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 2dgm_1_D 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 KLQG 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 -0.007 0.000 0.988 3 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 3 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 4 K N 0.987 121.382 120.400 -0.008 0.000 2.032 4 K HA -0.123 4.182 4.320 -0.024 0.000 0.209 4 K C 1.929 178.521 176.600 -0.013 0.000 1.048 4 K CA 1.968 58.250 56.287 -0.010 0.000 0.927 4 K CB 0.060 32.554 32.500 -0.009 0.000 0.712 4 K HN 0.202 nan 8.250 nan 0.000 0.441 5 Q N 0.215 120.006 119.800 -0.014 0.000 2.135 5 Q HA -0.136 4.189 4.340 -0.024 0.000 0.204 5 Q C 2.223 178.213 176.000 -0.017 0.000 0.981 5 Q CA 1.377 57.169 55.803 -0.019 0.000 0.856 5 Q CB -0.244 28.483 28.738 -0.018 0.000 0.902 5 Q HN 0.235 nan 8.270 nan 0.000 0.425 6 V N 0.965 120.871 119.914 -0.013 0.000 2.270 6 V HA -0.216 3.889 4.120 -0.024 0.000 0.245 6 V C 2.620 178.707 176.094 -0.011 0.000 1.043 6 V CA 2.193 64.486 62.300 -0.011 0.000 1.014 6 V CB -1.461 30.357 31.823 -0.009 0.000 0.645 6 V HN 0.515 nan 8.190 nan 0.000 0.447 7 T N -2.270 112.278 114.554 -0.010 0.000 2.833 7 T HA -0.218 4.118 4.350 -0.024 0.000 0.269 7 T C 1.558 176.251 174.700 -0.011 0.000 1.054 7 T CA 1.608 63.702 62.100 -0.009 0.000 1.135 7 T CB -0.431 68.433 68.868 -0.007 0.000 0.869 7 T HN 0.408 nan 8.240 nan 0.000 0.466 8 D N 0.999 121.390 120.400 -0.014 0.000 2.117 8 D HA 0.016 4.641 4.640 -0.024 0.000 0.198 8 D C 2.015 178.303 176.300 -0.019 0.000 0.982 8 D CA 0.619 54.609 54.000 -0.017 0.000 0.828 8 D CB -0.353 40.433 40.800 -0.022 0.000 0.967 8 D HN 0.260 nan 8.370 nan 0.000 0.464 9 L N 1.313 122.524 121.223 -0.020 0.000 2.083 9 L HA -0.098 4.227 4.340 -0.024 0.000 0.209 9 L C 2.316 179.176 176.870 -0.016 0.000 1.083 9 L CA 1.457 56.285 54.840 -0.020 0.000 0.752 9 L CB -0.422 41.626 42.059 -0.019 0.000 0.899 9 L HN -0.121 nan 8.230 nan 0.000 0.433 10 R N -1.274 119.218 120.500 -0.013 0.000 2.081 10 R HA -0.141 4.184 4.340 -0.024 0.000 0.235 10 R C 2.183 178.477 176.300 -0.011 0.000 1.131 10 R CA 1.743 57.837 56.100 -0.010 0.000 0.960 10 R CB -0.246 30.049 30.300 -0.008 0.000 0.856 10 R HN 0.379 nan 8.270 nan 0.000 0.436 11 S N 0.551 116.245 115.700 -0.011 0.000 2.368 11 S HA -0.170 4.285 4.470 -0.024 0.000 0.225 11 S C 1.666 176.258 174.600 -0.014 0.000 1.030 11 S CA 1.485 59.679 58.200 -0.010 0.000 0.999 11 S CB -0.206 62.989 63.200 -0.009 0.000 0.844 11 S HN 0.469 nan 8.310 nan 0.000 0.459 12 E N 0.608 120.798 120.200 -0.017 0.000 2.118 12 E HA -0.176 4.160 4.350 -0.024 0.000 0.195 12 E C 1.937 178.525 176.600 -0.020 0.000 0.992 12 E CA 0.965 57.352 56.400 -0.021 0.000 0.804 12 E CB -0.127 29.559 29.700 -0.024 0.000 0.741 12 E HN 0.373 nan 8.360 nan 0.000 0.458 13 L N -0.145 121.068 121.223 -0.017 0.000 2.102 13 L HA 0.031 4.357 4.340 -0.024 0.000 0.202 13 L C 1.788 178.649 176.870 -0.015 0.000 1.076 13 L CA 1.493 56.323 54.840 -0.016 0.000 0.761 13 L CB -0.079 41.972 42.059 -0.013 0.000 0.921 13 L HN 0.189 nan 8.230 nan 0.000 0.444 14 L N -0.839 120.377 121.223 -0.012 0.000 2.477 14 L HA 0.125 4.450 4.340 -0.024 0.000 0.220 14 L C 0.065 176.930 176.870 -0.008 0.000 1.106 14 L CA -0.352 54.483 54.840 -0.009 0.000 0.851 14 L CB -0.446 41.610 42.059 -0.006 0.000 0.994 14 L HN 0.139 nan 8.230 nan 0.000 0.462 15 D N 1.238 121.631 120.400 -0.011 0.000 2.455 15 D HA 0.061 4.687 4.640 -0.024 0.000 0.241 15 D C 0.568 176.859 176.300 -0.016 0.000 1.138 15 D CA 0.231 54.226 54.000 -0.009 0.000 0.877 15 D CB 0.959 41.752 40.800 -0.012 0.000 1.187 15 D HN 0.087 nan 8.370 nan 0.000 0.451 16 S N 2.100 117.797 115.700 -0.005 0.000 2.608 16 S HA 0.152 4.608 4.470 -0.024 0.000 0.261 16 S C 1.316 175.882 174.600 -0.058 0.000 1.314 16 S CA -0.676 57.518 58.200 -0.009 0.000 0.992 16 S CB 1.417 64.637 63.200 0.033 0.000 0.935 16 S HN 0.381 nan 8.310 nan 0.000 0.564 17 R N 0.550 120.977 120.500 -0.122 0.000 2.133 17 R HA -0.140 4.185 4.340 -0.024 0.000 0.245 17 R C 1.417 177.410 176.300 -0.512 0.000 1.137 17 R CA 2.295 58.181 56.100 -0.357 0.000 0.947 17 R CB -1.180 28.816 30.300 -0.507 0.000 0.865 17 R HN 0.796 nan 8.270 nan 0.000 0.437 18 F N -2.004 117.955 119.950 0.014 0.000 2.749 18 F HA 0.328 4.839 4.527 -0.027 0.000 0.300 18 F C 1.956 177.759 175.800 0.006 0.000 1.103 18 F CA 0.613 58.619 58.000 0.010 0.000 1.342 18 F CB 0.175 39.181 39.000 0.011 0.000 1.098 18 F HN 0.192 nan 8.300 nan 0.000 0.586 19 G N -0.132 108.732 108.800 0.106 0.000 3.088 19 G HA2 0.338 4.284 3.960 -0.024 0.000 0.217 19 G HA3 0.338 4.284 3.960 -0.024 0.000 0.217 19 G C 0.623 175.540 174.900 0.028 0.000 1.159 19 G CA 0.273 45.414 45.100 0.069 0.000 0.760 19 G HN 0.288 nan 8.290 nan 0.000 0.550 20 A N 0.429 123.248 122.820 -0.001 0.000 2.440 20 A HA 0.419 4.725 4.320 -0.024 0.000 0.251 20 A C 1.450 179.029 177.584 -0.008 0.000 1.089 20 A CA -0.011 52.015 52.037 -0.019 0.000 0.779 20 A CB 0.653 19.623 19.000 -0.051 0.000 1.022 20 A HN 0.263 nan 8.150 nan 0.000 0.492 21 K N 1.538 121.933 120.400 -0.008 0.000 2.103 21 K HA -0.163 4.143 4.320 -0.024 0.000 0.207 21 K C 1.960 178.555 176.600 -0.007 0.000 1.048 21 K CA 1.949 58.233 56.287 -0.005 0.000 0.930 21 K CB -0.154 32.341 32.500 -0.008 0.000 0.716 21 K HN 0.871 nan 8.250 nan 0.000 0.444 22 S N 0.403 116.093 115.700 -0.017 0.000 2.469 22 S HA -0.140 4.316 4.470 -0.024 0.000 0.238 22 S C 1.675 176.265 174.600 -0.018 0.000 0.998 22 S CA 0.913 59.102 58.200 -0.018 0.000 0.957 22 S CB -0.239 62.947 63.200 -0.025 0.000 0.764 22 S HN 0.454 nan 8.310 nan 0.000 0.514 23 I N 2.052 122.612 120.570 -0.017 0.000 3.928 23 I HA 0.124 4.280 4.170 -0.024 0.000 0.335 23 I C 1.472 177.604 176.117 0.025 0.000 1.325 23 I CA 0.222 61.518 61.300 -0.006 0.000 1.107 23 I CB 0.109 38.090 38.000 -0.033 0.000 1.014 23 I HN 0.438 nan 8.210 nan 0.000 0.400 24 S N -0.964 114.748 115.700 0.019 0.000 2.603 24 S HA 0.071 4.527 4.470 -0.024 0.000 0.220 24 S C 0.842 175.452 174.600 0.018 0.000 0.967 24 S CA 0.164 58.379 58.200 0.025 0.000 0.920 24 S CB -0.659 62.552 63.200 0.018 0.000 0.773 24 S HN 0.479 nan 8.310 nan 0.000 0.529 25 T N -0.920 113.642 114.554 0.012 0.000 2.888 25 T HA 0.702 5.038 4.350 -0.024 0.000 0.288 25 T C -0.258 174.444 174.700 0.004 0.000 1.063 25 T CA -1.084 61.021 62.100 0.008 0.000 1.010 25 T CB 0.834 69.705 68.868 0.004 0.000 1.214 25 T HN 0.166 nan 8.240 nan 0.000 0.533 26 I N 1.671 122.241 120.570 0.000 0.000 2.474 26 I HA 0.457 4.613 4.170 -0.024 0.000 0.287 26 I C 1.208 177.316 176.117 -0.014 0.000 1.048 26 I CA -0.883 60.413 61.300 -0.005 0.000 1.383 26 I CB 0.996 38.993 38.000 -0.005 0.000 1.412 26 I HN 0.953 nan 8.210 nan 0.000 0.531 27 A N 5.164 127.970 122.820 -0.022 0.000 2.520 27 A HA 0.036 4.341 4.320 -0.024 0.000 0.235 27 A C 0.196 177.758 177.584 -0.038 0.000 1.065 27 A CA -0.131 51.885 52.037 -0.035 0.000 0.764 27 A CB 0.121 19.094 19.000 -0.046 0.000 1.002 27 A HN 0.737 nan 8.150 nan 0.000 0.502 28 E N 0.610 120.780 120.200 -0.049 0.000 2.384 28 E HA 0.277 4.612 4.350 -0.024 0.000 0.266 28 E C 0.726 177.292 176.600 -0.056 0.000 1.012 28 E CA 0.936 57.305 56.400 -0.052 0.000 0.901 28 E CB 0.438 30.096 29.700 -0.071 0.000 0.967 28 E HN 0.651 nan 8.360 nan 0.000 0.435 29 S N 2.795 118.470 115.700 -0.041 0.000 2.817 29 S HA 0.269 4.725 4.470 -0.024 0.000 0.262 29 S C 0.630 175.215 174.600 -0.025 0.000 1.051 29 S CA -0.514 57.664 58.200 -0.037 0.000 1.185 29 S CB 0.247 63.430 63.200 -0.029 0.000 1.152 29 S HN 0.451 nan 8.310 nan 0.000 0.653 30 K N 0.623 121.011 120.400 -0.019 0.000 2.424 30 K HA 0.364 4.669 4.320 -0.024 0.000 0.200 30 K C 0.352 176.958 176.600 0.010 0.000 1.279 30 K CA 0.066 56.351 56.287 -0.004 0.000 0.918 30 K CB 0.681 33.180 32.500 -0.001 0.000 1.287 30 K HN 0.180 nan 8.250 nan 0.000 0.502 31 R N 0.175 120.681 120.500 0.010 0.000 2.888 31 R HA 0.297 4.622 4.340 -0.024 0.000 0.266 31 R C -0.981 175.351 176.300 0.053 0.000 1.020 31 R CA -0.878 55.251 56.100 0.047 0.000 0.963 31 R CB 1.051 31.378 30.300 0.045 0.000 1.197 31 R HN -0.137 nan 8.270 nan 0.000 0.481 32 F N 2.585 122.521 119.950 -0.024 0.000 2.538 32 F HA 0.152 4.665 4.527 -0.024 0.000 0.371 32 F C -1.575 174.205 175.800 -0.033 0.000 1.087 32 F CA -1.168 56.816 58.000 -0.026 0.000 1.250 32 F CB 0.458 39.440 39.000 -0.029 0.000 1.110 32 F HN 0.236 nan 8.300 nan 0.000 0.570 33 P HA -0.048 nan 4.420 nan 0.000 0.265 33 P C 0.333 177.647 177.300 0.023 0.000 1.193 33 P CA -0.100 62.944 63.100 -0.094 0.000 0.765 33 P CB 0.719 32.310 31.700 -0.182 0.000 0.823 34 L N 3.169 124.368 121.223 -0.039 0.000 2.095 34 L HA 0.040 4.365 4.340 -0.024 0.000 0.204 34 L C 0.815 177.499 176.870 -0.310 0.000 1.080 34 L CA 1.723 56.455 54.840 -0.181 0.000 0.759 34 L CB -0.508 41.367 42.059 -0.308 0.000 0.914 34 L HN 0.398 nan 8.230 nan 0.000 0.439 35 H N -0.637 118.453 119.070 0.034 0.000 2.676 35 H HA 0.340 4.881 4.556 -0.025 0.000 0.352 35 H C -0.724 174.613 175.328 0.015 0.000 1.193 35 H CA -0.853 55.209 56.048 0.024 0.000 1.243 35 H CB 1.094 30.864 29.762 0.013 0.000 1.751 35 H HN 0.097 nan 8.280 nan 0.000 0.567 36 E N 1.273 121.577 120.200 0.173 0.000 2.343 36 E HA 0.341 4.677 4.350 -0.024 0.000 0.269 36 E C -0.507 176.128 176.600 0.060 0.000 1.047 36 E CA -0.466 55.986 56.400 0.087 0.000 0.874 36 E CB 0.764 30.508 29.700 0.074 0.000 1.033 36 E HN 0.487 nan 8.360 nan 0.000 0.409 37 M N 1.281 120.899 119.600 0.029 0.000 2.618 37 M HA 0.511 4.977 4.480 -0.024 0.000 0.281 37 M C -0.866 175.433 176.300 -0.000 0.000 1.267 37 M CA -1.021 54.285 55.300 0.010 0.000 0.845 37 M CB 1.663 34.265 32.600 0.004 0.000 1.732 37 M HN 0.187 nan 8.290 nan 0.000 0.461 38 R N 1.713 122.206 120.500 -0.011 0.000 2.494 38 R HA -0.050 4.275 4.340 -0.024 0.000 0.291 38 R C 0.384 176.678 176.300 -0.010 0.000 0.953 38 R CA 0.947 57.038 56.100 -0.016 0.000 1.098 38 R CB 0.059 30.342 30.300 -0.028 0.000 0.911 38 R HN 0.876 nan 8.270 nan 0.000 0.407 39 D N 2.001 122.397 120.400 -0.006 0.000 2.178 39 D HA -0.228 4.397 4.640 -0.024 0.000 0.201 39 D C 1.050 177.367 176.300 0.028 0.000 0.980 39 D CA 1.478 55.482 54.000 0.007 0.000 0.842 39 D CB 0.031 40.827 40.800 -0.007 0.000 0.948 39 D HN 0.638 nan 8.370 nan 0.000 0.472 40 D N 1.132 121.535 120.400 0.004 0.000 2.144 40 D HA -0.148 4.478 4.640 -0.024 0.000 0.200 40 D C 2.137 178.455 176.300 0.029 0.000 0.978 40 D CA 0.698 54.712 54.000 0.023 0.000 0.833 40 D CB -0.526 40.259 40.800 -0.024 0.000 0.961 40 D HN 0.328 nan 8.370 nan 0.000 0.470 41 V N 1.483 121.381 119.914 -0.026 0.000 2.453 41 V HA -0.125 3.980 4.120 -0.024 0.000 0.247 41 V C 2.927 179.001 176.094 -0.033 0.000 1.048 41 V CA 1.576 63.836 62.300 -0.066 0.000 1.049 41 V CB -0.795 30.984 31.823 -0.074 0.000 0.672 41 V HN 0.359 nan 8.190 nan 0.000 0.457 42 A N -0.142 122.678 122.820 0.000 0.000 1.877 42 A HA -0.239 4.066 4.320 -0.024 0.000 0.216 42 A C 2.120 179.711 177.584 0.011 0.000 1.186 42 A CA 2.044 54.080 52.037 -0.002 0.000 0.620 42 A CB -0.726 18.280 19.000 0.010 0.000 0.822 42 A HN 0.527 nan 8.150 nan 0.000 0.443 43 F N 0.592 120.502 119.950 -0.067 0.000 2.102 43 F HA -0.201 4.317 4.527 -0.014 0.000 0.298 43 F C 2.391 178.150 175.800 -0.070 0.000 1.105 43 F CA 2.332 60.293 58.000 -0.065 0.000 1.239 43 F CB -0.480 38.485 39.000 -0.058 0.000 0.991 43 F HN 0.305 nan 8.300 nan 0.000 0.474 44 Q N 0.982 120.719 119.800 -0.105 0.000 2.061 44 Q HA -0.202 4.123 4.340 -0.024 0.000 0.204 44 Q C 2.137 178.014 176.000 -0.205 0.000 0.984 44 Q CA 2.581 58.279 55.803 -0.175 0.000 0.846 44 Q CB -0.653 28.024 28.738 -0.101 0.000 0.902 44 Q HN 0.649 nan 8.270 nan 0.000 0.421 45 I N -0.367 120.117 120.570 -0.144 0.000 2.163 45 I HA -0.300 3.855 4.170 -0.024 0.000 0.243 45 I C 2.120 178.133 176.117 -0.173 0.000 1.085 45 I CA 1.283 62.517 61.300 -0.109 0.000 1.347 45 I CB -0.300 37.654 38.000 -0.076 0.000 1.044 45 I HN 0.262 nan 8.210 nan 0.000 0.408 46 I N 0.558 120.989 120.570 -0.231 0.000 2.202 46 I HA -0.303 3.853 4.170 -0.024 0.000 0.242 46 I C 2.331 178.227 176.117 -0.368 0.000 1.091 46 I CA 1.676 62.824 61.300 -0.253 0.000 1.368 46 I CB -0.571 37.298 38.000 -0.218 0.000 1.058 46 I HN 0.322 nan 8.210 nan 0.000 0.410 47 N N 1.196 119.550 118.700 -0.577 0.000 2.061 47 N HA -0.253 4.472 4.740 -0.024 0.000 0.193 47 N C 1.474 176.581 175.510 -0.672 0.000 1.030 47 N CA 2.026 54.668 53.050 -0.679 0.000 0.856 47 N CB -0.033 37.907 38.487 -0.913 0.000 1.023 47 N HN 0.196 nan 8.380 nan 0.000 0.424 48 D N 0.126 120.247 120.400 -0.464 0.000 2.144 48 D HA -0.113 4.513 4.640 -0.024 0.000 0.200 48 D C 1.662 177.814 176.300 -0.248 0.000 0.978 48 D CA 0.830 54.625 54.000 -0.341 0.000 0.833 48 D CB -0.329 40.456 40.800 -0.024 0.000 0.961 48 D HN 0.507 nan 8.370 nan 0.000 0.470 49 E N 0.314 120.395 120.200 -0.197 0.000 2.110 49 E HA -0.109 4.226 4.350 -0.024 0.000 0.193 49 E C 2.187 178.709 176.600 -0.129 0.000 0.988 49 E CA 0.389 56.718 56.400 -0.118 0.000 0.804 49 E CB -0.125 29.511 29.700 -0.107 0.000 0.745 49 E HN 0.299 nan 8.360 nan 0.000 0.458 50 L N 0.385 121.471 121.223 -0.229 0.000 2.450 50 L HA -0.178 4.147 4.340 -0.024 0.000 0.224 50 L C 1.837 178.644 176.870 -0.106 0.000 1.149 50 L CA 0.519 55.246 54.840 -0.188 0.000 0.816 50 L CB -0.360 41.555 42.059 -0.239 0.000 0.932 50 L HN 0.169 nan 8.230 nan 0.000 0.449 51 Y N -0.941 119.330 120.300 -0.049 0.000 2.421 51 Y HA -0.131 4.402 4.550 -0.028 0.000 0.292 51 Y C 2.099 177.977 175.900 -0.037 0.000 1.136 51 Y CA 0.300 58.376 58.100 -0.040 0.000 1.255 51 Y CB -0.176 38.261 38.460 -0.039 0.000 0.991 51 Y HN 0.093 nan 8.280 nan 0.000 0.552 52 L N 0.037 121.321 121.223 0.101 0.000 2.622 52 L HA -0.107 4.218 4.340 -0.024 0.000 0.233 52 L C 1.073 177.958 176.870 0.026 0.000 1.156 52 L CA 1.212 56.081 54.840 0.048 0.000 0.866 52 L CB -0.757 41.315 42.059 0.021 0.000 0.980 52 L HN 0.189 nan 8.230 nan 0.000 0.448 53 D N 0.021 120.437 120.400 0.027 0.000 2.277 53 D HA 0.140 4.766 4.640 -0.024 0.000 0.208 53 D C 1.422 177.735 176.300 0.021 0.000 0.962 53 D CA 0.963 54.970 54.000 0.013 0.000 0.865 53 D CB 0.599 41.400 40.800 0.003 0.000 0.939 53 D HN 0.358 nan 8.370 nan 0.000 0.510 54 G N 0.550 109.372 108.800 0.036 0.000 2.627 54 G HA2 -0.235 3.711 3.960 -0.024 0.000 0.214 54 G HA3 -0.235 3.711 3.960 -0.024 0.000 0.214 54 G C -0.370 174.546 174.900 0.028 0.000 1.331 54 G CA -0.485 44.627 45.100 0.020 0.000 0.891 54 G HN 0.238 nan 8.290 nan 0.000 0.539 55 N N 1.004 119.709 118.700 0.008 0.000 2.437 55 N HA 0.552 5.277 4.740 -0.024 0.000 0.259 55 N C 1.337 176.875 175.510 0.047 0.000 0.983 55 N CA 0.624 53.688 53.050 0.024 0.000 0.937 55 N CB 1.315 39.799 38.487 -0.006 0.000 1.122 55 N HN 1.176 nan 8.380 nan 0.000 0.499 56 A N 4.857 127.713 122.820 0.061 0.000 1.972 56 A HA -0.126 4.179 4.320 -0.024 0.000 0.219 56 A C 1.944 179.595 177.584 0.111 0.000 1.169 56 A CA 1.027 53.106 52.037 0.070 0.000 0.635 56 A CB -0.075 18.962 19.000 0.061 0.000 0.810 56 A HN 0.635 nan 8.150 nan 0.000 0.446 57 R N -0.183 120.405 120.500 0.146 0.000 2.148 57 R HA -0.059 4.266 4.340 -0.024 0.000 0.227 57 R C 1.449 177.977 176.300 0.380 0.000 1.103 57 R CA 1.202 57.447 56.100 0.242 0.000 0.983 57 R CB -0.478 29.931 30.300 0.183 0.000 0.874 57 R HN 0.727 nan 8.270 nan 0.000 0.451 58 Q N 0.433 120.378 119.800 0.242 0.000 2.360 58 Q HA 0.046 4.372 4.340 -0.024 0.000 0.202 58 Q C -0.040 176.094 176.000 0.223 0.000 0.915 58 Q CA -0.273 55.659 55.803 0.214 0.000 0.943 58 Q CB 0.192 28.823 28.738 -0.180 0.000 1.064 58 Q HN 0.065 nan 8.270 nan 0.000 0.511 59 N N 1.295 120.074 118.700 0.132 0.000 2.415 59 N HA 0.048 4.773 4.740 -0.024 0.000 0.250 59 N C -0.065 175.456 175.510 0.017 0.000 1.127 59 N CA 0.128 53.223 53.050 0.075 0.000 0.945 59 N CB 0.457 38.973 38.487 0.048 0.000 1.196 59 N HN 0.210 nan 8.380 