 0.438 255 A N 1.311 124.207 122.820 0.128 0.000 3.448 255 A HA 0.586 4.906 4.320 -0.000 0.000 0.232 255 A C -1.273 176.404 177.584 0.154 0.000 1.018 255 A CA -0.124 51.988 52.037 0.124 0.000 0.996 255 A CB 0.173 19.267 19.000 0.156 0.000 1.283 255 A HN 0.279 nan 8.150 nan 0.000 0.586 256 P HA -0.158 nan 4.420 nan 0.000 0.223 256 P C 0.224 177.593 177.300 0.114 0.000 1.144 256 P CA 1.158 64.337 63.100 0.133 0.000 0.783 256 P CB 0.340 32.104 31.700 0.107 0.000 0.771 257 D N -0.297 120.158 120.400 0.092 0.000 2.348 257 D HA 0.105 4.745 4.640 -0.000 0.000 0.211 257 D C 1.023 177.364 176.300 0.068 0.000 0.998 257 D CA 0.108 54.141 54.000 0.054 0.000 0.873 257 D CB 0.044 40.862 40.800 0.030 0.000 0.925 257 D HN 0.286 nan 8.370 nan 0.000 0.524 258 I N 1.968 122.626 120.570 0.146 0.000 2.505 258 I HA -0.050 4.120 4.170 -0.000 0.000 0.287 258 I C 0.136 176.362 176.117 0.182 0.000 1.104 258 I CA -0.179 61.245 61.300 0.206 0.000 1.387 258 I CB 1.022 39.231 38.000 0.348 0.000 1.404 258 I HN -0.348 nan 8.210 nan 0.000 0.528 259 V N 8.200 128.148 119.914 0.056 0.000 2.372 259 V HA 0.071 4.191 4.120 -0.000 0.000 0.261 259 V C 0.540 176.571 176.094 -0.106 0.000 1.055 259 V CA -0.016 62.228 62.300 -0.094 0.000 0.930 259 V CB -0.055 31.689 31.823 -0.132 0.000 1.031 259 V HN 0.976 nan 8.190 nan 0.000 0.479 260 W N 3.508 124.557 121.300 -0.417 0.000 2.120 260 W HA 0.209 4.869 4.660 -0.000 0.000 0.227 260 W C 0.038 176.169 176.519 -0.647 0.000 0.910 260 W CA 0.275 57.241 57.345 -0.633 0.000 1.111 260 W CB -0.242 28.466 29.460 -1.253 0.000 0.887 260 W HN 0.618 nan 8.180 nan 0.000 0.598 261 D N 1.276 120.680 120.400 -1.659 0.000 2.360 261 D HA 0.112 4.752 4.640 -0.000 0.000 0.289 261 D C 0.912 176.714 176.300 -0.830 0.000 1.183 261 D CA -0.234 52.785 54.000 -1.636 0.000 1.082 261 D CB -0.597 39.141 40.800 -1.771 0.000 1.146 261 D HN -0.219 nan 8.370 nan 0.000 0.545 262 F N -0.469 119.209 119.950 -0.454 0.000 2.722 262 F HA 0.114 4.641 4.527 -0.000 0.000 0.298 262 F C 2.287 177.964 175.800 -0.205 0.000 1.175 262 F CA 0.368 58.230 58.000 -0.229 0.000 1.462 262 F CB -0.486 38.451 39.000 -0.106 0.000 1.111 262 F HN 0.038 nan 8.300 nan 0.000 0.592 263 R N -0.198 120.212 120.500 -0.150 0.000 2.237 263 R HA -0.000 4.340 4.340 -0.000 0.000 0.219 263 R C 0.326 176.503 176.300 -0.204 0.000 1.080 263 R CA 0.475 56.459 56.100 -0.193 0.000 0.995 263 R CB -0.177 29.937 30.300 -0.310 0.000 0.875 263 R HN 0.224 nan 8.270 nan 0.000 0.462 264 L N 1.369 122.444 121.223 -0.247 0.000 2.265 264 L HA 0.203 4.543 4.340 -0.000 0.000 0.288 264 L C -1.674 175.161 176.870 -0.059 0.000 1.058 264 L CA -2.092 52.541 54.840 -0.346 0.000 0.809 264 L CB 1.459 43.245 42.059 -0.454 0.000 1.179 264 L HN -0.199 nan 8.230 nan 0.000 0.429 265 P HA -0.147 nan 4.420 nan 0.000 0.216 265 P C 1.162 178.617 177.300 0.258 0.000 1.153 265 P CA 1.405 64.620 63.100 0.191 0.000 0.858 265 P CB 0.157 31.973 31.700 0.195 0.000 0.789 266 R N -0.908 119.849 120.500 0.428 0.000 2.280 266 R HA 0.045 4.385 4.340 -0.000 0.000 0.207 266 R C 0.102 176.494 176.300 0.152 0.000 1.043 266 R CA 0.203 56.404 56.100 0.167 0.000 1.006 266 R CB -0.422 29.813 30.300 -0.109 0.000 0.885 266 R HN 0.094 nan 8.270 nan 0.000 0.467 267 V N 2.731 122.742 119.914 0.161 0.000 2.397 267 V HA 0.012 4.132 4.120 -0.000 0.000 0.262 267 V C 0.833 177.065 176.094 0.229 0.000 1.047 267 V CA 0.384 62.727 62.300 0.072 0.000 1.003 267 V CB 1.099 32.839 31.823 -0.137 0.000 1.037 267 V HN 0.124 nan 8.190 nan 0.000 0.480 268 K N 2.479 123.028 120.400 0.247 0.000 2.334 268 K HA 0.189 4.509 4.320 -0.000 0.000 0.195 268 K C 0.585 177.465 176.600 0.466 0.000 1.045 268 K CA 0.387 56.893 56.287 0.365 0.000 1.004 268 K CB 0.579 33.271 32.500 0.321 0.000 0.837 268 K HN 0.751 nan 8.250 nan 0.000 0.510 269 S N 0.018 115.902 115.700 0.307 0.000 2.537 269 S HA 0.664 5.134 4.470 -0.000 0.000 0.270 269 S C -0.541 173.983 174.600 -0.127 0.000 1.142 269 S CA -0.983 57.310 58.200 0.156 0.000 0.870 269 S CB 1.752 64.926 63.200 -0.043 0.000 1.112 269 S HN 0.027 nan 8.310 nan 0.000 0.466 270 I N 1.907 122.356 120.570 -0.202 0.000 2.647 270 I HA 0.678 4.848 4.170 -0.000 0.000 0.295 270 I C -0.396 175.663 176.117 -0.096 0.000 1.078 270 I CA -0.604 60.411 61.300 -0.475 0.000 1.048 270 I CB 2.576 40.042 38.000 -0.889 0.000 1.239 270 I HN 0.928 nan 8.210 nan 0.000 0.421 271 S N 3.878 119.510 115.700 -0.113 0.000 2.570 271 S HA 0.984 5.454 4.470 -0.000 0.000 0.286 271 S C -0.927 173.795 174.600 0.203 0.000 1.099 271 S CA -0.636 57.679 58.200 0.191 0.000 0.913 271 S CB 2.575 65.932 63.200 0.262 0.000 1.085 271 S HN 0.973 nan 8.310 nan 0.000 0.480 272 A N 1.131 124.203 122.820 0.420 0.000 2.604 272 A HA 0.763 5.083 4.320 -0.000 0.000 0.295 272 A C -0.698 177.183 177.584 0.494 0.000 1.067 272 A CA -0.800 51.517 52.037 0.467 0.000 0.683 272 A CB 1.287 20.668 19.000 0.635 0.000 1.281 272 A HN 0.871 nan 8.150 nan 0.000 0.407 273 S N 0.743 116.704 115.700 0.434 0.000 2.411 273 S HA 0.420 4.890 4.470 -0.000 0.000 0.294 273 S C 1.433 176.254 174.600 0.369 0.000 1.115 273 S CA 0.175 58.538 58.200 0.271 0.000 1.071 273 S CB 1.171 64.550 63.200 0.300 0.000 0.967 273 S HN 1.240 nan 8.310 nan 0.000 0.488 274 G N 1.875 110.785 108.800 0.183 0.000 2.422 274 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 274 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 274 G C 0.905 175.860 174.900 0.091 0.000 1.140 274 G CA 0.275 45.474 45.100 0.164 0.000 0.775 274 G HN 0.939 nan 8.290 nan 0.000 0.545 275 H N -0.888 118.218 119.070 0.060 0.000 2.547 275 H HA 0.398 4.954 4.556 -0.000 0.000 0.274 275 H C 1.450 176.787 175.328 0.015 0.000 1.024 275 H CA -0.043 56.012 56.048 0.011 0.000 1.155 275 H CB 0.270 30.012 29.762 -0.033 0.000 1.344 275 H HN 0.247 nan 8.280 nan 0.000 0.598 276 K N 0.494 121.076 120.400 0.304 0.000 3.038 276 K HA 0.143 4.463 4.320 -0.000 0.000 0.232 276 K C 0.442 177.008 176.600 -0.057 0.000 1.124 276 K CA -0.175 56.177 56.287 0.108 0.000 1.232 276 K CB 0.101 32.757 32.500 0.260 0.000 1.767 276 K HN 0.070 nan 8.250 nan 0.000 0.463 277 F N 1.053 121.208 119.950 0.341 0.000 2.765 277 F HA 0.173 4.700 4.527 -0.000 0.000 0.302 277 F C 1.707 177.739 175.800 0.388 0.000 1.111 277 F CA -0.010 58.198 58.000 0.346 0.000 1.359 277 F CB 0.325 39.559 39.000 0.389 0.000 1.097 277 F HN 0.332 nan 8.300 nan 0.000 0.577 278 G N -0.518 108.467 108.800 0.309 0.000 2.813 278 G HA2 0.042 4.002 3.960 -0.000 0.000 0.209 278 G HA3 0.042 4.002 3.960 -0.000 0.000 0.209 278 G C 1.140 176.133 174.900 0.155 0.000 1.150 278 G CA 0.165 45.180 45.100 -0.141 0.000 0.785 278 G HN 0.428 nan 8.290 nan 0.000 0.535 279 L N -2.017 119.302 121.223 0.161 0.000 4.496 279 L HA -0.196 4.144 4.340 -0.000 0.000 0.419 279 L C 1.096 178.014 176.870 0.079 0.000 1.139 279 L CA -0.014 54.890 54.840 0.107 0.000 0.975 279 L CB -2.256 39.823 42.059 0.034 0.000 2.099 279 L HN 0.382 nan 8.230 nan 0.000 0.818 280 A N 0.248 123.108 122.820 0.066 0.000 2.293 280 A HA 0.802 5.122 4.320 -0.000 0.000 0.302 280 A C -1.927 