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 2pbi_1_B DATA FIRST_RESID 9 DATA SEQUENCE NETLASLKSE AESLKGKLEE ERAKLHDVEL HQVAERVEAL GQFVMKTRRT DATA SEQUENCE LKGHGNKVLC MDWCKDKRRI VSSSQDGKVI VWDSFTTNKE HAVTMPCTWV DATA SEQUENCE MACAYAPSGC AIACGGLDNK CSVYPLTFDK NENMAAKKKS VAMHTNYLSA DATA SEQUENCE CSFTNSDMQI LTASGDGTCA LWDVESGQLL QSFHGHGADV LCLDLAPSET DATA SEQUENCE GNTFVSGGCD KKAMVWDMRS GQCVQAFETH ESDVNSVRYY PSGDAFASGS DATA SEQUENCE DDATCRLYDL RADREVAIYS KESIIFGASS VDFSLSGRLL FAGYNDYTIN DATA SEQUENCE VWDVLKGSRV SILFGHENRV STLRVSPDGT AFCSGSWDHT LRVWA 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.509 175.510 -0.001 0.000 1.280 9 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 9 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 10 E N 0.813 121.012 120.200 -0.002 0.000 2.106 10 E HA -0.057 4.250 4.350 -0.072 0.000 0.192 10 E C 0.866 177.465 176.600 -0.003 0.000 0.984 10 E CA 1.457 57.856 56.400 -0.002 0.000 0.806 10 E CB 0.057 29.756 29.700 -0.002 0.000 0.750 10 E HN 0.643 nan 8.360 nan 0.000 0.458 11 T N 2.489 117.042 114.554 -0.003 0.000 2.746 11 T HA -0.117 4.190 4.350 -0.072 0.000 0.267 11 T C 1.969 176.666 174.700 -0.004 0.000 1.039 11 T CA 0.693 62.791 62.100 -0.004 0.000 1.142 11 T CB -0.249 68.617 68.868 -0.004 0.000 0.866 11 T HN 0.101 nan 8.240 nan 0.000 0.444 12 L N 0.538 121.759 121.223 -0.003 0.000 2.017 12 L HA -0.108 4.189 4.340 -0.072 0.000 0.208 12 L C 2.864 179.733 176.870 -0.003 0.000 1.073 12 L CA 1.618 56.457 54.840 -0.002 0.000 0.745 12 L CB -0.696 41.362 42.059 -0.001 0.000 0.894 12 L HN 0.293 nan 8.230 nan 0.000 0.432 13 A N -1.055 121.763 122.820 -0.002 0.000 1.902 13 A HA -0.204 4.072 4.320 -0.072 0.000 0.217 13 A C 2.385 179.967 177.584 -0.004 0.000 1.181 13 A CA 2.091 54.126 52.037 -0.003 0.000 0.623 13 A CB -0.618 18.381 19.000 -0.002 0.000 0.818 13 A HN 0.497 nan 8.150 nan 0.000 0.443 14 S N -0.257 115.441 115.700 -0.004 0.000 2.368 14 S HA -0.046 4.381 4.470 -0.072 0.000 0.224 14 S C 1.830 176.426 174.600 -0.007 0.000 1.029 14 S CA 1.305 59.502 58.200 -0.006 0.000 0.988 14 S CB -0.426 62.771 63.200 -0.005 0.000 0.838 14 S HN 0.505 nan 8.310 nan 0.000 0.462 15 L N 1.165 122.384 121.223 -0.007 0.000 2.046 15 L HA -0.142 4.155 4.340 -0.072 0.000 0.208 15 L C 2.419 179.284 176.870 -0.009 0.000 1.077 15 L CA 1.282 56.117 54.840 -0.008 0.000 0.747 15 L CB -0.436 41.618 42.059 -0.007 0.000 0.896 15 L HN 0.249 nan 8.230 nan 0.000 0.432 16 K N -0.783 119.613 120.400 -0.007 0.000 2.097 16 K HA -0.157 4.119 4.320 -0.072 0.000 0.206 16 K C 2.403 178.998 176.600 -0.008 0.000 1.049 16 K CA 1.479 57.761 56.287 -0.007 0.000 0.933 16 K CB -0.205 32.292 32.500 -0.005 0.000 0.717 16 K HN 0.110 nan 8.250 nan 0.000 0.442 17 S N 1.043 116.739 115.700 -0.008 0.000 2.382 17 S HA -0.186 4.240 4.470 -0.072 0.000 0.228 17 S C 1.987 176.581 174.600 -0.010 0.000 1.027 17 S CA 1.548 59.743 58.200 -0.008 0.000 0.991 17 S CB -0.083 63.113 63.200 -0.007 0.000 0.823 17 S HN 0.264 nan 8.310 nan 0.000 0.469 18 E N 1.322 121.515 120.200 -0.011 0.000 2.072 18 E HA 0.068 4.375 4.350 -0.072 0.000 0.191 18 E C 1.990 178.581 176.600 -0.016 0.000 0.985 18 E CA 1.411 57.803 56.400 -0.013 0.000 0.801 18 E CB -0.696 28.997 29.700 -0.012 0.000 0.750 18 E HN 0.486 nan 8.360 nan 0.000 0.452 19 A N 0.907 123.718 122.820 -0.016 0.000 1.933 19 A HA -0.172 4.105 4.320 -0.072 0.000 0.218 19 A C 2.061 179.633 177.584 -0.020 0.000 1.175 19 A CA 1.669 53.694 52.037 -0.020 0.000 0.628 19 A CB -0.544 18.445 19.000 -0.018 0.000 0.814 19 A HN 0.203 nan 8.150 nan 0.000 0.444 20 E N -0.269 119.921 120.200 -0.016 0.000 2.106 20 E HA -0.111 4.196 4.350 -0.072 0.000 0.192 20 E C 2.327 178.918 176.600 -0.016 0.000 0.984 20 E CA 1.145 57.536 56.400 -0.016 0.000 0.806 20 E CB -0.574 29.119 29.700 -0.012 0.000 0.750 20 E HN 0.561 nan 8.360 nan 0.000 0.458 21 S N 0.533 116.223 115.700 -0.016 0.000 2.359 21 S HA -0.117 4.310 4.470 -0.072 0.000 0.224 21 S C 2.083 176.671 174.600 -0.019 0.000 1.035 21 S CA 0.922 59.112 58.200 -0.016 0.000 1.018 21 S CB -0.159 63.032 63.200 -0.015 0.000 0.876 21 S HN 0.174 nan 8.310 nan 0.000 0.448 22 L N 0.957 122.166 121.223 -0.022 0.000 2.156 22 L HA -0.006 4.291 4.340 -0.072 0.000 0.208 22 L C 2.691 179.543 176.870 -0.031 0.000 1.095 22 L CA 1.329 56.154 54.840 -0.027 0.000 0.770 22 L CB -0.429 41.613 42.059 -0.028 0.000 0.914 22 L HN 0.341 nan 8.230 nan 0.000 0.439 23 K N 0.384 120.766 120.400 -0.030 0.000 2.057 23 K HA -0.157 4.120 4.320 -0.072 0.000 0.207 23 K C 2.028 178.612 176.600 -0.026 0.000 1.049 23 K CA 1.522 57.789 56.287 -0.033 0.000 0.931 23 K CB -0.280 32.203 32.500 -0.030 0.000 0.714 23 K HN 0.325 nan 8.250 nan 0.000 0.440 24 G N 0.907 109.694 108.800 -0.021 0.000 2.421 24 G HA2 -0.243 3.674 3.960 -0.072 0.000 0.217 24 G HA3 -0.243 3.674 3.960 -0.072 0.000 0.217 24 G C 1.456 176.343 174.900 -0.021 0.000 1.143 24 G CA 0.736 45.826 45.100 -0.018 0.000 0.784 24 G HN 0.299 nan 8.290 nan 0.000 0.541 25 K N -0.370 120.015 120.400 -0.024 0.000 2.057 25 K HA 0.045 4.322 4.320 -0.072 0.000 0.206 25 K C 2.321 178.902 176.600 -0.031 0.000 1.050 25 K CA 0.844 57.115 56.287 -0.026 0.000 0.935 25 K CB -0.254 32.230 32.500 -0.025 0.000 0.715 25 K HN 0.218 nan 8.250 nan 0.000 0.439 26 L N 1.801 123.005 121.223 -0.033 0.000 2.046 26 L HA -0.130 4.167 4.340 -0.072 0.000 0.208 26 L C 1.763 178.615 176.870 -0.031 0.000 1.077 26 L CA 1.810 56.627 54.840 -0.037 0.000 0.747 26 L CB -0.414 41.618 42.059 -0.045 0.000 0.896 26 L HN 0.237 nan 8.230 nan 0.000 0.432 27 E N -0.717 119.470 120.200 -0.022 0.000 2.070 27 E HA -0.290 4.017 4.350 -0.072 0.000 0.197 27 E C 2.058 178.645 176.600 -0.022 0.000 1.004 27 E CA 1.474 57.870 56.400 -0.006 0.000 0.805 27 E CB -0.053 29.646 29.700 -0.001 0.000 0.744 27 E HN 0.434 nan 8.360 nan 0.000 0.451 28 E N 0.602 120.782 120.200 -0.032 0.000 2.152 28 E HA -0.144 4.163 4.350 -0.072 0.000 0.192 28 E C 1.768 178.326 176.600 -0.071 0.000 0.983 28 E CA 0.806 57.179 56.400 -0.045 0.000 0.818 28 E CB 0.088 29.768 29.700 -0.034 0.000 0.758 28 E HN 0.114 nan 8.360 nan 0.000 0.467 29 E N 0.153 120.313 120.200 -0.067 0.000 2.106 29 E HA -0.110 4.197 4.350 -0.072 0.000 0.192 29 E C 1.988 178.512 176.600 -0.126 0.000 0.984 29 E CA 0.663 57.016 56.400 -0.078 0.000 0.806 29 E CB -0.026 29.641 29.700 -0.055 0.000 0.750 29 E HN 0.149 nan 8.360 nan 0.000 0.458 30 R N 0.283 120.699 120.500 -0.140 0.000 2.090 30 R HA 0.087 4.384 4.340 -0.072 0.000 0.228 30 R C 2.163 178.039 176.300 -0.707 0.000 1.110 30 R CA 0.998 56.945 56.100 -0.256 0.000 0.973 30 R CB -0.757 29.525 30.300 -0.031 0.000 0.869 30 R HN 0.116 nan 8.270 nan 0.000 0.440 31 A N 1.733 124.311 122.820 -0.403 0.000 1.972 31 A HA -0.156 4.120 4.320 -0.072 0.000 0.219 31 A C 2.007 179.423 177.584 -0.280 0.000 1.169 31 A CA 1.295 53.138 52.037 -0.324 0.000 0.635 31 A CB -0.296 18.661 19.000 -0.072 0.000 0.810 31 A HN 0.241 nan 8.150 nan 0.000 0.446 32 K N -0.807 119.461 120.400 -0.221 0.000 2.160 32 K HA -0.123 4.154 4.320 -0.072 0.000 0.206 32 K C 1.024 177.541 176.600 -0.138 0.000 1.047 32 K CA 1.446 57.649 56.287 -0.139 0.000 0.930 32 K CB -0.291 32.147 32.500 -0.104 0.000 0.720 32 K HN 0.439 nan 8.250 nan 0.000 0.450 33 L N -0.254 120.836 121.223 -0.221 0.000 2.607 33 L HA 0.057 4.354 4.340 -0.072 0.000 0.228 33 L C 0.115 176.982 176.870 -0.005 0.000 1.123 33 L CA 0.207 54.979 54.840 -0.113 0.000 0.890 33 L CB -0.095 41.917 42.059 -0.078 0.000 1.103 33 L HN 0.115 nan 8.230 nan 0.000 0.468 34 H N 0.545 119.603 119.070 -0.020 0.000 2.982 34 H HA 0.056 4.569 4.556 -0.071 0.000 0.261 34 H C 0.302 175.609 175.328 -0.036 0.000 1.603 34 H CA -0.410 55.621 56.048 -0.029 0.000 1.398 