nan 0.000 0.499 60 L N 2.089 123.308 121.223 -0.006 0.000 2.653 60 L HA 0.272 4.597 4.340 -0.024 0.000 0.231 60 L C 1.628 178.445 176.870 -0.089 0.000 1.153 60 L CA -0.074 54.687 54.840 -0.132 0.000 0.933 60 L CB 0.021 41.956 42.059 -0.206 0.000 1.175 60 L HN 0.480 nan 8.230 nan 0.000 0.473 61 A N -0.835 121.973 122.820 -0.020 0.000 1.997 61 A HA 0.044 4.350 4.320 -0.024 0.000 0.212 61 A C 1.335 178.947 177.584 0.047 0.000 1.178 61 A CA 0.483 52.534 52.037 0.023 0.000 0.698 61 A CB 0.030 19.061 19.000 0.052 0.000 0.842 61 A HN 0.251 nan 8.150 nan 0.000 0.458 62 T N -1.838 112.733 114.554 0.028 0.000 2.904 62 T HA 0.409 4.744 4.350 -0.024 0.000 0.290 62 T C 0.225 174.960 174.700 0.059 0.000 1.018 62 T CA -0.208 61.945 62.100 0.088 0.000 1.075 62 T CB 0.145 69.032 68.868 0.032 0.000 0.986 62 T HN 0.171 nan 8.240 nan 0.000 0.523 63 F N 1.240 121.132 119.950 -0.095 0.000 2.714 63 F HA 0.314 4.827 4.527 -0.025 0.000 0.294 63 F C 1.551 177.227 175.800 -0.208 0.000 1.120 63 F CA -0.596 57.320 58.000 -0.140 0.000 1.398 63 F CB -0.050 38.915 39.000 -0.059 0.000 1.120 63 F HN 0.448 nan 8.300 nan 0.000 0.589 64 C N 1.446 120.768 119.300 0.037 0.000 2.534 64 C HA 0.259 4.704 4.460 -0.024 0.000 0.385 64 C C 0.640 175.595 174.990 -0.058 0.000 1.264 64 C CA -1.202 57.790 59.018 -0.044 0.000 2.342 64 C CB 0.193 27.851 27.740 -0.137 0.000 2.564 64 C HN 0.179 nan 8.230 nan 0.000 0.603 65 Q N 1.521 121.299 119.800 -0.037 0.000 2.286 65 Q HA 0.074 4.400 4.340 -0.024 0.000 0.290 65 Q C 1.077 177.090 176.000 0.021 0.000 1.049 65 Q CA 0.770 56.576 55.803 0.005 0.000 0.923 65 Q CB 0.484 29.240 28.738 0.030 0.000 1.183 65 Q HN 0.980 nan 8.270 nan 0.000 0.383 66 T N -1.482 113.124 114.554 0.086 0.000 3.084 66 T HA 0.340 4.676 4.350 -0.024 0.000 0.270 66 T C -0.189 174.643 174.700 0.219 0.000 1.008 66 T CA -0.529 61.638 62.100 0.112 0.000 0.900 66 T CB 0.152 69.087 68.868 0.113 0.000 1.084 66 T HN 0.530 nan 8.240 nan 0.000 0.538 67 W N 1.321 122.636 121.300 0.025 0.000 3.296 67 W HA 0.568 5.215 4.660 -0.022 0.000 0.314 67 W C -2.254 174.296 176.519 0.052 0.000 1.238 67 W CA -0.603 56.773 57.345 0.052 0.000 1.193 67 W CB 1.570 31.056 29.460 0.045 0.000 1.383 67 W HN -0.057 nan 8.180 nan 0.000 0.545 68 D N 3.056 122.966 120.400 -0.816 0.000 2.756 68 D HA 0.142 4.768 4.640 -0.024 0.000 0.226 68 D C -0.754 174.760 176.300 -1.309 0.000 1.186 68 D CA -0.387 53.190 54.000 -0.704 0.000 0.845 68 D CB 2.119 42.636 40.800 -0.473 0.000 1.610 68 D HN 0.421 nan 8.370 nan 0.000 0.465 69 D N -0.574 119.358 120.400 -0.780 0.000 2.377 69 D HA -0.024 4.601 4.640 -0.024 0.000 0.245 69 D C 0.958 177.137 176.300 -0.201 0.000 1.196 69 D CA -0.255 53.444 54.000 -0.500 0.000 0.962 69 D CB 1.144 41.998 40.800 0.091 0.000 1.127 69 D HN 0.454 nan 8.370 nan 0.000 0.471 70 E N -0.325 119.807 120.200 -0.113 0.000 2.118 70 E HA -0.274 4.061 4.350 -0.024 0.000 0.195 70 E C 1.252 177.798 176.600 -0.089 0.000 0.992 70 E CA 1.150 57.493 56.400 -0.095 0.000 0.804 70 E CB -0.008 29.652 29.700 -0.067 0.000 0.741 70 E HN 0.388 nan 8.360 nan 0.000 0.458 71 N N -0.031 118.581 118.700 -0.147 0.000 2.223 71 N HA -0.122 4.603 4.740 -0.024 0.000 0.185 71 N C 1.755 177.022 175.510 -0.405 0.000 1.016 71 N CA 0.929 53.788 53.050 -0.318 0.000 0.863 71 N CB -0.045 38.111 38.487 -0.551 0.000 0.983 71 N HN 0.093 nan 8.380 nan 0.000 0.429 72 V N 1.004 120.721 119.914 -0.329 0.000 2.453 72 V HA -0.148 3.957 4.120 -0.024 0.000 0.247 72 V C 2.064 178.029 176.094 -0.215 0.000 1.048 72 V CA 1.194 63.329 62.300 -0.274 0.000 1.049 72 V CB -0.529 31.174 31.823 -0.199 0.000 0.672 72 V HN 0.401 nan 8.190 nan 0.000 0.457 73 H N 0.506 119.441 119.070 -0.226 0.000 2.387 73 H HA -0.107 4.438 4.556 -0.018 0.000 0.299 73 H C 2.350 177.592 175.328 -0.144 0.000 1.090 73 H CA 1.546 57.487 56.048 -0.179 0.000 1.332 73 H CB 0.199 29.852 29.762 -0.182 0.000 1.386 73 H HN 0.439 nan 8.280 nan 0.000 0.516 74 K N 0.465 120.843 120.400 -0.036 0.000 2.062 74 K HA -0.050 4.255 4.320 -0.024 0.000 0.205 74 K C 2.408 178.960 176.600 -0.080 0.000 1.051 74 K CA 0.572 56.823 56.287 -0.060 0.000 0.941 74 K CB -0.005 32.448 32.500 -0.077 0.000 0.719 74 K HN 0.160 nan 8.250 nan 0.000 0.440 75 L N 0.610 121.758 121.223 -0.125 0.000 2.083 75 L HA -0.173 4.152 4.340 -0.024 0.000 0.209 75 L C 2.599 179.423 176.870 -0.077 0.000 1.083 75 L CA 0.816 55.596 54.840 -0.101 0.000 0.752 75 L CB -0.328 41.652 42.059 -0.132 0.000 0.899 75 L HN 0.233 nan 8.230 nan 0.000 0.433 76 M N -0.597 118.942 119.600 -0.101 0.000 2.132 76 M HA -0.226 4.239 4.480 -0.024 0.000 0.263 76 M C 1.931 178.189 176.300 -0.070 0.000 1.065 76 M CA 1.738 56.980 55.300 -0.096 0.000 1.122 76 M CB -1.069 31.444 32.600 -0.145 0.000 1.365 76 M HN 0.217 nan 8.290 nan 0.000 0.411 77 D N 0.347 120.711 120.400 -0.059 0.000 2.144 77 D HA -0.111 4.514 4.640 -0.024 0.000 0.199 77 D C 2.062 178.344 176.300 -0.031 0.000 0.984 77 D CA 0.982 54.959 54.000 -0.039 0.000 0.834 77 D CB 0.027 40.811 40.800 -0.026 0.000 0.955 77 D HN 0.285 nan 8.370 nan 0.000 0.465 78 L N -0.354 120.851 121.223 -0.031 0.000 2.275 78 L HA -0.025 4.301 4.340 -0.024 0.000 0.215 78 L C 1.753 178.615 176.870 -0.013 0.000 1.119 78 L CA 0.783 55.613 54.840 -0.017 0.000 0.790 78 L CB 0.009 42.060 42.059 -0.014 0.000 0.919 78 L HN -0.014 nan 8.230 nan 0.000 0.443 79 S N -0.888 114.796 115.700 -0.027 0.000 2.554 79 S HA 0.141 4.596 4.470 -0.024 0.000 0.226 79 S C 1.691 176.257 174.600 -0.055 0.000 0.980 79 S CA -0.300 57.879 58.200 -0.036 0.000 0.939 79 S CB 0.193 63.374 63.200 -0.033 0.000 0.832 79 S HN 0.277 nan 8.310 nan 0.000 0.486 80 I N 2.412 122.955 120.570 -0.046 0.000 2.290 80 I HA -0.284 3.872 4.170 -0.024 0.000 0.253 80 I C 0.750 176.834 176.117 -0.055 0.000 1.112 80 I CA 1.311 62.582 61.300 -0.048 0.000 1.377 80 I CB 0.088 38.067 38.000 -0.035 0.000 1.060 80 I HN 0.257 nan 8.210 nan 0.000 0.428 81 N N 0.611 119.277 118.700 -0.057 0.000 2.187 81 N HA 0.119 4.844 4.740 -0.024 0.000 0.212 81 N C -0.403 175.001 175.510 -0.176 0.000 1.152 81 N CA 0.051 53.060 53.050 -0.069 0.000 0.872 81 N CB 0.408 38.889 38.487 -0.011 0.000 1.025 81 N HN 0.318 nan 8.380 nan 0.000 0.514 82 K N 1.536 121.787 120.400 -0.247 0.000 2.312 82 K HA 0.151 4.457 4.320 -0.024 0.000 0.287 82 K C -0.150 176.092 176.600 -0.595 0.000 1.062 82 K CA -0.383 55.554 56.287 -0.585 0.000 0.934 82 K CB 0.776 33.092 32.500 -0.307 0.000 1.027 82 K HN -0.117 nan 8.250 nan 0.000 0.478 83 N N 2.748 120.866 118.700 -0.970 0.000 2.406 83 N HA -0.015 4.711 4.740 -0.024 0.000 0.251 83 N C 0.302 175.667 175.510 -0.242 0.000 1.069 83 N CA -0.277 52.519 53.050 -0.423 0.000 0.947 83 N CB 0.446 38.788 38.487 -0.242 0.000 1.111 83 N HN 0.662 nan 8.380 nan 0.000 0.497 84 W N 5.004 126.150 121.300 -0.258 0.000 2.342 84 W HA -0.170 4.475 4.660 -0.026 0.000 0.297 84 W C 1.592 177.999 176.519 -0.186 0.000 1.213 84 W CA 0.790 58.021 57.345 -0.190 0.000 1.251 84 W CB -0.042 29.313 29.460 -0.174 0.000 1.136 84 W HN 0.627 nan 8.180 nan 0.000 0.526 85 I N 0.625 121.145 120.570 -0.085 0.000 2.500 85 I HA -0.144 4.011 4.170 -0.024 0.000 0.252 85 I C 0.478 176.377 176.117 -0.364 0.000 1.142 85 I CA 1.284 62.371 61.300 -0.356 0.000 1.451 85 I CB -0.551 37.038 38.000 -0.685 0.000 1.093 85 I HN -0.242 nan 8.210 nan 0.000 0.430 86 D N 2.068 122.364 120.400 -0.174 0.000 2.545 86 D HA -0.002 4.624 4.640 -0.024 0.000 0.227 86 D C 1.295 177.603 176.300 0.013 0.000 1.150 86 D CA 0.029 54.025 54.000 -0.006 0.000 1.046 86 D CB 0.338 41.260 40.800 0.203 0.000 1.098 86 D HN 0.214 nan 8.370 nan 0.000 0.502 87 K N 1.013 121.346 120.400 -0.112 0.000 2.152 87 K HA -0.186 4.119 4.320 -0.024 0.000 0.206 87 K C 1.680 178.358 176.600 0.130 0.000 1.048 87 K CA 0.854 57.067 56.287 -0.123 0.000 0.933 87 K CB 0.188 32.505 32.500 -0.305 0.000 0.721 87 K HN 0.242 nan 8.250 nan 0.000 0.447 88 E N 1.167 121.439 120.200 0.120 0.000 2.170 88 E HA -0.072 4.264 4.350 -0.024 0.000 0.191 88 E C 1.483 178.084 176.600 0.002 0.000 0.981 88 E CA 0.907 57.371 56.400 0.108 0.000 0.830 88 E CB 0.238 29.979 29.700 0.068 0.000 0.775 88 E HN 0.365 nan 8.360 nan 0.000 0.470 89 E N -1.308 118.861 120.200 -0.052 0.000 2.230 89 E HA -0.054 4.281 4.350 -0.024 0.000 0.192 89 E C -0.174 176.085 176.600 -0.569 0.000 0.987 89 E CA 0.505 56.731 56.400 -0.289 0.000 0.841 89 E CB 0.241 29.762 29.700 -0.298 0.000 0.783 89 E HN 0.271 nan 8.360 nan 0.000 0.481 90 Y N -0.542 119.756 120.300 -0.002 0.000 2.495 90 Y HA 0.232 4.767 4.550 -0.025 0.000 0.362 90 Y C -2.066 173.841 175.900 0.011 0.000 0.956 90 Y CA -2.171 55.925 58.100 -0.007 0.000 1.127 90 Y CB 0.863 39.304 38.460 -0.032 0.000 1.173 90 Y HN 0.054 nan 8.280 nan 0.000 0.639 91 P HA -0.235 nan 4.420 nan 0.000 0.216 91 P C 1.671 179.081 177.300 0.182 0.000 1.153 91 P CA 1.426 64.654 63.100 0.213 0.000 0.858 91 P CB 0.545 32.293 31.700 0.081 0.000 0.789 92 Q N -0.625 119.238 119.800 0.106 0.000 2.187 92 Q HA 0.008 4.333 4.340 -0.024 0.000 0.199 92 Q C 2.171 178.203 176.000 0.054 0.000 0.957 92 Q CA 1.433 57.282 55.803 0.077 0.000 0.857 92 Q CB -1.008 27.766 28.738 0.061 0.000 0.929 92 Q HN 0.046 nan 8.270 nan 0.000 0.453 93 S N -0.006 115.735 115.700 0.068 0.000 2.382 93 S HA -0.101 4.354 4.470 -0.024 0.000 0.228 93 S C 1.828 176.405 174.600 -0.037 0.000 1.027 93 S CA 0.908 59.128 58.200 0.033 0.000 0.991 93 S CB -0.391 62.839 63.200 0.050 0.000 0.823 93 S HN 0.574 nan 8.310 nan 0.000 0.469 94 A N 1.567 124.345 122.820 -0.069 0.000 1.898 94 A HA 0.129 4.434 4.320 -0.024 0.000 0.216 94 A C 2.357 179.863 177.584 -0.129 0.000 1.181 94 A CA 1.657 53.564 52.037 -0.217 0.000 0.620 94 A CB -1.090 17.711 19.000 -0.332 0.000 0.819 94 A HN 0.508 nan 8.150 nan 0.000 0.442 95 A N -0.049 122.775 122.820 0.008 0.000 1.902 95 A HA -0.083 4.223 4.320 -0.024 0.000 0.217 95 A C 2.117 179.663 177.584 -0.064 0.000 1.181 95 A CA 1.521 53.576 52.037 0.030 0.000 0.623 95 A CB -0.614 18.435 19.000 0.081 0.000 0.818 95 A HN 0.501 nan 8.150 nan 0.000 0.443 96 I N -0.269 120.230 120.570 -0.119 0.000 2.226 96 I HA -0.261 3.895 4.170 -0.024 0.000 0.245 96 I C 2.290 178.308 176.117 -0.164 0.000 1.100 96 I CA 1.936 63.054 61.300 -0.303 0.000 1.374 96 I CB -0.463 37.370 38.000 -0.278 0.000 1.057 96 I HN 0.491 nan 8.210 nan 0.000 0.413 97 D N 1.262 121.663 120.400 0.001 0.000 2.104 97 D HA -0.203 4.423 4.640 -0.024 0.000 0.194 97 D C 2.246 178.658 176.300 0.185 0.000 0.994 97 D CA 1.374 55.488 54.000 0.190 0.000 0.830 97 D CB -0.067 40.845 40.800 0.187 0.000 0.959 97 D HN 0.241 nan 8.370 nan 0.000 0.452 98 L N -0.241 121.021 121.223 0.064 0.000 2.131 98 L HA -0.111 4.214 4.340 -0.024 0.000 0.210 98 L C 2.751 179.653 176.870 0.053 0.000 1.092 98 L CA 1.017 55.896 54.840 0.065 0.000 0.759 98 L CB -0.366 41.705 42.059 0.020 0.000 0.903 98 L HN 0.079 nan 8.230 nan 0.000 0.435 99 R N -1.061 119.442 120.500 0.004 0.000 2.075 99 R HA -0.130 4.196 4.340 -0.024 0.000 0.232 99 R C 2.415 178.763 176.300 0.079 0.000 1.126 99 R CA 1.573 57.684 56.100 0.017 0.000 0.963 99 R CB -0.709 29.546 30.300 -0.075 0.000 0.858 99 R HN 0.385 nan 8.270 nan 0.000 0.435 100 C N 0.218 119.585 119.300 0.112 0.000 2.413 100 C HA -0.069 4.377 4.460 -0.024 0.000 0.277 100 C C 2.714 177.597 174.990 -0.178 0.000 1.265 100 C CA 0.446 59.537 59.018 0.121 0.000 1.752 100 C CB -0.654 27.196 27.740 0.184 0.000 1.998 100 C HN 0.295 nan 8.230 nan 0.000 0.489 101 V N 1.870 121.746 119.914 -0.063 0.000 2.295 101 V HA -0.219 3.887 4.120 -0.024 0.000 0.246 101 V C 2.210 178.245 176.094 -0.098 0.000 1.049 101 V CA 2.149 64.417 62.300 -0.054 0.000 1.024 101 V CB -0.675 31.239 31.823 0.151 0.000 0.648 101 V HN 0.530 nan 8.190 nan 0.000 0.447 102 N N -0.110 118.562 118.700 -0.046 0.000 2.120 102 N HA -0.122 4.603 4.740 -0.024 0.000 0.188 102 N C 1.795 177.224 175.510 -0.135 0.000 1.024 102 N CA 1.612 54.626 53.050 -0.060 0.000 0.852 102 N CB -0.360 38.117 38.487 -0.016 0.000 1.003 102 N HN 0.450 nan 8.380 nan 0.000 0.424 103 M N -0.139 119.369 119.600 -0.154 0.000 2.132 103 M HA -0.082 4.384 4.480 -0.024 0.000 0.263 103 M C 2.006 178.024 176.300 -0.470 0.000 1.065 103 M CA 1.058 56.196 55.300 -0.271 0.000 1.122 103 M CB -0.252 32.202 32.600 -0.243 0.000 1.365 103 M HN -0.093 nan 8.290 nan 0.000 0.411 104 V N 0.465 120.043 119.914 -0.560 0.000 2.427 104 V HA -0.198 3.907 4.120 -0.024 0.000 0.248 104 V C 2.667 178.265 176.094 -0.827 0.000 1.051 104 V CA 1.871 63.647 62.300 -0.874 0.000 1.048 104 V CB -1.198 30.001 31.823 -1.040 0.000 0.666 104 V HN 0.496 nan 8.190 nan 0.000 0.456 105 A N 0.309 122.875 122.820 -0.422 0.000 1.902 105 A HA -0.297 4.008 4.320 -0.024 0.000 0.217 105 A C 2.045 179.539 177.584 -0.149 0.000 1.181 105 A CA 2.187 54.130 52.037 -0.156 0.000 0.623 105 A CB -0.679 18.278 19.000 -0.072 0.000 0.818 105 A HN 0.607 nan 8.150 nan 0.000 0.443 106 D N -0.601 119.666 120.400 -0.222 0.000 2.097 106 D HA -0.154 4.471 4.640 -0.024 0.000 0.195 106 D C 1.734 177.850 176.300 -0.307 0.000 0.989 106 D CA 1.276 55.151 54.000 -0.209 0.000 0.827 106 D CB -0.239 40.447 40.800 -0.191 0.000 0.966 106 D HN 0.216 nan 8.370 nan 0.000 0.456 107 L N -0.349 120.628 121.223 -0.411 0.000 2.127 107 L HA -0.094 4.232 4.340 -0.024 0.000 0.211 107 L C 1.093 177.794 176.870 -0.283 0.000 1.089 107 L CA 1.277 55.852 54.840 -0.443 0.000 0.757 107 L CB -0.430 41.274 42.059 -0.593 0.000 0.899 107 L HN 0.274 nan 8.230 nan 0.000 0.434 108 W N -0.441 120.674 121.300 -0.309 0.000 3.330 108 W HA 0.230 4.876 4.660 -0.024 0.000 0.348 108 W C 0.554 176.979 176.519 -0.158 0.000 1.205 108 W CA -0.354 56.796 57.345 -0.325 0.000 1.841 108 W CB -1.081 28.211 29.460 -0.281 0.000 1.084 108 W HN 0.317 nan 8.180 nan 0.000 0.665 109 H N -1.354 117.760 119.070 0.073 0.000 2.862 109 H HA -0.153 4.389 4.556 -0.024 0.000 0.290 109 H C 0.902 176.289 175.328 0.098 0.000 1.211 109 H CA 0.933 56.998 56.048 0.029 0.000 1.140 109 H CB -1.681 28.044 29.762 -0.060 0.000 1.341 109 H HN 0.114 nan 8.280 nan 0.000 0.392 110 A N 0.958 123.895 122.820 0.196 0.000 2.425 110 A HA 0.402 4.707 4.320 -0.024 0.000 0.242 110 A C -1.602 175.929 177.584 -0.088 0.000 1.077 110 A CA -0.881 51.092 52.037 -0.107 0.000 0.781 110 A CB 0.241 19.067 19.000 -0.291 0.000 1.020 110 A HN 0.039 nan 8.150 nan 0.000 0.494 111 P HA 0.261 nan 4.420 nan 0.000 0.267 111 P C -0.190 177.071 177.300 -0.065 0.000 1.205 111 P CA 0.425 63.480 63.100 -0.075 0.000 0.765 111 P CB 0.569 32.220 31.700 -0.082 0.000 0.828 112 A N 6.221 129.020 122.820 -0.036 0.000 2.566 112 A HA 0.181 4.487 4.320 -0.024 0.000 0.245 112 A C -1.555 176.011 177.584 -0.030 0.000 1.056 112 A CA -0.637 51.382 52.037 -0.030 0.000 0.757 112 A CB -1.094 17.895 19.000 -0.017 0.000 0.979 112 A HN 0.432 nan 8.150 nan 0.000 0.508 113 P HA 0.169 nan 4.420 nan 0.000 0.276 113 P C 0.213 177.507 177.300 -0.010 0.000 1.243 113 P CA -0.247 62.842 63.100 -0.019 0.000 0.768 113 P CB 1.097 32.791 31.700 -0.012 0.000 0.856 114 K N 2.463 122.857 120.400 -0.009 0.000 2.057 114 K HA -0.140 4.166 4.320 -0.024 0.000 0.207 114 K C 1.412 178.012 176.600 -0.001 0.000 1.049 114 K CA 1.657 57.941 56.287 -0.005 0.000 0.931 114 K CB -0.176 32.321 32.500 -0.006 0.000 0.714 114 K HN 0.543 nan 8.250 nan 0.000 0.440 115 N N -0.060 118.641 118.700 0.002 0.000 2.370 115 N HA -0.004 4.722 4.740 -0.024 0.000 0.198 115 N C 0.839 176.356 175.510 0.012 0.000 1.156 115 N CA 0.907 53.961 53.050 0.007 0.000 0.839 115 N CB 0.446 38.939 38.487 0.009 0.000 0.989 115 N HN 0.275 nan 8.380 nan 0.000 0.468 116 G N -0.590 108.216 108.800 0.009 0.000 2.162 116 G HA2 -0.312 3.633 3.960 -0.024 0.000 0.260 116 G HA3 -0.312 3.633 3.960 -0.024 0.000 0.260 116 G C -0.233 174.678 174.900 0.018 0.000 0.976 116 G CA 0.576 45.683 45.100 0.013 0.000 0.655 116 G HN 0.698 nan 8.290 nan 0.000 0.533 117 Q N 0.021 119.833 