175.679 177.584 0.036 0.000 1.119 280 A CA -1.173 50.884 52.037 0.035 0.000 0.823 280 A CB 0.483 19.492 19.000 0.016 0.000 1.097 280 A HN 0.052 nan 8.150 nan 0.000 0.491 281 P HA 0.140 nan 4.420 nan 0.000 0.272 281 P C -0.213 177.096 177.300 0.016 0.000 1.230 281 P CA -0.195 62.880 63.100 -0.041 0.000 0.788 281 P CB 0.446 32.074 31.700 -0.121 0.000 0.949 282 L N 1.083 122.301 121.223 -0.008 0.000 2.653 282 L HA 0.030 4.370 4.340 -0.000 0.000 0.288 282 L C 1.537 178.459 176.870 0.086 0.000 1.243 282 L CA 1.651 56.499 54.840 0.013 0.000 0.906 282 L CB -0.934 41.060 42.059 -0.110 0.000 1.154 282 L HN 0.915 nan 8.230 nan 0.000 0.498 283 G N 2.186 111.177 108.800 0.319 0.000 2.186 283 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.130 283 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.130 283 G C -0.493 174.311 174.900 -0.160 0.000 1.031 283 G CA -0.299 44.827 45.100 0.044 0.000 0.697 283 G HN 0.803 nan 8.290 nan 0.000 0.494 284 C N 0.378 119.498 119.300 -0.300 0.000 2.642 284 C HA 0.924 5.384 4.460 -0.000 0.000 0.344 284 C C 0.518 175.058 174.990 -0.750 0.000 1.110 284 C CA 0.712 59.407 59.018 -0.539 0.000 1.298 284 C CB 0.808 28.330 27.740 -0.363 0.000 1.827 284 C HN 1.571 nan 8.230 nan 0.000 0.467 285 G N 3.217 111.558 108.800 -0.765 0.000 2.694 285 G HA2 0.825 4.785 3.960 -0.000 0.000 0.290 285 G HA3 0.825 4.785 3.960 -0.000 0.000 0.290 285 G C -2.130 172.353 174.900 -0.693 0.000 1.386 285 G CA -0.585 44.192 45.100 -0.540 0.000 0.872 285 G HN 0.766 nan 8.290 nan 0.000 0.475 286 W N -0.905 120.463 121.300 0.112 0.000 3.127 286 W HA 0.631 5.291 4.660 -0.000 0.000 0.330 286 W C -0.928 175.712 176.519 0.201 0.000 1.187 286 W CA -0.895 56.550 57.345 0.167 0.000 1.198 286 W CB 2.624 32.232 29.460 0.247 0.000 1.408 286 W HN 0.429 nan 8.180 nan 0.000 0.529 287 V N 5.121 125.284 119.914 0.415 0.000 2.711 287 V HA 0.605 4.725 4.120 -0.000 0.000 0.304 287 V C -1.538 174.641 176.094 0.142 0.000 1.097 287 V CA -0.753 61.663 62.300 0.193 0.000 0.906 287 V CB 1.277 33.058 31.823 -0.070 0.000 1.015 287 V HN 0.419 nan 8.190 nan 0.000 0.427 288 I N 6.017 126.691 120.570 0.173 0.000 2.509 288 I HA 0.523 4.693 4.170 -0.000 0.000 0.293 288 I C -0.581 175.640 176.117 0.173 0.000 1.020 288 I CA -0.585 60.886 61.300 0.285 0.000 1.088 288 I CB 2.083 40.409 38.000 0.542 0.000 1.267 288 I HN 0.597 nan 8.210 nan 0.000 0.430 289 W N 4.894 126.407 121.300 0.356 0.000 2.570 289 W HA 0.338 4.998 4.660 -0.000 0.000 0.337 289 W C 1.362 177.865 176.519 -0.027 0.000 1.067 289 W CA -0.591 56.916 57.345 0.270 0.000 1.229 289 W CB 1.791 31.369 29.460 0.196 0.000 1.355 289 W HN 0.619 nan 8.180 nan 0.000 0.555 290 R N 0.439 120.967 120.500 0.046 0.000 2.189 290 R HA -0.088 4.252 4.340 -0.000 0.000 0.223 290 R C -0.540 175.667 176.300 -0.154 0.000 1.092 290 R CA 1.360 57.208 56.100 -0.420 0.000 0.989 290 R CB -0.143 29.994 30.300 -0.272 0.000 0.876 290 R HN 0.432 nan 8.270 nan 0.000 0.457 291 D N -1.989 118.434 120.400 0.039 0.000 2.755 291 D HA -0.011 4.629 4.640 -0.000 0.000 0.277 291 D C -0.433 175.905 176.300 0.064 0.000 1.261 291 D CA -0.855 53.164 54.000 0.032 0.000 0.759 291 D CB 0.399 41.204 40.800 0.008 0.000 1.279 291 D HN -0.066 nan 8.370 nan 0.000 0.420 292 E N -0.893 119.324 120.200 0.028 0.000 2.331 292 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 292 E C 0.514 177.103 176.600 -0.019 0.000 1.008 292 E CA 1.131 57.529 56.400 -0.004 0.000 0.843 292 E CB 0.168 29.862 29.700 -0.010 0.000 0.761 292 E HN 0.370 nan 8.360 nan 0.000 0.507 293 E N -0.589 119.619 120.200 0.013 0.000 2.371 293 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 293 E C 1.420 178.046 176.600 0.043 0.000 1.012 293 E CA 0.703 57.115 56.400 0.020 0.000 0.860 293 E CB 0.216 29.937 29.700 0.035 0.000 0.811 293 E HN 0.222 nan 8.360 nan 0.000 0.502 294 A N 0.120 122.989 122.820 0.081 0.000 2.178 294 A HA 0.126 4.446 4.320 -0.000 0.000 0.211 294 A C 0.640 178.240 177.584 0.027 0.000 1.157 294 A CA 0.021 52.159 52.037 0.168 0.000 0.780 294 A CB 0.125 19.339 19.000 0.357 0.000 0.828 294 A HN 0.194 nan 8.150 nan 0.000 0.476 295 L N 1.052 122.143 121.223 -0.220 0.000 2.301 295 L HA 0.506 4.846 4.340 -0.000 0.000 0.278 295 L C -2.882 173.769 176.870 -0.365 0.000 1.022 295 L CA -2.419 52.083 54.840 -0.563 0.000 0.854 295 L CB 1.119 42.625 42.059 -0.922 0.000 1.226 295 L HN -0.152 nan 8.230 nan 0.000 0.429 296 P HA 0.050 nan 4.420 nan 0.000 0.261 296 P C 0.244 177.368 177.300 -0.293 0.000 1.203 296 P CA 0.036 63.028 63.100 -0.179 0.000 0.767 296 P CB 0.521 32.197 31.700 -0.040 0.000 0.785 297 Q N 2.310 121.988 119.800 -0.203 0.000 2.308 297 Q HA -0.209 4.131 4.340 -0.000 0.000 0.209 297 Q C 1.060 176.910 176.000 -0.250 0.000 0.985 297 Q CA 1.652 57.324 55.803 -0.218 0.000 0.881 297 Q CB -0.037 28.618 28.738 -0.139 0.000 0.917 297 Q HN 0.593 nan 8.270 nan 0.000 0.443 298 E N -0.169 119.908 120.200 -0.205 0.000 2.347 298 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 298 E C 1.592 177.993 176.600 -0.331 0.000 1.008 298 E CA 0.465 56.752 56.400 -0.189 0.000 0.852 298 E CB 0.051 29.768 29.700 0.029 0.000 0.783 298 E HN 0.283 nan 8.360 nan 0.000 0.505 299 L N -0.024 120.895 121.223 -0.507 0.000 2.529 299 L HA 0.119 4.459 4.340 -0.000 0.000 0.223 299 L C 0.144 176.743 176.870 -0.452 0.000 1.113 299 L CA -0.165 54.309 54.840 -0.610 0.000 0.861 299 L CB 0.532 41.933 42.059 -1.098 0.000 1.012 299 L HN -0.071 nan 8.230 nan 0.000 0.461 300 V N 0.333 119.994 119.914 -0.421 0.000 2.465 300 V HA 0.184 4.304 4.120 -0.000 0.000 0.279 300 V C -0.538 175.494 176.094 -0.104 0.000 1.045 300 V CA -0.211 61.974 62.300 -0.192 0.000 0.938 300 V CB 1.143 32.824 31.823 -0.236 0.000 0.986 300 V HN -0.057 nan 8.190 nan 0.000 0.467 301 F N 3.409 123.356 119.950 -0.005 0.000 2.347 301 F HA 0.472 4.999 4.527 -0.000 0.000 0.366 301 F C 0.548 176.368 175.800 0.033 0.000 1.107 301 F CA -0.941 57.076 58.000 0.028 0.000 1.058 301 F CB 0.948 39.995 39.000 0.077 0.000 1.236 301 F HN 0.426 nan 8.300 nan 0.000 0.456 302 N N 1.833 120.598 118.700 0.108 0.000 2.453 302 N HA 0.464 5.204 4.740 -0.000 0.000 0.253 302 N C -0.468 175.109 175.510 0.111 0.000 1.252 302 N CA -0.169 52.931 53.050 0.083 0.000 0.917 302 N CB 1.180 39.686 38.487 0.031 0.000 1.117 302 N HN 0.409 nan 8.380 nan 0.000 0.442 303 V N -2.104 117.863 119.914 0.087 0.000 3.181 303 V HA 0.561 4.681 4.120 -0.000 0.000 0.308 303 V C -1.146 174.996 176.094 0.081 0.000 1.214 303 V CA -1.075 61.274 62.300 0.083 0.000 1.053 303 V CB 2.248 34.107 31.823 0.060 0.000 1.069 303 V HN 0.366 nan 8.190 nan 0.000 0.441 304 D N 2.184 122.630 120.400 0.078 0.000 2.317 304 D HA 0.445 5.085 4.640 -0.000 0.000 0.252 304 D C -1.279 175.111 176.300 0.150 0.000 1.174 304 D CA 0.711 54.762 54.000 0.085 0.000 0.866 304 D CB 0.983 41.816 40.800 0.055 0.000 1.127 304 D HN 0.722 nan 8.370 nan 0.000 0.467 305 Y N 3.474 123.762 120.300 -0.019 0.000 2.315 305 Y HA 0.235 4.785 4.550 -0.000 0.000 0.324 305 Y C -0.757 175.130 175.900 -0.021 0.000 1.062 305 Y CA -1.381 56.702 