34 H CB 0.221 29.966 29.762 -0.028 0.000 1.693 34 H HN 0.241 nan 8.280 nan 0.000 0.535 35 D N 1.293 121.736 120.400 0.071 0.000 2.367 35 D HA 0.009 4.606 4.640 -0.072 0.000 0.207 35 D C 0.520 176.813 176.300 -0.011 0.000 1.034 35 D CA 0.125 54.136 54.000 0.018 0.000 0.861 35 D CB 0.652 41.455 40.800 0.005 0.000 0.943 35 D HN 0.294 nan 8.370 nan 0.000 0.515 36 V N -0.097 119.800 119.914 -0.028 0.000 3.178 36 V HA 0.287 4.364 4.120 -0.072 0.000 0.302 36 V C -1.640 174.375 176.094 -0.132 0.000 1.262 36 V CA -0.823 61.429 62.300 -0.080 0.000 1.030 36 V CB 2.629 34.406 31.823 -0.076 0.000 1.074 36 V HN -0.090 nan 8.190 nan 0.000 0.438 37 E N 2.602 122.667 120.200 -0.226 0.000 2.222 37 E HA 0.282 4.589 4.350 -0.072 0.000 0.272 37 E C 0.418 176.814 176.600 -0.339 0.000 0.982 37 E CA -0.561 55.648 56.400 -0.319 0.000 0.842 37 E CB 2.103 31.506 29.700 -0.494 0.000 1.144 37 E HN 0.627 nan 8.360 nan 0.000 0.397 38 L N 3.535 124.607 121.223 -0.252 0.000 2.079 38 L HA -0.214 4.083 4.340 -0.072 0.000 0.210 38 L C 2.314 179.107 176.870 -0.128 0.000 1.081 38 L CA 2.020 56.761 54.840 -0.165 0.000 0.752 38 L CB -0.782 41.201 42.059 -0.128 0.000 0.896 38 L HN 0.649 nan 8.230 nan 0.000 0.433 39 H N -1.417 117.613 119.070 -0.067 0.000 2.456 39 H HA -0.145 4.368 4.556 -0.071 0.000 0.296 39 H C 1.679 176.989 175.328 -0.030 0.000 1.079 39 H CA 1.429 57.451 56.048 -0.043 0.000 1.322 39 H CB -0.323 29.409 29.762 -0.050 0.000 1.388 39 H HN 0.568 nan 8.280 nan 0.000 0.538 40 Q N 0.896 120.498 119.800 -0.330 0.000 2.049 40 Q HA -0.023 4.274 4.340 -0.072 0.000 0.198 40 Q C 2.815 178.766 176.000 -0.081 0.000 0.971 40 Q CA 1.298 57.006 55.803 -0.157 0.000 0.833 40 Q CB 0.163 28.768 28.738 -0.223 0.000 0.896 40 Q HN 0.266 nan 8.270 nan 0.000 0.434 41 V N 1.099 120.952 119.914 -0.101 0.000 2.469 41 V HA -0.218 3.859 4.120 -0.072 0.000 0.251 41 V C 1.899 177.979 176.094 -0.024 0.000 1.064 41 V CA 1.761 64.027 62.300 -0.057 0.000 1.066 41 V CB -0.688 31.096 31.823 -0.065 0.000 0.667 41 V HN 0.359 nan 8.190 nan 0.000 0.461 42 A N -1.164 121.649 122.820 -0.011 0.000 2.337 42 A HA 0.099 4.376 4.320 -0.072 0.000 0.227 42 A C 1.878 179.481 177.584 0.033 0.000 1.259 42 A CA 0.094 52.143 52.037 0.019 0.000 0.870 42 A CB -0.410 18.612 19.000 0.036 0.000 0.927 42 A HN 0.538 nan 8.150 nan 0.000 0.497 43 E N 0.021 120.238 120.200 0.028 0.000 2.219 43 E HA -0.172 4.135 4.350 -0.072 0.000 0.198 43 E C 0.846 177.464 176.600 0.030 0.000 0.998 43 E CA 0.774 57.196 56.400 0.036 0.000 0.818 43 E CB 0.083 29.800 29.700 0.028 0.000 0.741 43 E HN 0.296 nan 8.360 nan 0.000 0.477 44 R N 0.025 120.540 120.500 0.024 0.000 2.629 44 R HA 0.126 4.423 4.340 -0.072 0.000 0.408 44 R C -0.112 176.203 176.300 0.026 0.000 1.057 44 R CA -0.046 56.067 56.100 0.023 0.000 1.119 44 R CB 0.289 30.600 30.300 0.017 0.000 1.403 44 R HN 0.013 nan 8.270 nan 0.000 0.576 45 V N -0.873 119.059 119.914 0.031 0.000 2.963 45 V HA 0.188 4.265 4.120 -0.072 0.000 0.306 45 V C 0.569 176.684 176.094 0.035 0.000 1.077 45 V CA -0.631 61.690 62.300 0.035 0.000 1.124 45 V CB 0.882 32.732 31.823 0.044 0.000 0.987 45 V HN 0.134 nan 8.190 nan 0.000 0.487 46 E N 2.338 122.559 120.200 0.035 0.000 2.384 46 E HA 0.442 4.749 4.350 -0.072 0.000 0.266 46 E C 0.525 177.147 176.600 0.038 0.000 1.012 46 E CA 0.099 56.520 56.400 0.034 0.000 0.901 46 E CB 1.005 30.724 29.700 0.032 0.000 0.967 46 E HN 1.081 nan 8.360 nan 0.000 0.435 47 A N 3.656 126.496 122.820 0.034 0.000 2.466 47 A HA 0.161 4.438 4.320 -0.072 0.000 0.238 47 A C 0.124 177.733 177.584 0.041 0.000 1.074 47 A CA -0.258 51.801 52.037 0.036 0.000 0.774 47 A CB 0.207 19.225 19.000 0.030 0.000 1.015 47 A HN 0.572 nan 8.150 nan 0.000 0.498 48 L N 1.244 122.495 121.223 0.045 0.000 2.453 48 L HA 0.410 4.707 4.340 -0.072 0.000 0.261 48 L C 1.433 178.336 176.870 0.054 0.000 1.179 48 L CA -0.191 54.683 54.840 0.056 0.000 0.813 48 L CB 0.334 42.433 42.059 0.066 0.000 1.110 48 L HN 0.885 nan 8.230 nan 0.000 0.466 49 G N 0.272 109.106 108.800 0.058 0.000 2.588 49 G HA2 0.120 4.037 3.960 -0.072 0.000 0.278 49 G HA3 0.120 4.037 3.960 -0.072 0.000 0.278 49 G C -0.516 174.428 174.900 0.073 0.000 1.307 49 G CA -0.446 44.686 45.100 0.053 0.000 1.016 49 G HN 0.631 nan 8.290 nan 0.000 0.503 50 Q N -0.995 118.844 119.800 0.065 0.000 2.330 50 Q HA 0.113 4.410 4.340 -0.072 0.000 0.279 50 Q C -0.873 175.199 176.000 0.120 0.000 1.024 50 Q CA -0.224 55.632 55.803 0.089 0.000 0.900 50 Q CB 0.388 29.165 28.738 0.064 0.000 1.221 50 Q HN 0.345 nan 8.270 nan 0.000 0.396 51 F N 4.625 124.587 119.950 0.019 0.000 2.438 51 F HA 0.255 4.737 4.527 -0.074 0.000 0.356 51 F C 0.344 176.176 175.800 0.053 0.000 1.099 51 F CA -0.234 57.785 58.000 0.032 0.000 1.185 51 F CB 0.754 39.754 39.000 0.001 0.000 1.115 51 F HN 0.375 nan 8.300 nan 0.000 0.526 52 V N 3.684 123.377 119.914 -0.368 0.000 3.265 52 V HA 0.311 4.388 4.120 -0.072 0.000 0.346 52 V C -0.004 175.978 176.094 -0.186 0.000 1.447 52 V CA -0.506 61.710 62.300 -0.140 0.000 1.179 52 V CB -0.782 31.004 31.823 -0.061 0.000 1.103 52 V HN 0.726 nan 8.190 nan 0.000 0.530 53 M N 2.914 122.250 119.600 -0.440 0.000 2.238 53 M HA 0.495 4.932 4.480 -0.072 0.000 0.347 53 M C 0.042 176.486 176.300 0.240 0.000 1.173 53 M CA 0.628 55.867 55.300 -0.100 0.000 1.147 53 M CB 1.073 33.624 32.600 -0.082 0.000 1.547 53 M HN 0.572 nan 8.290 nan 0.000 0.455 54 K N 0.546 121.095 120.400 0.248 0.000 2.495 54 K HA 0.533 4.810 4.320 -0.072 0.000 0.268 54 K C -1.148 175.476 176.600 0.041 0.000 1.008 54 K CA -0.988 55.462 56.287 0.270 0.000 0.882 54 K CB 1.075 33.640 32.500 0.109 0.000 1.443 54 K HN 0.393 nan 8.250 nan 0.000 0.447 55 T N 2.126 116.463 114.554 -0.362 0.000 2.817 55 T HA 0.107 4.414 4.350 -0.072 0.000 0.295 55 T C 0.730 175.195 174.700 -0.391 0.000 0.958 55 T CA -0.371 61.268 62.100 -0.769 0.000 1.157 55 T CB 0.361 68.634 68.868 -0.992 0.000 0.898 55 T HN 0.395 nan 8.240 nan 0.000 0.536 56 R N 2.176 122.472 120.500 -0.341 0.000 2.225 56 R HA 0.226 4.523 4.340 -0.072 0.000 0.194 56 R C 0.420 176.584 176.300 -0.226 0.000 0.957 56 R CA 0.370 56.343 56.100 -0.211 0.000 1.042 56 R CB 0.358 30.585 30.300 -0.123 0.000 1.004 56 R HN 0.390 nan 8.270 nan 0.000 0.509 57 R N 0.353 120.684 120.500 -0.281 0.000 2.673 57 R HA 0.414 4.710 4.340 -0.072 0.000 0.281 57 R C -0.953 175.157 176.300 -0.316 0.000 0.991 57 R CA -0.380 55.565 56.100 -0.259 0.000 0.896 57 R CB 2.131 32.303 30.300 -0.214 0.000 1.201 57 R HN -0.176 nan 8.270 nan 0.000 0.457 58 T N 3.276 117.669 114.554 -0.270 0.000 2.815 58 T HA 0.447 4.754 4.350 -0.072 0.000 0.289 58 T C 0.083 174.629 174.700 -0.257 0.000 1.000 58 T CA -0.595 61.347 62.100 -0.262 0.000 0.958 58 T CB 0.947 69.686 68.868 -0.215 0.000 0.944 58 T HN 0.227 nan 8.240 nan 0.000 0.442 59 L N 4.194 125.196 121.223 -0.368 0.000 2.259 59 L HA 0.469 4.766 4.340 -0.072 0.000 0.288 59 L C 0.378 177.071 176.870 -0.296 0.000 1.051 59 L CA -0.526 53.950 54.840 -0.606 0.000 0.824 59 L CB 0.367 41.584 42.059 -1.403 0.000 1.206 59 L HN 0.359 nan 8.230 nan 0.000 0.429 60 K N 2.248 122.644 120.400 -0.007 0.000 2.244 60 K HA 0.691 4.968 4.320 -0.072 0.000 0.260 60 K C 0.538 177.327 176.600 0.315 0.000 0.951 60 K CA -0.267 56.108 56.287 0.146 0.000 0.826 60 K CB 2.273 34.816 32.500 0.072 0.000 1.108 60 K HN 0.748 nan 8.250 nan 0.000 0.433 61 G N 1.380 110.344 108.800 0.274 0.000 3.724 61 G HA2 -0.105 3.812 3.960 -0.072 0.000 0.212 61 G HA3 -0.105 3.812 3.960 -0.072 0.000 0.212 61 G C -0.259 174.643 174.900 0.004 0.000 0.928 61 G CA -0.493 44.674 45.100 0.112 0.000 0.879 61 G HN 0.544 nan 8.290 nan 0.000 0.424 62 H N 0.842 120.010 119.070 0.163 0.000 2.815 62 H HA 0.361 4.874 4.556 -0.072 0.000 0.350 