119.800 0.020 0.000 2.275 117 Q HA 0.751 5.076 4.340 -0.024 0.000 0.266 117 Q C 0.059 176.078 176.000 0.031 0.000 1.002 117 Q CA 0.357 56.178 55.803 0.030 0.000 0.761 117 Q CB 1.367 30.130 28.738 0.042 0.000 1.255 117 Q HN 1.164 nan 8.270 nan 0.000 0.446 118 A N 2.703 125.543 122.820 0.033 0.000 2.366 118 A HA 0.533 4.838 4.320 -0.024 0.000 0.249 118 A C -0.515 177.127 177.584 0.097 0.000 1.084 118 A CA -0.408 51.652 52.037 0.039 0.000 0.794 118 A CB 0.586 19.597 19.000 0.018 0.000 1.034 118 A HN 0.585 nan 8.150 nan 0.000 0.491 119 V N 1.789 121.780 119.914 0.128 0.000 2.368 119 V HA 0.631 4.736 4.120 -0.024 0.000 0.266 119 V C 0.827 177.176 176.094 0.425 0.000 1.045 119 V CA 0.921 63.353 62.300 0.221 0.000 0.899 119 V CB -0.126 31.809 31.823 0.186 0.000 1.006 119 V HN 1.469 nan 8.190 nan 0.000 0.470 120 G N 3.075 112.160 108.800 0.474 0.000 2.322 120 G HA2 0.563 4.508 3.960 -0.024 0.000 0.295 120 G HA3 0.563 4.508 3.960 -0.024 0.000 0.295 120 G C -1.051 174.184 174.900 0.558 0.000 1.369 120 G CA 0.099 45.578 45.100 0.631 0.000 0.821 120 G HN 0.720 nan 8.290 nan 0.000 0.536 121 T N -0.736 114.169 114.554 0.585 0.000 2.840 121 T HA 0.515 4.850 4.350 -0.024 0.000 0.317 121 T C -1.093 173.886 174.700 0.464 0.000 1.401 121 T CA -0.634 61.787 62.100 0.536 0.000 1.028 121 T CB 1.725 70.894 68.868 0.502 0.000 1.317 121 T HN 0.778 nan 8.240 nan 0.000 0.495 122 N N 0.998 119.894 118.700 0.328 0.000 2.513 122 N HA 0.550 5.276 4.740 -0.024 0.000 0.274 122 N C -0.450 174.780 175.510 -0.467 0.000 1.189 122 N CA 0.028 52.866 53.050 -0.353 0.000 0.975 122 N CB 1.338 39.572 38.487 -0.420 0.000 1.157 122 N HN 0.879 nan 8.380 nan 0.000 0.465 123 T N -0.613 113.557 114.554 -0.641 0.000 2.812 123 T HA 0.348 4.684 4.350 -0.024 0.000 0.294 123 T C 1.398 175.771 174.700 -0.546 0.000 1.159 123 T CA -0.791 60.989 62.100 -0.534 0.000 1.008 123 T CB 0.740 69.423 68.868 -0.308 0.000 1.289 123 T HN 0.245 nan 8.240 nan 0.000 0.514 124 I N 0.860 121.188 120.570 -0.402 0.000 2.394 124 I HA 0.218 4.373 4.170 -0.024 0.000 0.251 124 I C 1.452 177.450 176.117 -0.200 0.000 1.136 124 I CA 1.784 62.911 61.300 -0.288 0.000 1.425 124 I CB -1.228 36.658 38.000 -0.188 0.000 1.079 124 I HN 1.030 nan 8.210 nan 0.000 0.425 125 G N -1.667 107.008 108.800 -0.207 0.000 2.489 125 G HA2 0.199 4.144 3.960 -0.024 0.000 0.305 125 G HA3 0.199 4.144 3.960 -0.024 0.000 0.305 125 G C 0.201 175.020 174.900 -0.136 0.000 1.311 125 G CA 0.087 45.078 45.100 -0.183 0.000 0.813 125 G HN -0.145 nan 8.290 nan 0.000 0.480 126 S N -0.501 115.161 115.700 -0.063 0.000 2.419 126 S HA -0.094 4.362 4.470 -0.024 0.000 0.233 126 S C 2.562 177.102 174.600 -0.100 0.000 1.016 126 S CA 1.827 60.011 58.200 -0.027 0.000 0.974 126 S CB -0.205 63.020 63.200 0.042 0.000 0.786 126 S HN 0.717 nan 8.310 nan 0.000 0.492 127 S N 1.526 117.165 115.700 -0.102 0.000 2.351 127 S HA -0.219 4.236 4.470 -0.024 0.000 0.220 127 S C 1.957 176.451 174.600 -0.175 0.000 1.035 127 S CA 1.847 59.955 58.200 -0.154 0.000 1.031 127 S CB -0.468 62.686 63.200 -0.077 0.000 0.928 127 S HN 0.680 nan 8.310 nan 0.000 0.433 128 E N 0.324 120.449 120.200 -0.126 0.000 2.110 128 E HA -0.122 4.214 4.350 -0.024 0.000 0.193 128 E C 2.097 178.587 176.600 -0.185 0.000 0.988 128 E CA 1.072 57.392 56.400 -0.133 0.000 0.804 128 E CB -0.477 29.142 29.700 -0.135 0.000 0.745 128 E HN 0.591 nan 8.360 nan 0.000 0.458 129 A N 0.625 123.350 122.820 -0.160 0.000 1.883 129 A HA -0.215 4.090 4.320 -0.024 0.000 0.217 129 A C 2.499 179.973 177.584 -0.184 0.000 1.186 129 A CA 1.536 53.502 52.037 -0.118 0.000 0.624 129 A CB -1.022 17.965 19.000 -0.021 0.000 0.822 129 A HN 0.555 nan 8.150 nan 0.000 0.444 130 C N -0.654 118.472 119.300 -0.289 0.000 2.422 130 C HA -0.099 4.346 4.460 -0.024 0.000 0.279 130 C C 2.903 177.406 174.990 -0.812 0.000 1.305 130 C CA 1.253 59.911 59.018 -0.600 0.000 1.757 130 C CB -1.064 26.052 27.740 -1.041 0.000 1.962 130 C HN 0.576 nan 8.230 nan 0.000 0.499 131 M N 0.312 119.562 119.600 -0.583 0.000 2.175 131 M HA -0.051 4.415 4.480 -0.024 0.000 0.264 131 M C 2.090 178.105 176.300 -0.475 0.000 1.063 131 M CA 1.585 56.573 55.300 -0.519 0.000 1.119 131 M CB -1.157 31.323 32.600 -0.200 0.000 1.377 131 M HN 0.396 nan 8.290 nan 0.000 0.415 132 L N -0.557 120.468 121.223 -0.330 0.000 2.027 132 L HA -0.090 4.235 4.340 -0.024 0.000 0.206 132 L C 2.722 179.689 176.870 0.162 0.000 1.074 132 L CA 1.363 56.083 54.840 -0.200 0.000 0.745 132 L CB -1.406 40.488 42.059 -0.276 0.000 0.898 132 L HN 0.358 nan 8.230 nan 0.000 0.433 133 G N -0.282 108.497 108.800 -0.034 0.000 2.422 133 G HA2 -0.172 3.773 3.960 -0.024 0.000 0.218 133 G HA3 -0.172 3.773 3.960 -0.024 0.000 0.218 133 G C 1.582 176.411 174.900 -0.118 0.000 1.146 133 G CA 0.730 45.810 45.100 -0.034 0.000 0.769 133 G HN 0.486 nan 8.290 nan 0.000 0.547 134 G N 0.487 109.026 108.800 -0.434 0.000 2.402 134 G HA2 -0.145 3.800 3.960 -0.024 0.000 0.216 134 G HA3 -0.145 3.800 3.960 -0.024 0.000 0.216 134 G C 1.856 176.652 174.900 -0.173 0.000 1.162 134 G CA 0.821 45.516 45.100 -0.675 0.000 0.777 134 G HN 0.389 nan 8.290 nan 0.000 0.539 135 M N 0.670 120.217 119.600 -0.088 0.000 2.086 135 M HA -0.014 4.451 4.480 -0.024 0.000 0.261 135 M C 3.075 179.586 176.300 0.352 0.000 1.067 135 M CA 1.433 56.833 55.300 0.167 0.000 1.116 135 M CB -0.219 32.410 32.600 0.048 0.000 1.348 135 M HN 0.332 nan 8.290 nan 0.000 0.407 136 A N -0.020 122.986 122.820 0.310 0.000 1.908 136 A HA -0.238 4.067 4.320 -0.024 0.000 0.218 136 A C 2.127 179.938 177.584 0.380 0.000 1.181 136 A CA 1.871 54.091 52.037 0.305 0.000 0.627 136 A CB -0.703 18.558 19.000 0.434 0.000 0.818 136 A HN 0.556 nan 8.150 nan 0.000 0.445 137 M N -0.586 119.218 119.600 0.339 0.000 2.080 137 M HA -0.186 4.279 4.480 -0.024 0.000 0.260 137 M C 2.177 178.702 176.300 0.374 0.000 1.068 137 M CA 2.369 57.852 55.300 0.304 0.000 1.109 137 M CB -0.171 32.538 32.600 0.182 0.000 1.342 137 M HN 0.425 nan 8.290 nan 0.000 0.405 138 K N -0.533 120.125 120.400 0.430 0.000 2.057 138 K HA -0.220 4.086 4.320 -0.024 0.000 0.207 138 K C 2.016 178.933 176.600 0.527 0.000 1.049 138 K CA 1.671 58.244 56.287 0.477 0.000 0.931 138 K CB -0.341 32.461 32.500 0.505 0.000 0.714 138 K HN 0.569 nan 8.250 nan 0.000 0.440 139 W N 1.334 122.793 121.300 0.265 0.000 2.381 139 W HA -0.132 4.514 4.660 -0.024 0.000 0.301 139 W C 2.057 178.681 176.519 0.174 0.000 1.205 139 W CA 1.013 58.477 57.345 0.199 0.000 1.285 139 W CB -0.042 29.493 29.460 0.125 0.000 1.133 139 W HN 0.185 nan 8.180 nan 0.000 0.521 140 R N -1.118 119.630 120.500 0.414 0.000 2.092 140 R HA -0.202 4.124 4.340 -0.024 0.000 0.231 140 R C 1.969 178.424 176.300 0.258 0.000 1.119 140 R CA 1.803 58.072 56.100 0.282 0.000 0.970 140 R CB -1.128 29.329 30.300 0.263 0.000 0.864 140 R HN 0.196 nan 8.270 nan 0.000 0.440 141 W N 2.101 123.481 121.300 0.133 0.000 2.355 141 W HA -0.142 4.504 4.660 -0.024 0.000 0.309 141 W C 1.946 178.496 176.519 0.053 0.000 1.206 141 W CA 1.222 58.623 57.345 0.093 0.000 1.284 141 W CB -0.121 29.402 29.460 0.104 0.000 1.145 141 W HN -0.143 nan 8.180 nan 0.000 0.502 142 R N 0.334 120.846 120.500 0.020 0.000 2.091 142 R HA -0.183 4.143 4.340 -0.024 0.000 0.238 142 R C 2.251 178.388 176.300 -0.272 0.000 1.136 142 R CA 2.130 58.052 56.100 -0.295 0.000 0.959 142 R CB -0.519 29.682 30.300 -0.165 0.000 0.856 142 R HN 0.237 nan 8.270 nan 0.000 0.437 143 K N 0.061 120.395 120.400 -0.109 0.000 2.097 143 K HA -0.152 4.153 4.320 -0.024 0.000 0.206 143 K C 2.219 178.753 176.600 -0.109 0.000 1.049 143 K CA 0.951 57.192 56.287 -0.076 0.000 0.933 143 K CB -0.160 32.348 32.500 0.013 0.000 0.717 143 K HN 0.132 nan 8.250 nan 0.000 0.442 144 R N 0.694 121.123 120.500 -0.119 0.000 2.073 144 R HA -0.093 4.232 4.340 -0.024 0.000 0.234 144 R C 2.280 178.459 176.300 -0.202 0.000 1.134 144 R CA 1.369 57.399 56.100 -0.116 0.000 0.952 144 R CB -0.015 30.247 30.300 -0.064 0.000 0.850 144 R HN 0.095 nan 8.270 nan 0.000 0.433 145 M N 0.785 120.150 119.600 -0.393 0.000 2.117 145 M HA -0.151 4.314 4.480 -0.024 0.000 0.262 145 M C 1.824 177.965 176.300 -0.265 0.000 1.065 145 M CA 1.685 56.736 55.300 -0.416 0.000 1.114 145 M CB -0.855 31.281 32.600 -0.773 0.000 1.361 145 M HN 0.222 nan 8.290 nan 0.000 0.408 146 E N 0.149 120.202 120.200 -0.245 0.000 2.204 146 E HA -0.067 4.268 4.350 -0.024 0.000 0.194 146 E C 1.916 178.451 176.600 -0.108 0.000 0.989 146 E CA 0.946 57.251 56.400 -0.159 0.000 0.824 146 E CB -0.137 29.478 29.700 -0.140 0.000 0.756 146 E HN 0.494 nan 8.360 nan 0.000 0.477 147 A N 0.968 123.727 122.820 -0.101 0.000 2.172 147 A HA 0.040 4.345 4.320 -0.024 0.000 0.216 147 A C 1.989 179.536 177.584 -0.061 0.000 1.154 147 A CA 1.342 53.339 52.037 -0.067 0.000 0.701 147 A CB -0.076 18.891 19.000 -0.054 0.000 0.789 147 A HN 0.230 nan 8.150 nan 0.000 0.465 148 A N -2.215 120.559 122.820 -0.077 0.000 2.571 148 A HA 0.483 4.788 4.320 -0.024 0.000 0.274 148 A C 1.469 179.016 177.584 -0.062 0.000 1.196 148 A CA 0.855 52.855 52.037 -0.062 0.000 0.957 148 A CB -0.617 18.346 19.000 -0.060 0.000 1.150 148 A HN 1.736 nan 8.150 nan 0.000 0.539 149 G N 0.388 109.146 108.800 -0.070 0.000 2.179 149 G HA2 -0.290 3.656 3.960 -0.024 0.000 0.257 149 G HA3 -0.290 3.656 3.960 -0.024 0.000 0.257 149 G C 0.104 174.964 174.900 -0.067 0.000 1.010 149 G CA 0.873 45.935 45.100 -0.063 0.000 0.736 149 G HN 0.623 nan 8.290 nan 0.000 0.513 150 K N 1.114 121.459 120.400 -0.092 0.000 2.118 150 K HA 0.504 4.810 4.320 -0.024 0.000 0.267 150 K C -1.921 174.613 176.600 -0.110 0.000 0.991 150 K CA -1.765 54.471 56.287 -0.086 0.000 0.916 150 K CB 1.433 33.881 32.500 -0.087 0.000 1.041 150 K HN 0.098 nan 8.250 nan 0.000 0.455 151 P HA -0.030 nan 4.420 nan 0.000 0.269 151 P C -0.156 177.106 177.300 -0.063 0.000 1.215 151 P CA -0.013 63.060 63.100 -0.044 0.000 0.780 151 P CB 0.613 32.317 31.700 0.007 0.000 0.898 152 T N -3.449 111.083 114.554 -0.037 0.000 3.380 152 T HA 0.097 4.433 4.350 -0.024 0.000 0.289 152 T C 0.615 175.478 174.700 0.272 0.000 1.012 152 T CA -0.394 61.720 62.100 0.024 0.000 0.944 152 T CB -0.642 68.112 68.868 -0.190 0.000 1.172 152 T HN 0.401 nan 8.240 nan 0.000 0.502 153 D N 0.767 121.283 120.400 0.193 0.000 2.349 153 D HA -0.003 4.622 4.640 -0.024 0.000 0.215 153 D C 0.542 176.937 176.300 0.158 0.000 1.016 153 D CA -0.014 54.076 54.000 0.151 0.000 0.870 153 D CB 0.208 41.060 40.800 0.087 0.000 0.917 153 D HN 0.189 nan 8.370 nan 0.000 0.524 154 K N 1.688 122.221 120.400 0.222 0.000 3.163 154 K HA 0.289 4.595 4.320 -0.024 0.000 0.186 154 K C -2.568 174.049 176.600 0.029 0.000 1.111 154 K CA -1.537 54.824 56.287 0.123 0.000 0.918 154 K CB 1.570 34.135 32.500 0.108 0.000 1.059 154 K HN 0.255 nan 8.250 nan 0.000 0.558 155 P HA 0.088 nan 4.420 nan 0.000 0.275 155 P C -0.631 176.482 177.300 -0.311 0.000 1.228 155 P CA -0.277 62.476 63.100 -0.579 0.000 0.786 155 P CB 0.772 32.008 31.700 -0.775 0.000 0.927 156 N N 1.291 119.788 118.700 -0.338 0.000 2.357 156 N HA 0.605 5.331 4.740 -0.024 0.000 0.284 156 N C -1.784 173.624 175.510 -0.171 0.000 1.236 156 N CA -0.984 51.961 53.050 -0.176 0.000 0.774 156 N CB 1.121 39.540 38.487 -0.112 0.000 1.534 156 N HN 0.231 nan 8.380 nan 0.000 0.478 157 L N 0.865 122.035 121.223 -0.088 0.000 2.381 157 L HA 0.641 4.967 4.340 -0.024 0.000 0.274 157 L C -1.487 175.322 176.870 -0.101 0.000 0.988 157 L CA -0.831 53.965 54.840 -0.075 0.000 0.824 157 L CB 1.907 43.985 42.059 0.031 0.000 1.263 157 L HN 0.553 nan 8.230 nan 0.000 0.410 158 V N 4.474 124.314 119.914 -0.123 0.000 2.439 158 V HA 0.679 4.785 4.120 -0.024 0.000 0.282 158 V C 0.169 176.170 176.094 -0.154 0.000 1.039 158 V CA -0.139 62.087 62.300 -0.123 0.000 0.913 158 V CB 0.982 32.734 31.823 -0.117 0.000 0.983 158 V HN 1.072 nan 8.190 nan 0.000 0.460 159 C N 2.439 121.657 119.300 -0.137 0.000 3.284 159 C HA 0.966 5.411 4.460 -0.024 0.000 0.348 159 C C 0.457 175.400 174.990 -0.079 0.000 1.448 159 C CA -0.042 58.885 59.018 -0.152 0.000 1.223 159 C CB 1.157 28.746 27.740 -0.252 0.000 1.588 159 C HN 0.994 nan 8.230 nan 0.000 0.451 160 G N -0.469 108.304 108.800 -0.044 0.000 2.940 160 G HA2 0.761 4.707 3.960 -0.024 0.000 0.164 160 G HA3 0.761 4.707 3.960 -0.024 0.000 0.164 160 G C -2.537 172.395 174.900 0.053 0.000 1.326 160 G CA -0.760 44.352 45.100 0.021 0.000 1.020 160 G HN 0.805 nan 8.290 nan 0.000 0.586 161 P HA 0.139 nan 4.420 nan 0.000 0.244 161 P C 0.499 177.985 177.300 0.310 0.000 1.723 161 P CA -0.065 63.129 63.100 0.157 0.000 1.110 161 P CB -0.334 31.465 31.700 0.165 0.000 1.972 162 V N -0.396 119.673 119.914 0.260 0.000 3.185 162 V HA 0.228 4.334 4.120 -0.024 0.000 0.305 162 V C 0.674 177.040 176.094 0.452 0.000 1.090 162 V CA -0.700 61.788 62.300 0.313 0.000 1.107 162 V CB 0.432 32.396 31.823 0.234 0.000 1.061 162 V HN 0.246 nan 8.190 nan 0.000 0.480 163 Q N 0.612 120.642 119.800 0.385 0.000 2.368 163 Q HA 0.193 4.519 4.340 -0.024 0.000 0.237 163 Q C 0.789 176.976 176.000 0.311 0.000 0.987 163 Q CA -0.366 55.577 55.803 0.233 0.000 0.896 163 Q CB 1.288 30.066 28.738 0.067 0.000 1.241 163 Q HN 0.868 nan 8.270 nan 0.000 0.485 164 I N 2.996 123.672 120.570 0.177 0.000 2.502 164 I HA -0.315 3.841 4.170 -0.024 0.000 0.258 164 I C 2.223 178.429 176.117 0.148 0.000 1.172 164 I CA 1.529 62.916 61.300 0.145 0.000 1.430 164 I CB -0.445 37.556 38.000 0.002 0.000 1.086 164 I HN 0.822 nan 8.210 nan 0.000 0.440 165 C N -1.484 117.841 119.300 0.043 0.000 2.419 165 C HA -0.127 4.319 4.460 -0.024 0.000 0.283 165 C C 2.392 177.302 174.990 -0.133 0.000 1.373 165 C CA -0.014 58.945 59.018 -0.098 0.000 1.781 165 C CB -2.242 25.350 27.740 -0.247 0.000 1.886 165 C HN 0.673 nan 8.230 nan 0.000 0.520 166 W N 0.017 121.404 121.300 0.145 0.000 2.518 166 W HA 0.090 4.736 4.660 -0.024 0.000 0.273 166 W C 2.900 179.488 176.519 0.115 0.000 1.247 166 W CA 0.984 58.409 57.345 0.134 0.000 1.288 166 W CB -0.516 28.977 29.460 0.056 0.000 1.107 166 W HN 0.477 nan 8.180 nan 0.000 0.586 167 H N 0.212 119.412 119.070 0.217 0.000 2.428 167 H HA -0.036 4.505 4.556 -0.024 0.000 0.296 167 H C 1.758 177.060 175.328 -0.044 0.000 1.062 167 H CA 1.225 57.330 56.048 0.095 0.000 1.350 167 H CB 0.102 29.895 29.762 0.052 0.000 1.403 167 H HN 0.241 nan 8.280 nan 0.000 0.533 168 K N 0.338 120.738 120.400 -0.001 0.000 2.103 168 K HA -0.105 4.200 4.320 -0.024 0.000 0.204 168 K C 2.037 178.418 176.600 -0.364 0.000 1.052 168 K CA 0.859 56.893 56.287 -0.421 0.000 0.945 168 K CB -0.171 32.118 32.500 -0.352 0.000 0.722 168 K HN 0.089 nan 8.250 nan 0.000 0.443 169 F N 2.202 122.116 119.950 -0.060 0.000 2.102 169 F HA -0.185 4.327 4.527 -0.024 0.000 0.298 169 F C 2.184 178.156 175.800 0.286 0.000 1.105 169 F CA 1.390 59.518 58.000 0.212 0.000 1.239 169 F CB -0.523 38.510 39.000 0.055 0.000 0.991 169 F HN -0.038 nan 8.300 nan 0.000 0.474 170 A N 0.354 123.144 122.820 -0.051 0.000 1.908 170 A HA -0.212 4.093 4.320 -0.024 0.000 0.218 170 A C 2.246 179.751 177.584 -0.132 0.000 1.181 170 A CA 1.954 53.902 52.037 -0.148 0.000 0.627 170 A CB -0.785 18.217 19.000 0.003 0.000 0.818 170 A HN 0.438 nan 8.150 nan 0.000 0.445 171 R N -1.351 119.075 120.500 -0.124 0.000 2.057 171 R HA -0.078 4.247 4.340 -0.024 0.000 0.229 171 R C 1.875 178.180 176.300 0.009 0.000 1.136 171 R CA 1.699 57.748 56.100 -0.086 0.000 0.952 171 R CB -0.770 29.445 30.300 -0.142 0.000 0.848 171 R HN 0.540 nan 8.270 nan 0.000 0.430 172 Y N -1.389 118.870 120.300 -0.070 0.000 2.293 172 Y HA -0.135 4.401 4.550 -0.025 0.000 0.291 172 Y C 1.354 177.005 175.900 -0.415 0.000 1.137 172 Y CA 0.254 58.192 58.100 -0.269 0.000 1.202 172 Y CB -0.412 37.818 38.460 -0.382 0.000 0.990 172 Y HN 0.202 nan 8.280 nan 0.000 0.537 173 W N 0.902 122.148 121.300 -0.090 0.000 3.067 173 W HA 0.164 4.809 4.660 -0.025 0.000 0.417 173 W C -0.363 176.064 176.519 -0.153 