58.100 -0.027 0.000 1.159 305 Y CB 0.491 38.931 38.460 -0.033 0.000 1.145 305 Y HN 0.150 nan 8.280 nan 0.000 0.442 306 L N 6.239 127.267 121.223 -0.325 0.000 3.889 306 L HA -0.179 4.161 4.340 -0.000 0.000 0.559 306 L C 1.210 177.938 176.870 -0.236 0.000 1.138 306 L CA 1.929 56.547 54.840 -0.370 0.000 0.801 306 L CB -1.424 40.235 42.059 -0.666 0.000 1.241 306 L HN 1.175 nan 8.230 nan 0.000 0.787 307 G N -0.819 107.907 108.800 -0.123 0.000 4.526 307 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 307 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 307 G C 0.848 175.717 174.900 -0.052 0.000 1.428 307 G CA 0.271 45.322 45.100 -0.080 0.000 0.928 307 G HN 1.226 nan 8.290 nan 0.000 0.639 308 G N -0.424 108.340 108.800 -0.059 0.000 3.086 308 G HA2 0.541 4.501 3.960 -0.000 0.000 0.159 308 G HA3 0.541 4.501 3.960 -0.000 0.000 0.159 308 G C 0.010 174.921 174.900 0.018 0.000 1.654 308 G CA 0.810 45.899 45.100 -0.018 0.000 1.078 308 G HN 0.791 nan 8.290 nan 0.000 0.558 309 Q N -0.922 118.905 119.800 0.045 0.000 2.320 309 Q HA 0.438 4.777 4.340 -0.000 0.000 0.272 309 Q C -1.567 174.494 176.000 0.102 0.000 1.023 309 Q CA -0.482 55.366 55.803 0.076 0.000 0.855 309 Q CB 2.987 31.753 28.738 0.046 0.000 1.367 309 Q HN 0.516 nan 8.270 nan 0.000 0.406 310 I N 0.390 121.039 120.570 0.131 0.000 2.493 310 I HA 0.684 4.854 4.170 -0.000 0.000 0.298 310 I C -0.199 175.956 176.117 0.062 0.000 0.998 310 I CA -0.511 60.855 61.300 0.110 0.000 1.137 310 I CB 1.468 39.534 38.000 0.110 0.000 1.310 310 I HN 0.712 nan 8.210 nan 0.000 0.445 311 G N 3.702 112.536 108.800 0.056 0.000 2.420 311 G HA2 0.509 4.469 3.960 -0.000 0.000 0.284 311 G HA3 0.509 4.469 3.960 -0.000 0.000 0.284 311 G C -0.530 174.422 174.900 0.087 0.000 1.177 311 G CA -0.192 44.942 45.100 0.056 0.000 0.841 311 G HN 0.710 nan 8.290 nan 0.000 0.527 312 T N -1.312 113.324 114.554 0.138 0.000 2.893 312 T HA 0.645 4.995 4.350 -0.000 0.000 0.293 312 T C -1.534 173.375 174.700 0.348 0.000 1.027 312 T CA -0.809 61.410 62.100 0.199 0.000 0.988 312 T CB 1.822 70.768 68.868 0.129 0.000 1.043 312 T HN 0.430 nan 8.240 nan 0.000 0.461 313 F N 2.788 122.842 119.950 0.174 0.000 2.716 313 F HA 0.783 5.310 4.527 -0.000 0.000 0.354 313 F C -0.879 175.049 175.800 0.214 0.000 1.168 313 F CA -1.365 56.734 58.000 0.165 0.000 1.045 313 F CB 0.897 39.949 39.000 0.086 0.000 1.311 313 F HN 1.147 nan 8.300 nan 0.000 0.477 314 A N 6.259 129.202 122.820 0.206 0.000 2.566 314 A HA 0.591 4.911 4.320 -0.000 0.000 0.297 314 A C -0.202 177.410 177.584 0.048 0.000 1.059 314 A CA -0.552 51.525 52.037 0.066 0.000 0.691 314 A CB 0.888 20.039 19.000 0.251 0.000 1.282 314 A HN 0.613 nan 8.150 nan 0.000 0.401 315 I N 0.732 121.296 120.570 -0.009 0.000 2.480 315 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 315 I C 1.061 177.224 176.117 0.076 0.000 1.124 315 I CA 0.404 61.733 61.300 0.049 0.000 1.444 315 I CB -0.067 37.973 38.000 0.067 0.000 1.098 315 I HN 0.603 nan 8.210 nan 0.000 0.428 316 N N -0.021 118.721 118.700 0.069 0.000 2.366 316 N HA 0.175 4.915 4.740 -0.000 0.000 0.277 316 N C 0.074 175.727 175.510 0.239 0.000 1.275 316 N CA 0.070 53.181 53.050 0.103 0.000 0.964 316 N CB 1.315 39.818 38.487 0.027 0.000 1.167 316 N HN -0.039 nan 8.380 nan 0.000 0.568 317 F N -0.301 119.686 119.950 0.062 0.000 1.943 317 F HA 0.283 4.810 4.527 -0.000 0.000 0.219 317 F C 0.386 176.266 175.800 0.134 0.000 1.259 317 F CA -0.134 57.921 58.000 0.092 0.000 1.284 317 F CB -0.305 38.716 39.000 0.035 0.000 1.919 317 F HN 0.172 nan 8.300 nan 0.000 0.171 318 S N 2.556 118.360 115.700 0.173 0.000 2.564 318 S HA 0.560 5.030 4.470 -0.000 0.000 0.278 318 S C -0.801 173.836 174.600 0.062 0.000 1.333 318 S CA -0.330 57.902 58.200 0.052 0.000 1.048 318 S CB 0.184 63.469 63.200 0.142 0.000 0.900 318 S HN 0.474 nan 8.310 nan 0.000 0.505 319 R N 1.256 121.783 120.500 0.045 0.000 2.833 319 R HA 0.320 4.660 4.340 -0.000 0.000 0.259 319 R C -3.640 172.661 176.300 0.002 0.000 1.047 319 R CA -1.679 54.427 56.100 0.009 0.000 0.916 319 R CB 0.340 30.617 30.300 -0.039 0.000 1.259 319 R HN 0.305 nan 8.270 nan 0.000 0.482 320 P HA 0.004 nan 4.420 nan 0.000 0.267 320 P C -0.056 177.213 177.300 -0.052 0.000 1.200 320 P CA 0.083 63.143 63.100 -0.066 0.000 0.772 320 P CB 1.176 32.828 31.700 -0.080 0.000 0.855 321 A N 2.802 125.598 122.820 -0.040 0.000 2.308 321 A HA 0.247 4.567 4.320 -0.000 0.000 0.217 321 A C 2.154 179.722 177.584 -0.027 0.000 1.216 321 A CA 0.828 52.878 52.037 0.022 0.000 0.864 321 A CB -0.986 18.045 19.000 0.052 0.000 0.902 321 A HN 0.591 nan 8.150 nan 0.000 0.499 322 G N 0.366 109.126 108.800 -0.066 0.000 2.491 322 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 322 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 322 G C 1.435 176.295 174.900 -0.067 0.000 1.180 322 G CA 1.395 46.453 45.100 -0.070 0.000 0.774 322 G HN 0.531 nan 8.290 nan 0.000 0.562 323 Q N -0.075 119.667 119.800 -0.096 0.000 2.061 323 Q HA -0.053 4.287 4.340 -0.000 0.000 0.204 323 Q C 2.863 178.823 176.000 -0.066 0.000 0.984 323 Q CA 1.506 57.248 55.803 -0.101 0.000 0.846 323 Q CB -0.648 27.999 28.738 -0.152 0.000 0.902 323 Q HN 0.373 nan 8.270 nan 0.000 0.421 324 V N 0.622 120.493 119.914 -0.071 0.000 2.287 324 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 324 V C 2.079 178.242 176.094 0.115 0.000 1.053 324 V CA 1.776 64.100 62.300 0.039 0.000 1.027 324 V CB -0.610 31.262 31.823 0.080 0.000 0.646 324 V HN 0.376 nan 8.190 nan 0.000 0.447 325 I N 0.497 121.119 120.570 0.087 0.000 2.208 325 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 325 I C 2.651 178.855 176.117 0.144 0.000 1.097 325 I CA 1.610 62.984 61.300 0.124 0.000 1.363 325 I CB -0.612 37.431 38.000 0.071 0.000 1.051 325 I HN 0.319 nan 8.210 nan 0.000 0.413 326 A N 0.189 123.045 122.820 0.061 0.000 1.898 326 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 326 A C 2.241 179.882 177.584 0.094 0.000 1.181 326 A CA 1.765 53.835 52.037 0.055 0.000 0.620 326 A CB -0.608 18.375 19.000 -0.030 0.000 0.819 326 A HN 0.416 nan 8.150 nan 0.000 0.442 327 Q N -1.216 118.593 119.800 0.016 0.000 2.061 327 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 327 Q C 1.849 177.623 176.000 -0.377 0.000 0.984 327 Q CA 2.429 58.131 55.803 -0.169 0.000 0.846 327 Q CB -0.669 28.024 28.738 -0.074 0.000 0.902 327 Q HN 0.697 nan 8.270 nan 0.000 0.421 328 Y N -0.251 119.908 120.300 -0.236 0.000 2.224 328 Y HA -0.267 4.283 4.550 -0.000 0.000 0.289 328 Y C 2.006 177.927 175.900 0.034 0.000 1.146 328 Y CA 1.823 59.849 58.100 -0.124 0.000 1.182 328 Y CB -0.708 37.778 38.460 0.043 0.000 0.983 328 Y HN 0.396 nan 8.280 nan 0.000 0.524 329 Y N 0.968 121.237 120.300 -0.050 0.000 2.114 329 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 329 Y C 2.240 178.111 175.900 -0.049 0.000 1.143 329 Y CA 2.185 60.236 58.100 -0.083 0.000 1.135 329 Y CB -0.458 37.994 38.460 -0.013 0.000 0.980 329 Y HN 0.046 nan 8.280 nan 0.000 0.499 330 E N 0.106 120.306 120.200 -0.000 0.000 2.160 330 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 