62 H C 1.519 176.815 175.328 -0.053 0.000 1.080 62 H CA 1.203 57.271 56.048 0.034 0.000 1.433 62 H CB 1.624 31.419 29.762 0.056 0.000 1.432 62 H HN 0.232 nan 8.280 nan 0.000 0.592 63 G N 2.156 110.944 108.800 -0.020 0.000 3.042 63 G HA2 -0.010 3.906 3.960 -0.072 0.000 0.212 63 G HA3 -0.010 3.906 3.960 -0.072 0.000 0.212 63 G C 0.581 175.196 174.900 -0.475 0.000 1.166 63 G CA 0.088 45.102 45.100 -0.144 0.000 0.767 63 G HN 0.630 nan 8.290 nan 0.000 0.546 64 N N -1.427 116.849 118.700 -0.706 0.000 3.364 64 N HA 0.238 4.935 4.740 -0.072 0.000 0.294 64 N C -1.008 174.068 175.510 -0.723 0.000 1.562 64 N CA -0.954 51.474 53.050 -1.036 0.000 0.862 64 N CB 0.950 39.091 38.487 -0.576 0.000 1.691 64 N HN -0.141 nan 8.380 nan 0.000 0.572 65 K N 0.824 120.931 120.400 -0.489 0.000 2.530 65 K HA 0.041 4.318 4.320 -0.072 0.000 0.280 65 K C -0.723 175.719 176.600 -0.263 0.000 1.004 65 K CA 0.131 56.251 56.287 -0.279 0.000 1.071 65 K CB 0.194 32.304 32.500 -0.649 0.000 0.876 65 K HN 0.145 nan 8.250 nan 0.000 0.487 66 V N 5.521 125.382 119.914 -0.087 0.000 2.530 66 V HA 0.019 4.096 4.120 -0.072 0.000 0.282 66 V C 1.238 177.339 176.094 0.010 0.000 1.048 66 V CA 0.025 62.239 62.300 -0.145 0.000 0.997 66 V CB 0.809 32.593 31.823 -0.065 0.000 0.987 66 V HN 0.691 nan 8.190 nan 0.000 0.477 67 L N 3.259 124.464 121.223 -0.029 0.000 2.609 67 L HA 0.378 4.675 4.340 -0.072 0.000 0.230 67 L C 0.600 177.529 176.870 0.098 0.000 1.064 67 L CA 0.515 55.412 54.840 0.095 0.000 0.873 67 L CB 0.815 42.920 42.059 0.076 0.000 1.139 67 L HN 0.688 nan 8.230 nan 0.000 0.490 68 C N 0.827 120.159 119.300 0.054 0.000 3.284 68 C HA 0.670 5.087 4.460 -0.072 0.000 0.338 68 C C -1.283 173.752 174.990 0.075 0.000 1.237 68 C CA -0.797 58.268 59.018 0.078 0.000 1.276 68 C CB 1.644 29.438 27.740 0.089 0.000 1.601 68 C HN 0.317 nan 8.230 nan 0.000 0.494 69 M N 3.115 122.768 119.600 0.089 0.000 2.622 69 M HA 0.899 5.336 4.480 -0.072 0.000 0.276 69 M C -1.631 174.737 176.300 0.114 0.000 1.265 69 M CA -0.107 55.244 55.300 0.084 0.000 0.850 69 M CB 1.642 34.249 32.600 0.013 0.000 1.720 69 M HN 0.525 nan 8.290 nan 0.000 0.465 70 D N 0.206 120.685 120.400 0.132 0.000 2.927 70 D HA 0.522 5.119 4.640 -0.072 0.000 0.219 70 D C -2.124 174.322 176.300 0.243 0.000 1.248 70 D CA 0.096 54.235 54.000 0.230 0.000 0.861 70 D CB 1.436 42.416 40.800 0.300 0.000 1.677 70 D HN 0.676 nan 8.370 nan 0.000 0.511 71 W N 2.641 124.051 121.300 0.183 0.000 2.251 71 W HA 0.344 4.960 4.660 -0.073 0.000 0.329 71 W C 0.858 177.340 176.519 -0.062 0.000 1.234 71 W CA -0.545 56.854 57.345 0.090 0.000 1.228 71 W CB 0.710 30.201 29.460 0.052 0.000 1.135 71 W HN 0.298 nan 8.180 nan 0.000 0.576 72 C N 4.505 123.717 119.300 -0.147 0.000 2.652 72 C HA 0.076 4.493 4.460 -0.072 0.000 0.412 72 C C 1.723 176.622 174.990 -0.150 0.000 1.294 72 C CA -0.484 58.150 59.018 -0.640 0.000 2.127 72 C CB 0.379 27.527 27.740 -0.987 0.000 2.691 72 C HN 0.703 nan 8.230 nan 0.000 0.615 73 K N 2.599 122.918 120.400 -0.134 0.000 2.442 73 K HA -0.093 4.184 4.320 -0.072 0.000 0.198 73 K C 1.392 177.960 176.600 -0.053 0.000 1.044 73 K CA 1.361 57.616 56.287 -0.053 0.000 0.948 73 K CB -0.376 32.107 32.500 -0.029 0.000 0.762 73 K HN 0.926 nan 8.250 nan 0.000 0.472 74 D N 0.580 120.940 120.400 -0.066 0.000 2.378 74 D HA -0.137 4.460 4.640 -0.072 0.000 0.227 74 D C 0.108 176.399 176.300 -0.015 0.000 1.012 74 D CA 0.394 54.375 54.000 -0.030 0.000 0.905 74 D CB 0.038 40.832 40.800 -0.009 0.000 0.895 74 D HN 0.131 nan 8.370 nan 0.000 0.532 75 K N -1.730 118.668 120.400 -0.003 0.000 3.548 75 K HA -0.252 4.025 4.320 -0.072 0.000 0.296 75 K C 1.371 178.043 176.600 0.120 0.000 1.324 75 K CA 1.531 57.799 56.287 -0.033 0.000 0.976 75 K CB -1.370 31.068 32.500 -0.104 0.000 1.294 75 K HN 0.507 nan 8.250 nan 0.000 0.464 76 R N -0.527 120.107 120.500 0.222 0.000 2.470 76 R HA 0.256 4.553 4.340 -0.072 0.000 0.210 76 R C 0.474 176.972 176.300 0.329 0.000 0.873 76 R CA -0.694 55.602 56.100 0.327 0.000 1.015 76 R CB 0.208 30.622 30.300 0.190 0.000 1.348 76 R HN -0.172 nan 8.270 nan 0.000 0.650 77 R N 1.557 122.190 120.500 0.221 0.000 2.594 77 R HA 0.444 4.741 4.340 -0.072 0.000 0.272 77 R C -0.519 175.892 176.300 0.184 0.000 1.074 77 R CA -0.032 56.190 56.100 0.204 0.000 1.105 77 R CB 0.502 30.895 30.300 0.155 0.000 1.008 77 R HN 0.215 nan 8.270 nan 0.000 0.472 78 I N 1.272 122.002 120.570 0.267 0.000 2.619 78 I HA 0.279 4.406 4.170 -0.072 0.000 0.292 78 I C -0.975 175.413 176.117 0.452 0.000 1.100 78 I CA -1.116 60.297 61.300 0.188 0.000 1.043 78 I CB 2.369 40.252 38.000 -0.196 0.000 1.239 78 I HN 0.182 nan 8.210 nan 0.000 0.420 79 V N 5.844 126.005 119.914 0.413 0.000 2.472 79 V HA 0.774 4.851 4.120 -0.072 0.000 0.290 79 V C -0.280 175.965 176.094 0.252 0.000 1.037 79 V CA 0.083 62.539 62.300 0.261 0.000 0.908 79 V CB 1.870 33.714 31.823 0.034 0.000 0.985 79 V HN 0.877 nan 8.190 nan 0.000 0.454 80 S N 4.106 119.992 115.700 0.310 0.000 2.564 80 S HA 0.870 5.297 4.470 -0.072 0.000 0.274 80 S C -0.704 174.043 174.600 0.246 0.000 1.124 80 S CA -0.256 58.132 58.200 0.312 0.000 0.869 80 S CB 1.917 65.427 63.200 0.517 0.000 1.105 80 S HN 1.475 nan 8.310 nan 0.000 0.472 81 S N 0.359 116.077 115.700 0.030 0.000 2.569 81 S HA 0.866 5.293 4.470 -0.072 0.000 0.280 81 S C -0.668 173.757 174.600 -0.291 0.000 1.111 81 S CA -0.660 57.501 58.200 -0.064 0.000 0.887 81 S CB 1.659 64.856 63.200 -0.005 0.000 1.095 81 S HN 1.123 nan 8.310 nan 0.000 0.476 82 S N -0.147 115.377 115.700 -0.292 0.000 2.634 82 S HA 0.363 4.790 4.470 -0.072 0.000 0.296 82 S C 0.763 175.149 174.600 -0.356 0.000 1.104 82 S CA -0.558 57.406 58.200 -0.392 0.000 0.920 82 S CB 1.841 64.813 63.200 -0.382 0.000 1.111 82 S HN 0.919 nan 8.310 nan 0.000 0.493 83 Q N 0.867 120.339 119.800 -0.548 0.000 2.181 83 Q HA -0.184 4.112 4.340 -0.072 0.000 0.205 83 Q C 0.752 176.394 176.000 -0.597 0.000 0.980 83 Q CA 2.419 57.704 55.803 -0.864 0.000 0.862 83 Q CB -0.304 27.643 28.738 -1.317 0.000 0.905 83 Q HN 0.825 nan 8.270 nan 0.000 0.429 84 D N -1.814 118.343 120.400 -0.405 0.000 2.363 84 D HA 0.045 4.642 4.640 -0.072 0.000 0.226 84 D C 1.057 177.257 176.300 -0.166 0.000 1.020 84 D CA 0.901 54.743 54.000 -0.264 0.000 0.892 84 D CB 0.014 40.684 40.800 -0.218 0.000 0.900 84 D HN 0.450 nan 8.370 nan 0.000 0.531 85 G N -0.444 108.264 108.800 -0.154 0.000 2.176 85 G HA2 -0.257 3.660 3.960 -0.072 0.000 0.232 85 G HA3 -0.257 3.660 3.960 -0.072 0.000 0.232 85 G C 0.232 175.093 174.900 -0.064 0.000 0.986 85 G CA -0.025 45.026 45.100 -0.083 0.000 0.643 85 G HN 0.414 nan 8.290 nan 0.000 0.522 86 K N 0.764 121.129 120.400 -0.058 0.000 2.174 86 K HA 0.640 4.917 4.320 -0.072 0.000 0.275 86 K C -0.288 176.333 176.600 0.035 0.000 1.015 86 K CA -0.291 55.980 56.287 -0.027 0.000 0.933 86 K CB 1.599 34.098 32.500 -0.002 0.000 1.025 86 K HN 0.128 nan 8.250 nan 0.000 0.463 87 V N 5.815 125.709 119.914 -0.033 0.000 2.540 87 V HA 0.495 4.572 4.120 -0.072 0.000 0.302 87 V C -0.051 175.980 176.094 -0.106 0.000 1.035 87 V CA -0.830 61.461 62.300 -0.015 0.000 0.873 87 V CB 1.695 33.446 31.823 -0.120 0.000 0.992 87 V HN 0.613 nan 8.190 nan 0.000 0.428 88 I N 4.256 124.774 120.570 -0.087 0.000 2.509 88 I HA 0.540 4.667 4.170 -0.072 0.000 0.293 88 I C -0.771 175.163 176.117 -0.304 0.000 1.020 88 I CA -0.998 60.066 61.300 -0.393 0.000 1.088 88 I CB 2.388 39.840 38.000 -0.914 0.000 1.267 88 I HN 0.251 nan 8.210 nan 0.000 0.430 89 V N 4.790 124.533 119.914 -0.285 0.000 2.370 89 V HA 0.342 4.419 4.120 -0.072 0.000 0.283 89 V C -1.056 174.972 176.094 -0.110 0.000 1.023 89 V CA -0.420 61.857 62.300 -0.038 0.000 0.857 89 V CB 1.016 32.926 31.823 0.146 0.000 0.985 89 V HN 0.563 nan 