0.000 1.029 173 W CA -0.154 57.106 57.345 -0.141 0.000 1.992 173 W CB -0.033 29.244 29.460 -0.304 0.000 1.122 173 W HN 0.115 nan 8.180 nan 0.000 0.681 174 D N 0.959 121.365 120.400 0.011 0.000 2.697 174 D HA -0.156 4.470 4.640 -0.024 0.000 0.235 174 D C -0.341 175.950 176.300 -0.016 0.000 1.167 174 D CA 0.794 54.795 54.000 0.002 0.000 0.656 174 D CB -1.515 39.300 40.800 0.026 0.000 1.025 174 D HN -0.112 nan 8.370 nan 0.000 0.419 175 V N 0.543 120.412 119.914 -0.075 0.000 2.495 175 V HA 0.195 4.300 4.120 -0.024 0.000 0.298 175 V C 0.616 176.675 176.094 -0.057 0.000 1.031 175 V CA -0.859 61.394 62.300 -0.078 0.000 0.871 175 V CB 2.221 33.981 31.823 -0.104 0.000 0.988 175 V HN 0.143 nan 8.190 nan 0.000 0.432 176 E N 3.725 123.893 120.200 -0.053 0.000 2.217 176 E HA 0.221 4.556 4.350 -0.024 0.000 0.279 176 E C -0.878 175.699 176.600 -0.040 0.000 1.068 176 E CA -0.611 55.765 56.400 -0.040 0.000 0.882 176 E CB 1.005 30.682 29.700 -0.038 0.000 1.039 176 E HN 0.545 nan 8.360 nan 0.000 0.418 177 L N 5.901 127.103 121.223 -0.036 0.000 2.278 177 L HA 0.220 4.546 4.340 -0.024 0.000 0.287 177 L C -0.282 176.551 176.870 -0.062 0.000 1.072 177 L CA 0.121 54.930 54.840 -0.052 0.000 0.819 177 L CB 0.460 42.459 42.059 -0.100 0.000 1.176 177 L HN 0.508 nan 8.230 nan 0.000 0.435 178 R N 4.776 125.236 120.500 -0.067 0.000 2.522 178 R HA 0.198 4.524 4.340 -0.024 0.000 0.290 178 R C -0.532 175.726 176.300 -0.069 0.000 1.216 178 R CA -0.225 55.839 56.100 -0.061 0.000 1.250 178 R CB 0.386 30.650 30.300 -0.060 0.000 1.143 178 R HN 0.595 nan 8.270 nan 0.000 0.553 179 E N 3.967 124.130 120.200 -0.062 0.000 2.105 179 E HA 0.127 4.463 4.350 -0.024 0.000 0.285 179 E C -0.364 176.215 176.600 -0.035 0.000 1.055 179 E CA -0.455 55.913 56.400 -0.053 0.000 0.843 179 E CB 0.688 30.364 29.700 -0.040 0.000 1.067 179 E HN 0.427 nan 8.360 nan 0.000 0.398 180 I N 8.095 128.642 120.570 -0.038 0.000 2.517 180 I HA 0.109 4.264 4.170 -0.024 0.000 0.285 180 I C -1.692 174.404 176.117 -0.034 0.000 1.106 180 I CA -1.657 59.620 61.300 -0.038 0.000 1.402 180 I CB 0.465 38.441 38.000 -0.041 0.000 1.399 180 I HN 0.401 nan 8.210 nan 0.000 0.535 181 P HA 0.149 nan 4.420 nan 0.000 0.274 181 P C -0.650 176.611 177.300 -0.065 0.000 1.231 181 P CA -0.473 62.601 63.100 -0.044 0.000 0.790 181 P CB 0.833 32.511 31.700 -0.037 0.000 0.951 182 M N 2.038 121.600 119.600 -0.064 0.000 2.248 182 M HA 0.199 4.664 4.480 -0.024 0.000 0.337 182 M C 0.939 177.191 176.300 -0.079 0.000 1.121 182 M CA 0.787 56.043 55.300 -0.074 0.000 1.155 182 M CB 0.221 32.794 32.600 -0.045 0.000 1.514 182 M HN 0.224 nan 8.290 nan 0.000 0.452 183 R N 1.955 122.391 120.500 -0.106 0.000 2.744 183 R HA 0.465 4.791 4.340 -0.024 0.000 0.279 183 R C -2.716 173.541 176.300 -0.072 0.000 0.977 183 R CA -2.058 53.990 56.100 -0.085 0.000 0.906 183 R CB 1.493 31.732 30.300 -0.102 0.000 1.197 183 R HN 0.292 nan 8.270 nan 0.000 0.463 184 P HA -0.047 nan 4.420 nan 0.000 0.260 184 P C 0.590 177.878 177.300 -0.020 0.000 1.185 184 P CA 1.288 64.375 63.100 -0.021 0.000 0.763 184 P CB 0.437 32.129 31.700 -0.013 0.000 0.776 185 G N 2.635 111.438 108.800 0.004 0.000 2.176 185 G HA2 -0.279 3.666 3.960 -0.024 0.000 0.253 185 G HA3 -0.279 3.666 3.960 -0.024 0.000 0.253 185 G C 0.223 175.122 174.900 -0.001 0.000 0.979 185 G CA 0.132 45.248 45.100 0.027 0.000 0.641 185 G HN 0.622 nan 8.290 nan 0.000 0.530 186 Q N -0.118 119.613 119.800 -0.116 0.000 3.825 186 Q HA 0.451 4.776 4.340 -0.024 0.000 0.218 186 Q C 0.301 176.016 176.000 -0.476 0.000 0.882 186 Q CA -0.495 55.037 55.803 -0.452 0.000 0.766 186 Q CB -0.024 28.443 28.738 -0.453 0.000 1.497 186 Q HN 0.348 nan 8.270 nan 0.000 0.428 187 L N 3.706 124.830 121.223 -0.165 0.000 2.939 187 L HA 0.336 4.661 4.340 -0.024 0.000 0.239 187 L C -0.536 176.433 176.870 0.165 0.000 1.325 187 L CA 0.066 54.919 54.840 0.023 0.000 1.170 187 L CB -1.025 41.126 42.059 0.153 0.000 1.538 187 L HN 0.357 nan 8.230 nan 0.000 0.452 188 F N -2.901 117.075 119.950 0.044 0.000 2.877 188 F HA 0.426 4.939 4.527 -0.024 0.000 0.319 188 F C -0.582 175.235 175.800 0.029 0.000 1.174 188 F CA -1.584 56.443 58.000 0.044 0.000 0.903 188 F CB 1.366 40.399 39.000 0.055 0.000 1.357 188 F HN -0.182 nan 8.300 nan 0.000 0.472 189 M N 3.890 123.653 119.600 0.272 0.000 2.135 189 M HA 0.255 4.721 4.480 -0.024 0.000 0.345 189 M C -1.017 175.447 176.300 0.272 0.000 1.340 189 M CA -0.337 55.049 55.300 0.145 0.000 1.162 189 M CB 0.081 32.732 32.600 0.085 0.000 1.570 189 M HN 0.692 nan 8.290 nan 0.000 0.454 190 D N 5.507 126.003 120.400 0.160 0.000 2.312 190 D HA 0.304 4.929 4.640 -0.024 0.000 0.248 190 D C -2.469 173.897 176.300 0.110 0.000 1.086 190 D CA -1.629 52.505 54.000 0.225 0.000 0.948 190 D CB 0.552 41.431 40.800 0.132 0.000 1.162 190 D HN 0.292 nan 8.370 nan 0.000 0.446 191 P HA -0.195 nan 4.420 nan 0.000 0.215 191 P C 1.502 178.808 177.300 0.010 0.000 1.157 191 P CA 1.759 64.888 63.100 0.050 0.000 0.874 191 P CB 0.152 31.890 31.700 0.064 0.000 0.790 192 K N -0.121 120.291 120.400 0.020 0.000 2.009 192 K HA -0.166 4.139 4.320 -0.024 0.000 0.210 192 K C 2.179 178.765 176.600 -0.024 0.000 1.049 192 K CA 1.504 57.791 56.287 0.001 0.000 0.929 192 K CB -0.162 32.344 32.500 0.010 0.000 0.714 192 K HN -0.047 nan 8.250 nan 0.000 0.440 193 R N 0.131 120.616 120.500 -0.025 0.000 2.115 193 R HA -0.077 4.248 4.340 -0.024 0.000 0.230 193 R C 2.436 178.700 176.300 -0.061 0.000 1.111 193 R CA 1.378 57.454 56.100 -0.041 0.000 0.976 193 R CB -0.278 29.994 30.300 -0.045 0.000 0.870 193 R HN 0.394 nan 8.270 nan 0.000 0.445 194 M N 0.825 120.389 119.600 -0.060 0.000 2.065 194 M HA -0.188 4.277 4.480 -0.024 0.000 0.259 194 M C 1.801 177.999 176.300 -0.171 0.000 1.069 194 M CA 1.750 56.993 55.300 -0.095 0.000 1.110 194 M CB 0.021 32.576 32.600 -0.074 0.000 1.328 194 M HN 0.032 nan 8.290 nan 0.000 0.405 195 I N 0.963 121.417 120.570 -0.193 0.000 2.286 195 I HA -0.267 3.889 4.170 -0.024 0.000 0.248 195 I C 2.141 178.113 176.117 -0.242 0.000 1.115 195 I CA 1.647 62.749 61.300 -0.330 0.000 1.392 195 I CB -1.612 36.255 38.000 -0.221 0.000 1.065 195 I HN 0.446 nan 8.210 nan 0.000 0.418 196 E N 0.982 121.112 120.200 -0.116 0.000 2.118 196 E HA -0.190 4.146 4.350 -0.024 0.000 0.195 196 E C 2.221 178.782 176.600 -0.065 0.000 0.992 196 E CA 1.463 57.827 56.400 -0.060 0.000 0.804 196 E CB -0.139 29.539 29.700 -0.035 0.000 0.741 196 E HN 0.505 nan 8.360 nan 0.000 0.458 197 A N 0.644 123.408 122.820 -0.092 0.000 2.067 197 A HA -0.022 4.283 4.320 -0.024 0.000 0.217 197 A C 1.190 178.719 177.584 -0.092 0.000 1.156 197 A CA 0.110 52.100 52.037 -0.078 0.000 0.683 197 A CB -0.094 18.858 19.000 -0.078 0.000 0.808 197 A HN 0.230 nan 8.150 nan 0.000 0.455 198 C N 1.622 120.817 119.300 -0.176 0.000 2.601 198 C HA 0.548 4.994 4.460 -0.024 0.000 0.409 198 C C 0.170 175.165 174.990 0.008 0.000 1.293 198 C CA -0.131 58.775 59.018 -0.187 0.000 2.101 198 C CB -0.141 27.290 27.740 -0.516 0.000 2.639 198 C HN 0.772 nan 8.230 nan 0.000 0.592 199 D N 0.033 120.517 120.400 0.139 0.000 2.838 199 D HA 0.150 4.775 4.640 -0.024 0.000 0.334 199 D C 0.503 176.959 176.300 0.260 0.000 1.315 199 D CA -0.660 53.492 54.000 0.253 0.000 0.917 199 D CB 0.079 40.973 40.800 0.156 0.000 1.435 199 D HN 0.582 nan 8.370 nan 0.000 0.517 200 E N -0.242 120.096 120.200 0.230 0.000 2.333 200 E HA -0.185 4.151 4.350 -0.024 0.000 0.198 200 E C 0.411 177.255 176.600 0.407 0.000 1.007 200 E CA 1.125 57.679 56.400 0.257 0.000 0.845 200 E CB -0.656 29.149 29.700 0.176 0.000 0.766 200 E HN 0.447 nan 8.360 nan 0.000 0.507 201 N N 0.203 119.092 118.700 0.315 0.000 2.336 201 N HA 0.022 4.747 4.740 -0.024 0.000 0.189 201 N C -0.583 174.841 175.510 -0.143 0.000 1.113 201 N CA 0.076 53.310 53.050 0.307 0.000 0.858 201 N CB 0.602 39.196 38.487 0.179 0.000 0.970 201 N HN -0.011 nan 8.380 nan 0.000 0.471 202 T N 1.593 116.126 114.554 -0.035 0.000 2.752 202 T HA 0.096 4.432 4.350 -0.024 0.000 0.295 202 T C 1.711 176.247 174.700 -0.274 0.000 0.923 202 T CA -0.199 61.805 62.100 -0.160 0.000 1.112 202 T CB 0.529 69.380 68.868 -0.029 0.000 0.884 202 T HN 0.252 nan 8.240 nan 0.000 0.525 203 I N 0.830 121.115 120.570 -0.475 0.000 2.761 203 I HA 0.389 4.545 4.170 -0.024 0.000 0.261 203 I C 0.946 177.059 176.117 -0.007 0.000 1.198 203 I CA 0.157 61.265 61.300 -0.320 0.000 1.482 203 I CB -0.069 37.773 38.000 -0.265 0.000 1.100 203 I HN 0.661 nan 8.210 nan 0.000 0.445 204 G N 0.134 108.909 108.800 -0.041 0.000 2.328 204 G HA2 0.433 4.378 3.960 -0.024 0.000 0.295 204 G HA3 0.433 4.378 3.960 -0.024 0.000 0.295 204 G C -1.771 173.088 174.900 -0.069 0.000 1.413 204 G CA -0.449 44.647 45.100 -0.007 0.000 0.817 204 G HN -0.076 nan 8.290 nan 0.000 0.546 205 V N -0.131 119.739 119.914 -0.072 0.000 2.555 205 V HA 0.633 4.738 4.120 -0.024 0.000 0.302 205 V C -0.213 175.790 176.094 -0.152 0.000 1.038 205 V CA -0.681 61.549 62.300 -0.116 0.000 0.887 205 V CB 1.765 33.534 31.823 -0.091 0.000 0.991 205 V HN 0.715 nan 8.190 nan 0.000 0.434 206 V N 6.959 126.726 119.914 -0.245 0.000 2.266 206 V HA 0.332 4.437 4.120 -0.024 0.000 0.271 206 V C -2.466 173.487 176.094 -0.235 0.000 1.032 206 V CA -1.707 60.396 62.300 -0.328 0.000 0.806 206 V CB 1.324 32.682 31.823 -0.775 0.000 1.052 206 V HN 0.744 nan 8.190 nan 0.000 0.449 207 P HA 0.267 nan 4.420 nan 0.000 0.276 207 P C -0.136 177.142 177.300 -0.037 0.000 1.230 207 P CA 0.006 63.070 63.100 -0.061 0.000 0.776 207 P CB 0.584 32.261 31.700 -0.039 0.000 0.888 208 T N 3.813 118.375 114.554 0.013 0.000 2.832 208 T HA 0.231 4.567 4.350 -0.024 0.000 0.313 208 T C -0.242 174.517 174.700 0.098 0.000 1.035 208 T CA -0.030 62.106 62.100 0.059 0.000 0.950 208 T CB -0.619 68.298 68.868 0.081 0.000 0.984 208 T HN 0.165 nan 8.240 nan 0.000 0.486 209 F N 3.717 123.592 119.950 -0.125 0.000 2.659 209 F HA 0.490 5.002 4.527 -0.024 0.000 0.360 209 F C 1.061 176.855 175.800 -0.009 0.000 1.218 209 F CA -0.799 57.069 58.000 -0.219 0.000 1.317 209 F CB -0.596 38.096 39.000 -0.512 0.000 1.697 209 F HN 0.771 nan 8.300 nan 0.000 0.637 210 G N 2.743 111.550 108.800 0.012 0.000 2.328 210 G HA2 0.008 3.954 3.960 -0.024 0.000 0.244 210 G HA3 0.008 3.954 3.960 -0.024 0.000 0.244 210 G C -1.165 173.761 174.900 0.045 0.000 1.317 210 G CA -0.782 44.312 45.100 -0.009 0.000 1.261 210 G HN 0.308 nan 8.290 nan 0.000 0.648 211 V N 2.206 122.146 119.914 0.044 0.000 2.529 211 V HA 0.253 4.359 4.120 -0.024 0.000 0.292 211 V C 2.245 178.388 176.094 0.080 0.000 1.028 211 V CA 0.985 63.341 62.300 0.093 0.000 1.074 211 V CB 0.751 32.672 31.823 0.165 0.000 0.958 211 V HN 1.044 nan 8.190 nan 0.000 0.481 212 T N 2.208 116.695 114.554 -0.112 0.000 2.684 212 T HA -0.261 4.074 4.350 -0.024 0.000 0.267 212 T C 1.453 176.107 174.700 -0.077 0.000 1.036 212 T CA 1.940 63.898 62.100 -0.236 0.000 1.148 212 T CB -0.594 67.811 68.868 -0.773 0.000 0.863 212 T HN 0.597 nan 8.240 nan 0.000 0.436 213 Y N 2.715 123.124 120.300 0.181 0.000 2.274 213 Y HA 0.020 4.556 4.550 -0.023 0.000 0.290 213 Y C 3.045 179.127 175.900 0.304 0.000 1.145 213 Y CA 1.215 59.479 58.100 0.274 0.000 1.203 213 Y CB -0.824 37.774 38.460 0.230 0.000 0.984 213 Y HN 0.578 nan 8.280 nan 0.000 0.533 214 T N -6.303 108.442 114.554 0.317 0.000 2.954 214 T HA 0.460 4.796 4.350 -0.024 0.000 0.252 214 T C 1.768 176.540 174.700 0.120 0.000 0.983 214 T CA 0.403 62.626 62.100 0.204 0.000 0.941 214 T CB 0.319 69.297 68.868 0.183 0.000 1.141 214 T HN 0.385 nan 8.240 nan 0.000 0.500 215 G N 1.916 110.782 108.800 0.110 0.000 2.176 215 G HA2 -0.219 3.727 3.960 -0.024 0.000 0.253 215 G HA3 -0.219 3.727 3.960 -0.024 0.000 0.253 215 G C -0.145 174.670 174.900 -0.141 0.000 0.979 215 G CA -0.070 45.038 45.100 0.013 0.000 0.641 215 G HN 0.627 nan 8.290 nan 0.000 0.530 216 N N -0.180 118.458 118.700 -0.104 0.000 2.508 216 N HA 0.548 5.274 4.740 -0.024 0.000 0.285 216 N C -0.397 174.947 175.510 -0.276 0.000 1.144 216 N CA -0.348 52.570 53.050 -0.220 0.000 0.978 216 N CB 0.527 38.960 38.487 -0.091 0.000 1.180 216 N HN 0.074 nan 8.380 nan 0.000 0.484 217 Y N 0.457 120.488 120.300 -0.448 0.000 2.309 217 Y HA 0.131 4.667 4.550 -0.025 0.000 0.327 217 Y C 0.975 176.455 175.900 -0.700 0.000 1.172 217 Y CA -0.313 57.370 58.100 -0.694 0.000 1.280 217 Y CB 0.451 38.259 38.460 -1.087 0.000 1.234 217 Y HN 0.378 nan 8.280 nan 0.000 0.512 218 E N 2.979 123.044 120.200 -0.226 0.000 2.081 218 E HA 0.280 4.615 4.350 -0.024 0.000 0.281 218 E C -1.425 175.085 176.600 -0.149 0.000 0.986 218 E CA -0.555 55.741 56.400 -0.173 0.000 0.796 218 E CB 0.349 30.053 29.700 0.007 0.000 1.085 218 E HN 0.355 nan 8.360 nan 0.000 0.398 219 F N 5.963 125.947 119.950 0.057 0.000 2.471 219 F HA 0.190 4.703 4.527 -0.024 0.000 0.365 219 F C -1.484 174.331 175.800 0.024 0.000 1.095 219 F CA -2.093 55.948 58.000 0.067 0.000 1.174 219 F CB 0.820 39.839 39.000 0.032 0.000 1.105 219 F HN 0.516 nan 8.300 nan 0.000 0.535 220 P HA -0.196 nan 4.420 nan 0.000 0.221 220 P C 1.618 178.972 177.300 0.090 0.000 1.150 220 P CA 0.831 63.968 63.100 0.062 0.000 0.800 220 P CB 0.225 31.900 31.700 -0.042 0.000 0.787 221 Q N 0.511 120.360 119.800 0.083 0.000 2.014 221 Q HA -0.158 4.167 4.340 -0.024 0.000 0.207 221 Q C -0.663 175.386 176.000 0.081 0.000 0.993 221 Q CA 2.851 58.677 55.803 0.039 0.000 0.850 221 Q CB -1.997 26.737 28.738 -0.007 0.000 0.916 221 Q HN 0.172 nan 8.270 nan 0.000 0.417 222 P HA -0.142 nan 4.420 nan 0.000 0.216 222 P C 0.917 178.273 177.300 0.092 0.000 1.150 222 P CA 1.274 64.422 63.100 0.081 0.000 0.837 222 P CB -0.088 31.664 31.700 0.087 0.000 0.786 223 L N -1.913 119.371 121.223 0.101 0.000 2.056 223 L HA -0.189 4.136 4.340 -0.024 0.000 0.207 223 L C 2.728 179.641 176.870 0.072 0.000 1.078 223 L CA 1.340 56.222 54.840 0.071 0.000 0.749 223 L CB -1.243 40.850 42.059 0.057 0.000 0.901 223 L HN 0.144 nan 8.230 nan 0.000 0.433 224 H N 0.823 119.897 119.070 0.006 0.000 2.352 224 H HA -0.196 4.345 4.556 -0.024 0.000 0.299 224 H C 1.664 177.002 175.328 0.017 0.000 1.097 224 H CA 2.015 58.064 56.048 0.002 0.000 1.311 224 H CB 0.102 29.854 29.762 -0.017 0.000 1.377 224 H HN 0.348 nan 8.280 nan 0.000 0.504 225 D N 0.410 120.927 120.400 0.195 0.000 2.123 225 D HA -0.113 4.512 4.640 -0.024 0.000 0.196 225 D C 2.244 178.592 176.300 0.080 0.000 0.992 225 D CA 1.219 55.300 54.000 0.134 0.000 0.833 225 D CB -0.453 40.401 40.800 0.091 0.000 0.954 225 D HN 0.468 nan 8.370 nan 0.000 0.455 226 A N 0.781 123.637 122.820 0.061 0.000 1.933 226 A HA -0.108 4.198 4.320 -0.024 0.000 0.218 226 A C 2.406 180.022 177.584 0.054 0.000 1.175 226 A CA 0.832 52.897 52.037 0.047 0.000 0.628 226 A CB -0.717 18.294 19.000 0.017 0.000 0.814 226 A HN 0.200 nan 8.150 nan 0.000 0.444 227 L N -0.716 120.511 121.223 0.006 0.000 2.141 227 L HA -0.151 4.175 4.340 -0.024 0.000 0.209 227 L C 1.968 178.874 176.870 0.061 0.000 1.094 227 L CA 1.110 55.965 54.840 0.025 0.000 0.763 227 L CB -0.573 41.433 42.059 -0.088 0.000 0.908 227 L HN 0.279 nan 8.230 nan 0.000 0.437 228 D N 0.242 120.648 120.400 0.009 0.000 2.097 228 D HA -0.196 4.429 4.640 -0.024 0.000 0.195 228 D C 2.132 178.473 176.300 0.068 0.000 0.989 228 D CA 1.160 55.180 54.000 0.032 0.000 0.827 228 D CB 0.041 40.877 40.800 0.059 0.000 0.966 228 D HN 0.167 nan 8.370 nan 0.000 0.456 229 K N -0.522 119.932 120.400 0.090 0.000 2.057 229 K HA -0.141 4.164 4.320 -0.024 0.000 0.206 229 K C 2.112 178.791 176.600 0.132 0.000 1.050 229 K CA 0.590 56.933 56.287 0.094 0.000 0.935 229 K CB -0.237 32.319 32.500 0.095 0.000 0.715 229 K HN 0.005 nan 8.250 nan 0.000 0.439 230 F N 2.257 122.207 119.950 -0.000 0.000 2.095 230 F HA -0.214 4.298 4.527 -0.024 0.000 0.298 230 F C 2.477 178.280 175.800 0.004 0.000 1.104 230 F CA 1.822 59.824 58.000 0.003 0.000 1.232 230 F CB -0.373 38.627 39.000 -0.001 0.000 0.987 230 F HN 0.162 nan 