330 E C 2.083 178.795 176.600 0.186 0.000 0.991 330 E CA 1.085 57.471 56.400 -0.023 0.000 0.810 330 E CB -0.562 29.219 29.700 0.135 0.000 0.742 330 E HN 0.469 nan 8.360 nan 0.000 0.466 331 F N 0.502 120.474 119.950 0.038 0.000 2.075 331 F HA -0.147 4.380 4.527 -0.000 0.000 0.297 331 F C 2.373 178.110 175.800 -0.105 0.000 1.113 331 F CA 0.595 58.615 58.000 0.033 0.000 1.218 331 F CB -1.165 37.820 39.000 -0.024 0.000 0.984 331 F HN 0.038 nan 8.300 nan 0.000 0.472 332 L N -0.109 121.060 121.223 -0.090 0.000 2.046 332 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 332 L C 2.582 179.344 176.870 -0.181 0.000 1.077 332 L CA 1.512 56.237 54.840 -0.193 0.000 0.747 332 L CB -0.907 40.944 42.059 -0.347 0.000 0.896 332 L HN 0.040 nan 8.230 nan 0.000 0.432 333 R N -0.794 119.514 120.500 -0.319 0.000 2.119 333 R HA -0.022 4.318 4.340 -0.000 0.000 0.222 333 R C 1.949 178.152 176.300 -0.161 0.000 1.088 333 R CA 1.111 57.016 56.100 -0.324 0.000 0.984 333 R CB 0.093 29.982 30.300 -0.685 0.000 0.884 333 R HN 0.353 nan 8.270 nan 0.000 0.447 334 L N -0.973 120.201 121.223 -0.082 0.000 2.349 334 L HA 0.243 4.583 4.340 -0.000 0.000 0.200 334 L C 1.156 178.072 176.870 0.075 0.000 1.064 334 L CA 0.533 55.364 54.840 -0.015 0.000 0.821 334 L CB -0.416 41.587 42.059 -0.094 0.000 1.027 334 L HN 0.386 nan 8.230 nan 0.000 0.476 335 G N 0.344 109.240 108.800 0.159 0.000 2.804 335 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.230 335 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.230 335 G C 0.512 175.478 174.900 0.110 0.000 1.386 335 G CA 0.151 45.309 45.100 0.097 0.000 0.875 335 G HN 0.162 nan 8.290 nan 0.000 0.557 336 R N 0.252 120.808 120.500 0.094 0.000 2.094 336 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 336 R C 2.594 178.940 176.300 0.078 0.000 1.137 336 R CA 2.177 58.372 56.100 0.159 0.000 0.943 336 R CB -0.587 29.841 30.300 0.214 0.000 0.850 336 R HN 0.811 nan 8.270 nan 0.000 0.433 337 E N -0.105 120.137 120.200 0.070 0.000 2.033 337 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 337 E C 2.009 178.620 176.600 0.018 0.000 1.011 337 E CA 1.763 58.192 56.400 0.049 0.000 0.815 337 E CB -0.420 29.303 29.700 0.037 0.000 0.755 337 E HN 0.382 nan 8.360 nan 0.000 0.451 338 G N -0.346 108.458 108.800 0.007 0.000 2.514 338 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 338 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 338 G C 1.246 176.080 174.900 -0.110 0.000 1.198 338 G CA 1.248 46.323 45.100 -0.042 0.000 0.780 338 G HN 0.352 nan 8.290 nan 0.000 0.565 339 Y N 1.325 121.446 120.300 -0.299 0.000 2.114 339 Y HA -0.170 4.380 4.550 -0.000 0.000 0.282 339 Y C 3.439 179.139 175.900 -0.334 0.000 1.165 339 Y CA 1.902 59.707 58.100 -0.492 0.000 1.148 339 Y CB -0.831 36.812 38.460 -1.362 0.000 0.972 339 Y HN 0.162 nan 8.280 nan 0.000 0.504 340 T N 0.051 114.544 114.554 -0.103 0.000 2.665 340 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 340 T C 1.831 176.583 174.700 0.085 0.000 1.035 340 T CA 1.893 64.049 62.100 0.092 0.000 1.151 340 T CB -0.257 68.695 68.868 0.140 0.000 0.862 340 T HN 0.310 nan 8.240 nan 0.000 0.438 341 K N 0.457 120.879 120.400 0.036 0.000 2.032 341 K HA -0.070 4.250 4.320 -0.000 0.000 0.209 341 K C 2.371 178.990 176.600 0.033 0.000 1.048 341 K CA 1.146 57.452 56.287 0.032 0.000 0.927 341 K CB -0.521 31.983 32.500 0.006 0.000 0.712 341 K HN 0.175 nan 8.250 nan 0.000 0.441 342 V N 1.842 121.755 119.914 -0.001 0.000 2.295 342 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 342 V C 2.407 178.551 176.094 0.083 0.000 1.049 342 V CA 1.629 63.932 62.300 0.005 0.000 1.024 342 V CB -0.489 31.292 31.823 -0.071 0.000 0.648 342 V HN 0.325 nan 8.190 nan 0.000 0.447 343 Q N 0.154 120.039 119.800 0.142 0.000 2.084 343 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 343 Q C 2.057 178.227 176.000 0.283 0.000 0.978 343 Q CA 1.738 57.684 55.803 0.238 0.000 0.844 343 Q CB -0.860 28.100 28.738 0.369 0.000 0.898 343 Q HN 0.743 nan 8.270 nan 0.000 0.426 344 N N 0.615 119.468 118.700 0.254 0.000 2.061 344 N HA -0.179 4.561 4.740 -0.000 0.000 0.193 344 N C 1.801 177.417 175.510 0.176 0.000 1.030 344 N CA 1.105 54.296 53.050 0.236 0.000 0.856 344 N CB -0.117 38.452 38.487 0.137 0.000 1.023 344 N HN 0.275 nan 8.380 nan 0.000 0.424 345 A N 0.627 123.512 122.820 0.107 0.000 1.917 345 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 345 A C 2.350 179.977 177.584 0.071 0.000 1.182 345 A CA 1.864 53.937 52.037 0.061 0.000 0.633 345 A CB -0.671 18.345 19.000 0.027 0.000 0.819 345 A HN 0.247 nan 8.150 nan 0.000 0.448 346 S N -1.461 114.290 115.700 0.084 0.000 2.345 346 S HA -0.124 4.346 4.470 -0.000 0.000 0.220 346 S C 1.854 176.476 174.600 0.038 0.000 1.031 346 S CA 1.496 59.726 58.200 0.049 0.000 0.996 346 S CB -0.629 62.578 63.200 0.013 0.000 0.882 346 S HN 0.633 nan 8.310 nan 0.000 0.445 347 Y N 2.069 122.409 120.300 0.066 0.000 2.165 347 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 347 Y C 2.795 178.716 175.900 0.034 0.000 1.155 347 Y CA 1.443 59.565 58.100 0.037 0.000 1.164 347 Y CB -0.617 37.859 38.460 0.026 0.000 0.978 347 Y HN 0.327 nan 8.280 nan 0.000 0.513 348 Q N -0.049 119.865 119.800 0.191 0.000 2.096 348 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 348 Q C 2.206 178.258 176.000 0.086 0.000 0.982 348 Q CA 2.216 58.081 55.803 0.103 0.000 0.850 348 Q CB -0.255 28.515 28.738 0.053 0.000 0.901 348 Q HN 0.372 nan 8.270 nan 0.000 0.422 349 V N 0.935 120.891 119.914 0.070 0.000 2.307 349 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 349 V C 2.434 178.603 176.094 0.125 0.000 1.045 349 V CA 1.727 64.068 62.300 0.067 0.000 1.024 349 V CB -1.104 30.723 31.823 0.006 0.000 0.651 349 V HN 0.537 nan 8.190 nan 0.000 0.449 350 A N 0.141 123.028 122.820 0.111 0.000 1.892 350 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 350 A C 2.441 180.072 177.584 0.078 0.000 1.188 350 A CA 2.568 54.664 52.037 0.097 0.000 0.631 350 A CB -0.985 18.064 19.000 0.080 0.000 0.822 350 A HN 0.603 nan 8.150 nan 0.000 0.447 351 A N -1.425 121.452 122.820 0.095 0.000 1.883 351 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 351 A C 2.166 179.769 177.584 0.033 0.000 1.186 351 A CA 1.884 53.950 52.037 0.050 0.000 0.624 351 A CB -0.973 18.064 19.000 0.063 0.000 0.822 351 A HN 0.843 nan 8.150 nan 0.000 0.444 352 Y N 0.588 120.853 120.300 -0.058 0.000 2.081 352 Y HA -0.225 4.325 4.550 -0.000 0.000 0.280 352 Y C 1.987 177.821 175.900 -0.110 0.000 1.163 352 Y CA 2.008 60.057 58.100 -0.084 0.000 1.135 352 Y CB -0.518 37.893 38.460 -0.082 0.000 0.970 352 Y HN 0.215 nan 8.280 nan 0.000 0.498 353 L N -0.246 120.858 121.223 -0.199 0.000 2.046 353 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 353 L C 2.810 179.498 176.870 -0.304 0.000 1.077 353 L CA 1.198 55.837 54.840 -0.333 0.000 0.747 353 L CB -1.053 40.935 42.059 -0.118 0.000 0.896 353 L HN 0.390 nan 8.230 nan 0.000 0.432 354 A N -0.086 122.615 122.820 -0.198 0.000 1.908 354 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 