8.190 nan 0.000 0.443 90 W N 1.896 123.236 121.300 0.068 0.000 2.627 90 W HA 0.515 5.133 4.660 -0.070 0.000 0.339 90 W C -0.025 176.540 176.519 0.075 0.000 1.058 90 W CA -1.002 56.361 57.345 0.031 0.000 1.223 90 W CB 0.640 30.093 29.460 -0.011 0.000 1.389 90 W HN 0.463 nan 8.180 nan 0.000 0.541 91 D N 0.946 121.527 120.400 0.301 0.000 2.422 91 D HA 0.060 4.657 4.640 -0.072 0.000 0.227 91 D C 1.306 177.757 176.300 0.252 0.000 1.190 91 D CA 0.096 54.249 54.000 0.256 0.000 0.905 91 D CB 0.831 41.755 40.800 0.207 0.000 1.034 91 D HN 0.354 nan 8.370 nan 0.000 0.507 92 S N 3.112 118.942 115.700 0.217 0.000 2.447 92 S HA -0.167 4.260 4.470 -0.072 0.000 0.233 92 S C 1.869 176.549 174.600 0.134 0.000 1.006 92 S CA 0.106 58.363 58.200 0.096 0.000 0.957 92 S CB -0.567 62.602 63.200 -0.051 0.000 0.773 92 S HN 0.552 nan 8.310 nan 0.000 0.507 93 F N 3.510 123.510 119.950 0.082 0.000 2.146 93 F HA -0.082 4.403 4.527 -0.071 0.000 0.298 93 F C 2.688 178.510 175.800 0.037 0.000 1.096 93 F CA 1.750 59.786 58.000 0.060 0.000 1.275 93 F CB -0.424 38.618 39.000 0.070 0.000 1.008 93 F HN 0.414 nan 8.300 nan 0.000 0.480 94 T N -3.941 110.643 114.554 0.050 0.000 3.057 94 T HA 0.060 4.367 4.350 -0.072 0.000 0.254 94 T C 1.277 175.965 174.700 -0.020 0.000 1.094 94 T CA 0.991 63.067 62.100 -0.041 0.000 1.088 94 T CB -0.527 68.384 68.868 0.071 0.000 0.934 94 T HN 0.544 nan 8.240 nan 0.000 0.497 95 T N -1.041 113.539 114.554 0.044 0.000 6.412 95 T HA -0.218 4.089 4.350 -0.072 0.000 0.279 95 T C -0.078 174.751 174.700 0.215 0.000 2.177 95 T CA 0.672 62.836 62.100 0.106 0.000 3.599 95 T CB -2.820 66.062 68.868 0.023 0.000 1.259 95 T HN 0.534 nan 8.240 nan 0.000 1.146 96 N N 2.771 121.557 118.700 0.143 0.000 2.454 96 N HA 0.297 4.994 4.740 -0.072 0.000 0.260 96 N C 0.062 175.623 175.510 0.085 0.000 1.218 96 N CA 0.212 53.319 53.050 0.095 0.000 0.904 96 N CB 0.615 39.137 38.487 0.059 0.000 1.065 96 N HN 0.630 nan 8.380 nan 0.000 0.462 97 K N 2.032 122.406 120.400 -0.044 0.000 2.312 97 K HA 0.100 4.377 4.320 -0.072 0.000 0.287 97 K C 0.661 177.137 176.600 -0.206 0.000 1.062 97 K CA -0.058 56.088 56.287 -0.235 0.000 0.934 97 K CB 1.188 33.445 32.500 -0.405 0.000 1.027 97 K HN 0.539 nan 8.250 nan 0.000 0.478 98 E N 1.386 121.448 120.200 -0.230 0.000 2.340 98 E HA 0.038 4.344 4.350 -0.072 0.000 0.198 98 E C -0.062 176.121 176.600 -0.696 0.000 0.961 98 E CA 0.433 56.613 56.400 -0.367 0.000 0.905 98 E CB 0.519 30.058 29.700 -0.267 0.000 0.884 98 E HN 0.505 nan 8.360 nan 0.000 0.491 99 H N -1.036 117.930 119.070 -0.173 0.000 3.012 99 H HA 0.654 5.166 4.556 -0.072 0.000 0.367 99 H C -1.162 174.007 175.328 -0.265 0.000 1.211 99 H CA -0.752 55.180 56.048 -0.193 0.000 1.139 99 H CB 2.132 31.785 29.762 -0.181 0.000 1.838 99 H HN 0.032 nan 8.280 nan 0.000 0.550 100 A N 1.574 124.319 122.820 -0.125 0.000 2.517 100 A HA 0.553 4.830 4.320 -0.072 0.000 0.297 100 A C -1.477 175.989 177.584 -0.198 0.000 1.050 100 A CA -0.586 51.328 52.037 -0.206 0.000 0.694 100 A CB 1.958 20.818 19.000 -0.232 0.000 1.277 100 A HN 0.376 nan 8.150 nan 0.000 0.400 101 V N 1.674 121.442 119.914 -0.243 0.000 2.808 101 V HA 0.746 4.823 4.120 -0.072 0.000 0.308 101 V C -0.666 175.306 176.094 -0.204 0.000 1.099 101 V CA -0.181 61.960 62.300 -0.266 0.000 0.920 101 V CB 2.500 34.012 31.823 -0.517 0.000 1.014 101 V HN 1.022 nan 8.190 nan 0.000 0.425 102 T N 7.904 122.377 114.554 -0.135 0.000 2.744 102 T HA 0.488 4.795 4.350 -0.072 0.000 0.291 102 T C 0.101 174.773 174.700 -0.046 0.000 0.957 102 T CA -0.253 61.795 62.100 -0.086 0.000 1.002 102 T CB 0.779 69.608 68.868 -0.065 0.000 0.919 102 T HN 0.619 nan 8.240 nan 0.000 0.468 103 M N 4.540 124.125 119.600 -0.025 0.000 2.240 103 M HA 0.193 4.630 4.480 -0.072 0.000 0.333 103 M C -1.039 175.277 176.300 0.028 0.000 1.110 103 M CA -1.977 53.347 55.300 0.041 0.000 1.173 103 M CB 0.705 33.339 32.600 0.056 0.000 1.458 103 M HN 0.328 nan 8.290 nan 0.000 0.458 104 P HA 0.008 nan 4.420 nan 0.000 0.239 104 P C -0.033 177.280 177.300 0.021 0.000 1.184 104 P CA 0.482 63.596 63.100 0.023 0.000 0.760 104 P CB -0.429 31.284 31.700 0.022 0.000 0.884 105 C N -1.938 117.379 119.300 0.029 0.000 2.779 105 C HA 0.810 5.227 4.460 -0.072 0.000 0.314 105 C C 0.730 175.740 174.990 0.033 0.000 1.231 105 C CA -0.547 58.495 59.018 0.040 0.000 1.652 105 C CB 1.412 29.186 27.740 0.057 0.000 2.198 105 C HN 0.223 nan 8.230 nan 0.000 0.483 106 T N -2.968 111.620 114.554 0.057 0.000 2.810 106 T HA 0.544 4.851 4.350 -0.072 0.000 0.277 106 T C -0.459 174.323 174.700 0.137 0.000 0.973 106 T CA -0.154 61.962 62.100 0.027 0.000 0.949 106 T CB 0.021 68.909 68.868 0.034 0.000 1.075 106 T HN 1.402 nan 8.240 nan 0.000 0.537 107 W N -0.682 120.567 121.300 -0.083 0.000 5.820 107 W HA -0.102 4.514 4.660 -0.073 0.000 0.415 107 W C -0.496 175.988 176.519 -0.057 0.000 1.627 107 W CA -0.297 56.992 57.345 -0.093 0.000 0.991 107 W CB -2.045 27.348 29.460 -0.112 0.000 2.842 107 W HN 0.549 nan 8.180 nan 0.000 1.416 108 V N 2.751 122.705 119.914 0.066 0.000 2.287 108 V HA -0.062 4.015 4.120 -0.072 0.000 0.246 108 V C 1.413 177.553 176.094 0.077 0.000 1.165 108 V CA 0.518 62.856 62.300 0.063 0.000 1.088 108 V CB 0.164 31.996 31.823 0.014 0.000 1.242 108 V HN 0.356 nan 8.190 nan 0.000 0.497 109 M N 2.606 122.285 119.600 0.133 0.000 2.558 109 M HA 0.225 4.662 4.480 -0.072 0.000 0.255 109 M C 0.820 177.190 176.300 0.117 0.000 1.113 109 M CA 0.653 56.043 55.300 0.149 0.000 1.097 109 M CB 0.303 33.008 32.600 0.174 0.000 1.426 109 M HN 0.635 nan 8.290 nan 0.000 0.488 110 A N 0.138 123.015 122.820 0.095 0.000 2.374 110 A HA 0.655 4.932 4.320 -0.072 0.000 0.305 110 A C -0.773 176.854 177.584 0.072 0.000 1.053 110 A CA -0.939 51.147 52.037 0.083 0.000 0.726 110 A CB 0.910 19.952 19.000 0.070 0.000 1.229 110 A HN 0.501 nan 8.150 nan 0.000 0.431 111 C N 0.287 119.637 119.300 0.083 0.000 3.086 111 C HA 1.009 5.425 4.460 -0.072 0.000 0.311 111 C C -0.208 174.859 174.990 0.128 0.000 1.260 111 C CA -0.087 58.984 59.018 0.089 0.000 1.426 111 C CB 0.831 28.618 27.740 0.079 0.000 1.826 111 C HN 2.140 nan 8.230 nan 0.000 0.474 112 A N 1.146 124.061 122.820 0.159 0.000 2.515 112 A HA 0.770 5.047 4.320 -0.072 0.000 0.298 112 A C -1.899 175.892 177.584 0.344 0.000 1.059 112 A CA -0.362 51.834 52.037 0.265 0.000 0.698 112 A CB 1.095 20.249 19.000 0.257 0.000 1.289 112 A HN 1.079 nan 8.150 nan 0.000 0.404 113 Y N 1.368 121.831 120.300 0.272 0.000 2.320 113 Y HA 0.530 5.037 4.550 -0.072 0.000 0.334 113 Y C 0.831 176.760 175.900 0.048 0.000 1.055 113 Y CA 0.208 58.411 58.100 0.172 0.000 1.143 113 Y CB 1.464 40.005 38.460 0.135 0.000 1.193 113 Y HN 0.951 nan 8.280 nan 0.000 0.477 114 A N 7.589 130.323 122.820 -0.143 0.000 2.462 114 A HA 0.250 4.527 4.320 -0.072 0.000 0.243 114 A C -1.608 175.854 177.584 -0.204 0.000 1.076 114 A CA -1.143 50.408 52.037 -0.810 0.000 0.773 114 A CB -0.080 18.245 19.000 -1.125 0.000 1.010 114 A HN 0.680 nan 8.150 nan 0.000 0.493 115 P HA -0.161 nan 4.420 nan 0.000 0.222 115 P C 1.382 178.658 177.300 -0.041 0.000 1.147 115 P CA 1.796 64.868 63.100 -0.047 0.000 0.790 115 P CB -0.069 31.621 31.700 -0.016 0.000 0.780 116 S N -0.934 114.723 115.700 -0.073 0.000 2.453 116 S HA 0.085 4.512 4.470 -0.072 0.000 0.231 116 S C 1.824 176.430 174.600 0.010 0.000 1.005 116 S CA 0.907 59.088 58.200 -0.032 0.000 0.949 116 S CB -1.650 61.521 63.200 -0.049 0.000 0.774 116 S HN 0.311 nan 8.310 nan 0.000 0.510 117 G N -0.287 108.542 108.800 0.047 0.000 2.153 117 G HA2 -0.270 3.647 3.960 -0.072 0.000 0.252 117 G HA3 -0.270 3.647 3.960 -0.072 0.000 0.252 117 G C 0.436 175.432 174.900 0.160 0.000 0.994 117 G CA 0.208 45.410 45.100 0.171 0.000 0.698 117 G HN 