8.300 nan 0.000 0.475 231 Q N -0.213 119.603 119.800 0.027 0.000 2.119 231 Q HA -0.149 4.176 4.340 -0.024 0.000 0.201 231 Q C 2.291 178.240 176.000 -0.086 0.000 0.972 231 Q CA 1.344 57.104 55.803 -0.072 0.000 0.847 231 Q CB -0.300 28.442 28.738 0.005 0.000 0.903 231 Q HN 0.475 nan 8.270 nan 0.000 0.433 232 A N 1.056 123.855 122.820 -0.034 0.000 1.902 232 A HA -0.207 4.099 4.320 -0.024 0.000 0.217 232 A C 1.614 179.165 177.584 -0.055 0.000 1.181 232 A CA 1.829 53.849 52.037 -0.028 0.000 0.623 232 A CB -0.447 18.554 19.000 0.002 0.000 0.818 232 A HN 0.436 nan 8.150 nan 0.000 0.443 233 D N -1.042 119.313 120.400 -0.073 0.000 2.162 233 D HA -0.067 4.558 4.640 -0.024 0.000 0.203 233 D C 2.010 178.215 176.300 -0.159 0.000 0.967 233 D CA 2.034 55.982 54.000 -0.087 0.000 0.840 233 D CB -0.289 40.484 40.800 -0.044 0.000 0.972 233 D HN 0.634 nan 8.370 nan 0.000 0.482 234 T N -4.219 110.155 114.554 -0.300 0.000 2.985 234 T HA 0.386 4.721 4.350 -0.024 0.000 0.254 234 T C 1.653 176.207 174.700 -0.243 0.000 1.021 234 T CA 0.779 62.679 62.100 -0.333 0.000 0.957 234 T CB 1.026 69.513 68.868 -0.635 0.000 1.047 234 T HN 0.170 nan 8.240 nan 0.000 0.511 235 G N 1.803 110.480 108.800 -0.204 0.000 2.179 235 G HA2 -0.207 3.738 3.960 -0.024 0.000 0.260 235 G HA3 -0.207 3.738 3.960 -0.024 0.000 0.260 235 G C 0.028 174.863 174.900 -0.108 0.000 0.977 235 G CA 0.137 45.165 45.100 -0.121 0.000 0.641 235 G HN 0.678 nan 8.290 nan 0.000 0.533 236 I N 1.601 122.060 120.570 -0.184 0.000 2.352 236 I HA 0.306 4.462 4.170 -0.024 0.000 0.290 236 I C -0.270 175.866 176.117 0.031 0.000 1.036 236 I CA -0.455 60.805 61.300 -0.067 0.000 1.336 236 I CB 1.127 39.088 38.000 -0.066 0.000 1.407 236 I HN 0.002 nan 8.210 nan 0.000 0.497 237 D N 8.357 128.803 120.400 0.076 0.000 2.412 237 D HA 0.451 5.077 4.640 -0.024 0.000 0.224 237 D C -0.608 175.774 176.300 0.136 0.000 1.093 237 D CA -0.224 53.831 54.000 0.091 0.000 0.850 237 D CB 0.750 41.587 40.800 0.061 0.000 1.046 237 D HN 0.291 nan 8.370 nan 0.000 0.507 238 I N 3.184 123.838 120.570 0.141 0.000 2.404 238 I HA 0.257 4.412 4.170 -0.024 0.000 0.293 238 I C 0.250 176.410 176.117 0.071 0.000 0.992 238 I CA -0.900 60.477 61.300 0.130 0.000 1.149 238 I CB 1.665 39.742 38.000 0.129 0.000 1.315 238 I HN 0.188 nan 8.210 nan 0.000 0.446 239 D N 6.266 126.721 120.400 0.090 0.000 2.387 239 D HA 0.589 5.214 4.640 -0.024 0.000 0.255 239 D C -0.335 175.996 176.300 0.051 0.000 1.081 239 D CA -0.272 53.775 54.000 0.078 0.000 0.994 239 D CB 1.575 42.455 40.800 0.133 0.000 1.127 239 D HN 0.293 nan 8.370 nan 0.000 0.513 240 M N -0.058 119.571 119.600 0.049 0.000 2.602 240 M HA 0.320 4.785 4.480 -0.024 0.000 0.312 240 M C -0.870 175.456 176.300 0.043 0.000 1.181 240 M CA -0.748 54.561 55.300 0.015 0.000 0.910 240 M CB 2.518 35.107 32.600 -0.020 0.000 1.723 240 M HN 0.336 nan 8.290 nan 0.000 0.459 241 H N 1.796 120.818 119.070 -0.081 0.000 2.823 241 H HA 0.489 5.030 4.556 -0.024 0.000 0.332 241 H C -1.655 173.593 175.328 -0.133 0.000 0.980 241 H CA -0.630 55.367 56.048 -0.084 0.000 1.286 241 H CB 1.002 30.736 29.762 -0.046 0.000 1.541 241 H HN 0.511 nan 8.280 nan 0.000 0.521 242 I N 4.171 124.384 120.570 -0.595 0.000 2.352 242 I HA 0.080 4.235 4.170 -0.024 0.000 0.290 242 I C 0.305 176.226 176.117 -0.326 0.000 1.036 242 I CA -0.320 60.753 61.300 -0.380 0.000 1.336 242 I CB 0.875 38.665 38.000 -0.351 0.000 1.407 242 I HN 0.743 nan 8.210 nan 0.000 0.497 243 D N 6.690 127.077 120.400 -0.021 0.000 2.468 243 D HA 0.319 4.944 4.640 -0.024 0.000 0.218 243 D C 0.324 176.665 176.300 0.068 0.000 1.155 243 D CA -0.239 53.861 54.000 0.168 0.000 0.924 243 D CB 0.797 41.817 40.800 0.366 0.000 1.029 243 D HN 0.597 nan 8.370 nan 0.000 0.515 244 A N 3.292 126.094 122.820 -0.030 0.000 3.012 244 A HA 0.515 4.820 4.320 -0.024 0.000 0.295 244 A C 1.759 179.374 177.584 0.053 0.000 1.338 244 A CA 0.249 52.247 52.037 -0.065 0.000 0.981 244 A CB -0.135 18.656 19.000 -0.349 0.000 1.091 244 A HN 0.546 nan 8.150 nan 0.000 0.602 245 A N 0.708 123.610 122.820 0.136 0.000 1.915 245 A HA -0.236 4.070 4.320 -0.024 0.000 0.220 245 A C 2.495 180.279 177.584 0.333 0.000 1.198 245 A CA 2.810 54.976 52.037 0.214 0.000 0.647 245 A CB -0.647 18.441 19.000 0.146 0.000 0.825 245 A HN 1.165 nan 8.150 nan 0.000 0.456 246 S N -1.889 114.002 115.700 0.318 0.000 2.444 246 S HA 0.240 4.695 4.470 -0.024 0.000 0.223 246 S C 2.134 176.925 174.600 0.319 0.000 1.054 246 S CA 0.979 59.494 58.200 0.525 0.000 0.947 246 S CB -1.162 62.394 63.200 0.593 0.000 0.850 246 S HN 0.762 nan 8.310 nan 0.000 0.527 247 G N 1.464 110.298 108.800 0.056 0.000 2.462 247 G HA2 0.041 3.986 3.960 -0.024 0.000 0.220 247 G HA3 0.041 3.986 3.960 -0.024 0.000 0.220 247 G C 1.385 176.154 174.900 -0.218 0.000 1.121 247 G CA 0.701 45.681 45.100 -0.201 0.000 0.758 247 G HN 0.690 nan 8.290 nan 0.000 0.559 248 G N -0.135 108.562 108.800 -0.172 0.000 2.470 248 G HA2 -0.052 3.893 3.960 -0.024 0.000 0.220 248 G HA3 -0.052 3.893 3.960 -0.024 0.000 0.220 248 G C 0.896 175.818 174.900 0.037 0.000 1.121 248 G CA 0.312 45.310 45.100 -0.169 0.000 0.766 248 G HN 0.376 nan 8.290 nan 0.000 0.553 249 F N -0.521 119.699 119.950 0.451 0.000 2.735 249 F HA 0.508 5.022 4.527 -0.022 0.000 0.304 249 F C 1.353 177.512 175.800 0.598 0.000 1.119 249 F CA -0.424 57.911 58.000 0.558 0.000 1.280 249 F CB 0.442 39.837 39.000 0.659 0.000 0.994 249 F HN -0.016 nan 8.300 nan 0.000 0.520 250 L N -1.374 120.120 121.223 0.451 0.000 2.862 250 L HA 0.313 4.639 4.340 -0.024 0.000 0.169 250 L C 2.456 179.511 176.870 0.308 0.000 1.164 250 L CA 0.774 55.854 54.840 0.401 0.000 0.858 250 L CB -0.941 41.212 42.059 0.157 0.000 1.329 250 L HN -0.025 nan 8.230 nan 0.000 0.514 251 A N 1.085 123.989 122.820 0.140 0.000 1.903 251 A HA -0.165 4.141 4.320 -0.024 0.000 0.219 251 A C -0.404 177.277 177.584 0.161 0.000 1.191 251 A CA 2.252 54.365 52.037 0.126 0.000 0.638 251 A CB -1.995 16.995 19.000 -0.016 0.000 0.823 251 A HN 0.281 nan 8.150 nan 0.000 0.451 252 P HA -0.129 nan 4.420 nan 0.000 0.218 252 P C 0.741 177.931 177.300 -0.184 0.000 1.146 252 P CA 1.140 64.180 63.100 -0.099 0.000 0.813 252 P CB -0.110 31.374 31.700 -0.359 0.000 0.778 253 F N -1.697 118.379 119.950 0.210 0.000 2.437 253 F HA 0.034 4.547 4.527 -0.023 0.000 0.288 253 F C 2.011 177.899 175.800 0.146 0.000 1.085 253 F CA 0.606 58.715 58.000 0.181 0.000 1.430 253 F CB -1.084 38.060 39.000 0.240 0.000 1.120 253 F HN -0.224 nan 8.300 nan 0.000 0.556 254 V N -3.341 116.757 119.914 0.306 0.000 3.605 254 V HA 0.678 4.784 4.120 -0.024 0.000 0.284 254 V C 0.574 176.712 176.094 0.072 0.000 1.386 254 V CA 0.454 62.843 62.300 0.149 0.000 1.053 254 V CB -0.054 31.803 31.823 0.057 0.000 0.857 254 V HN 0.100 nan 8.190 nan 0.000 0.436 255 A N 1.323 124.213 122.820 0.118 0.000 3.474 255 A HA 0.615 4.920 4.320 -0.024 0.000 0.251 255 A C -1.366 176.311 177.584 0.154 0.000 1.062 255 A CA -0.279 51.827 52.037 0.115 0.000 0.945 255 A CB 0.233 19.314 19.000 0.135 0.000 1.296 255 A HN 0.278 nan 8.150 nan 0.000 0.592 256 P HA -0.155 nan 4.420 nan 0.000 0.219 256 P C 0.269 177.643 177.300 0.123 0.000 1.146 256 P CA 1.170 64.356 63.100 0.144 0.000 0.808 256 P CB 0.278 32.048 31.700 0.116 0.000 0.779 257 D N 0.035 120.489 120.400 0.091 0.000 2.348 257 D HA 0.033 4.659 4.640 -0.024 0.000 0.216 257 D C 1.081 177.418 176.300 0.061 0.000 0.970 257 D CA 0.326 54.356 54.000 0.050 0.000 0.889 257 D CB -0.257 40.559 40.800 0.026 0.000 0.912 257 D HN 0.309 nan 8.370 nan 0.000 0.524 258 I N 1.599 122.255 120.570 0.143 0.000 2.517 258 I HA -0.051 4.104 4.170 -0.024 0.000 0.285 258 I C 0.213 176.431 176.117 0.169 0.000 1.106 258 I CA -0.172 61.245 61.300 0.196 0.000 1.402 258 I CB 1.047 39.261 38.000 0.357 0.000 1.399 258 I HN -0.343 nan 8.210 nan 0.000 0.535 259 V N 8.113 128.050 119.914 0.037 0.000 2.322 259 V HA 0.067 4.173 4.120 -0.024 0.000 0.258 259 V C 0.568 176.582 176.094 -0.133 0.000 1.074 259 V CA -0.078 62.154 62.300 -0.114 0.000 0.909 259 V CB -0.174 31.559 31.823 -0.150 0.000 1.090 259 V HN 0.931 nan 8.190 nan 0.000 0.486 260 W N 3.346 124.415 121.300 -0.385 0.000 2.592 260 W HA 0.250 4.895 4.660 -0.024 0.000 0.306 260 W C 0.060 176.191 176.519 -0.646 0.000 0.991 260 W CA 0.218 57.189 57.345 -0.622 0.000 1.430 260 W CB -0.101 28.593 29.460 -1.275 0.000 1.017 260 W HN 0.621 nan 8.180 nan 0.000 0.557 261 D N 0.806 120.296 120.400 -1.517 0.000 2.440 261 D HA 0.152 4.778 4.640 -0.024 0.000 0.282 261 D C 0.857 176.667 176.300 -0.818 0.000 1.189 261 D CA -0.421 52.652 54.000 -1.546 0.000 1.105 261 D CB -0.565 39.130 40.800 -1.842 0.000 1.173 261 D HN -0.233 nan 8.370 nan 0.000 0.577 262 F N -0.443 119.236 119.950 -0.452 0.000 2.664 262 F HA 0.121 4.633 4.527 -0.025 0.000 0.297 262 F C 2.236 177.912 175.800 -0.206 0.000 1.164 262 F CA 0.388 58.249 58.000 -0.232 0.000 1.472 262 F CB -0.510 38.421 39.000 -0.114 0.000 1.108 262 F HN 0.044 nan 8.300 nan 0.000 0.596 263 R N -0.135 120.270 120.500 -0.159 0.000 2.237 263 R HA -0.004 4.321 4.340 -0.024 0.000 0.219 263 R C 0.288 176.465 176.300 -0.204 0.000 1.080 263 R CA 0.481 56.463 56.100 -0.198 0.000 0.995 263 R CB -0.185 29.923 30.300 -0.320 0.000 0.875 263 R HN 0.223 nan 8.270 nan 0.000 0.462 264 L N 1.480 122.562 121.223 -0.234 0.000 2.255 264 L HA 0.210 4.536 4.340 -0.024 0.000 0.289 264 L C -1.701 175.148 176.870 -0.035 0.000 1.046 264 L CA -2.036 52.624 54.840 -0.300 0.000 0.816 264 L CB 1.425 43.275 42.059 -0.348 0.000 1.197 264 L HN -0.213 nan 8.230 nan 0.000 0.427 265 P HA -0.198 nan 4.420 nan 0.000 0.216 265 P C 1.188 178.632 177.300 0.240 0.000 1.154 265 P CA 1.560 64.767 63.100 0.178 0.000 0.865 265 P CB 0.141 31.947 31.700 0.176 0.000 0.789 266 R N -1.206 119.527 120.500 0.388 0.000 2.280 266 R HA 0.048 4.373 4.340 -0.024 0.000 0.207 266 R C 0.181 176.561 176.300 0.133 0.000 1.043 266 R CA 0.164 56.351 56.100 0.145 0.000 1.006 266 R CB -0.385 29.839 30.300 -0.126 0.000 0.885 266 R HN 0.082 nan 8.270 nan 0.000 0.467 267 V N 2.803 122.801 119.914 0.141 0.000 2.397 267 V HA -0.005 4.101 4.120 -0.024 0.000 0.262 267 V C 0.810 177.033 176.094 0.215 0.000 1.047 267 V CA 0.529 62.860 62.300 0.052 0.000 1.003 267 V CB 1.048 32.776 31.823 -0.159 0.000 1.037 267 V HN 0.128 nan 8.190 nan 0.000 0.480 268 K N 2.656 123.192 120.400 0.227 0.000 2.352 268 K HA 0.195 4.501 4.320 -0.024 0.000 0.194 268 K C 0.610 177.484 176.600 0.456 0.000 1.038 268 K CA 0.364 56.859 56.287 0.346 0.000 1.023 268 K CB 0.553 33.236 32.500 0.306 0.000 0.840 268 K HN 0.782 nan 8.250 nan 0.000 0.519 269 S N -0.424 115.434 115.700 0.263 0.000 2.567 269 S HA 0.670 5.126 4.470 -0.024 0.000 0.270 269 S C -0.768 173.591 174.600 -0.402 0.000 1.152 269 S CA -1.035 57.200 58.200 0.059 0.000 0.835 269 S CB 1.541 64.655 63.200 -0.144 0.000 1.115 269 S HN 0.006 nan 8.310 nan 0.000 0.459 270 I N 1.647 121.955 120.570 -0.436 0.000 2.722 270 I HA 0.628 4.783 4.170 -0.024 0.000 0.295 270 I C -0.523 175.426 176.117 -0.280 0.000 1.161 270 I CA -0.633 60.261 61.300 -0.677 0.000 1.032 270 I CB 2.675 40.096 38.000 -0.966 0.000 1.244 270 I HN 0.945 nan 8.210 nan 0.000 0.421 271 S N 3.555 119.129 115.700 -0.209 0.000 2.599 271 S HA 1.002 5.457 4.470 -0.024 0.000 0.294 271 S C -0.775 173.927 174.600 0.170 0.000 1.094 271 S CA -0.709 57.581 58.200 0.150 0.000 0.931 271 S CB 2.672 66.028 63.200 0.260 0.000 1.093 271 S HN 1.013 nan 8.310 nan 0.000 0.488 272 A N 0.817 123.864 122.820 0.378 0.000 2.608 272 A HA 0.745 5.051 4.320 -0.024 0.000 0.292 272 A C -0.829 177.044 177.584 0.482 0.000 1.066 272 A CA -0.834 51.450 52.037 0.412 0.000 0.676 272 A CB 1.088 20.364 19.000 0.460 0.000 1.277 272 A HN 0.857 nan 8.150 nan 0.000 0.413 273 S N 0.703 116.664 115.700 0.434 0.000 2.410 273 S HA 0.439 4.894 4.470 -0.024 0.000 0.304 273 S C 1.417 176.230 174.600 0.355 0.000 1.095 273 S CA 0.104 58.431 58.200 0.211 0.000 1.089 273 S CB 1.264 64.558 63.200 0.155 0.000 0.968 273 S HN 1.313 nan 8.310 nan 0.000 0.480 274 G N 2.066 110.970 108.800 0.173 0.000 2.422 274 G HA2 -0.199 3.747 3.960 -0.024 0.000 0.218 274 G HA3 -0.199 3.747 3.960 -0.024 0.000 0.218 274 G C 1.009 175.930 174.900 0.035 0.000 1.146 274 G CA 0.431 45.601 45.100 0.116 0.000 0.769 274 G HN 0.941 nan 8.290 nan 0.000 0.547 275 H N -0.607 118.497 119.070 0.057 0.000 2.553 275 H HA 0.349 4.890 4.556 -0.025 0.000 0.269 275 H C 1.410 176.749 175.328 0.018 0.000 1.011 275 H CA 0.125 56.179 56.048 0.010 0.000 1.150 275 H CB 0.240 29.983 29.762 -0.032 0.000 1.339 275 H HN 0.255 nan 8.280 nan 0.000 0.604 276 K N 0.558 121.135 120.400 0.295 0.000 4.183 276 K HA 0.141 4.446 4.320 -0.024 0.000 0.171 276 K C 0.750 177.350 176.600 0.000 0.000 1.146 276 K CA -0.384 55.984 56.287 0.136 0.000 1.795 276 K CB -0.004 32.661 32.500 0.276 0.000 2.483 276 K HN 0.037 nan 8.250 nan 0.000 0.523 277 F N 1.350 121.519 119.950 0.364 0.000 2.802 277 F HA 0.064 4.577 4.527 -0.023 0.000 0.300 277 F C 1.848 177.874 175.800 0.377 0.000 1.168 277 F CA 0.433 58.651 58.000 0.363 0.000 1.433 277 F CB -0.289 38.956 39.000 0.408 0.000 1.115 277 F HN 0.445 nan 8.300 nan 0.000 0.582 278 G N -0.487 108.473 108.800 0.267 0.000 2.848 278 G HA2 0.025 3.971 3.960 -0.024 0.000 0.208 278 G HA3 0.025 3.971 3.960 -0.024 0.000 0.208 278 G C 1.145 176.105 174.900 0.100 0.000 1.152 278 G CA 0.178 45.106 45.100 -0.288 0.000 0.789 278 G HN 0.461 nan 8.290 nan 0.000 0.531 279 L N -2.189 119.116 121.223 0.137 0.000 4.696 279 L HA -0.210 4.115 4.340 -0.024 0.000 0.425 279 L C 1.248 178.154 176.870 0.061 0.000 1.115 279 L CA 0.002 54.896 54.840 0.090 0.000 0.996 279 L CB -2.266 39.805 42.059 0.020 0.000 2.077 279 L HN 0.384 nan 8.230 nan 0.000 0.792 280 A N 0.302 123.150 122.820 0.046 0.000 2.286 280 A HA 0.770 5.076 4.320 -0.024 0.000 0.286 280 A C -1.884 175.720 177.584 0.033 0.000 1.097 280 A CA -1.012 51.039 52.037 0.024 0.000 0.821 280 A CB 0.347 19.348 19.000 0.003 0.000 1.076 280 A HN 0.074 nan 8.150 nan 0.000 0.490 281 P HA 0.202 nan 4.420 nan 0.000 0.276 281 P C -0.352 176.952 177.300 0.008 0.000 1.244 281 P CA -0.329 62.744 63.100 -0.045 0.000 0.801 281 P CB 0.466 32.091 31.700 -0.125 0.000 1.006 282 L N 1.033 122.232 121.223 -0.040 0.000 2.678 282 L HA 0.037 4.362 4.340 -0.024 0.000 0.285 282 L C 1.544 178.430 176.870 0.027 0.000 1.233 282 L CA 1.611 56.403 54.840 -0.080 0.000 0.920 282 L CB -1.098 40.855 42.059 -0.176 0.000 1.176 282 L HN 0.922 nan 8.230 nan 0.000 0.495 283 G N 2.211 111.172 108.800 0.269 0.000 2.155 283 G HA2 -0.164 3.782 3.960 -0.024 0.000 0.135 283 G HA3 -0.164 3.782 3.960 -0.024 0.000 0.135 283 G C -0.494 174.356 174.900 -0.083 0.000 1.023 283 G CA -0.304 44.836 45.100 0.068 0.000 0.688 283 G HN 0.752 nan 8.290 nan 0.000 0.499 284 C N 0.477 119.697 119.300 -0.134 0.000 2.551 284 C HA 0.927 5.372 4.460 -0.024 0.000 0.332 284 C C 0.570 175.167 174.990 -0.656 0.000 1.139 284 C CA 0.702 59.456 59.018 -0.439 0.000 1.328 284 C CB 0.759 28.310 27.740 -0.315 0.000 1.903 284 C HN 1.464 nan 8.230 nan 0.000 0.459 285 G N 3.200 111.578 108.800 -0.704 0.000 2.694 285 G HA2 0.820 4.766 3.960 -0.024 0.000 0.290 285 G HA3 0.820 4.766 3.960 -0.024 0.000 0.290 285 G C -2.159 172.365 174.900 -0.626 0.000 1.386 285 G CA -0.574 44.229 45.100 -0.495 0.000 0.872 285 G HN 0.757 nan 8.290 nan 0.000 0.475 286 W N -0.790 120.595 121.300 0.143 0.000 3.138 286 W HA 0.590 5.235 4.660 -0.025 0.000 0.331 286 W C -0.930 175.709 176.519 0.201 0.000 1.166 286 W CA -0.921 56.539 57.345 0.192 0.000 1.212 286 W CB 2.605 32.234 29.460 0.282 0.000 1.399 286 W HN 0.431 nan 8.180 nan 0.000 0.514 287 V N 5.618 125.780 119.914 0.415 0.000 2.668 287 V HA 0.636 4.742 4.120 -0.024 0.000 0.304 287 V C -1.443 174.720 176.094 0.115 0.000 1.071 287 V CA -0.747 61.649 62.300 0.160 0.000 0.894 287 V CB 1.149 32.905 31.823 -0.113 