354 A C 1.984 179.268 177.584 -0.500 0.000 1.181 354 A CA 2.231 54.098 52.037 -0.283 0.000 0.627 354 A CB -0.623 18.238 19.000 -0.232 0.000 0.818 354 A HN 0.446 nan 8.150 nan 0.000 0.445 355 D N -0.691 119.487 120.400 -0.371 0.000 2.097 355 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 355 D C 1.935 178.037 176.300 -0.330 0.000 0.984 355 D CA 1.434 55.233 54.000 -0.337 0.000 0.826 355 D CB -0.095 40.581 40.800 -0.208 0.000 0.973 355 D HN 0.401 nan 8.370 nan 0.000 0.460 356 E N 0.199 120.155 120.200 -0.407 0.000 2.072 356 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 356 E C 2.507 178.910 176.600 -0.328 0.000 0.985 356 E CA 0.468 56.633 56.400 -0.392 0.000 0.801 356 E CB -0.236 29.104 29.700 -0.600 0.000 0.750 356 E HN 0.486 nan 8.360 nan 0.000 0.452 357 I N 1.289 121.626 120.570 -0.388 0.000 2.361 357 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 357 I C 2.415 178.483 176.117 -0.082 0.000 1.133 357 I CA 0.837 61.892 61.300 -0.407 0.000 1.413 357 I CB -0.394 37.219 38.000 -0.645 0.000 1.073 357 I HN -0.023 nan 8.210 nan 0.000 0.424 358 A N 1.116 123.910 122.820 -0.043 0.000 2.019 358 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 358 A C 2.136 179.744 177.584 0.040 0.000 1.164 358 A CA 1.404 53.514 52.037 0.122 0.000 0.644 358 A CB -0.386 18.495 19.000 -0.198 0.000 0.805 358 A HN 0.397 nan 8.150 nan 0.000 0.449 359 K N -0.385 119.985 120.400 -0.050 0.000 2.487 359 K HA 0.236 4.556 4.320 -0.000 0.000 0.192 359 K C 0.621 177.198 176.600 -0.038 0.000 1.027 359 K CA 0.295 56.550 56.287 -0.054 0.000 1.054 359 K CB 0.005 32.461 32.500 -0.074 0.000 0.824 359 K HN 0.473 nan 8.250 nan 0.000 0.510 360 L N -0.383 120.839 121.223 -0.002 0.000 2.693 360 L HA 0.286 4.626 4.340 -0.000 0.000 0.235 360 L C 0.751 177.601 176.870 -0.033 0.000 1.127 360 L CA -0.504 54.357 54.840 0.035 0.000 0.914 360 L CB 0.629 42.753 42.059 0.107 0.000 1.193 360 L HN 0.130 nan 8.230 nan 0.000 0.502 361 G N 0.193 108.806 108.800 -0.313 0.000 2.349 361 G HA2 0.259 4.219 3.960 -0.000 0.000 0.294 361 G HA3 0.259 4.219 3.960 -0.000 0.000 0.294 361 G C -3.022 171.391 174.900 -0.811 0.000 1.380 361 G CA -0.448 44.244 45.100 -0.679 0.000 0.811 361 G HN -0.272 nan 8.290 nan 0.000 0.519 362 P HA 0.330 nan 4.420 nan 0.000 0.238 362 P C -1.414 175.756 177.300 -0.218 0.000 1.794 362 P CA -0.003 62.903 63.100 -0.322 0.000 1.088 362 P CB -0.481 31.098 31.700 -0.202 0.000 1.923 363 Y N -0.582 119.734 120.300 0.025 0.000 2.446 363 Y HA 0.477 5.027 4.550 -0.000 0.000 0.338 363 Y C 0.880 176.783 175.900 0.005 0.000 1.055 363 Y CA -1.452 56.634 58.100 -0.023 0.000 1.101 363 Y CB 1.668 40.008 38.460 -0.202 0.000 1.221 363 Y HN 0.182 nan 8.280 nan 0.000 0.460 364 E N 2.151 122.426 120.200 0.125 0.000 2.113 364 E HA 0.376 4.726 4.350 -0.000 0.000 0.273 364 E C -1.625 174.992 176.600 0.027 0.000 0.924 364 E CA -0.586 55.886 56.400 0.120 0.000 0.764 364 E CB 0.664 30.412 29.700 0.080 0.000 1.104 364 E HN 0.432 nan 8.360 nan 0.000 0.406 365 F N 4.126 124.149 119.950 0.121 0.000 2.420 365 F HA 0.239 4.766 4.527 -0.000 0.000 0.352 365 F C 1.170 177.025 175.800 0.092 0.000 1.108 365 F CA -0.177 57.895 58.000 0.120 0.000 1.162 365 F CB 0.662 39.703 39.000 0.069 0.000 1.118 365 F HN 0.547 nan 8.300 nan 0.000 0.510 366 I N 1.127 121.809 120.570 0.187 0.000 2.628 366 I HA -0.026 4.144 4.170 -0.000 0.000 0.255 366 I C 0.457 176.670 176.117 0.159 0.000 1.119 366 I CA 0.791 62.176 61.300 0.141 0.000 1.448 366 I CB 0.374 38.421 38.000 0.079 0.000 1.133 366 I HN 0.471 nan 8.210 nan 0.000 0.438 367 C N 0.968 120.379 119.300 0.185 0.000 2.431 367 C HA 0.482 4.942 4.460 -0.000 0.000 0.321 367 C C 0.889 176.002 174.990 0.204 0.000 1.202 367 C CA -0.283 58.823 59.018 0.148 0.000 1.398 367 C CB 0.609 28.406 27.740 0.094 0.000 2.047 367 C HN 0.490 nan 8.230 nan 0.000 0.465 368 T N 0.562 115.194 114.554 0.129 0.000 3.296 368 T HA 0.413 4.763 4.350 -0.000 0.000 0.285 368 T C 1.065 175.796 174.700 0.052 0.000 1.014 368 T CA 0.618 62.765 62.100 0.078 0.000 0.920 368 T CB -0.016 68.832 68.868 -0.033 0.000 1.143 368 T HN 2.150 nan 8.240 nan 0.000 0.522 369 G N 2.240 111.090 108.800 0.083 0.000 2.198 369 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 369 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 369 G C -0.040 174.961 174.900 0.168 0.000 1.025 369 G CA -0.368 44.822 45.100 0.151 0.000 0.769 369 G HN 0.704 nan 8.290 nan 0.000 0.507 370 R N 0.346 120.881 120.500 0.059 0.000 2.221 370 R HA 0.320 4.660 4.340 -0.000 0.000 0.327 370 R C -0.892 175.337 176.300 -0.119 0.000 1.033 370 R CA -1.445 54.638 56.100 -0.028 0.000 0.887 370 R CB 1.371 31.662 30.300 -0.015 0.000 1.057 370 R HN 0.121 nan 8.270 nan 0.000 0.455 371 P HA -0.203 nan 4.420 nan 0.000 0.221 371 P C -0.011 177.226 177.300 -0.106 0.000 1.145 371 P CA 1.315 64.052 63.100 -0.606 0.000 0.795 371 P CB 0.279 31.422 31.700 -0.929 0.000 0.775 372 D N -0.467 119.925 120.400 -0.013 0.000 2.349 372 D HA -0.048 4.592 4.640 -0.000 0.000 0.215 372 D C 1.319 177.796 176.300 0.295 0.000 1.016 372 D CA 0.422 54.513 54.000 0.151 0.000 0.870 372 D CB -0.103 40.744 40.800 0.079 0.000 0.917 372 D HN 0.301 nan 8.370 nan 0.000 0.524 373 E N 0.270 120.559 120.200 0.150 0.000 2.372 373 E HA 0.332 4.682 4.350 -0.000 0.000 0.201 373 E C 1.073 177.558 176.600 -0.192 0.000 0.938 373 E CA 0.263 56.754 56.400 0.152 0.000 0.944 373 E CB 1.295 31.036 29.700 0.069 0.000 0.937 373 E HN 0.300 nan 8.360 nan 0.000 0.495 374 G N 1.285 109.739 108.800 -0.577 0.000 2.364 374 G HA2 0.273 4.233 3.960 -0.000 0.000 0.286 374 G HA3 0.273 4.233 3.960 -0.000 0.000 0.286 374 G C -0.952 173.401 174.900 -0.912 0.000 1.241 374 G CA -0.653 43.624 45.100 -1.371 0.000 0.887 374 G HN 0.105 nan 8.290 nan 0.000 0.484 375 I N -1.220 118.945 120.570 -0.675 0.000 3.211 375 I HA 0.563 4.733 4.170 -0.000 0.000 0.297 375 I C -2.293 173.658 176.117 -0.276 0.000 1.095 375 I CA -1.942 59.105 61.300 -0.423 0.000 1.239 375 I CB 1.357 39.156 38.000 -0.334 0.000 1.455 375 I HN 0.083 nan 8.210 nan 0.000 0.630 376 P HA 0.272 nan 4.420 nan 0.000 0.241 376 P C -1.058 176.153 177.300 -0.148 0.000 1.760 376 P CA 0.196 63.018 63.100 -0.463 0.000 1.081 376 P CB 0.026 31.332 31.700 -0.656 0.000 1.975 377 A N 1.392 124.175 122.820 -0.062 0.000 2.527 377 A HA 0.707 5.027 4.320 -0.000 0.000 0.293 377 A C -1.146 176.472 177.584 0.057 0.000 1.117 377 A CA -0.625 51.400 52.037 -0.019 0.000 0.723 377 A CB 1.565 20.542 19.000 -0.039 0.000 1.313 377 A HN 0.047 nan 8.150 nan 0.000 0.411 378 V N 0.336 120.305 119.914 0.092 0.000 2.376 378 V HA 0.479 4.599 4.120 -0.000 0.000 0.287 378 V C -0.704 175.511 176.094 0.202 0.000 1.015 378 V CA -0.526 61.895 62.300 0.200 0.000 0.834 378 V CB 0.845 32.804 31.823 0.227 0.000 1.001 378 V HN 1.003 nan 8.190 nan 0.000 0.428 379 C N 8.273 127.697 119.300 0.206 0.000 2.346 379 C HA 0.897 5.357 4.460 -0.000 0.000 0.326 379 C C -0.631 174.365 174.990 0.010 0.000 1.224 379 C CA -0.725 58.315 59.018 0.037 0.000 1.408 379 C CB -0.385 27.375 27.740 0.034 