0.659 nan 8.290 nan 0.000 0.521 118 C N 0.291 119.608 119.300 0.028 0.000 3.104 118 C HA 0.800 5.217 4.460 -0.072 0.000 0.284 118 C C 1.247 176.174 174.990 -0.106 0.000 1.326 118 C CA 0.532 59.523 59.018 -0.045 0.000 1.725 118 C CB -1.004 26.715 27.740 -0.035 0.000 2.156 118 C HN 1.324 nan 8.230 nan 0.000 0.638 119 A N 0.758 123.500 122.820 -0.129 0.000 2.612 119 A HA 0.861 5.138 4.320 -0.072 0.000 0.293 119 A C -1.238 176.243 177.584 -0.171 0.000 1.075 119 A CA -0.491 51.465 52.037 -0.134 0.000 0.680 119 A CB 0.968 19.926 19.000 -0.069 0.000 1.279 119 A HN 0.442 nan 8.150 nan 0.000 0.411 120 I N -2.158 118.389 120.570 -0.038 0.000 2.934 120 I HA 0.970 5.097 4.170 -0.072 0.000 0.306 120 I C -0.189 176.098 176.117 0.284 0.000 1.110 120 I CA -1.105 60.218 61.300 0.038 0.000 1.019 120 I CB 2.302 40.182 38.000 -0.201 0.000 1.227 120 I HN 1.039 nan 8.210 nan 0.000 0.434 121 A N 2.731 125.724 122.820 0.287 0.000 2.401 121 A HA 0.978 5.255 4.320 -0.072 0.000 0.310 121 A C -0.580 177.047 177.584 0.072 0.000 1.075 121 A CA -0.353 51.741 52.037 0.095 0.000 0.746 121 A CB 1.280 20.143 19.000 -0.227 0.000 1.277 121 A HN 1.409 nan 8.150 nan 0.000 0.425 122 C N -0.998 118.339 119.300 0.062 0.000 3.306 122 C HA 1.046 5.463 4.460 -0.072 0.000 0.335 122 C C 0.125 175.143 174.990 0.048 0.000 1.382 122 C CA -0.102 58.956 59.018 0.066 0.000 1.254 122 C CB 1.129 28.926 27.740 0.095 0.000 1.555 122 C HN 2.537 nan 8.230 nan 0.000 0.463 123 G N -0.995 107.835 108.800 0.051 0.000 2.315 123 G HA2 0.858 4.775 3.960 -0.072 0.000 0.294 123 G HA3 0.858 4.775 3.960 -0.072 0.000 0.294 123 G C -0.436 174.508 174.900 0.074 0.000 1.300 123 G CA 0.444 45.573 45.100 0.048 0.000 0.843 123 G HN 2.567 nan 8.290 nan 0.000 0.527 124 G N -1.713 107.141 108.800 0.090 0.000 2.667 124 G HA2 0.295 4.212 3.960 -0.072 0.000 0.081 124 G HA3 0.295 4.212 3.960 -0.072 0.000 0.081 124 G C 0.866 175.857 174.900 0.153 0.000 1.105 124 G CA 0.221 45.404 45.100 0.137 0.000 1.326 124 G HN 1.081 nan 8.290 nan 0.000 0.603 125 L N 2.207 123.517 121.223 0.145 0.000 2.450 125 L HA 0.020 4.317 4.340 -0.072 0.000 0.224 125 L C 2.214 179.141 176.870 0.095 0.000 1.149 125 L CA 1.834 56.746 54.840 0.120 0.000 0.816 125 L CB -0.349 41.778 42.059 0.114 0.000 0.932 125 L HN 0.656 nan 8.230 nan 0.000 0.449 126 D N -1.604 118.844 120.400 0.080 0.000 2.363 126 D HA -0.168 4.429 4.640 -0.072 0.000 0.226 126 D C 0.539 176.863 176.300 0.041 0.000 1.020 126 D CA 0.191 54.220 54.000 0.049 0.000 0.892 126 D CB -0.376 40.443 40.800 0.032 0.000 0.900 126 D HN 0.162 nan 8.370 nan 0.000 0.531 127 N N -0.511 118.228 118.700 0.065 0.000 2.741 127 N HA -0.188 4.509 4.740 -0.072 0.000 0.251 127 N C -0.646 174.888 175.510 0.040 0.000 1.112 127 N CA 0.994 54.083 53.050 0.066 0.000 0.750 127 N CB -1.439 37.084 38.487 0.060 0.000 1.119 127 N HN 0.490 nan 8.380 nan 0.000 0.561 128 K N -0.936 119.465 120.400 0.002 0.000 2.466 128 K HA 0.693 4.970 4.320 -0.072 0.000 0.260 128 K C -0.997 175.549 176.600 -0.091 0.000 1.011 128 K CA -0.600 55.638 56.287 -0.082 0.000 0.871 128 K CB 2.676 35.112 32.500 -0.107 0.000 1.404 128 K HN 0.145 nan 8.250 nan 0.000 0.450 129 C N 0.927 120.106 119.300 -0.201 0.000 2.396 129 C HA 0.704 5.121 4.460 -0.072 0.000 0.321 129 C C -0.875 173.974 174.990 -0.234 0.000 1.233 129 C CA -0.123 58.781 59.018 -0.190 0.000 1.440 129 C CB 0.350 27.956 27.740 -0.224 0.000 2.110 129 C HN 0.744 nan 8.230 nan 0.000 0.473 130 S N 3.198 118.795 115.700 -0.171 0.000 2.536 130 S HA 0.736 5.163 4.470 -0.072 0.000 0.298 130 S C -0.858 173.615 174.600 -0.211 0.000 1.083 130 S CA -0.523 57.538 58.200 -0.232 0.000 0.995 130 S CB 1.852 64.886 63.200 -0.276 0.000 1.058 130 S HN 0.689 nan 8.310 nan 0.000 0.488 131 V N 2.910 122.678 119.914 -0.243 0.000 2.435 131 V HA 0.466 4.543 4.120 -0.072 0.000 0.290 131 V C -1.458 174.500 176.094 -0.227 0.000 1.030 131 V CA -0.534 61.706 62.300 -0.100 0.000 0.881 131 V CB 0.851 32.688 31.823 0.023 0.000 0.983 131 V HN 0.834 nan 8.190 nan 0.000 0.445 132 Y N 5.719 126.008 120.300 -0.019 0.000 2.364 132 Y HA 0.525 5.032 4.550 -0.071 0.000 0.340 132 Y C -2.148 173.698 175.900 -0.090 0.000 0.975 132 Y CA -2.593 55.469 58.100 -0.062 0.000 1.089 132 Y CB 2.207 40.612 38.460 -0.092 0.000 1.192 132 Y HN 0.443 nan 8.280 nan 0.000 0.454 133 P HA 0.250 nan 4.420 nan 0.000 0.277 133 P C -1.026 176.190 177.300 -0.140 0.000 1.240 133 P CA -0.259 62.814 63.100 -0.045 0.000 0.798 133 P CB 1.532 33.211 31.700 -0.035 0.000 0.979 134 L N 1.950 123.024 121.223 -0.248 0.000 2.307 134 L HA 0.553 4.850 4.340 -0.072 0.000 0.284 134 L C 0.992 177.647 176.870 -0.359 0.000 1.023 134 L CA -0.365 54.186 54.840 -0.481 0.000 0.810 134 L CB 1.695 43.361 42.059 -0.656 0.000 1.231 134 L HN 0.479 nan 8.230 nan 0.000 0.423 135 T N -2.036 112.344 114.554 -0.290 0.000 2.887 135 T HA 0.533 4.840 4.350 -0.072 0.000 0.292 135 T C -0.054 174.481 174.700 -0.274 0.000 1.087 135 T CA -0.539 61.421 62.100 -0.234 0.000 1.009 135 T CB 1.332 70.164 68.868 -0.060 0.000 1.203 135 T HN 0.254 nan 8.240 nan 0.000 0.518 136 F N 0.305 120.316 119.950 0.101 0.000 2.730 136 F HA 0.301 4.785 4.527 -0.072 0.000 0.295 136 F C 0.479 176.308 175.800 0.047 0.000 1.143 136 F CA -0.938 57.108 58.000 0.078 0.000 1.367 136 F CB 0.088 39.121 39.000 0.055 0.000 0.970 136 F HN 0.398 nan 8.300 nan 0.000 0.514 137 D N 1.314 121.798 120.400 0.140 0.000 2.455 137 D HA 0.003 4.600 4.640 -0.072 0.000 0.241 137 D C 1.305 177.649 176.300 0.073 0.000 1.138 137 D CA 0.162 54.217 54.000 0.091 0.000 0.877 137 D CB 1.141 41.974 40.800 0.054 0.000 1.187 137 D HN 0.069 nan 8.370 nan 0.000 0.451 138 K N 1.574 122.008 120.400 0.056 0.000 1.985 138 K HA -0.086 4.191 4.320 -0.072 0.000 0.210 138 K C 0.531 177.140 176.600 0.015 0.000 1.047 138 K CA 0.942 57.250 56.287 0.035 0.000 0.932 138 K CB -0.022 32.493 32.500 0.026 0.000 0.716 138 K HN 0.313 nan 8.250 nan 0.000 0.439 139 N N 2.462 121.169 118.700 0.012 0.000 3.209 139 N HA -0.006 4.691 4.740 -0.072 0.000 0.309 139 N C -0.645 174.866 175.510 0.003 0.000 1.384 139 N CA 0.051 53.102 53.050 0.000 0.000 1.173 139 N CB 0.236 38.721 38.487 -0.002 0.000 1.460 139 N HN 0.244 nan 8.380 nan 0.000 0.534 140 E N 0.964 121.168 120.200 0.007 0.000 2.480 140 E HA -0.100 4.207 4.350 -0.072 0.000 0.258 140 E C -0.383 176.219 176.600 0.004 0.000 0.984 140 E CA 0.098 56.508 56.400 0.017 0.000 0.930 140 E CB 0.337 30.061 29.700 0.041 0.000 0.936 140 E HN 0.089 nan 8.360 nan 0.000 0.466 141 N N 5.461 124.166 118.700 0.009 0.000 2.816 141 N HA 0.123 4.820 4.740 -0.072 0.000 0.236 141 N C 0.372 175.896 175.510 0.023 0.000 1.076 141 N CA -0.120 52.935 53.050 0.008 0.000 0.902 141 N CB 0.501 38.994 38.487 0.009 0.000 1.149 141 N HN 0.630 nan 8.380 nan 0.000 0.506 142 M N 0.936 120.544 119.600 0.014 0.000 2.132 142 M HA -0.061 4.376 4.480 -0.072 0.000 0.263 142 M C 1.913 178.323 176.300 0.184 0.000 1.065 142 M CA 1.277 56.610 55.300 0.055 0.000 1.122 142 M CB -0.099 32.449 32.600 -0.087 0.000 1.365 142 M HN 0.577 nan 8.290 nan 0.000 0.411 143 A N 0.506 123.397 122.820 0.119 0.000 1.978 143 A HA -0.093 4.183 4.320 -0.072 0.000 0.220 143 A C 2.257 179.913 177.584 0.120 0.000 1.170 143 A CA 1.884 54.028 52.037 0.179 0.000 0.636 143 A CB -0.852 18.194 19.000 0.076 0.000 0.810 143 A HN 0.524 nan 8.150 nan 0.000 0.448 144 A N -0.861 122.000 122.820 0.069 0.000 2.172 144 A HA -0.005 4.272 4.320 -0.072 0.000 0.216 144 A C 1.716 179.312 177.584 0.020 0.000 1.154 144 A CA 1.459 53.515 52.037 0.032 0.000 0.701 144 A CB -0.218 18.794 19.000 0.021 0.000 0.789 144 A HN 0.556 nan 8.150 nan 0.000 0.465 145 K N -0.612 119.812 120.400 0.040 0.000 2.413 145 K HA 0.146 4.423 4.320 -0.072 