0.000 1.008 287 V HN 0.436 nan 8.190 nan 0.000 0.425 288 I N 6.129 126.782 120.570 0.138 0.000 2.569 288 I HA 0.541 4.696 4.170 -0.024 0.000 0.296 288 I C -0.543 175.666 176.117 0.154 0.000 1.028 288 I CA -0.583 60.879 61.300 0.270 0.000 1.082 288 I CB 2.113 40.407 38.000 0.490 0.000 1.264 288 I HN 0.611 nan 8.210 nan 0.000 0.429 289 W N 4.606 126.088 121.300 0.304 0.000 2.627 289 W HA 0.338 4.984 4.660 -0.024 0.000 0.339 289 W C 1.343 177.785 176.519 -0.128 0.000 1.058 289 W CA -0.598 56.879 57.345 0.220 0.000 1.223 289 W CB 1.839 31.395 29.460 0.161 0.000 1.389 289 W HN 0.616 nan 8.180 nan 0.000 0.541 290 R N 0.386 120.838 120.500 -0.080 0.000 2.189 290 R HA -0.106 4.219 4.340 -0.024 0.000 0.223 290 R C -0.437 175.719 176.300 -0.240 0.000 1.092 290 R CA 1.566 57.298 56.100 -0.613 0.000 0.989 290 R CB -0.165 29.920 30.300 -0.358 0.000 0.876 290 R HN 0.486 nan 8.270 nan 0.000 0.457 291 D N -2.260 118.133 120.400 -0.011 0.000 2.804 291 D HA -0.006 4.620 4.640 -0.024 0.000 0.309 291 D C -0.241 176.077 176.300 0.031 0.000 1.311 291 D CA -0.739 53.260 54.000 -0.001 0.000 0.765 291 D CB 0.302 41.087 40.800 -0.024 0.000 1.293 291 D HN -0.070 nan 8.370 nan 0.000 0.434 292 E N -0.015 120.183 120.200 -0.003 0.000 2.086 292 E HA -0.233 4.103 4.350 -0.024 0.000 0.200 292 E C 1.243 177.817 176.600 -0.043 0.000 1.012 292 E CA 1.821 58.201 56.400 -0.033 0.000 0.812 292 E CB -0.084 29.597 29.700 -0.031 0.000 0.743 292 E HN 0.535 nan 8.360 nan 0.000 0.453 293 E N 0.071 120.265 120.200 -0.010 0.000 2.265 293 E HA -0.154 4.182 4.350 -0.024 0.000 0.196 293 E C 1.837 178.454 176.600 0.028 0.000 0.996 293 E CA 0.662 57.064 56.400 0.004 0.000 0.832 293 E CB -0.045 29.668 29.700 0.022 0.000 0.756 293 E HN 0.248 nan 8.360 nan 0.000 0.491 294 A N 0.676 123.533 122.820 0.061 0.000 2.119 294 A HA 0.009 4.315 4.320 -0.024 0.000 0.216 294 A C 0.969 178.567 177.584 0.022 0.000 1.152 294 A CA 0.227 52.358 52.037 0.156 0.000 0.708 294 A CB 0.157 19.358 19.000 0.335 0.000 0.805 294 A HN 0.151 nan 8.150 nan 0.000 0.460 295 L N 0.828 121.915 121.223 -0.227 0.000 2.318 295 L HA 0.526 4.852 4.340 -0.024 0.000 0.277 295 L C -2.919 173.724 176.870 -0.378 0.000 1.008 295 L CA -2.517 51.989 54.840 -0.557 0.000 0.846 295 L CB 1.249 42.718 42.059 -0.984 0.000 1.220 295 L HN -0.159 nan 8.230 nan 0.000 0.423 296 P HA 0.050 nan 4.420 nan 0.000 0.262 296 P C 0.164 177.258 177.300 -0.343 0.000 1.199 296 P CA 0.001 62.967 63.100 -0.223 0.000 0.763 296 P CB 0.509 32.129 31.700 -0.133 0.000 0.790 297 Q N 2.475 122.132 119.800 -0.238 0.000 2.234 297 Q HA -0.239 4.086 4.340 -0.024 0.000 0.206 297 Q C 0.656 176.484 176.000 -0.286 0.000 0.980 297 Q CA 1.598 57.251 55.803 -0.250 0.000 0.869 297 Q CB -0.388 28.253 28.738 -0.160 0.000 0.912 297 Q HN 0.373 nan 8.270 nan 0.000 0.436 298 E N 1.151 121.209 120.200 -0.237 0.000 2.265 298 E HA -0.048 4.288 4.350 -0.024 0.000 0.196 298 E C 1.611 177.989 176.600 -0.371 0.000 0.996 298 E CA 0.878 57.148 56.400 -0.217 0.000 0.832 298 E CB -0.020 29.679 29.700 -0.001 0.000 0.756 298 E HN 0.413 nan 8.360 nan 0.000 0.491 299 L N -0.086 120.797 121.223 -0.567 0.000 2.558 299 L HA 0.111 4.437 4.340 -0.024 0.000 0.225 299 L C 0.057 176.593 176.870 -0.557 0.000 1.128 299 L CA -0.171 54.250 54.840 -0.698 0.000 0.868 299 L CB 0.397 41.721 42.059 -1.224 0.000 1.006 299 L HN -0.073 nan 8.230 nan 0.000 0.454 300 V N -0.125 119.506 119.914 -0.473 0.000 2.481 300 V HA 0.247 4.353 4.120 -0.024 0.000 0.286 300 V C -0.551 175.438 176.094 -0.175 0.000 1.042 300 V CA -0.347 61.820 62.300 -0.221 0.000 0.928 300 V CB 1.515 33.192 31.823 -0.243 0.000 0.986 300 V HN -0.077 nan 8.190 nan 0.000 0.462 301 F N 3.364 123.322 119.950 0.014 0.000 2.382 301 F HA 0.452 4.965 4.527 -0.024 0.000 0.361 301 F C 0.638 176.467 175.800 0.048 0.000 1.109 301 F CA -0.799 57.228 58.000 0.045 0.000 1.031 301 F CB 0.969 40.028 39.000 0.099 0.000 1.234 301 F HN 0.421 nan 8.300 nan 0.000 0.445 302 N N 2.758 121.524 118.700 0.110 0.000 2.530 302 N HA 0.428 5.153 4.740 -0.024 0.000 0.273 302 N C -0.488 175.093 175.510 0.117 0.000 1.173 302 N CA -0.001 53.101 53.050 0.087 0.000 0.967 302 N CB 1.921 40.428 38.487 0.032 0.000 1.109 302 N HN 0.391 nan 8.380 nan 0.000 0.453 303 V N -1.568 118.405 119.914 0.099 0.000 3.001 303 V HA 0.498 4.604 4.120 -0.024 0.000 0.314 303 V C -0.264 175.888 176.094 0.097 0.000 1.099 303 V CA -1.169 61.192 62.300 0.101 0.000 0.989 303 V CB 2.140 34.017 31.823 0.090 0.000 1.040 303 V HN 0.374 nan 8.190 nan 0.000 0.434 304 D N 1.472 121.932 120.400 0.099 0.000 2.382 304 D HA 0.350 4.975 4.640 -0.024 0.000 0.245 304 D C -1.206 175.203 176.300 0.181 0.000 1.120 304 D CA 0.752 54.815 54.000 0.105 0.000 0.890 304 D CB 1.255 42.099 40.800 0.072 0.000 1.201 304 D HN 0.784 nan 8.370 nan 0.000 0.433 305 Y N 2.145 122.440 120.300 -0.009 0.000 2.278 305 Y HA 0.155 4.690 4.550 -0.025 0.000 0.328 305 Y C -0.445 175.444 175.900 -0.018 0.000 1.166 305 Y CA -0.808 57.280 58.100 -0.020 0.000 1.211 305 Y CB 0.134 38.577 38.460 -0.027 0.000 1.167 305 Y HN 0.414 nan 8.280 nan 0.000 0.434 306 L N 6.058 127.056 121.223 -0.376 0.000 3.746 306 L HA -0.281 4.045 4.340 -0.024 0.000 0.542 306 L C 1.214 177.975 176.870 -0.183 0.000 1.268 306 L CA 1.206 55.831 54.840 -0.357 0.000 0.818 306 L CB -1.448 40.254 42.059 -0.595 0.000 1.472 306 L HN 1.176 nan 8.230 nan 0.000 0.843 307 G N -1.206 107.535 108.800 -0.098 0.000 2.196 307 G HA2 -0.199 3.747 3.960 -0.024 0.000 0.268 307 G HA3 -0.199 3.747 3.960 -0.024 0.000 0.268 307 G C 0.618 175.500 174.900 -0.030 0.000 0.975 307 G CA 0.455 45.523 45.100 -0.054 0.000 0.648 307 G HN 1.234 nan 8.290 nan 0.000 0.538 308 G N -1.893 106.895 108.800 -0.019 0.000 3.247 308 G HA2 0.717 4.663 3.960 -0.024 0.000 0.226 308 G HA3 0.717 4.663 3.960 -0.024 0.000 0.226 308 G C -0.835 174.103 174.900 0.064 0.000 1.220 308 G CA -0.104 45.008 45.100 0.020 0.000 0.875 308 G HN 0.550 nan 8.290 nan 0.000 0.606 309 Q N -0.569 119.284 119.800 0.087 0.000 2.353 309 Q HA 0.442 4.768 4.340 -0.024 0.000 0.275 309 Q C -1.371 174.687 176.000 0.096 0.000 1.029 309 Q CA -0.559 55.303 55.803 0.099 0.000 0.848 309 Q CB 2.929 31.702 28.738 0.059 0.000 1.390 309 Q HN 0.741 nan 8.270 nan 0.000 0.401 310 I N -1.872 118.748 120.570 0.083 0.000 2.608 310 I HA 0.817 4.973 4.170 -0.024 0.000 0.295 310 I C 0.108 176.238 176.117 0.021 0.000 1.049 310 I CA -0.901 60.419 61.300 0.035 0.000 1.063 310 I CB 1.926 39.904 38.000 -0.037 0.000 1.248 310 I HN 0.579 nan 8.210 nan 0.000 0.424 311 G N 2.923 111.738 108.800 0.026 0.000 2.467 311 G HA2 0.512 4.457 3.960 -0.024 0.000 0.257 311 G HA3 0.512 4.457 3.960 -0.024 0.000 0.257 311 G C -0.228 174.725 174.900 0.087 0.000 1.227 311 G CA -0.066 45.060 45.100 0.044 0.000 0.835 311 G HN 0.926 nan 8.290 nan 0.000 0.556 312 T N -1.421 113.228 114.554 0.158 0.000 2.886 312 T HA 0.622 4.958 4.350 -0.024 0.000 0.292 312 T C -1.416 173.516 174.700 0.387 0.000 1.012 312 T CA -0.804 61.437 62.100 0.236 0.000 0.982 312 T CB 1.789 70.773 68.868 0.193 0.000 1.018 312 T HN 0.478 nan 8.240 nan 0.000 0.451 313 F N 2.753 122.824 119.950 0.202 0.000 2.828 313 F HA 0.778 5.290 4.527 -0.024 0.000 0.355 313 F C -0.897 175.032 175.800 0.216 0.000 1.200 313 F CA -1.222 56.890 58.000 0.187 0.000 1.062 313 F CB 0.801 39.862 39.000 0.101 0.000 1.351 313 F HN 1.177 nan 8.300 nan 0.000 0.504 314 A N 5.707 128.616 122.820 0.149 0.000 2.604 314 A HA 0.651 4.956 4.320 -0.024 0.000 0.295 314 A C -0.367 177.221 177.584 0.007 0.000 1.067 314 A CA -0.585 51.451 52.037 -0.002 0.000 0.683 314 A CB 0.929 20.007 19.000 0.131 0.000 1.281 314 A HN 0.575 nan 8.150 nan 0.000 0.407 315 I N 0.307 120.858 120.570 -0.033 0.000 2.731 315 I HA 0.017 4.173 4.170 -0.024 0.000 0.260 315 I C 0.679 176.824 176.117 0.046 0.000 1.138 315 I CA 0.245 61.562 61.300 0.028 0.000 1.461 315 I CB -0.050 37.977 38.000 0.046 0.000 1.128 315 I HN 0.546 nan 8.210 nan 0.000 0.438 316 N N 0.369 119.081 118.700 0.020 0.000 2.445 316 N HA 0.158 4.884 4.740 -0.024 0.000 0.264 316 N C -0.030 175.579 175.510 0.165 0.000 1.227 316 N CA -0.028 53.051 53.050 0.049 0.000 0.963 316 N CB 1.780 40.240 38.487 -0.044 0.000 1.188 316 N HN -0.048 nan 8.380 nan 0.000 0.491 317 F N 0.288 120.250 119.950 0.021 0.000 2.123 317 F HA 0.281 4.794 4.527 -0.024 0.000 0.207 317 F C 0.680 176.543 175.800 0.104 0.000 1.198 317 F CA -0.155 57.887 58.000 0.069 0.000 1.265 317 F CB -0.436 38.583 39.000 0.031 0.000 1.722 317 F HN 0.202 nan 8.300 nan 0.000 0.351 318 S N 2.354 118.134 115.700 0.134 0.000 2.549 318 S HA 0.479 4.935 4.470 -0.024 0.000 0.283 318 S C -0.674 173.940 174.600 0.024 0.000 1.320 318 S CA -0.319 57.896 58.200 0.025 0.000 1.058 318 S CB -0.050 63.224 63.200 0.122 0.000 0.882 318 S HN 0.488 nan 8.310 nan 0.000 0.498 319 R N 1.146 121.645 120.500 -0.002 0.000 2.753 319 R HA 0.405 4.730 4.340 -0.024 0.000 0.272 319 R C -3.765 172.516 176.300 -0.032 0.000 1.034 319 R CA -1.977 54.101 56.100 -0.037 0.000 0.869 319 R CB 0.005 30.244 30.300 -0.101 0.000 1.264 319 R HN 0.241 nan 8.270 nan 0.000 0.481 320 P HA 0.070 nan 4.420 nan 0.000 0.266 320 P C -0.115 177.166 177.300 -0.031 0.000 1.195 320 P CA 0.066 63.127 63.100 -0.066 0.000 0.768 320 P CB 1.002 32.656 31.700 -0.076 0.000 0.838 321 A N 3.124 125.936 122.820 -0.014 0.000 2.238 321 A HA 0.193 4.498 4.320 -0.024 0.000 0.210 321 A C 2.157 179.760 177.584 0.033 0.000 1.179 321 A CA 1.008 53.091 52.037 0.077 0.000 0.827 321 A CB -1.101 17.921 19.000 0.037 0.000 0.856 321 A HN 0.599 nan 8.150 nan 0.000 0.488 322 G N 0.110 108.897 108.800 -0.022 0.000 2.440 322 G HA2 -0.271 3.674 3.960 -0.024 0.000 0.218 322 G HA3 -0.271 3.674 3.960 -0.024 0.000 0.218 322 G C 1.455 176.338 174.900 -0.028 0.000 1.154 322 G CA 1.262 46.344 45.100 -0.029 0.000 0.767 322 G HN 0.541 nan 8.290 nan 0.000 0.552 323 Q N -0.370 119.398 119.800 -0.054 0.000 2.084 323 Q HA -0.005 4.320 4.340 -0.024 0.000 0.202 323 Q C 2.655 178.638 176.000 -0.029 0.000 0.978 323 Q CA 1.270 57.035 55.803 -0.064 0.000 0.844 323 Q CB -0.611 28.062 28.738 -0.109 0.000 0.898 323 Q HN 0.350 nan 8.270 nan 0.000 0.426 324 V N -0.052 119.859 119.914 -0.005 0.000 2.548 324 V HA -0.154 3.952 4.120 -0.024 0.000 0.249 324 V C 1.697 177.883 176.094 0.153 0.000 1.055 324 V CA 1.181 63.538 62.300 0.095 0.000 1.065 324 V CB -0.166 31.761 31.823 0.173 0.000 0.681 324 V HN 0.391 nan 8.190 nan 0.000 0.462 325 I N 0.480 121.122 120.570 0.120 0.000 2.252 325 I HA -0.147 4.008 4.170 -0.024 0.000 0.245 325 I C 2.712 178.926 176.117 0.162 0.000 1.102 325 I CA 1.405 62.794 61.300 0.147 0.000 1.385 325 I CB -0.601 37.454 38.000 0.093 0.000 1.064 325 I HN 0.390 nan 8.210 nan 0.000 0.414 326 A N 0.189 123.060 122.820 0.085 0.000 1.902 326 A HA -0.289 4.017 4.320 -0.024 0.000 0.217 326 A C 2.228 179.880 177.584 0.113 0.000 1.181 326 A CA 1.911 53.997 52.037 0.082 0.000 0.623 326 A CB -0.629 18.371 19.000 -0.000 0.000 0.818 326 A HN 0.416 nan 8.150 nan 0.000 0.443 327 Q N -1.424 118.393 119.800 0.027 0.000 2.061 327 Q HA -0.234 4.091 4.340 -0.024 0.000 0.204 327 Q C 1.877 177.667 176.000 -0.350 0.000 0.984 327 Q CA 2.324 58.020 55.803 -0.178 0.000 0.846 327 Q CB -0.615 28.061 28.738 -0.104 0.000 0.902 327 Q HN 0.688 nan 8.270 nan 0.000 0.421 328 Y N -0.244 119.942 120.300 -0.189 0.000 2.165 328 Y HA -0.289 4.246 4.550 -0.025 0.000 0.286 328 Y C 2.050 178.001 175.900 0.086 0.000 1.155 328 Y CA 1.886 59.966 58.100 -0.035 0.000 1.164 328 Y CB -0.794 37.724 38.460 0.097 0.000 0.978 328 Y HN 0.404 nan 8.280 nan 0.000 0.513 329 Y N 1.011 121.302 120.300 -0.015 0.000 2.145 329 Y HA -0.204 4.334 4.550 -0.018 0.000 0.286 329 Y C 2.183 178.065 175.900 -0.030 0.000 1.145 329 Y CA 2.210 60.277 58.100 -0.056 0.000 1.148 329 Y CB -0.412 38.048 38.460 0.001 0.000 0.981 329 Y HN 0.085 nan 8.280 nan 0.000 0.507 330 E N -0.096 120.039 120.200 -0.108 0.000 2.110 330 E HA -0.162 4.174 4.350 -0.024 0.000 0.193 330 E C 2.116 178.812 176.600 0.160 0.000 0.988 330 E CA 1.017 57.355 56.400 -0.105 0.000 0.804 330 E CB -0.604 29.139 29.700 0.071 0.000 0.745 330 E HN 0.462 nan 8.360 nan 0.000 0.458 331 F N 0.932 120.910 119.950 0.047 0.000 2.102 331 F HA -0.113 4.401 4.527 -0.023 0.000 0.298 331 F C 2.426 178.169 175.800 -0.095 0.000 1.105 331 F CA 0.709 58.733 58.000 0.040 0.000 1.239 331 F CB -1.044 37.951 39.000 -0.007 0.000 0.991 331 F HN -0.013 nan 8.300 nan 0.000 0.474 332 L N -0.883 120.296 121.223 -0.074 0.000 2.072 332 L HA -0.121 4.204 4.340 -0.024 0.000 0.205 332 L C 2.719 179.488 176.870 -0.170 0.000 1.079 332 L CA 0.957 55.685 54.840 -0.187 0.000 0.752 332 L CB -0.533 41.315 42.059 -0.352 0.000 0.906 332 L HN 0.018 nan 8.230 nan 0.000 0.436 333 R N 0.765 121.080 120.500 -0.309 0.000 2.090 333 R HA -0.070 4.256 4.340 -0.024 0.000 0.228 333 R C 2.031 178.231 176.300 -0.167 0.000 1.110 333 R CA 1.330 57.237 56.100 -0.321 0.000 0.973 333 R CB -0.040 29.836 30.300 -0.707 0.000 0.869 333 R HN 0.355 nan 8.270 nan 0.000 0.440 334 L N -0.785 120.372 121.223 -0.109 0.000 2.269 334 L HA 0.203 4.528 4.340 -0.024 0.000 0.200 334 L C 1.333 178.243 176.870 0.065 0.000 1.069 334 L CA 0.588 55.404 54.840 -0.040 0.000 0.804 334 L CB -0.569 41.407 42.059 -0.138 0.000 0.987 334 L HN 0.428 nan 8.230 nan 0.000 0.468 335 G N 0.284 109.181 108.800 0.161 0.000 2.697 335 G HA2 -0.370 3.576 3.960 -0.024 0.000 0.240 335 G HA3 -0.370 3.576 3.960 -0.024 0.000 0.240 335 G C 0.492 175.487 174.900 0.158 0.000 1.346 335 G CA 0.526 45.699 45.100 0.121 0.000 0.887 335 G HN 0.280 nan 8.290 nan 0.000 0.569 336 R N 0.200 120.779 120.500 0.131 0.000 2.081 336 R HA -0.081 4.244 4.340 -0.024 0.000 0.235 336 R C 2.562 178.940 176.300 0.130 0.000 1.131 336 R CA 2.189 58.419 56.100 0.215 0.000 0.960 336 R CB -0.387 30.049 30.300 0.227 0.000 0.856 336 R HN 0.750 nan 8.270 nan 0.000 0.436 337 E N -0.848 119.407 120.200 0.091 0.000 2.058 337 E HA -0.162 4.173 4.350 -0.024 0.000 0.194 337 E C 1.800 178.414 176.600 0.025 0.000 0.997 337 E CA 1.530 57.967 56.400 0.061 0.000 0.801 337 E CB -0.324 29.403 29.700 0.044 0.000 0.746 337 E HN 0.505 nan 8.360 nan 0.000 0.450 338 G N -0.499 108.306 108.800 0.008 0.000 2.402 338 G HA2 -0.262 3.683 3.960 -0.024 0.000 0.216 338 G HA3 -0.262 3.683 3.960 -0.024 0.000 0.216 338 G C 1.185 176.008 174.900 -0.129 0.000 1.162 338 G CA 0.904 45.973 45.100 -0.052 0.000 0.777 338 G HN 0.297 nan 8.290 nan 0.000 0.539 339 Y N 1.374 121.499 120.300 -0.291 0.000 2.181 339 Y HA -0.115 4.421 4.550 -0.023 0.000 0.288 339 Y C 3.366 179.043 175.900 -0.371 0.000 1.146 339 Y CA 1.805 59.596 58.100 -0.516 0.000 1.164 339 Y CB -0.558 37.059 38.460 -1.404 0.000 0.982 339 Y HN 0.139 nan 8.280 nan 0.000 0.515 340 T N -0.173 114.321 114.554 -0.100 0.000 2.759 340 T HA -0.192 4.143 4.350 -0.024 0.000 0.269 340 T C 1.782 176.528 174.700 0.077 0.000 1.042 340 T CA 1.635 63.788 62.100 0.088 0.000 1.140 340 T CB -0.165 68.792 68.868 0.149 0.000 0.864 340 T HN 0.308 nan 8.240 nan 0.000 0.455 341 K N 0.359 120.773 120.400 0.025 0.000 2.103 341 K HA 0.029 4.334 4.320 -0.024 0.000 0.204 341 K C 2.323 178.934 176.600 0.019 0.000 1.052 341 K CA 0.715 57.015 56.287 0.021 0.000 0.945 341 K CB -0.214 32.285 32.500 -0.003 0.000 0.722 341 K HN 0.144 nan 8.250 nan 0.000 0.443 342 V N 1.817 121.721 119.914 -0.017 0.000 2.307 342 V HA -0.223 3.883 4.120 -0.024 0.000 0.245 342 V C 2.299 178.440 176.094 0.078 0.000 1.045 342 V CA 1.558 63.854 62.300 -0.007 0.000 1.024 342 V CB -0.397 31.375 31.823 -0.086 0.000 0.651 342 V HN 0.313 nan 8.190 nan 0.000 0.449 343 Q N 0.011 119.892 119.800 0.135 0.000 2.119 343 Q HA -0.151 4.174 4.340 -0.024 0.000 0.201 343 Q C 2.103 178.284 176.000 0.301 0.000 0.972 343 Q CA 1.169 57.117 55.803 0.242 0.000 0.847 343 Q CB -0.762 28.194 28.738 0.362 0.000 0.903 343 Q HN 0.595 nan 