0.000 2.089 379 C HN 0.819 nan 8.230 nan 0.000 0.456 380 F N 4.062 123.801 119.950 -0.353 0.000 2.613 380 F HA 0.856 5.383 4.527 -0.000 0.000 0.314 380 F C -0.877 174.669 175.800 -0.424 0.000 1.075 380 F CA -1.066 56.596 58.000 -0.563 0.000 0.945 380 F CB 1.193 39.436 39.000 -1.261 0.000 1.310 380 F HN 0.607 nan 8.300 nan 0.000 0.467 381 K N 1.898 122.175 120.400 -0.205 0.000 2.435 381 K HA 0.713 5.033 4.320 -0.000 0.000 0.251 381 K C -1.562 175.056 176.600 0.029 0.000 0.954 381 K CA -0.903 55.283 56.287 -0.167 0.000 0.820 381 K CB 2.406 34.827 32.500 -0.133 0.000 1.292 381 K HN 0.862 nan 8.250 nan 0.000 0.436 382 L N 2.243 123.502 121.223 0.059 0.000 2.483 382 L HA 0.135 4.475 4.340 -0.000 0.000 0.276 382 L C 0.341 177.247 176.870 0.060 0.000 1.213 382 L CA -0.267 54.656 54.840 0.138 0.000 0.843 382 L CB 0.304 42.399 42.059 0.060 0.000 1.107 382 L HN 0.601 nan 8.230 nan 0.000 0.487 383 K N 2.099 122.529 120.400 0.051 0.000 2.448 383 K HA 0.026 4.346 4.320 -0.000 0.000 0.278 383 K C -0.509 176.092 176.600 0.003 0.000 1.009 383 K CA -0.401 55.900 56.287 0.024 0.000 0.995 383 K CB 0.198 32.705 32.500 0.011 0.000 0.917 383 K HN 0.467 nan 8.250 nan 0.000 0.481 384 D N 1.624 122.026 120.400 0.003 0.000 2.583 384 D HA -0.075 4.565 4.640 -0.000 0.000 0.232 384 D C 1.188 177.483 176.300 -0.009 0.000 1.128 384 D CA 1.272 55.270 54.000 -0.003 0.000 0.859 384 D CB 0.596 41.396 40.800 -0.000 0.000 1.169 384 D HN 0.869 nan 8.370 nan 0.000 0.481 385 G N 1.985 110.777 108.800 -0.013 0.000 2.166 385 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 385 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 385 G C 0.130 175.014 174.900 -0.025 0.000 0.986 385 G CA 0.148 45.238 45.100 -0.016 0.000 0.683 385 G HN 0.522 nan 8.290 nan 0.000 0.527 386 E N 0.228 120.407 120.200 -0.035 0.000 2.183 386 E HA 0.507 4.857 4.350 -0.000 0.000 0.271 386 E C -1.108 175.445 176.600 -0.078 0.000 0.919 386 E CA -0.593 55.775 56.400 -0.054 0.000 0.781 386 E CB 1.851 31.514 29.700 -0.061 0.000 1.140 386 E HN 0.241 nan 8.360 nan 0.000 0.402 387 D N 2.976 123.322 120.400 -0.090 0.000 2.440 387 D HA 0.239 4.879 4.640 -0.000 0.000 0.252 387 D C -1.693 174.515 176.300 -0.155 0.000 1.180 387 D CA -1.601 52.328 54.000 -0.118 0.000 0.894 387 D CB 1.119 41.877 40.800 -0.070 0.000 1.111 387 D HN 0.091 nan 8.370 nan 0.000 0.544 388 P HA 0.213 nan 4.420 nan 0.000 0.245 388 P C 0.744 177.938 177.300 -0.177 0.000 1.212 388 P CA 0.406 63.324 63.100 -0.303 0.000 0.774 388 P CB 0.414 31.759 31.700 -0.592 0.000 0.999 389 G N -0.254 108.464 108.800 -0.138 0.000 2.144 389 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 389 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 389 G C -0.189 174.822 174.900 0.186 0.000 0.988 389 G CA 0.038 45.166 45.100 0.046 0.000 0.659 389 G HN 0.586 nan 8.290 nan 0.000 0.522 390 Y N -2.241 118.101 120.300 0.070 0.000 2.750 390 Y HA 0.760 5.310 4.550 -0.000 0.000 0.335 390 Y C -0.294 175.661 175.900 0.091 0.000 1.252 390 Y CA -0.881 57.270 58.100 0.084 0.000 1.064 390 Y CB 0.508 39.025 38.460 0.095 0.000 1.321 390 Y HN 0.782 nan 8.280 nan 0.000 0.451 391 T N -0.773 113.991 114.554 0.350 0.000 2.876 391 T HA 0.426 4.776 4.350 -0.000 0.000 0.289 391 T C 0.456 175.314 174.700 0.263 0.000 1.014 391 T CA -1.010 61.231 62.100 0.234 0.000 0.986 391 T CB 1.445 70.450 68.868 0.229 0.000 1.021 391 T HN 0.906 nan 8.240 nan 0.000 0.458 392 L N 0.566 121.850 121.223 0.103 0.000 2.270 392 L HA -0.177 4.163 4.340 -0.000 0.000 0.217 392 L C 1.974 178.794 176.870 -0.083 0.000 1.107 392 L CA 1.582 56.399 54.840 -0.039 0.000 0.772 392 L CB -0.884 40.998 42.059 -0.295 0.000 0.902 392 L HN 0.719 nan 8.230 nan 0.000 0.439 393 Y N 0.288 120.596 120.300 0.013 0.000 2.242 393 Y HA -0.226 4.324 4.550 -0.000 0.000 0.291 393 Y C 2.525 178.431 175.900 0.009 0.000 1.137 393 Y CA 1.267 59.369 58.100 0.003 0.000 1.181 393 Y CB -0.376 38.093 38.460 0.014 0.000 0.989 393 Y HN 0.272 nan 8.280 nan 0.000 0.527 394 D N -0.462 120.057 120.400 0.198 0.000 2.123 394 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 394 D C 2.206 178.515 176.300 0.016 0.000 0.976 394 D CA 0.811 54.879 54.000 0.113 0.000 0.831 394 D CB -0.522 40.366 40.800 0.145 0.000 0.974 394 D HN 0.213 nan 8.370 nan 0.000 0.469 395 L N 1.203 122.413 121.223 -0.022 0.000 2.042 395 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 395 L C 2.341 179.114 176.870 -0.162 0.000 1.076 395 L CA 1.506 56.242 54.840 -0.172 0.000 0.749 395 L CB -1.105 40.839 42.059 -0.192 0.000 0.893 395 L HN -0.101 nan 8.230 nan 0.000 0.432 396 S N -0.880 114.769 115.700 -0.085 0.000 2.353 396 S HA -0.277 4.193 4.470 -0.000 0.000 0.222 396 S C 2.056 176.640 174.600 -0.026 0.000 1.035 396 S CA 1.639 59.806 58.200 -0.056 0.000 1.025 396 S CB -0.369 62.826 63.200 -0.008 0.000 0.902 396 S HN 0.639 nan 8.310 nan 0.000 0.440 397 E N 0.232 120.430 120.200 -0.002 0.000 2.038 397 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 397 E C 2.355 178.929 176.600 -0.044 0.000 1.000 397 E CA 1.140 57.536 56.400 -0.007 0.000 0.803 397 E CB -0.103 29.601 29.700 0.006 0.000 0.750 397 E HN 0.261 nan 8.360 nan 0.000 0.448 398 R N 0.336 120.788 120.500 -0.080 0.000 2.119 398 R HA -0.171 4.169 4.340 -0.000 0.000 0.246 398 R C 2.505 178.757 176.300 -0.080 0.000 1.146 398 R CA 1.114 57.138 56.100 -0.126 0.000 0.962 398 R CB -1.055 29.151 30.300 -0.157 0.000 0.863 398 R HN 0.385 nan 8.270 nan 0.000 0.442 399 L N 0.234 121.422 121.223 -0.058 0.000 2.141 399 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 399 L C 2.679 179.632 176.870 0.140 0.000 1.094 399 L CA 0.805 55.676 54.840 0.052 0.000 0.763 399 L CB -0.408 41.648 42.059 -0.004 0.000 0.908 399 L HN 0.062 nan 8.230 nan 0.000 0.437 400 R N 1.004 121.540 120.500 0.061 0.000 2.127 400 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 400 R C 2.087 178.392 176.300 0.008 0.000 1.134 400 R CA 1.284 57.413 56.100 0.048 0.000 0.975 400 R CB -0.714 29.598 30.300 0.019 0.000 0.865 400 R HN 0.377 nan 8.270 nan 0.000 0.447 401 L N 0.233 121.447 121.223 -0.014 0.000 2.349 401 L HA -0.123 4.217 4.340 -0.000 0.000 0.220 401 L C 1.915 178.760 176.870 -0.041 0.000 1.130 401 L CA 1.070 55.882 54.840 -0.047 0.000 0.791 401 L CB -0.176 41.830 42.059 -0.088 0.000 0.918 401 L HN -0.066 nan 8.230 nan 0.000 0.444 402 R N -0.459 120.037 120.500 -0.007 0.000 2.432 402 R HA 0.231 4.571 4.340 -0.000 0.000 0.260 402 R C 1.200 177.345 176.300 -0.259 0.000 0.935 402 R CA 0.703 56.766 56.100 -0.062 0.000 1.080 402 R CB 0.829 31.189 30.300 0.101 0.000 1.155 402 R HN 0.345 nan 8.270 nan 0.000 0.531 403 G N 0.487 109.182 108.800 -0.175 0.000 2.175 403 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 403 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 403 G C -0.229 174.549 174.900 -0.204 0.000 0.982 403 G CA -0.102 44.866 45.100 -0.220 0.000 0.641 403 G HN 0.293 nan 8.290 nan 0.000 0.527 404 W N 1.120 122.413 121.300 -0.012 0.000 2.218 404 W HA 0.618 5.278 4.660 -0.000 0.000 0.326 404 W C 0.859 177.351 176.519 -0.045 0.000 1.276 404 W CA -0.452 56.873 57.345 -0.033 0.000 1.210 404 W CB 0.622 30.064 29.460 -0.031 0.000 1.143 404 W HN 0.070 nan 8.180 nan 0.000 0.563 405 Q N 2.380 122.308 119.800 0.213 0.000 2.508 405 Q HA 0.335 4.675 4.340 -0.000 0.000 0.247 405 Q C -1.103 174.937 176.000 0.066 0.000 1.047 405 Q CA -0.502 55.360 55.803 0.099 0.000 0.783 405 Q CB 1.536 30.304 28.738 0.049 0.000 1.172 405 Q HN 0.235 nan 8.270 nan 0.000 0.515 406 V N 4.923 124.869 119.914 0.053 0.000 2.304 406 V HA 0.302 4.422 4.120 -0.000 0.000 0.278 406 V C -1.906 174.193 176.094 0.008 0.000 1.018 406 V CA -1.760 60.544 62.300 0.007 0.000 0.814 406 V CB 1.007 32.816 31.823 -0.023 0.000 1.021 406 V HN 0.577 nan 8.190 nan 0.000 0.440 407 P HA 0.284 nan 4.420 nan 0.000 0.269 407 P C -0.663 176.655 177.300 0.031 0.000 1.209 407 P CA 0.034 63.207 63.100 0.120 0.000 0.776 407 P CB 1.401 33.244 31.700 0.239 0.000 0.876 408 A N 3.553 126.389 122.820 0.026 0.000 2.353 408 A HA 0.754 5.074 4.320 -0.000 0.000 0.299 408 A C -0.795 176.720 177.584 -0.114 0.000 1.089 408 A CA -0.531 51.327 52.037 -0.299 0.000 0.736 408 A CB 0.516 19.267 19.000 -0.416 0.000 1.195 408 A HN 0.526 nan 8.150 nan 0.000 0.447 409 F N -0.289 119.539 119.950 -0.203 0.000 2.715 409 F HA 0.849 5.376 4.527 -0.000 0.000 0.318 409 F C 0.030 175.804 175.800 -0.043 0.000 1.141 409 F CA -0.675 57.307 58.000 -0.031 0.000 0.950 409 F CB 1.095 40.119 39.000 0.039 0.000 1.374 409 F HN 0.430 nan 8.300 nan 0.000 0.477 410 T N 0.284 115.021 114.554 0.304 0.000 2.875 410 T HA 0.681 5.031 4.350 -0.000 0.000 0.284 410 T C -0.146 174.710 174.700 0.260 0.000 0.995 410 T CA -0.764 61.440 62.100 0.172 0.000 1.060 410 T CB 1.269 70.230 68.868 0.155 0.000 0.967 410 T HN 0.736 nan 8.240 nan 0.000 0.476 411 L N 1.444 122.750 121.223 0.139 0.000 2.475 411 L HA 0.577 4.917 4.340 -0.000 0.000 0.250 411 L C 1.417 178.310 176.870 0.038 0.000 1.224 411 L CA -0.543 54.370 54.840 0.122 0.000 0.821 411 L CB 0.061 42.152 42.059 0.052 0.000 1.141 411 L HN 0.974 nan 8.230 nan 0.000 0.494 412 G N -1.727 107.039 108.800 -0.056 0.000 2.857 412 G HA2 0.546 4.506 3.960 -0.000 0.000 0.217 412 G HA3 0.546 4.506 3.960 -0.000 0.000 0.217 412 G C 0.268 175.130 174.900 -0.064 0.000 1.357 412 G CA -0.125 44.931 45.100 -0.074 0.000 1.033 412 G HN 0.965 nan 8.290 nan 0.000 0.571 413 G N -0.062 108.702 108.800 -0.059 0.000 2.629 413 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.313 413 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.313 413 G C 0.708 175.588 174.900 -0.034 0.000 1.217 413 G CA 0.823 45.895 45.100 -0.047 0.000 0.994 413 G HN 0.749 nan 8.290 nan 0.000 0.549 414 E N 1.419 121.595 120.200 -0.040 0.000 2.394 414 E HA 0.490 4.840 4.350 -0.000 0.000 0.191 414 E C 1.194 177.777 176.600 -0.028 0.000 1.044 414 E CA 0.428 56.809 56.400 -0.031 0.000 0.939 414 E CB 0.447 30.125 29.700 -0.036 0.000 1.089 414 E HN 0.788 nan 8.360 nan 0.000 0.456 415 A N 0.802 123.606 122.820 -0.027 0.000 2.610 415 A HA 0.047 4.367 4.320 -0.000 0.000 0.291 415 A C 1.707 179.288 177.584 -0.006 0.000 1.116 415 A CA -0.225 51.800 52.037 -0.019 0.000 0.963 415 A CB -0.319 18.666 19.000 -0.025 0.000 1.220 415 A HN 0.224 nan 8.150 nan 0.000 0.530 416 T N -1.644 112.910 114.554 -0.001 0.000 2.996 416 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 416 T C 0.790 175.506 174.700 0.027 0.000 1.126 416 T CA 1.711 63.821 62.100 0.016 0.000 1.103 416 T CB -0.547 68.329 68.868 0.013 0.000 0.870 416 T HN 0.514 nan 8.240 nan 0.000 0.528 417 D N -0.003 120.406 120.400 0.015 0.000 2.369 417 D HA 0.225 4.865 4.640 -0.000 0.000 0.211 417 D C 0.321 176.627 176.300 0.010 0.000 1.077 417 D CA -0.417 53.596 54.000 0.020 0.000 0.842 417 D CB -0.290 40.518 40.800 0.013 0.000 0.947 417 D HN 0.466 nan 8.370 nan 0.000 0.509 418 I N 1.275 121.842 120.570 -0.005 0.000 2.315 418 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 418 I C -0.461 175.613 176.117 -0.071 0.000 1.006 418 I CA -0.924 60.355 61.300 -0.035 0.000 1.265 418 I CB 1.862 39.838 38.000 -0.040 0.000 1.387 418 I HN -0.223 nan 8.210 nan 0.000 0.475 419 V N 7.779 127.619 119.914 -0.122 0.000 2.370 419 V HA 0.360 4.480 4.120 -0.000 0.000 0.279 419 V C 0.136 175.994 176.094 -0.393 0.000 1.029 419 V CA -0.466 61.681 62.300 -0.254 0.000 0.870 419 V CB 1.755 33.411 31.823 -0.278 0.000 0.984 419 V HN 0.546 nan 8.190 nan 0.000 0.451 420 V N 3.215 122.784 119.914 -0.576 0.000 3.046 420 V HA 0.760 4.880 4.120 -0.000 0.000 0.316 420 V C -0.485 175.051 176.094 -0.930 0.000 1.104 420 V CA -1.014 60.865 62.300 -0.702 0.000 1.006 420 V CB 2.101 33.561 31.823 -0.604 0.000 1.058 420 V HN 0.845 nan 8.190 nan 0.000 0.440 421 M N 2.712 121.739 119.600 -0.955 0.000 2.393 421 M HA 0.664 5.144 4.480 -0.000 0.000 0.316 421 M C -0.856 175.065 176.300 -0.632 0.000 1.087 421 M CA -0.638 54.156 55.300 -0.844 0.000 0.937 421 M CB 1.798 33.769 32.600 -1.048 0.000 1.668 421 M HN 0.947 nan 8.290 nan 0.000 0.438 422 R N 5.716 126.042 120.500 -0.290 0.000 2.502 422 R HA 0.568 4.908 4.340 -0.000 0.000 0.300 422 R C -2.022 174.262 176.300 -0.026 0.000 0.984 422 R CA -0.452 55.597 56.100 -0.084 0.000 0.882 422 R CB 1.295 31.655 30.300 0.098 0.000 1.180 422 R HN 0.849 nan 8.270 nan 0.000 0.444 423 I N 5.184 125.749 120.570 -0.009 0.000 2.321 423 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 423 I C -0.007 176.057 176.117 -0.088 0.000 0.998 423 I CA -0.744 60.534 61.300 -0.036 0.000 1.227 423 I CB 1.689 39.708 38.000 0.031 0.000 1.368 423 I HN 0.407 nan 8.210 nan 0.000 0.466 424 M N 5.511 124.994 119.600 -0.195 0.000 2.209 424 M HA 0.263 4.743 4.480 -0.000 0.000 0.355 424 M C -0.808 175.361 176.300 -0.219 0.000 1.171 424 M CA -0.453 54.685 55.300 -0.271 0.000 1.069 424 M CB 1.176 33.489 32.600 -0.477 0.000 1.622 424 M HN 0.557 nan 8.290 nan 0.000 0.459 425 C N 5.161 124.416 119.300 -0.076 0.000 2.170 425 C HA 0.457 4.917 4.460 -0.000 0.000 0.339 425 C C 0.839 175.879 174.990 0.082 0.000 1.056 425 C CA -0.963 58.106 59.018 0.084 0.000 1.535 425 C CB -0.858 26.995 27.740 0.188 0.000 1.785 425 C HN 0.779 nan 8.230 nan 0.000 0.440 426 R N 0.894 121.392 120.500 -0.003 0.000 2.574 426 R HA 0.429 4.769 4.340 -0.000 0.000 0.266 426 R C 0.585 176.939 176.300 0.090 0.000 1.157 426 R CA -0.742 55.350 56.100 -0.014 0.000 1.187 426 R CB 0.733 30.955 30.300 -0.131 0.000 1.179 426 R HN 0.614 nan 8.270 nan 0.000 0.600 427 R N 0.141 120.687 120.500 0.078 0.000 2.522 427 R HA 0.064 4.404 4.340 -0.000 0.000 0.284 427 R C 0.267 176.618 176.300 0.086 0.000 1.032 427 R CA 1.295 57.448 56.100 0.089 0.000 1.049 427 R CB 0.072 30.437 30.300 0.108 0.000 0.956 427 R HN 0.890 nan 8.270 nan 0.000 0.422 428 G N 3.341 112.149 108.800 0.014 0.000 2.144 428 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 428 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 428 G C -0.500 174.554 174.900 0.257 0.000 0.988 428 G CA -0.010 45.072 45.100 -0.030 0.000 0.659 428 G HN 0.574 nan 8.290 nan 0.000 0.522 429 F N 3.302 123.293 119.950 0.068 0.000 2.523 429 F