0.000 0.204 145 K C 0.246 176.792 176.600 -0.090 0.000 1.041 145 K CA -0.265 56.022 56.287 0.000 0.000 1.082 145 K CB 0.565 33.083 32.500 0.030 0.000 0.871 145 K HN 0.293 nan 8.250 nan 0.000 0.535 146 K N 2.804 123.107 120.400 -0.163 0.000 2.472 146 K HA -0.050 4.227 4.320 -0.072 0.000 0.280 146 K C -0.604 175.800 176.600 -0.326 0.000 1.028 146 K CA 0.565 56.547 56.287 -0.508 0.000 1.045 146 K CB 0.394 32.642 32.500 -0.421 0.000 0.902 146 K HN -0.126 nan 8.250 nan 0.000 0.478 147 K N 2.951 123.136 120.400 -0.359 0.000 2.425 147 K HA 0.165 4.442 4.320 -0.072 0.000 0.259 147 K C -1.211 175.247 176.600 -0.236 0.000 0.978 147 K CA -0.523 55.631 56.287 -0.223 0.000 0.883 147 K CB 1.256 33.666 32.500 -0.150 0.000 1.110 147 K HN 0.500 nan 8.250 nan 0.000 0.436 148 S N 2.656 118.237 115.700 -0.200 0.000 2.488 148 S HA 0.065 4.492 4.470 -0.072 0.000 0.278 148 S C 0.843 175.314 174.600 -0.216 0.000 1.259 148 S CA -0.737 57.339 58.200 -0.206 0.000 1.061 148 S CB 1.322 64.422 63.200 -0.167 0.000 0.910 148 S HN 0.473 nan 8.310 nan 0.000 0.491 149 V N 2.125 121.866 119.914 -0.288 0.000 2.721 149 V HA 0.310 4.387 4.120 -0.072 0.000 0.236 149 V C 1.035 176.750 176.094 -0.632 0.000 1.116 149 V CA 0.756 62.861 62.300 -0.326 0.000 1.148 149 V CB -0.457 31.201 31.823 -0.275 0.000 0.886 149 V HN 0.828 nan 8.190 nan 0.000 0.490 150 A N 0.884 123.146 122.820 -0.930 0.000 2.303 150 A HA 0.744 5.021 4.320 -0.072 0.000 0.317 150 A C -0.464 176.546 177.584 -0.956 0.000 1.149 150 A CA -0.142 50.860 52.037 -1.725 0.000 0.822 150 A CB 0.733 18.759 19.000 -1.624 0.000 1.131 150 A HN 0.311 nan 8.150 nan 0.000 0.493 151 M N 3.087 122.113 119.600 -0.957 0.000 2.151 151 M HA 0.313 4.750 4.480 -0.072 0.000 0.290 151 M C -1.259 174.903 176.300 -0.231 0.000 0.965 151 M CA -0.168 54.919 55.300 -0.355 0.000 0.930 151 M CB 1.496 33.984 32.600 -0.187 0.000 1.560 151 M HN 0.874 nan 8.290 nan 0.000 0.438 152 H N 0.746 119.801 119.070 -0.025 0.000 2.676 152 H HA 0.413 4.926 4.556 -0.071 0.000 0.352 152 H C 0.757 176.089 175.328 0.007 0.000 1.193 152 H CA -0.013 56.053 56.048 0.031 0.000 1.243 152 H CB 1.936 31.698 29.762 -0.001 0.000 1.751 152 H HN 0.648 nan 8.280 nan 0.000 0.567 153 T N -2.250 112.393 114.554 0.148 0.000 3.081 153 T HA 0.083 4.390 4.350 -0.072 0.000 0.250 153 T C 0.679 175.407 174.700 0.046 0.000 1.100 153 T CA 0.145 62.290 62.100 0.075 0.000 1.038 153 T CB 0.373 69.277 68.868 0.061 0.000 0.962 153 T HN 0.361 nan 8.240 nan 0.000 0.516 154 N N 0.110 118.823 118.700 0.023 0.000 3.418 154 N HA 0.253 4.950 4.740 -0.072 0.000 0.316 154 N C -1.409 174.055 175.510 -0.077 0.000 1.601 154 N CA -0.802 52.232 53.050 -0.027 0.000 0.805 154 N CB 1.367 39.803 38.487 -0.087 0.000 1.873 154 N HN 0.297 nan 8.380 nan 0.000 0.615 155 Y N 0.665 120.949 120.300 -0.026 0.000 2.683 155 Y HA 0.325 4.833 4.550 -0.071 0.000 0.340 155 Y C 0.282 176.136 175.900 -0.076 0.000 1.245 155 Y CA -0.688 57.390 58.100 -0.037 0.000 1.485 155 Y CB 0.193 38.625 38.460 -0.047 0.000 1.328 155 Y HN 0.282 nan 8.280 nan 0.000 0.603 156 L N 4.055 125.340 121.223 0.103 0.000 2.319 156 L HA 0.236 4.533 4.340 -0.072 0.000 0.280 156 L C 0.929 177.900 176.870 0.168 0.000 1.099 156 L CA 0.744 55.593 54.840 0.014 0.000 0.828 156 L CB 1.043 43.119 42.059 0.029 0.000 1.150 156 L HN 0.970 nan 8.230 nan 0.000 0.442 157 S N 3.078 118.834 115.700 0.094 0.000 2.497 157 S HA 0.654 5.081 4.470 -0.072 0.000 0.218 157 S C 0.448 175.110 174.600 0.102 0.000 1.023 157 S CA 0.187 58.491 58.200 0.174 0.000 0.913 157 S CB 0.237 63.541 63.200 0.173 0.000 0.800 157 S HN 0.894 nan 8.310 nan 0.000 0.505 158 A N 0.343 123.194 122.820 0.052 0.000 2.594 158 A HA 0.691 4.968 4.320 -0.072 0.000 0.296 158 A C -0.725 176.876 177.584 0.029 0.000 1.061 158 A CA -0.480 51.590 52.037 0.055 0.000 0.689 158 A CB 0.834 19.872 19.000 0.065 0.000 1.280 158 A HN 1.245 nan 8.150 nan 0.000 0.406 159 C N -0.332 118.987 119.300 0.031 0.000 3.288 159 C HA 0.986 5.403 4.460 -0.072 0.000 0.318 159 C C -0.509 174.484 174.990 0.005 0.000 1.356 159 C CA -0.331 58.681 59.018 -0.010 0.000 1.359 159 C CB 1.061 28.766 27.740 -0.057 0.000 1.688 159 C HN 2.064 nan 8.230 nan 0.000 0.467 160 S N 0.070 115.744 115.700 -0.043 0.000 2.537 160 S HA 0.730 5.157 4.470 -0.072 0.000 0.271 160 S C -1.234 173.332 174.600 -0.056 0.000 1.148 160 S CA -0.345 57.870 58.200 0.025 0.000 0.868 160 S CB 0.835 64.081 63.200 0.076 0.000 1.115 160 S HN 0.695 nan 8.310 nan 0.000 0.461 161 F N 2.459 122.450 119.950 0.068 0.000 2.444 161 F HA 0.306 4.789 4.527 -0.072 0.000 0.331 161 F C 1.960 177.789 175.800 0.049 0.000 1.167 161 F CA 0.560 58.597 58.000 0.061 0.000 1.262 161 F CB 0.971 40.016 39.000 0.075 0.000 1.196 161 F HN 0.791 nan 8.300 nan 0.000 0.583 162 T N -1.609 113.080 114.554 0.225 0.000 4.510 162 T HA 0.072 4.379 4.350 -0.072 0.000 0.300 162 T C 0.864 175.654 174.700 0.149 0.000 1.079 162 T CA -0.271 61.911 62.100 0.137 0.000 1.123 162 T CB -0.028 68.895 68.868 0.093 0.000 2.102 162 T HN 0.431 nan 8.240 nan 0.000 0.438 163 N N 1.752 120.517 118.700 0.108 0.000 2.322 163 N HA 0.249 4.946 4.740 -0.072 0.000 0.216 163 N C -0.053 175.505 175.510 0.081 0.000 1.144 163 N CA 0.062 53.163 53.050 0.085 0.000 0.830 163 N CB -0.002 38.521 38.487 0.061 0.000 1.034 163 N HN 0.738 nan 8.380 nan 0.000 0.484 164 S N -1.644 114.123 115.700 0.111 0.000 2.643 164 S HA 0.311 4.738 4.470 -0.072 0.000 0.270 164 S C -0.368 174.307 174.600 0.125 0.000 1.166 164 S CA -0.700 57.553 58.200 0.088 0.000 0.815 164 S CB 1.294 64.546 63.200 0.086 0.000 1.139 164 S HN -0.226 nan 8.310 nan 0.000 0.472 165 D N 0.397 120.830 120.400 0.054 0.000 2.349 165 D HA 0.202 4.799 4.640 -0.072 0.000 0.224 165 D C 1.087 177.542 176.300 0.259 0.000 1.029 165 D CA 0.685 54.708 54.000 0.037 0.000 0.879 165 D CB -0.067 40.693 40.800 -0.068 0.000 0.906 165 D HN 0.382 nan 8.370 nan 0.000 0.528 166 M N -0.407 119.313 119.600 0.200 0.000 2.441 166 M HA 0.221 4.658 4.480 -0.072 0.000 0.244 166 M C 0.020 176.414 176.300 0.157 0.000 1.122 166 M CA 0.426 55.821 55.300 0.157 0.000 1.041 166 M CB 0.044 32.703 32.600 0.098 0.000 1.438 166 M HN -0.111 nan 8.290 nan 0.000 0.484 167 Q N -0.095 119.821 119.800 0.193 0.000 2.389 167 Q HA 0.687 4.984 4.340 -0.072 0.000 0.277 167 Q C -1.581 174.477 176.000 0.098 0.000 1.082 167 Q CA -0.519 55.365 55.803 0.135 0.000 0.810 167 Q CB 3.625 32.426 28.738 0.105 0.000 1.374 167 Q HN 0.083 nan 8.270 nan 0.000 0.422 168 I N 1.531 122.128 120.570 0.046 0.000 2.686 168 I HA 0.336 4.463 4.170 -0.072 0.000 0.295 168 I C -1.812 174.345 176.117 0.067 0.000 1.114 168 I CA -0.666 60.594 61.300 -0.066 0.000 1.038 168 I CB 2.089 39.957 38.000 -0.220 0.000 1.238 168 I HN 0.408 nan 8.210 nan 0.000 0.420 169 L N 6.045 127.248 121.223 -0.033 0.000 2.322 169 L HA 0.745 5.042 4.340 -0.072 0.000 0.281 169 L C -0.219 176.650 176.870 -0.001 0.000 1.014 169 L CA -0.052 54.738 54.840 -0.083 0.000 0.815 169 L CB 1.509 43.371 42.059 -0.329 0.000 1.247 169 L HN 0.756 nan 8.230 nan 0.000 0.421 170 T N 1.493 116.131 114.554 0.140 0.000 2.916 170 T HA 0.971 5.278 4.350 -0.072 0.000 0.292 170 T C -0.607 174.153 174.700 0.100 0.000 1.055 170 T CA -0.650 61.552 62.100 0.170 0.000 1.009 170 T CB 1.917 71.031 68.868 0.410 0.000 1.118 170 T HN 0.813 nan 8.240 nan 0.000 0.497 171 A N 0.953 123.763 122.820 -0.016 0.000 2.401 171 A HA 0.898 5.175 4.320 -0.072 0.000 0.310 171 A C -0.236 177.169 177.584 -0.297 0.000 1.075 171 A CA -0.827 51.151 52.037 -0.098 0.000 0.746 171 A CB 1.854 20.842 19.000 -0.020 0.000 1.277 171 A HN 1.111 nan 8.150 nan 0.000 0.425 172 S N -0.150 115.310 115.700 -0.400 0.000 2.564 172 S HA 0.565 4.992 4.470 -0.072 0.000 0.274 172 S C 