8.270 nan 0.000 0.433 344 N N 1.128 119.975 118.700 0.245 0.000 2.149 344 N HA -0.115 4.611 4.740 -0.024 0.000 0.188 344 N C 1.685 177.299 175.510 0.174 0.000 1.019 344 N CA 1.454 54.638 53.050 0.225 0.000 0.857 344 N CB -0.291 38.272 38.487 0.127 0.000 0.997 344 N HN 0.298 nan 8.380 nan 0.000 0.426 345 A N 0.273 123.158 122.820 0.108 0.000 1.902 345 A HA -0.099 4.207 4.320 -0.024 0.000 0.217 345 A C 2.530 180.158 177.584 0.073 0.000 1.181 345 A CA 1.771 53.844 52.037 0.061 0.000 0.623 345 A CB -0.708 18.306 19.000 0.023 0.000 0.818 345 A HN 0.261 nan 8.150 nan 0.000 0.443 346 S N -1.565 114.185 115.700 0.084 0.000 2.355 346 S HA -0.118 4.338 4.470 -0.024 0.000 0.222 346 S C 1.835 176.428 174.600 -0.011 0.000 1.031 346 S CA 1.446 59.670 58.200 0.040 0.000 0.993 346 S CB -0.522 62.681 63.200 0.005 0.000 0.859 346 S HN 0.656 nan 8.310 nan 0.000 0.453 347 Y N 1.903 122.240 120.300 0.062 0.000 2.224 347 Y HA -0.131 4.405 4.550 -0.024 0.000 0.289 347 Y C 2.709 178.631 175.900 0.038 0.000 1.146 347 Y CA 1.334 59.454 58.100 0.034 0.000 1.182 347 Y CB -0.519 37.952 38.460 0.020 0.000 0.983 347 Y HN 0.317 nan 8.280 nan 0.000 0.524 348 Q N -0.019 119.892 119.800 0.185 0.000 2.096 348 Q HA -0.176 4.149 4.340 -0.024 0.000 0.204 348 Q C 2.135 178.191 176.000 0.094 0.000 0.982 348 Q CA 2.218 58.085 55.803 0.106 0.000 0.850 348 Q CB -0.228 28.543 28.738 0.054 0.000 0.901 348 Q HN 0.353 nan 8.270 nan 0.000 0.422 349 V N 0.937 120.898 119.914 0.079 0.000 2.358 349 V HA -0.229 3.876 4.120 -0.024 0.000 0.246 349 V C 2.407 178.594 176.094 0.155 0.000 1.047 349 V CA 1.690 64.044 62.300 0.090 0.000 1.035 349 V CB -1.026 30.828 31.823 0.050 0.000 0.658 349 V HN 0.529 nan 8.190 nan 0.000 0.452 350 A N 0.111 123.006 122.820 0.124 0.000 1.902 350 A HA -0.141 4.164 4.320 -0.024 0.000 0.217 350 A C 2.418 180.049 177.584 0.079 0.000 1.181 350 A CA 2.157 54.252 52.037 0.098 0.000 0.623 350 A CB -0.810 18.215 19.000 0.042 0.000 0.818 350 A HN 0.570 nan 8.150 nan 0.000 0.443 351 A N -1.577 121.300 122.820 0.094 0.000 1.933 351 A HA -0.086 4.220 4.320 -0.024 0.000 0.218 351 A C 2.112 179.718 177.584 0.037 0.000 1.175 351 A CA 1.689 53.755 52.037 0.049 0.000 0.628 351 A CB -0.779 18.261 19.000 0.068 0.000 0.814 351 A HN 0.715 nan 8.150 nan 0.000 0.444 352 Y N 0.663 120.938 120.300 -0.042 0.000 2.070 352 Y HA -0.203 4.333 4.550 -0.024 0.000 0.280 352 Y C 1.998 177.846 175.900 -0.086 0.000 1.148 352 Y CA 1.948 60.010 58.100 -0.063 0.000 1.125 352 Y CB -0.558 37.867 38.460 -0.058 0.000 0.975 352 Y HN 0.213 nan 8.280 nan 0.000 0.492 353 L N -0.328 120.821 121.223 -0.123 0.000 2.079 353 L HA -0.246 4.079 4.340 -0.024 0.000 0.210 353 L C 2.759 179.484 176.870 -0.242 0.000 1.081 353 L CA 1.172 55.870 54.840 -0.235 0.000 0.752 353 L CB -1.080 40.942 42.059 -0.061 0.000 0.896 353 L HN 0.364 nan 8.230 nan 0.000 0.433 354 A N 0.105 122.821 122.820 -0.173 0.000 1.877 354 A HA -0.302 4.004 4.320 -0.024 0.000 0.216 354 A C 1.976 179.276 177.584 -0.474 0.000 1.186 354 A CA 2.225 54.091 52.037 -0.285 0.000 0.620 354 A CB -0.701 18.130 19.000 -0.283 0.000 0.822 354 A HN 0.439 nan 8.150 nan 0.000 0.443 355 D N -0.831 119.355 120.400 -0.357 0.000 2.097 355 D HA -0.149 4.477 4.640 -0.024 0.000 0.195 355 D C 1.954 178.072 176.300 -0.303 0.000 0.989 355 D CA 1.532 55.341 54.000 -0.319 0.000 0.827 355 D CB -0.034 40.635 40.800 -0.217 0.000 0.966 355 D HN 0.388 nan 8.370 nan 0.000 0.456 356 E N -0.022 119.948 120.200 -0.384 0.000 2.072 356 E HA -0.081 4.254 4.350 -0.024 0.000 0.190 356 E C 2.475 178.927 176.600 -0.247 0.000 0.982 356 E CA 0.433 56.620 56.400 -0.355 0.000 0.803 356 E CB -0.181 29.185 29.700 -0.557 0.000 0.755 356 E HN 0.495 nan 8.360 nan 0.000 0.453 357 I N 1.195 121.605 120.570 -0.267 0.000 2.394 357 I HA -0.214 3.942 4.170 -0.024 0.000 0.251 357 I C 2.420 178.552 176.117 0.024 0.000 1.136 357 I CA 0.808 61.976 61.300 -0.219 0.000 1.425 357 I CB -0.313 37.424 38.000 -0.438 0.000 1.079 357 I HN -0.023 nan 8.210 nan 0.000 0.425 358 A N 0.904 123.760 122.820 0.060 0.000 1.978 358 A HA -0.216 4.090 4.320 -0.024 0.000 0.220 358 A C 2.188 179.806 177.584 0.056 0.000 1.170 358 A CA 1.525 53.666 52.037 0.173 0.000 0.636 358 A CB -0.416 18.526 19.000 -0.097 0.000 0.810 358 A HN 0.361 nan 8.150 nan 0.000 0.448 359 K N -0.512 119.875 120.400 -0.023 0.000 2.525 359 K HA 0.177 4.482 4.320 -0.024 0.000 0.192 359 K C 0.896 177.484 176.600 -0.021 0.000 1.029 359 K CA 0.421 56.686 56.287 -0.036 0.000 1.029 359 K CB -0.091 32.374 32.500 -0.058 0.000 0.814 359 K HN 0.507 nan 8.250 nan 0.000 0.503 360 L N -0.753 120.481 121.223 0.019 0.000 2.616 360 L HA 0.233 4.558 4.340 -0.024 0.000 0.229 360 L C 0.889 177.752 176.870 -0.012 0.000 1.110 360 L CA -0.398 54.470 54.840 0.047 0.000 0.884 360 L CB 0.610 42.734 42.059 0.108 0.000 1.115 360 L HN 0.086 nan 8.230 nan 0.000 0.481 361 G N -0.160 108.478 108.800 -0.271 0.000 2.506 361 G HA2 0.291 4.236 3.960 -0.024 0.000 0.292 361 G HA3 0.291 4.236 3.960 -0.024 0.000 0.292 361 G C -2.978 171.353 174.900 -0.948 0.000 1.425 361 G CA -0.491 44.172 45.100 -0.728 0.000 0.788 361 G HN -0.314 nan 8.290 nan 0.000 0.490 362 P HA 0.268 nan 4.420 nan 0.000 0.244 362 P C -1.290 175.812 177.300 -0.329 0.000 1.769 362 P CA 0.092 62.955 63.100 -0.395 0.000 1.102 362 P CB -0.512 31.044 31.700 -0.240 0.000 1.937 363 Y N -0.072 120.217 120.300 -0.019 0.000 2.528 363 Y HA 0.529 5.065 4.550 -0.024 0.000 0.335 363 Y C 0.878 176.764 175.900 -0.023 0.000 1.093 363 Y CA -1.654 56.399 58.100 -0.078 0.000 1.134 363 Y CB 1.565 39.808 38.460 -0.362 0.000 1.253 363 Y HN 0.202 nan 8.280 nan 0.000 0.478 364 E N 1.734 122.011 120.200 0.128 0.000 2.191 364 E HA 0.469 4.805 4.350 -0.024 0.000 0.263 364 E C -1.895 174.757 176.600 0.087 0.000 0.881 364 E CA -0.522 55.967 56.400 0.149 0.000 0.757 364 E CB 0.729 30.489 29.700 0.100 0.000 1.147 364 E HN 0.427 nan 8.360 nan 0.000 0.414 365 F N 4.115 124.130 119.950 0.110 0.000 2.384 365 F HA 0.341 4.854 4.527 -0.025 0.000 0.338 365 F C 1.089 176.941 175.800 0.087 0.000 1.103 365 F CA -0.386 57.682 58.000 0.112 0.000 1.157 365 F CB 0.898 39.931 39.000 0.054 0.000 1.167 365 F HN 0.570 nan 8.300 nan 0.000 0.529 366 I N 0.438 121.143 120.570 0.225 0.000 3.616 366 I HA 0.076 4.232 4.170 -0.024 0.000 0.296 366 I C 0.050 176.256 176.117 0.149 0.000 1.226 366 I CA 0.613 62.004 61.300 0.152 0.000 1.394 366 I CB 0.723 38.777 38.000 0.090 0.000 1.171 366 I HN 0.464 nan 8.210 nan 0.000 0.442 367 C N 0.921 120.326 119.300 0.176 0.000 2.535 367 C HA 0.484 4.929 4.460 -0.024 0.000 0.319 367 C C 0.953 176.049 174.990 0.177 0.000 1.171 367 C CA -0.205 58.887 59.018 0.124 0.000 1.394 367 C CB 0.820 28.600 27.740 0.068 0.000 1.990 367 C HN 0.485 nan 8.230 nan 0.000 0.466 368 T N 0.301 114.914 114.554 0.098 0.000 3.288 368 T HA 0.411 4.747 4.350 -0.024 0.000 0.293 368 T C 1.010 175.731 174.700 0.034 0.000 1.008 368 T CA 0.697 62.823 62.100 0.043 0.000 0.929 368 T CB -0.009 68.816 68.868 -0.072 0.000 1.152 368 T HN 2.223 nan 8.240 nan 0.000 0.517 369 G N 2.369 111.208 108.800 0.065 0.000 2.225 369 G HA2 -0.248 3.697 3.960 -0.024 0.000 0.264 369 G HA3 -0.248 3.697 3.960 -0.024 0.000 0.264 369 G C -0.126 174.908 174.900 0.224 0.000 1.060 369 G CA -0.525 44.658 45.100 0.139 0.000 0.833 369 G HN 0.676 nan 8.290 nan 0.000 0.498 370 R N 0.265 120.827 120.500 0.103 0.000 2.207 370 R HA 0.276 4.602 4.340 -0.024 0.000 0.334 370 R C -1.080 175.170 176.300 -0.084 0.000 1.013 370 R CA -1.525 54.581 56.100 0.010 0.000 0.858 370 R CB 1.517 31.816 30.300 -0.002 0.000 1.094 370 R HN 0.109 nan 8.270 nan 0.000 0.457 371 P HA -0.202 nan 4.420 nan 0.000 0.220 371 P C 0.211 177.436 177.300 -0.125 0.000 1.144 371 P CA 1.370 64.100 63.100 -0.616 0.000 0.800 371 P CB 0.272 31.489 31.700 -0.805 0.000 0.772 372 D N -0.867 119.519 120.400 -0.023 0.000 2.350 372 D HA -0.063 4.563 4.640 -0.024 0.000 0.213 372 D C 1.365 177.834 176.300 0.282 0.000 1.031 372 D CA 0.479 54.560 54.000 0.135 0.000 0.861 372 D CB -0.497 40.348 40.800 0.076 0.000 0.926 372 D HN 0.266 nan 8.370 nan 0.000 0.520 373 E N -0.412 119.867 120.200 0.131 0.000 2.434 373 E HA 0.409 4.745 4.350 -0.024 0.000 0.207 373 E C 1.024 177.451 176.600 -0.288 0.000 0.929 373 E CA 0.241 56.709 56.400 0.114 0.000 1.001 373 E CB 1.209 30.939 29.700 0.050 0.000 1.016 373 E HN 0.288 nan 8.360 nan 0.000 0.502 374 G N 1.486 109.889 108.800 -0.661 0.000 2.435 374 G HA2 0.257 4.202 3.960 -0.024 0.000 0.228 374 G HA3 0.257 4.202 3.960 -0.024 0.000 0.228 374 G C -1.108 173.217 174.900 -0.958 0.000 1.198 374 G CA -0.581 43.624 45.100 -1.491 0.000 0.948 374 G HN 0.103 nan 8.290 nan 0.000 0.487 375 I N -1.157 119.014 120.570 -0.665 0.000 3.244 375 I HA 0.674 4.830 4.170 -0.024 0.000 0.314 375 I C -2.449 173.437 176.117 -0.385 0.000 1.043 375 I CA -2.399 58.625 61.300 -0.461 0.000 1.099 375 I CB 1.815 39.572 38.000 -0.406 0.000 1.449 375 I HN 0.096 nan 8.210 nan 0.000 0.625 376 P HA 0.352 nan 4.420 nan 0.000 0.247 376 P C -1.133 176.037 177.300 -0.217 0.000 1.756 376 P CA 0.091 62.835 63.100 -0.593 0.000 1.117 376 P CB 0.319 31.558 31.700 -0.769 0.000 1.869 377 A N 1.962 124.704 122.820 -0.131 0.000 2.587 377 A HA 0.699 5.005 4.320 -0.024 0.000 0.293 377 A C -1.263 176.325 177.584 0.007 0.000 1.087 377 A CA -0.613 51.380 52.037 -0.073 0.000 0.692 377 A CB 1.489 20.426 19.000 -0.106 0.000 1.291 377 A HN 0.098 nan 8.150 nan 0.000 0.407 378 V N 0.227 120.169 119.914 0.046 0.000 2.409 378 V HA 0.566 4.672 4.120 -0.024 0.000 0.291 378 V C -0.617 175.566 176.094 0.148 0.000 1.020 378 V CA -0.501 61.888 62.300 0.148 0.000 0.848 378 V CB 1.047 32.973 31.823 0.172 0.000 0.990 378 V HN 1.085 nan 8.190 nan 0.000 0.430 379 C N 7.721 127.130 119.300 0.183 0.000 2.431 379 C HA 0.939 5.384 4.460 -0.024 0.000 0.321 379 C C -0.838 174.179 174.990 0.044 0.000 1.202 379 C CA -0.719 58.318 59.018 0.032 0.000 1.398 379 C CB 0.156 27.908 27.740 0.020 0.000 2.047 379 C HN 0.882 nan 8.230 nan 0.000 0.465 380 F N 3.988 123.738 119.950 -0.333 0.000 2.711 380 F HA 0.833 5.345 4.527 -0.025 0.000 0.313 380 F C -1.095 174.464 175.800 -0.402 0.000 1.141 380 F CA -0.918 56.782 58.000 -0.500 0.000 0.941 380 F CB 1.081 39.404 39.000 -1.128 0.000 1.349 380 F HN 0.663 nan 8.300 nan 0.000 0.464 381 K N 1.139 121.464 120.400 -0.125 0.000 2.466 381 K HA 0.720 5.026 4.320 -0.024 0.000 0.260 381 K C -1.762 174.906 176.600 0.114 0.000 1.011 381 K CA -1.032 55.184 56.287 -0.118 0.000 0.871 381 K CB 2.355 34.785 32.500 -0.118 0.000 1.404 381 K HN 0.840 nan 8.250 nan 0.000 0.450 382 L N 1.866 123.150 121.223 0.102 0.000 2.426 382 L HA 0.235 4.561 4.340 -0.024 0.000 0.271 382 L C 0.218 177.124 176.870 0.060 0.000 1.169 382 L CA -0.562 54.369 54.840 0.152 0.000 0.836 382 L CB 0.457 42.550 42.059 0.055 0.000 1.112 382 L HN 0.549 nan 8.230 nan 0.000 0.465 383 K N 1.953 122.378 120.400 0.041 0.000 2.451 383 K HA 0.026 4.332 4.320 -0.024 0.000 0.280 383 K C -0.624 175.974 176.600 -0.004 0.000 1.020 383 K CA -0.520 55.777 56.287 0.017 0.000 1.008 383 K CB 0.220 32.720 32.500 -0.000 0.000 0.917 383 K HN 0.416 nan 8.250 nan 0.000 0.478 384 D N 1.449 121.849 120.400 -0.000 0.000 2.583 384 D HA -0.026 4.599 4.640 -0.024 0.000 0.232 384 D C 1.386 177.678 176.300 -0.014 0.000 1.128 384 D CA 1.532 55.528 54.000 -0.007 0.000 0.859 384 D CB 0.693 41.492 40.800 -0.002 0.000 1.169 384 D HN 0.815 nan 8.370 nan 0.000 0.481 385 G N 1.995 110.784 108.800 -0.019 0.000 2.253 385 G HA2 -0.260 3.685 3.960 -0.024 0.000 0.251 385 G HA3 -0.260 3.685 3.960 -0.024 0.000 0.251 385 G C 0.256 175.136 174.900 -0.034 0.000 0.998 385 G CA -0.083 45.004 45.100 -0.022 0.000 0.621 385 G HN 0.500 nan 8.290 nan 0.000 0.524 386 E N 1.134 121.307 120.200 -0.044 0.000 2.301 386 E HA 0.469 4.805 4.350 -0.024 0.000 0.275 386 E C -0.932 175.614 176.600 -0.090 0.000 1.030 386 E CA -0.286 56.074 56.400 -0.067 0.000 0.852 386 E CB 1.552 31.204 29.700 -0.080 0.000 1.060 386 E HN 0.297 nan 8.360 nan 0.000 0.401 387 D N 3.394 123.732 120.400 -0.104 0.000 2.389 387 D HA 0.176 4.802 4.640 -0.024 0.000 0.256 387 D C -1.795 174.405 176.300 -0.168 0.000 1.239 387 D CA -1.525 52.398 54.000 -0.128 0.000 0.925 387 D CB 1.155 41.908 40.800 -0.078 0.000 1.145 387 D HN 0.134 nan 8.370 nan 0.000 0.542 388 P HA 0.203 nan 4.420 nan 0.000 0.249 388 P C 0.821 177.992 177.300 -0.215 0.000 1.229 388 P CA 0.391 63.305 63.100 -0.309 0.000 0.788 388 P CB 0.571 31.949 31.700 -0.536 0.000 1.072 389 G N -0.302 108.385 108.800 -0.189 0.000 2.163 389 G HA2 -0.183 3.763 3.960 -0.024 0.000 0.213 389 G HA3 -0.183 3.763 3.960 -0.024 0.000 0.213 389 G C -0.185 174.777 174.900 0.103 0.000 0.991 389 G CA 0.022 45.118 45.100 -0.006 0.000 0.653 389 G HN 0.568 nan 8.290 nan 0.000 0.518 390 Y N -1.468 118.874 120.300 0.070 0.000 2.689 390 Y HA 0.779 5.315 4.550 -0.024 0.000 0.333 390 Y C -0.143 175.811 175.900 0.091 0.000 1.208 390 Y CA -0.836 57.317 58.100 0.089 0.000 1.055 390 Y CB 0.498 39.022 38.460 0.107 0.000 1.304 390 Y HN 0.712 nan 8.280 nan 0.000 0.455 391 T N -1.147 113.602 114.554 0.326 0.000 2.942 391 T HA 0.472 4.807 4.350 -0.024 0.000 0.289 391 T C 0.491 175.366 174.700 0.292 0.000 1.044 391 T CA -1.012 61.219 62.100 0.219 0.000 1.023 391 T CB 1.397 70.400 68.868 0.225 0.000 1.123 391 T HN 0.849 nan 8.240 nan 0.000 0.512 392 L N -0.159 121.102 121.223 0.062 0.000 2.275 392 L HA -0.030 4.295 4.340 -0.024 0.000 0.215 392 L C 2.145 178.974 176.870 -0.068 0.000 1.119 392 L CA 1.131 55.945 54.840 -0.044 0.000 0.790 392 L CB -0.699 41.176 42.059 -0.307 0.000 0.919 392 L HN 0.692 nan 8.230 nan 0.000 0.443 393 Y N 0.357 120.683 120.300 0.044 0.000 2.181 393 Y HA -0.245 4.291 4.550 -0.025 0.000 0.288 393 Y C 2.504 178.427 175.900 0.039 0.000 1.146 393 Y CA 1.123 59.242 58.100 0.030 0.000 1.164 393 Y CB -0.524 37.957 38.460 0.035 0.000 0.982 393 Y HN 0.234 nan 8.280 nan 0.000 0.515 394 D N -0.328 120.216 120.400 0.241 0.000 2.117 394 D HA -0.146 4.479 4.640 -0.024 0.000 0.198 394 D C 2.220 178.563 176.300 0.073 0.000 0.982 394 D CA 0.952 55.047 54.000 0.159 0.000 0.828 394 D CB -0.501 40.416 40.800 0.196 0.000 0.967 394 D HN 0.246 nan 8.370 nan 0.000 0.464 395 L N 0.885 122.135 121.223 0.046 0.000 2.017 395 L HA -0.131 4.195 4.340 -0.024 0.000 0.208 395 L C 2.370 179.187 176.870 -0.089 0.000 1.073 395 L CA 1.526 56.324 54.840 -0.070 0.000 0.745 395 L CB -0.860 41.160 42.059 -0.065 0.000 0.894 395 L HN -0.094 nan 8.230 nan 0.000 0.432 396 S N -0.903 114.776 115.700 -0.035 0.000 2.370 396 S HA -0.300 4.155 4.470 -0.024 0.000 0.226 396 S C 2.091 176.682 174.600 -0.015 0.000 1.033 396 S CA 1.770 59.951 58.200 -0.032 0.000 1.011 396 S CB -0.435 62.779 63.200 0.025 0.000 0.852 396 S HN 0.639 nan 8.310 nan 0.000 0.457 397 E N -0.071 120.138 120.200 0.015 0.000 2.077 397 E HA -0.163 4.173 4.350 -0.024 0.000 0.193 397 E C 2.352 178.931 176.600 -0.037 0.000 0.989 397 E CA 0.841 57.244 56.400 0.006 0.000 0.800 397 E CB -0.018 29.698 29.700 0.027 0.000 0.746 397 E HN 0.299 nan 8.360 nan 0.000 0.452 398 R N 0.345 120.806 120.500 -0.064 0.000 2.073 398 R HA -0.106 4.220 4.340 -0.024 0.000 0.234 398 R C 2.536 178.773 176.300 -0.105 0.000 1.134 398 R CA 0.879 56.910 56.100 -0.115 0.000 0.952 398 R CB -1.013 29.209 30.300 -0.130 0.000 0.850 398 R HN 0.323 nan 8.270 nan 0.000 0.433 399 L N 0.442 121.594 121.223 -0.117 0.000 2.127 399 L HA -0.140 4.185 4.340 -0.024 0.000 0.211 399 L C 2.533 179.450 176.870 0.078 0.000 1.089 399 L CA 1.095 55.898 54.840 -0.060 0.000 0.757 399 L CB -0.360 41.566 42.059 -0.222 0.000 0.899 399 L HN 0.037 nan 8.230 nan 0.000 0.434 400 R N 0.688 121.202 120.500 0.023 0.000 2.189 400 R HA -0.091 4.234 4.340 -0.024 0.000 0.223 400 R C 1.962 178.252 176.300 -0.017 0.000 1.092 400 R CA 1.181 57.296 56.100 0.025 0.000 0.989 400 R