HA 0.426 4.953 4.527 -0.000 0.000 0.322 429 F C 0.733 176.585 175.800 0.087 0.000 1.361 429 F CA -1.710 56.357 58.000 0.112 0.000 1.151 429 F CB 0.080 39.074 39.000 -0.010 0.000 1.391 429 F HN 0.320 nan 8.300 nan 0.000 0.566 430 E N 1.131 121.375 120.200 0.072 0.000 2.428 430 E HA -0.079 4.271 4.350 -0.000 0.000 0.257 430 E C 1.226 177.725 176.600 -0.170 0.000 1.197 430 E CA -0.278 56.090 56.400 -0.054 0.000 0.974 430 E CB 0.619 30.293 29.700 -0.044 0.000 0.976 430 E HN 0.531 nan 8.360 nan 0.000 0.463 431 M N 1.264 120.764 119.600 -0.167 0.000 2.110 431 M HA -0.251 4.229 4.480 -0.000 0.000 0.257 431 M C 1.648 177.844 176.300 -0.173 0.000 1.071 431 M CA 2.716 57.881 55.300 -0.224 0.000 1.096 431 M CB -0.886 31.571 32.600 -0.238 0.000 1.300 431 M HN 0.786 nan 8.290 nan 0.000 0.411 432 D N -1.022 119.321 120.400 -0.095 0.000 2.149 432 D HA -0.225 4.415 4.640 -0.000 0.000 0.198 432 D C 1.811 178.161 176.300 0.084 0.000 0.990 432 D CA 1.320 55.305 54.000 -0.025 0.000 0.839 432 D CB -0.297 40.490 40.800 -0.022 0.000 0.948 432 D HN 0.416 nan 8.370 nan 0.000 0.460 433 F N 1.104 120.983 119.950 -0.120 0.000 2.146 433 F HA 0.086 4.613 4.527 -0.000 0.000 0.298 433 F C 2.221 177.945 175.800 -0.126 0.000 1.096 433 F CA 1.233 59.211 58.000 -0.036 0.000 1.275 433 F CB -1.033 37.971 39.000 0.006 0.000 1.008 433 F HN 0.045 nan 8.300 nan 0.000 0.480 434 A N -0.228 122.310 122.820 -0.470 0.000 2.019 434 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 434 A C 2.214 179.700 177.584 -0.163 0.000 1.164 434 A CA 1.444 53.065 52.037 -0.693 0.000 0.644 434 A CB -0.722 17.799 19.000 -0.797 0.000 0.805 434 A HN 0.380 nan 8.150 nan 0.000 0.449 435 E N 0.110 120.306 120.200 -0.007 0.000 2.110 435 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 435 E C 1.987 178.646 176.600 0.100 0.000 0.988 435 E CA 0.958 57.418 56.400 0.101 0.000 0.804 435 E CB -0.264 29.488 29.700 0.086 0.000 0.745 435 E HN 0.700 nan 8.360 nan 0.000 0.458 436 L N 0.484 121.810 121.223 0.172 0.000 2.083 436 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 436 L C 2.672 179.679 176.870 0.227 0.000 1.083 436 L CA 0.610 55.618 54.840 0.280 0.000 0.752 436 L CB -0.519 41.835 42.059 0.491 0.000 0.899 436 L HN 0.191 nan 8.230 nan 0.000 0.433 437 L N -0.015 121.187 121.223 -0.035 0.000 2.017 437 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 437 L C 2.355 179.107 176.870 -0.197 0.000 1.073 437 L CA 1.663 56.172 54.840 -0.553 0.000 0.745 437 L CB -0.682 40.881 42.059 -0.826 0.000 0.894 437 L HN 0.090 nan 8.230 nan 0.000 0.432 438 L N 0.092 121.259 121.223 -0.094 0.000 2.013 438 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 438 L C 2.455 179.354 176.870 0.048 0.000 1.073 438 L CA 2.036 56.847 54.840 -0.047 0.000 0.753 438 L CB -0.887 41.120 42.059 -0.087 0.000 0.890 438 L HN 0.462 nan 8.230 nan 0.000 0.432 439 E N -0.598 119.642 120.200 0.068 0.000 2.049 439 E HA -0.273 4.077 4.350 -0.000 0.000 0.198 439 E C 1.794 178.462 176.600 0.114 0.000 1.007 439 E CA 1.679 58.136 56.400 0.095 0.000 0.809 439 E CB -0.199 29.569 29.700 0.114 0.000 0.749 439 E HN 0.563 nan 8.360 nan 0.000 0.450 440 D N -0.604 119.876 120.400 0.133 0.000 2.218 440 D HA -0.150 4.490 4.640 -0.000 0.000 0.204 440 D C 1.497 177.837 176.300 0.067 0.000 0.976 440 D CA 0.710 54.789 54.000 0.131 0.000 0.853 440 D CB -0.194 40.752 40.800 0.244 0.000 0.939 440 D HN 0.199 nan 8.370 nan 0.000 0.481 441 Y N 1.552 121.820 120.300 -0.055 0.000 2.133 441 Y HA -0.132 4.418 4.550 -0.000 0.000 0.287 441 Y C 2.007 177.890 175.900 -0.028 0.000 1.134 441 Y CA 1.443 59.504 58.100 -0.065 0.000 1.133 441 Y CB 0.054 38.455 38.460 -0.097 0.000 0.987 441 Y HN -0.171 nan 8.280 nan 0.000 0.502 442 K N -0.356 120.195 120.400 0.251 0.000 2.032 442 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 442 K C 2.319 178.981 176.600 0.104 0.000 1.048 442 K CA 1.270 57.655 56.287 0.162 0.000 0.927 442 K CB -0.476 32.085 32.500 0.101 0.000 0.712 442 K HN 0.354 nan 8.250 nan 0.000 0.441 443 A N 1.213 124.085 122.820 0.087 0.000 1.908 443 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 443 A C 2.236 179.852 177.584 0.054 0.000 1.181 443 A CA 2.086 54.166 52.037 0.072 0.000 0.627 443 A CB -0.600 18.442 19.000 0.070 0.000 0.818 443 A HN 0.211 nan 8.150 nan 0.000 0.445 444 S N -0.104 115.593 115.700 -0.005 0.000 2.368 444 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 444 S C 1.830 176.397 174.600 -0.056 0.000 1.029 444 S CA 1.348 59.509 58.200 -0.065 0.000 0.988 444 S CB -0.464 62.621 63.200 -0.192 0.000 0.838 444 S HN 0.511 nan 8.310 nan 0.000 0.462 445 L N 1.423 122.604 121.223 -0.070 0.000 2.012 445 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 445 L C 2.619 179.497 176.870 0.013 0.000 1.073 445 L CA 1.498 56.285 54.840 -0.089 0.000 0.748 445 L CB -0.567 41.505 42.059 0.023 0.000 0.891 445 L HN 0.308 nan 8.230 nan 0.000 0.431 446 K N -0.395 120.044 120.400 0.064 0.000 2.044 446 K HA -0.295 4.025 4.320 -0.000 0.000 0.210 446 K C 2.297 178.964 176.600 0.111 0.000 1.049 446 K CA 2.057 58.395 56.287 0.085 0.000 0.927 446 K CB -0.379 32.176 32.500 0.091 0.000 0.713 446 K HN 0.159 nan 8.250 nan 0.000 0.443 447 Y N 1.354 121.660 120.300 0.011 0.000 2.145 447 Y HA -0.186 4.364 4.550 -0.000 0.000 0.286 447 Y C 1.819 177.749 175.900 0.050 0.000 1.145 447 Y CA 1.699 59.803 58.100 0.006 0.000 1.148 447 Y CB -0.202 38.195 38.460 -0.105 0.000 0.981 447 Y HN 0.023 nan 8.280 nan 0.000 0.507 448 L N -0.741 120.588 121.223 0.177 0.000 2.187 448 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 448 L C 2.778 179.707 176.870 0.099 0.000 1.100 448 L CA 1.562 56.473 54.840 0.119 0.000 0.765 448 L CB -0.792 41.263 42.059 -0.007 0.000 0.904 448 L HN 0.270 nan 8.230 nan 0.000 0.437 449 S N -0.173 115.576 115.700 0.082 0.000 2.345 449 S HA -0.165 4.305 4.470 -0.000 0.000 0.219 449 S C 1.543 176.162 174.600 0.031 0.000 1.031 449 S CA 1.303 59.552 58.200 0.080 0.000 0.984 449 S CB -0.145 63.100 63.200 0.075 0.000 0.874 449 S HN 0.413 nan 8.310 nan 0.000 0.451 450 D N 0.394 120.803 120.400 0.015 0.000 2.378 450 D HA 0.018 4.658 4.640 -0.000 0.000 0.227 450 D C -0.276 175.847 176.300 -0.295 0.000 1.012 450 D CA 0.715 54.660 54.000 -0.091 0.000 0.905 450 D CB -0.160 40.595 40.800 -0.075 0.000 0.895 450 D HN 0.557 nan 8.370 nan 0.000 0.532 451 H N -1.406 117.522 119.070 -0.238 0.000 2.429 451 H HA 0.228 4.784 4.556 -0.000 0.000 0.231 451 H C -1.833 173.455 175.328 -0.067 0.000 1.416 451 H CA -1.482 54.446 56.048 -0.201 0.000 1.443 451 H CB 1.020 30.559 29.762 -0.372 0.000 1.591 451 H HN -0.145 nan 8.280 nan 0.000 0.507 452 P HA -0.212 nan 4.420 nan 0.000 0.221 452 P C 0.149 177.492 177.300 0.073 0.000 1.141 452 P CA 1.290 64.424 63.100 0.057 0.000 0.794 452 P CB 0.379 32.092 31.700 0.022 0.000 0.764 453 K N 0.000 120.446 120.400 0.076 0.000 2.780 453 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 453 K CA 0.000 56.335 56.287 0.080 0.000 0.838 453 K CB 0.000 32.546 32.500 0.077 0.000 1.064 453 K HN 0.000 nan 8.250 nan 0.000 0.543