1.042 175.324 174.600 -0.531 0.000 1.124 172 S CA 0.191 58.047 58.200 -0.573 0.000 0.869 172 S CB 1.434 64.082 63.200 -0.921 0.000 1.105 172 S HN 1.628 nan 8.310 nan 0.000 0.472 173 G N 1.466 109.686 108.800 -0.966 0.000 2.535 173 G HA2 -0.143 3.774 3.960 -0.072 0.000 0.218 173 G HA3 -0.143 3.774 3.960 -0.072 0.000 0.218 173 G C 0.829 175.472 174.900 -0.429 0.000 1.122 173 G CA 1.112 45.626 45.100 -0.977 0.000 0.769 173 G HN 0.882 nan 8.290 nan 0.000 0.549 174 D N -0.572 119.631 120.400 -0.329 0.000 2.378 174 D HA 0.177 4.774 4.640 -0.072 0.000 0.227 174 D C 1.721 177.984 176.300 -0.062 0.000 1.012 174 D CA 0.791 54.716 54.000 -0.125 0.000 0.905 174 D CB -0.540 40.241 40.800 -0.032 0.000 0.895 174 D HN 0.474 nan 8.370 nan 0.000 0.532 175 G N -0.569 108.175 108.800 -0.093 0.000 2.176 175 G HA2 -0.203 3.714 3.960 -0.072 0.000 0.232 175 G HA3 -0.203 3.714 3.960 -0.072 0.000 0.232 175 G C 0.352 175.262 174.900 0.017 0.000 0.986 175 G CA 0.438 45.535 45.100 -0.005 0.000 0.643 175 G HN 0.895 nan 8.290 nan 0.000 0.522 176 T N -2.458 112.064 114.554 -0.053 0.000 2.916 176 T HA 0.713 5.020 4.350 -0.072 0.000 0.292 176 T C 0.028 174.718 174.700 -0.016 0.000 1.055 176 T CA -0.211 61.836 62.100 -0.088 0.000 1.009 176 T CB 2.659 71.392 68.868 -0.225 0.000 1.118 176 T HN 0.655 nan 8.240 nan 0.000 0.497 177 C N 1.219 120.522 119.300 0.006 0.000 2.470 177 C HA 1.038 5.455 4.460 -0.072 0.000 0.341 177 C C 0.377 175.506 174.990 0.231 0.000 1.190 177 C CA -0.271 58.814 59.018 0.112 0.000 1.904 177 C CB 0.850 28.627 27.740 0.061 0.000 2.354 177 C HN 1.295 nan 8.230 nan 0.000 0.509 178 A N 1.137 124.102 122.820 0.241 0.000 2.574 178 A HA 0.751 5.028 4.320 -0.072 0.000 0.297 178 A C -1.701 175.798 177.584 -0.141 0.000 1.062 178 A CA -0.362 51.658 52.037 -0.028 0.000 0.686 178 A CB 1.019 19.822 19.000 -0.328 0.000 1.285 178 A HN 0.855 nan 8.150 nan 0.000 0.403 179 L N 0.918 121.953 121.223 -0.314 0.000 2.317 179 L HA 0.935 5.231 4.340 -0.072 0.000 0.281 179 L C -1.567 175.000 176.870 -0.505 0.000 1.024 179 L CA -0.164 54.538 54.840 -0.229 0.000 0.810 179 L CB 0.840 42.896 42.059 -0.005 0.000 1.240 179 L HN 0.694 nan 8.230 nan 0.000 0.427 180 W N 2.581 123.851 121.300 -0.049 0.000 2.950 180 W HA 0.417 5.034 4.660 -0.072 0.000 0.340 180 W C -0.924 175.569 176.519 -0.042 0.000 1.139 180 W CA -0.662 56.647 57.345 -0.060 0.000 1.188 180 W CB 1.262 30.670 29.460 -0.086 0.000 1.426 180 W HN 0.495 nan 8.180 nan 0.000 0.531 181 D N 0.716 121.241 120.400 0.208 0.000 2.280 181 D HA 0.260 4.857 4.640 -0.072 0.000 0.243 181 D C 0.632 177.004 176.300 0.120 0.000 1.129 181 D CA -0.143 53.933 54.000 0.128 0.000 0.848 181 D CB 1.737 42.587 40.800 0.082 0.000 1.107 181 D HN 0.165 nan 8.370 nan 0.000 0.471 182 V N 3.590 123.560 119.914 0.093 0.000 2.295 182 V HA -0.174 3.903 4.120 -0.072 0.000 0.246 182 V C 2.086 178.201 176.094 0.034 0.000 1.049 182 V CA 1.618 63.952 62.300 0.057 0.000 1.024 182 V CB -0.564 31.314 31.823 0.092 0.000 0.648 182 V HN 0.629 nan 8.190 nan 0.000 0.447 183 E N 0.527 120.753 120.200 0.043 0.000 2.110 183 E HA -0.154 4.153 4.350 -0.072 0.000 0.193 183 E C 2.316 178.927 176.600 0.017 0.000 0.988 183 E CA 1.571 57.986 56.400 0.026 0.000 0.804 183 E CB -0.135 29.583 29.700 0.029 0.000 0.745 183 E HN 0.754 nan 8.360 nan 0.000 0.458 184 S N -2.414 113.303 115.700 0.029 0.000 2.497 184 S HA 0.225 4.652 4.470 -0.072 0.000 0.218 184 S C 1.705 176.324 174.600 0.032 0.000 1.023 184 S CA 0.360 58.576 58.200 0.026 0.000 0.913 184 S CB 0.691 63.910 63.200 0.032 0.000 0.800 184 S HN 0.354 nan 8.310 nan 0.000 0.505 185 G N 2.066 110.896 108.800 0.051 0.000 2.148 185 G HA2 -0.316 3.601 3.960 -0.072 0.000 0.254 185 G HA3 -0.316 3.601 3.960 -0.072 0.000 0.254 185 G C -0.086 174.930 174.900 0.193 0.000 0.981 185 G CA 0.291 45.432 45.100 0.069 0.000 0.670 185 G HN 1.008 nan 8.290 nan 0.000 0.528 186 Q N 0.231 120.126 119.800 0.159 0.000 2.314 186 Q HA 0.557 4.854 4.340 -0.072 0.000 0.258 186 Q C 0.455 176.543 176.000 0.146 0.000 0.954 186 Q CA -0.833 55.050 55.803 0.135 0.000 0.890 186 Q CB 1.359 30.126 28.738 0.049 0.000 1.210 186 Q HN 0.349 nan 8.270 nan 0.000 0.410 187 L N 5.995 127.217 121.223 -0.002 0.000 2.433 187 L HA 0.026 4.322 4.340 -0.072 0.000 0.275 187 L C 0.218 176.891 176.870 -0.328 0.000 1.128 187 L CA 0.324 54.885 54.840 -0.465 0.000 0.875 187 L CB 0.279 41.993 42.059 -0.576 0.000 1.171 187 L HN 1.018 nan 8.230 nan 0.000 0.463 188 L N 3.797 124.807 121.223 -0.356 0.000 2.202 188 L HA 0.081 4.378 4.340 -0.072 0.000 0.205 188 L C 0.322 177.027 176.870 -0.275 0.000 1.083 188 L CA 0.433 55.140 54.840 -0.223 0.000 0.790 188 L CB -0.038 41.943 42.059 -0.131 0.000 0.942 188 L HN 0.638 nan 8.230 nan 0.000 0.452 189 Q N -0.858 118.692 119.800 -0.417 0.000 2.378 189 Q HA 0.306 4.603 4.340 -0.072 0.000 0.262 189 Q C -1.189 174.354 176.000 -0.762 0.000 0.978 189 Q CA -0.085 55.398 55.803 -0.533 0.000 0.918 189 Q CB 2.035 30.469 28.738 -0.507 0.000 1.415 189 Q HN -0.038 nan 8.270 nan 0.000 0.409 190 S N 2.930 118.208 115.700 -0.704 0.000 2.608 190 S HA 0.834 5.261 4.470 -0.072 0.000 0.291 190 S C -1.314 172.772 174.600 -0.857 0.000 1.146 190 S CA -0.316 57.513 58.200 -0.618 0.000 1.043 190 S CB 0.370 63.418 63.200 -0.254 0.000 1.037 190 S HN 0.429 nan 8.310 nan 0.000 0.520 191 F N 3.811 123.532 119.950 -0.382 0.000 2.513 191 F HA 0.397 4.881 4.527 -0.071 0.000 0.358 191 F C 0.512 175.963 175.800 -0.582 0.000 1.118 191 F CA -0.712 56.905 58.000 -0.639 0.000 1.037 191 F CB 1.078 39.314 39.000 -1.273 0.000 1.276 191 F HN 0.519 nan 8.300 nan 0.000 0.446 192 H N 1.332 120.381 119.070 -0.035 0.000 2.457 192 H HA 0.659 5.172 4.556 -0.072 0.000 0.335 192 H C 0.604 176.161 175.328 0.381 0.000 1.115 192 H CA -0.126 56.004 56.048 0.136 0.000 1.219 192 H CB 2.162 31.971 29.762 0.079 0.000 1.471 192 H HN 0.858 nan 8.280 nan 0.000 0.491 193 G N 1.964 111.050 108.800 0.476 0.000 3.847 193 G HA2 -0.145 3.771 3.960 -0.072 0.000 0.189 193 G HA3 -0.145 3.771 3.960 -0.072 0.000 0.189 193 G C -0.131 174.887 174.900 0.197 0.000 0.907 193 G CA -0.468 44.843 45.100 0.352 0.000 0.893 193 G HN 0.548 nan 8.290 nan 0.000 0.379 194 H N 1.087 120.340 119.070 0.305 0.000 2.897 194 H HA 0.286 4.799 4.556 -0.072 0.000 0.347 194 H C 1.672 177.077 175.328 0.128 0.000 1.068 194 H CA 1.188 57.347 56.048 0.185 0.000 1.426 194 H CB 1.575 31.447 29.762 0.184 0.000 1.410 194 H HN 0.262 nan 8.280 nan 0.000 0.597 195 G N 1.431 110.365 108.800 0.223 0.000 2.744 195 G HA2 0.283 4.200 3.960 -0.072 0.000 0.211 195 G HA3 0.283 4.200 3.960 -0.072 0.000 0.211 195 G C 0.457 175.431 174.900 0.123 0.000 1.143 195 G CA 0.729 45.915 45.100 0.142 0.000 0.788 195 G HN 0.764 nan 8.290 nan 0.000 0.534 196 A N -0.308 122.593 122.820 0.135 0.000 2.524 196 A HA 0.536 4.813 4.320 -0.072 0.000 0.303 196 A C -1.625 175.978 177.584 0.032 0.000 1.195 196 A CA -0.752 51.331 52.037 0.077 0.000 0.651 196 A CB 0.026 19.069 19.000 0.072 0.000 1.323 196 A HN 0.014 nan 8.150 nan 0.000 0.479 197 D N 0.764 121.164 120.400 -0.000 0.000 2.586 197 D HA 0.331 4.928 4.640 -0.072 0.000 0.234 197 D C -0.056 176.183 176.300 -0.101 0.000 1.132 197 D CA 0.705 54.670 54.000 -0.058 0.000 0.860 197 D CB 0.268 41.087 40.800 0.032 0.000 1.159 197 D HN 0.340 nan 8.370 nan 0.000 0.490 198 V N 3.747 123.560 119.914 -0.169 0.000 2.465 198 V HA 0.151 4.228 4.120 -0.072 0.000 0.279 198 V C 1.216 177.248 176.094 -0.104 0.000 1.045 198 V CA -0.416 61.749 62.300 -0.224 0.000 0.938 198 V CB 1.353 33.050 31.823 -0.211 0.000 0.986 198 V HN 0.520 nan 8.190 nan 0.000 0.467 199 L N 3.475 124.661 121.223 -0.062 0.000 2.672 199 L HA 0.310 4.606 4.340 -0.072 0.000 0.236 199 L C 0.572 177.470 