CB -0.552 29.756 30.300 0.012 0.000 0.876 400 R HN 0.321 nan 8.270 nan 0.000 0.457 401 L N -0.213 120.986 121.223 -0.040 0.000 2.362 401 L HA -0.043 4.282 4.340 -0.024 0.000 0.219 401 L C 1.594 178.421 176.870 -0.073 0.000 1.134 401 L CA 0.859 55.657 54.840 -0.070 0.000 0.807 401 L CB -0.159 41.833 42.059 -0.111 0.000 0.927 401 L HN 0.056 nan 8.230 nan 0.000 0.447 402 R N -0.249 120.221 120.500 -0.050 0.000 2.432 402 R HA 0.218 4.544 4.340 -0.024 0.000 0.260 402 R C 1.150 177.272 176.300 -0.296 0.000 0.935 402 R CA 0.701 56.736 56.100 -0.108 0.000 1.080 402 R CB 0.758 31.071 30.300 0.022 0.000 1.155 402 R HN 0.367 nan 8.270 nan 0.000 0.531 403 G N 0.425 109.100 108.800 -0.208 0.000 2.194 403 G HA2 -0.235 3.710 3.960 -0.024 0.000 0.236 403 G HA3 -0.235 3.710 3.960 -0.024 0.000 0.236 403 G C -0.303 174.468 174.900 -0.215 0.000 0.987 403 G CA -0.209 44.742 45.100 -0.249 0.000 0.635 403 G HN 0.299 nan 8.290 nan 0.000 0.520 404 W N 1.354 122.623 121.300 -0.052 0.000 2.272 404 W HA 0.635 5.282 4.660 -0.023 0.000 0.318 404 W C 0.781 177.266 176.519 -0.058 0.000 1.255 404 W CA -0.591 56.716 57.345 -0.063 0.000 1.200 404 W CB 0.683 30.083 29.460 -0.100 0.000 1.170 404 W HN 0.063 nan 8.180 nan 0.000 0.549 405 Q N 2.543 122.476 119.800 0.221 0.000 2.509 405 Q HA 0.338 4.663 4.340 -0.024 0.000 0.236 405 Q C -0.966 175.089 176.000 0.091 0.000 1.073 405 Q CA -0.490 55.383 55.803 0.116 0.000 0.867 405 Q CB 1.353 30.138 28.738 0.078 0.000 1.181 405 Q HN 0.257 nan 8.270 nan 0.000 0.526 406 V N 5.111 125.064 119.914 0.065 0.000 2.326 406 V HA 0.321 4.426 4.120 -0.024 0.000 0.281 406 V C -1.959 174.159 176.094 0.041 0.000 1.015 406 V CA -1.800 60.517 62.300 0.029 0.000 0.823 406 V CB 1.119 32.937 31.823 -0.008 0.000 1.009 406 V HN 0.587 nan 8.190 nan 0.000 0.436 407 P HA 0.402 nan 4.420 nan 0.000 0.271 407 P C -0.745 176.611 177.300 0.093 0.000 1.216 407 P CA -0.076 63.127 63.100 0.173 0.000 0.776 407 P CB 1.658 33.533 31.700 0.291 0.000 0.881 408 A N 3.795 126.667 122.820 0.088 0.000 2.343 408 A HA 0.814 5.120 4.320 -0.024 0.000 0.308 408 A C -0.868 176.720 177.584 0.005 0.000 1.092 408 A CA -0.525 51.380 52.037 -0.220 0.000 0.751 408 A CB 0.576 19.385 19.000 -0.318 0.000 1.203 408 A HN 0.543 nan 8.150 nan 0.000 0.452 409 F N -0.556 119.330 119.950 -0.107 0.000 2.713 409 F HA 0.760 5.272 4.527 -0.024 0.000 0.311 409 F C 0.036 175.838 175.800 0.003 0.000 1.141 409 F CA -0.593 57.435 58.000 0.047 0.000 0.939 409 F CB 0.906 39.960 39.000 0.089 0.000 1.325 409 F HN 0.517 nan 8.300 nan 0.000 0.453 410 T N 0.410 115.132 114.554 0.281 0.000 2.913 410 T HA 0.668 5.003 4.350 -0.024 0.000 0.287 410 T C -0.144 174.690 174.700 0.222 0.000 1.008 410 T CA -0.710 61.480 62.100 0.151 0.000 1.067 410 T CB 1.083 70.041 68.868 0.149 0.000 0.996 410 T HN 0.729 nan 8.240 nan 0.000 0.513 411 L N 1.418 122.704 121.223 0.104 0.000 2.468 411 L HA 0.612 4.937 4.340 -0.024 0.000 0.254 411 L C 1.401 178.278 176.870 0.011 0.000 1.171 411 L CA -0.803 54.090 54.840 0.088 0.000 0.809 411 L CB 0.391 42.475 42.059 0.042 0.000 1.155 411 L HN 0.980 nan 8.230 nan 0.000 0.473 412 G N -1.142 107.610 108.800 -0.079 0.000 2.641 412 G HA2 0.545 4.490 3.960 -0.024 0.000 0.239 412 G HA3 0.545 4.490 3.960 -0.024 0.000 0.239 412 G C 0.322 175.184 174.900 -0.064 0.000 1.402 412 G CA -0.061 44.987 45.100 -0.085 0.000 1.046 412 G HN 0.973 nan 8.290 nan 0.000 0.565 413 G N -0.267 108.500 108.800 -0.056 0.000 2.622 413 G HA2 -0.297 3.649 3.960 -0.024 0.000 0.307 413 G HA3 -0.297 3.649 3.960 -0.024 0.000 0.307 413 G C 0.807 175.689 174.900 -0.031 0.000 1.226 413 G CA 1.009 46.084 45.100 -0.041 0.000 0.997 413 G HN 0.733 nan 8.290 nan 0.000 0.551 414 E N 1.291 121.471 120.200 -0.034 0.000 2.476 414 E HA 0.534 4.870 4.350 -0.024 0.000 0.191 414 E C 1.790 178.376 176.600 -0.023 0.000 1.064 414 E CA 1.051 57.435 56.400 -0.027 0.000 0.866 414 E CB 0.156 29.836 29.700 -0.033 0.000 0.952 414 E HN 0.950 nan 8.360 nan 0.000 0.492 415 A N -0.104 122.702 122.820 -0.023 0.000 2.574 415 A HA 0.085 4.391 4.320 -0.024 0.000 0.283 415 A C 1.682 179.262 177.584 -0.006 0.000 1.270 415 A CA 0.218 52.246 52.037 -0.016 0.000 0.945 415 A CB -0.532 18.458 19.000 -0.017 0.000 1.127 415 A HN 0.222 nan 8.150 nan 0.000 0.522 416 T N -1.144 113.408 114.554 -0.003 0.000 2.996 416 T HA -0.176 4.159 4.350 -0.024 0.000 0.271 416 T C 1.118 175.831 174.700 0.022 0.000 1.126 416 T CA 1.420 63.528 62.100 0.012 0.000 1.103 416 T CB -0.433 68.440 68.868 0.010 0.000 0.870 416 T HN 0.616 nan 8.240 nan 0.000 0.528 417 D N 0.265 120.672 120.400 0.011 0.000 2.348 417 D HA 0.059 4.684 4.640 -0.024 0.000 0.211 417 D C 0.289 176.592 176.300 0.005 0.000 0.998 417 D CA -0.233 53.775 54.000 0.014 0.000 0.873 417 D CB -0.178 40.626 40.800 0.007 0.000 0.925 417 D HN 0.374 nan 8.370 nan 0.000 0.524 418 I N 1.345 121.911 120.570 -0.008 0.000 2.396 418 I HA 0.109 4.265 4.170 -0.024 0.000 0.292 418 I C -0.096 175.978 176.117 -0.072 0.000 0.999 418 I CA -0.914 60.363 61.300 -0.038 0.000 1.310 418 I CB 1.985 39.962 38.000 -0.039 0.000 1.404 418 I HN -0.251 nan 8.210 nan 0.000 0.496 419 V N 6.937 126.770 119.914 -0.135 0.000 2.417 419 V HA 0.636 4.742 4.120 -0.024 0.000 0.291 419 V C -0.122 175.738 176.094 -0.389 0.000 1.024 419 V CA -0.705 61.437 62.300 -0.263 0.000 0.861 419 V CB 1.658 33.290 31.823 -0.317 0.000 0.985 419 V HN 0.562 nan 8.190 nan 0.000 0.436 420 V N 2.782 122.355 119.914 -0.568 0.000 3.046 420 V HA 0.785 4.890 4.120 -0.024 0.000 0.316 420 V C -0.580 174.971 176.094 -0.905 0.000 1.104 420 V CA -0.961 60.923 62.300 -0.693 0.000 1.006 420 V CB 2.140 33.607 31.823 -0.594 0.000 1.058 420 V HN 0.888 nan 8.190 nan 0.000 0.440 421 M N 3.232 122.259 119.600 -0.956 0.000 2.321 421 M HA 0.648 5.114 4.480 -0.024 0.000 0.315 421 M C -0.829 175.094 176.300 -0.628 0.000 1.052 421 M CA -0.636 54.170 55.300 -0.823 0.000 0.936 421 M CB 1.649 33.654 32.600 -0.992 0.000 1.639 421 M HN 0.959 nan 8.290 nan 0.000 0.433 422 R N 5.523 125.852 120.500 -0.286 0.000 2.513 422 R HA 0.652 4.978 4.340 -0.024 0.000 0.301 422 R C -1.948 174.331 176.300 -0.035 0.000 0.968 422 R CA -0.485 55.561 56.100 -0.090 0.000 0.872 422 R CB 1.330 31.692 30.300 0.103 0.000 1.177 422 R HN 0.839 nan 8.270 nan 0.000 0.444 423 I N 5.166 125.716 120.570 -0.033 0.000 2.362 423 I HA 0.303 4.459 4.170 -0.024 0.000 0.289 423 I C -0.210 175.837 176.117 -0.116 0.000 0.994 423 I CA -0.868 60.396 61.300 -0.061 0.000 1.158 423 I CB 1.810 39.802 38.000 -0.014 0.000 1.315 423 I HN 0.394 nan 8.210 nan 0.000 0.451 424 M N 5.330 124.809 119.600 -0.201 0.000 2.144 424 M HA 0.254 4.719 4.480 -0.024 0.000 0.356 424 M C -0.712 175.451 176.300 -0.229 0.000 1.217 424 M CA -0.455 54.693 55.300 -0.254 0.000 1.087 424 M CB 0.928 33.308 32.600 -0.367 0.000 1.609 424 M HN 0.547 nan 8.290 nan 0.000 0.467 425 C N 5.117 124.371 119.300 -0.077 0.000 2.170 425 C HA 0.466 4.912 4.460 -0.024 0.000 0.339 425 C C 0.864 175.939 174.990 0.143 0.000 1.056 425 C CA -0.893 58.184 59.018 0.098 0.000 1.535 425 C CB -0.836 27.017 27.740 0.187 0.000 1.785 425 C HN 0.782 nan 8.230 nan 0.000 0.440 426 R N 0.832 121.389 120.500 0.094 0.000 2.549 426 R HA 0.503 4.829 4.340 -0.024 0.000 0.259 426 R C 0.500 176.898 176.300 0.163 0.000 1.095 426 R CA -0.828 55.326 56.100 0.090 0.000 1.148 426 R CB 0.845 31.116 30.300 -0.048 0.000 1.181 426 R HN 0.594 nan 8.270 nan 0.000 0.571 427 R N 0.190 120.766 120.500 0.128 0.000 2.570 427 R HA 0.032 4.357 4.340 -0.024 0.000 0.277 427 R C 0.334 176.694 176.300 0.100 0.000 1.039 427 R CA 1.454 57.620 56.100 0.110 0.000 1.065 427 R CB 0.063 30.431 30.300 0.114 0.000 0.964 427 R HN 0.891 nan 8.270 nan 0.000 0.428 428 G N 3.327 112.125 108.800 -0.004 0.000 2.176 428 G HA2 -0.267 3.678 3.960 -0.024 0.000 0.232 428 G HA3 -0.267 3.678 3.960 -0.024 0.000 0.232 428 G C -0.321 174.651 174.900 0.119 0.000 0.986 428 G CA 0.073 45.111 45.100 -0.103 0.000 0.643 428 G HN 0.584 nan 8.290 nan 0.000 0.522 429 F N 3.676 123.660 119.950 0.057 0.000 2.438 429 F HA 0.448 4.959 4.527 -0.026 0.000 0.315 429 F C 0.802 176.686 175.800 0.141 0.000 1.258 429 F CA -1.650 56.476 58.000 0.210 0.000 1.180 429 F CB 0.002 39.114 39.000 0.186 0.000 1.412 429 F HN 0.319 nan 8.300 nan 0.000 0.544 430 E N 1.487 121.659 120.200 -0.046 0.000 2.408 430 E HA -0.081 4.255 4.350 -0.024 0.000 0.259 430 E C 1.263 177.726 176.600 -0.228 0.000 1.110 430 E CA -0.294 56.027 56.400 -0.132 0.000 0.929 430 E CB 0.719 30.345 29.700 -0.123 0.000 0.971 430 E HN 0.569 nan 8.360 nan 0.000 0.438 431 M N 1.648 121.124 119.600 -0.207 0.000 2.103 431 M HA -0.271 4.194 4.480 -0.024 0.000 0.255 431 M C 1.549 177.722 176.300 -0.211 0.000 1.074 431 M CA 2.696 57.841 55.300 -0.258 0.000 1.090 431 M CB -0.742 31.698 32.600 -0.268 0.000 1.325 431 M HN 0.803 nan 8.290 nan 0.000 0.403 432 D N -1.380 118.947 120.400 -0.121 0.000 2.144 432 D HA -0.197 4.428 4.640 -0.024 0.000 0.199 432 D C 1.729 178.065 176.300 0.061 0.000 0.984 432 D CA 1.164 55.142 54.000 -0.038 0.000 0.834 432 D CB -0.196 40.595 40.800 -0.015 0.000 0.955 432 D HN 0.413 nan 8.370 nan 0.000 0.465 433 F N 0.867 120.728 119.950 -0.149 0.000 2.186 433 F HA 0.113 4.628 4.527 -0.020 0.000 0.299 433 F C 2.124 177.853 175.800 -0.118 0.000 1.090 433 F CA 1.145 59.110 58.000 -0.059 0.000 1.307 433 F CB -0.690 38.286 39.000 -0.040 0.000 1.019 433 F HN 0.028 nan 8.300 nan 0.000 0.489 434 A N -0.488 122.049 122.820 -0.472 0.000 1.969 434 A HA -0.175 4.130 4.320 -0.024 0.000 0.218 434 A C 2.055 179.560 177.584 -0.132 0.000 1.169 434 A CA 1.591 53.291 52.037 -0.561 0.000 0.635 434 A CB -0.751 17.871 19.000 -0.630 0.000 0.810 434 A HN 0.384 nan 8.150 nan 0.000 0.445 435 E N 0.303 120.484 120.200 -0.031 0.000 2.150 435 E HA -0.103 4.233 4.350 -0.024 0.000 0.193 435 E C 1.750 178.390 176.600 0.066 0.000 0.985 435 E CA 0.985 57.435 56.400 0.084 0.000 0.814 435 E CB -0.388 29.350 29.700 0.063 0.000 0.752 435 E HN 0.615 nan 8.360 nan 0.000 0.466 436 L N -0.116 121.150 121.223 0.072 0.000 2.093 436 L HA -0.125 4.200 4.340 -0.024 0.000 0.208 436 L C 2.389 179.343 176.870 0.141 0.000 1.085 436 L CA 0.768 55.698 54.840 0.149 0.000 0.755 436 L CB -0.442 41.763 42.059 0.243 0.000 0.904 436 L HN 0.276 nan 8.230 nan 0.000 0.435 437 L N -0.277 120.903 121.223 -0.071 0.000 2.056 437 L HA -0.196 4.129 4.340 -0.024 0.000 0.207 437 L C 2.309 179.139 176.870 -0.066 0.000 1.078 437 L CA 1.479 56.059 54.840 -0.434 0.000 0.749 437 L CB -0.425 41.153 42.059 -0.801 0.000 0.901 437 L HN 0.095 nan 8.230 nan 0.000 0.433 438 L N -0.084 121.143 121.223 0.007 0.000 2.042 438 L HA -0.218 4.108 4.340 -0.024 0.000 0.210 438 L C 2.395 179.319 176.870 0.089 0.000 1.076 438 L CA 1.873 56.741 54.840 0.047 0.000 0.749 438 L CB -0.760 41.291 42.059 -0.014 0.000 0.893 438 L HN 0.417 nan 8.230 nan 0.000 0.432 439 E N -0.676 119.570 120.200 0.076 0.000 2.085 439 E HA -0.234 4.101 4.350 -0.024 0.000 0.194 439 E C 1.721 178.371 176.600 0.083 0.000 0.994 439 E CA 1.365 57.813 56.400 0.080 0.000 0.801 439 E CB -0.164 29.588 29.700 0.087 0.000 0.743 439 E HN 0.566 nan 8.360 nan 0.000 0.453 440 D N -0.324 120.127 120.400 0.084 0.000 2.219 440 D HA -0.122 4.503 4.640 -0.024 0.000 0.205 440 D C 1.578 177.856 176.300 -0.038 0.000 0.970 440 D CA 0.860 54.889 54.000 0.047 0.000 0.851 440 D CB -0.162 40.712 40.800 0.124 0.000 0.943 440 D HN 0.222 nan 8.370 nan 0.000 0.488 441 Y N 1.378 121.635 120.300 -0.072 0.000 2.200 441 Y HA -0.098 4.438 4.550 -0.025 0.000 0.290 441 Y C 2.342 178.219 175.900 -0.038 0.000 1.137 441 Y CA 1.184 59.239 58.100 -0.075 0.000 1.163 441 Y CB 0.093 38.496 38.460 -0.096 0.000 0.988 441 Y HN -0.120 nan 8.280 nan 0.000 0.518 442 K N -0.542 119.944 120.400 0.144 0.000 2.097 442 K HA -0.149 4.156 4.320 -0.024 0.000 0.206 442 K C 2.294 178.935 176.600 0.070 0.000 1.049 442 K CA 1.130 57.472 56.287 0.091 0.000 0.933 442 K CB -0.319 32.222 32.500 0.068 0.000 0.717 442 K HN 0.264 nan 8.250 nan 0.000 0.442 443 A N 0.883 123.739 122.820 0.059 0.000 1.930 443 A HA -0.104 4.201 4.320 -0.024 0.000 0.217 443 A C 2.166 179.785 177.584 0.058 0.000 1.175 443 A CA 1.551 53.623 52.037 0.058 0.000 0.627 443 A CB -0.352 18.675 19.000 0.045 0.000 0.815 443 A HN 0.142 nan 8.150 nan 0.000 0.443 444 S N 0.009 115.711 115.700 0.005 0.000 2.368 444 S HA -0.058 4.398 4.470 -0.024 0.000 0.224 444 S C 1.823 176.430 174.600 0.011 0.000 1.029 444 S CA 1.318 59.504 58.200 -0.024 0.000 0.988 444 S CB -0.424 62.696 63.200 -0.134 0.000 0.838 444 S HN 0.524 nan 8.310 nan 0.000 0.462 445 L N 1.278 122.494 121.223 -0.013 0.000 2.046 445 L HA -0.128 4.198 4.340 -0.024 0.000 0.208 445 L C 2.567 179.471 176.870 0.056 0.000 1.077 445 L CA 1.335 56.154 54.840 -0.034 0.000 0.747 445 L CB -0.481 41.587 42.059 0.014 0.000 0.896 445 L HN 0.286 nan 8.230 nan 0.000 0.432 446 K N -0.472 119.979 120.400 0.087 0.000 2.097 446 K HA -0.251 4.055 4.320 -0.024 0.000 0.206 446 K C 2.276 178.961 176.600 0.142 0.000 1.049 446 K CA 1.457 57.804 56.287 0.101 0.000 0.933 446 K CB -0.222 32.335 32.500 0.095 0.000 0.717 446 K HN 0.135 nan 8.250 nan 0.000 0.442 447 Y N 1.279 121.615 120.300 0.059 0.000 2.145 447 Y HA -0.162 4.374 4.550 -0.023 0.000 0.286 447 Y C 1.711 177.714 175.900 0.172 0.000 1.145 447 Y CA 1.530 59.695 58.100 0.108 0.000 1.148 447 Y CB -0.071 38.388 38.460 -0.001 0.000 0.981 447 Y HN -0.005 nan 8.280 nan 0.000 0.507 448 L N -0.250 121.105 121.223 0.221 0.000 2.191 448 L HA -0.214 4.112 4.340 -0.024 0.000 0.212 448 L C 2.611 179.563 176.870 0.136 0.000 1.103 448 L CA 1.566 56.507 54.840 0.168 0.000 0.769 448 L CB -0.743 41.373 42.059 0.095 0.000 0.908 448 L HN 0.379 nan 8.230 nan 0.000 0.438 449 S N -1.685 114.078 115.700 0.106 0.000 2.436 449 S HA -0.109 4.347 4.470 -0.024 0.000 0.228 449 S C 1.371 175.969 174.600 -0.003 0.000 1.014 449 S CA 0.773 59.019 58.200 0.076 0.000 0.950 449 S CB -0.148 63.095 63.200 0.072 0.000 0.784 449 S HN 0.328 nan 8.310 nan 0.000 0.504 450 D N 0.939 121.313 120.400 -0.044 0.000 2.349 450 D HA 0.133 4.758 4.640 -0.024 0.000 0.215 450 D C -0.375 175.602 176.300 -0.540 0.000 1.016 450 D CA 0.635 54.500 54.000 -0.226 0.000 0.870 450 D CB -0.006 40.669 40.800 -0.208 0.000 0.917 450 D HN 0.602 nan 8.370 nan 0.000 0.524 451 H N -1.428 117.512 119.070 -0.217 0.000 2.488 451 H HA 0.234 4.776 4.556 -0.024 0.000 0.237 451 H C -1.870 173.426 175.328 -0.053 0.000 1.395 451 H CA -1.357 54.582 56.048 -0.180 0.000 1.491 451 H CB 1.353 30.918 29.762 -0.327 0.000 1.567 451 H HN -0.130 nan 8.280 nan 0.000 0.508 452 P HA -0.200 nan 4.420 nan 0.000 0.216 452 P C 1.212 178.554 177.300 0.070 0.000 1.150 452 P CA 1.377 64.508 63.100 0.052 0.000 0.843 452 P CB 0.410 32.118 31.700 0.014 0.000 0.787 453 K N -0.541 119.897 120.400 0.063 0.000 2.218 453 K HA -0.125 4.180 4.320 -0.024 0.000 0.205 453 K C 1.837 178.489 176.600 0.086 0.000 1.046 453 K CA 1.025 57.351 56.287 0.066 0.000 0.933 453 K CB -0.699 31.838 32.500 0.061 0.000 0.728 453 K HN 0.231 nan 8.250 nan 0.000 0.454 454 L N 1.107 122.400 121.223 0.117 0.000 2.353 454 L HA -0.126 4.200 4.340 -0.024 0.000 0.220 454 L C 1.393 178.340 176.870 0.129 0.000 1.133 454 L CA 0.383 55.301 54.840 0.129 0.000 0.798 454 L CB -0.475 41.684 42.059 0.167 0.000 0.922 454 L HN 0.307 nan 8.230 nan 0.000 0.445 455 Q N 1.063 120.937 119.800 0.124 0.000 2.247 455 Q HA 0.316 4.642 4.340 -0.024 0.000 0.288 455 Q C 0.498 176.554 176.000 0.095 0.000 1.079 455 Q CA 0.713 56.589 55.803 0.121 0.000 0.932 455 Q CB 0.370 29.163 28.738 0.091 0.000 1.133 455 Q HN 0.304 nan 8.270 nan 0.000 0.377 456 G N 0.000 108.865 108.800 0.109 0.000 5.446 456 G HA2 0.000 3.945 3.960 -0.024 0.000 0.244 456 G HA3 0.000 3.945 3.960 -0.024 0.000 0.244 456 G CA 0.000 45.151 45.100 0.085 0.000 0.502 456 G HN 0.000 nan 8.290 nan 0.000 0.925