176.870 0.047 0.000 1.092 199 L CA 0.282 55.139 54.840 0.029 0.000 0.887 199 L CB 0.737 42.818 42.059 0.037 0.000 1.168 199 L HN 0.859 nan 8.230 nan 0.000 0.502 200 C N -0.641 118.684 119.300 0.040 0.000 3.307 200 C HA 0.791 5.207 4.460 -0.072 0.000 0.333 200 C C -1.097 173.967 174.990 0.122 0.000 1.291 200 C CA -1.348 57.719 59.018 0.082 0.000 1.273 200 C CB 1.111 28.902 27.740 0.084 0.000 1.580 200 C HN 0.168 nan 8.230 nan 0.000 0.481 201 L N -1.077 120.238 121.223 0.153 0.000 2.671 201 L HA 1.021 5.318 4.340 -0.072 0.000 0.259 201 L C -1.459 175.550 176.870 0.231 0.000 1.021 201 L CA -0.237 54.740 54.840 0.228 0.000 0.871 201 L CB 1.602 43.814 42.059 0.254 0.000 1.472 201 L HN 0.906 nan 8.230 nan 0.000 0.410 202 D N 0.356 120.943 120.400 0.313 0.000 2.927 202 D HA 0.545 5.142 4.640 -0.072 0.000 0.219 202 D C -1.794 174.775 176.300 0.448 0.000 1.248 202 D CA -0.224 53.980 54.000 0.339 0.000 0.861 202 D CB 2.158 43.175 40.800 0.362 0.000 1.677 202 D HN 0.891 nan 8.370 nan 0.000 0.511 203 L N 2.520 123.924 121.223 0.303 0.000 2.349 203 L HA 0.742 5.039 4.340 -0.072 0.000 0.275 203 L C -0.167 176.702 176.870 -0.002 0.000 1.115 203 L CA -0.176 54.786 54.840 0.204 0.000 0.820 203 L CB 0.980 43.103 42.059 0.107 0.000 1.135 203 L HN 0.542 nan 8.230 nan 0.000 0.445 204 A N 6.611 129.247 122.820 -0.305 0.000 2.440 204 A HA 0.503 4.780 4.320 -0.072 0.000 0.251 204 A C -1.848 175.486 177.584 -0.415 0.000 1.089 204 A CA -0.906 50.529 52.037 -1.004 0.000 0.779 204 A CB -0.253 18.242 19.000 -0.842 0.000 1.022 204 A HN 0.718 nan 8.150 nan 0.000 0.492 205 P HA 0.058 nan 4.420 nan 0.000 0.253 205 P C 0.177 177.421 177.300 -0.093 0.000 1.459 205 P CA -0.006 63.015 63.100 -0.131 0.000 0.908 205 P CB -0.516 31.143 31.700 -0.068 0.000 1.470 206 S N -0.520 115.107 115.700 -0.121 0.000 2.584 206 S HA 0.109 4.536 4.470 -0.072 0.000 0.270 206 S C 1.280 175.869 174.600 -0.019 0.000 1.346 206 S CA -0.383 57.787 58.200 -0.049 0.000 1.018 206 S CB 0.980 64.156 63.200 -0.040 0.000 0.899 206 S HN 0.086 nan 8.310 nan 0.000 0.542 207 E N 0.407 120.608 120.200 0.002 0.000 2.153 207 E HA -0.141 4.166 4.350 -0.072 0.000 0.194 207 E C 2.180 178.789 176.600 0.014 0.000 0.988 207 E CA 1.465 57.871 56.400 0.009 0.000 0.811 207 E CB -0.359 29.350 29.700 0.015 0.000 0.746 207 E HN 0.888 nan 8.360 nan 0.000 0.466 208 T N -0.911 113.654 114.554 0.018 0.000 2.737 208 T HA -0.065 4.242 4.350 -0.072 0.000 0.265 208 T C 1.556 176.273 174.700 0.028 0.000 1.038 208 T CA 1.677 63.792 62.100 0.026 0.000 1.144 208 T CB -0.409 68.479 68.868 0.033 0.000 0.866 208 T HN 0.349 nan 8.240 nan 0.000 0.434 209 G N 1.507 110.317 108.800 0.017 0.000 2.221 209 G HA2 -0.217 3.700 3.960 -0.072 0.000 0.265 209 G HA3 -0.217 3.700 3.960 -0.072 0.000 0.265 209 G C 0.452 175.382 174.900 0.051 0.000 1.041 209 G CA 0.440 45.553 45.100 0.020 0.000 0.807 209 G HN 0.592 nan 8.290 nan 0.000 0.502 210 N N -0.108 118.631 118.700 0.065 0.000 2.203 210 N HA 0.151 4.848 4.740 -0.072 0.000 0.207 210 N C 0.882 176.481 175.510 0.150 0.000 1.130 210 N CA 1.046 54.159 53.050 0.104 0.000 0.861 210 N CB 0.900 39.443 38.487 0.094 0.000 1.005 210 N HN 0.833 nan 8.380 nan 0.000 0.507 211 T N -1.656 112.981 114.554 0.138 0.000 2.901 211 T HA 0.733 5.040 4.350 -0.072 0.000 0.293 211 T C -0.614 174.250 174.700 0.274 0.000 1.084 211 T CA -0.813 61.395 62.100 0.179 0.000 1.008 211 T CB 2.040 70.981 68.868 0.121 0.000 1.170 211 T HN 0.037 nan 8.240 nan 0.000 0.509 212 F N -0.595 119.428 119.950 0.121 0.000 2.685 212 F HA 0.865 5.349 4.527 -0.072 0.000 0.315 212 F C -1.789 174.152 175.800 0.236 0.000 1.126 212 F CA -1.561 56.552 58.000 0.189 0.000 0.950 212 F CB 1.145 40.182 39.000 0.062 0.000 1.360 212 F HN 0.649 nan 8.300 nan 0.000 0.469 213 V N 1.945 121.974 119.914 0.192 0.000 2.628 213 V HA 0.863 4.940 4.120 -0.072 0.000 0.306 213 V C -0.920 175.216 176.094 0.069 0.000 1.045 213 V CA 0.157 62.349 62.300 -0.181 0.000 0.905 213 V CB 1.940 33.333 31.823 -0.716 0.000 0.997 213 V HN 1.322 nan 8.190 nan 0.000 0.436 214 S N 3.971 119.729 115.700 0.098 0.000 2.599 214 S HA 0.965 5.392 4.470 -0.072 0.000 0.287 214 S C -0.380 174.372 174.600 0.253 0.000 1.105 214 S CA -0.230 58.147 58.200 0.294 0.000 0.899 214 S CB 1.911 65.441 63.200 0.549 0.000 1.100 214 S HN 1.479 nan 8.310 nan 0.000 0.482 215 G N -0.915 107.970 108.800 0.141 0.000 2.620 215 G HA2 0.800 4.717 3.960 -0.072 0.000 0.301 215 G HA3 0.800 4.717 3.960 -0.072 0.000 0.301 215 G C -0.381 174.452 174.900 -0.111 0.000 1.347 215 G CA -0.436 44.724 45.100 0.102 0.000 0.971 215 G HN 1.208 nan 8.290 nan 0.000 0.488 216 G N -1.448 107.296 108.800 -0.094 0.000 2.782 216 G HA2 0.390 4.307 3.960 -0.072 0.000 0.304 216 G HA3 0.390 4.307 3.960 -0.072 0.000 0.304 216 G C 0.126 175.023 174.900 -0.005 0.000 1.315 216 G CA 0.068 45.072 45.100 -0.161 0.000 0.791 216 G HN 0.851 nan 8.290 nan 0.000 0.519 217 C N 1.015 120.318 119.300 0.005 0.000 2.573 217 C HA 0.180 4.597 4.460 -0.072 0.000 0.273 217 C C 1.553 176.588 174.990 0.075 0.000 1.346 217 C CA 0.319 59.364 59.018 0.044 0.000 1.702 217 C CB -1.303 26.463 27.740 0.044 0.000 1.751 217 C HN 0.717 nan 8.230 nan 0.000 0.583 218 D N 0.221 120.693 120.400 0.119 0.000 2.328 218 D HA -0.027 4.570 4.640 -0.072 0.000 0.221 218 D C 0.776 177.152 176.300 0.127 0.000 1.072 218 D CA 0.082 54.161 54.000 0.132 0.000 0.850 218 D CB -0.450 40.455 40.800 0.176 0.000 0.922 218 D HN 0.425 nan 8.370 nan 0.000 0.516 219 K N -0.778 119.696 120.400 0.124 0.000 3.341 219 K HA -0.187 4.090 4.320 -0.072 0.000 0.305 219 K C -0.346 176.362 176.600 0.181 0.000 1.270 219 K CA 0.810 57.179 56.287 0.136 0.000 0.897 219 K CB -1.436 31.139 32.500 0.125 0.000 1.264 219 K HN 0.327 nan 8.250 nan 0.000 0.468 220 K N 0.251 120.770 120.400 0.198 0.000 2.267 220 K HA 0.709 4.986 4.320 -0.072 0.000 0.246 220 K C -0.591 176.159 176.600 0.250 0.000 0.954 220 K CA -0.491 55.907 56.287 0.184 0.000 0.824 220 K CB 2.119 34.671 32.500 0.085 0.000 1.167 220 K HN 0.147 nan 8.250 nan 0.000 0.431 221 A N 2.921 125.849 122.820 0.180 0.000 2.318 221 A HA 0.674 4.951 4.320 -0.072 0.000 0.324 221 A C -0.738 176.831 177.584 -0.025 0.000 1.170 221 A CA -0.724 51.402 52.037 0.148 0.000 0.810 221 A CB 0.529 19.655 19.000 0.210 0.000 1.198 221 A HN 0.678 nan 8.150 nan 0.000 0.484 222 M N 2.659 122.141 119.600 -0.197 0.000 2.326 222 M HA 0.374 4.811 4.480 -0.072 0.000 0.306 222 M C -1.133 174.725 176.300 -0.736 0.000 1.054 222 M CA -0.669 54.279 55.300 -0.587 0.000 0.922 222 M CB 2.196 34.204 32.600 -0.986 0.000 1.632 222 M HN 0.347 nan 8.290 nan 0.000 0.436 223 V N 2.436 121.942 119.914 -0.681 0.000 2.407 223 V HA 0.377 4.454 4.120 -0.072 0.000 0.278 223 V C -1.152 174.551 176.094 -0.653 0.000 1.037 223 V CA -0.279 61.700 62.300 -0.534 0.000 0.900 223 V CB 0.813 32.512 31.823 -0.206 0.000 0.983 223 V HN 0.770 nan 8.190 nan 0.000 0.459 224 W N 1.960 122.965 121.300 -0.491 0.000 2.627 224 W HA 0.485 5.101 4.660 -0.072 0.000 0.339 224 W C -0.107 176.318 176.519 -0.155 0.000 1.058 224 W CA -0.669 56.438 57.345 -0.395 0.000 1.223 224 W CB 0.962 29.916 29.460 -0.844 0.000 1.389 224 W HN 0.404 nan 8.180 nan 0.000 0.541 225 D N 2.704 123.271 120.400 0.279 0.000 2.347 225 D HA 0.164 4.761 4.640 -0.072 0.000 0.235 225 D C 0.733 177.296 176.300 0.439 0.000 1.149 225 D CA 0.018 54.180 54.000 0.269 0.000 0.850 225 D CB 1.147 42.059 40.800 0.186 0.000 1.061 225 D HN 0.413 nan 8.370 nan 0.000 0.487 226 M N 2.715 122.568 119.600 0.420 0.000 2.374 226 M HA -0.096 4.341 4.480 -0.072 0.000 0.264 226 M C 2.000 178.504 176.300 0.339 0.000 1.067 226 M CA 0.917 56.539 55.300 0.537 0.000 1.103 226 M CB 0.140 32.970 32.600 0.383 0.000 1.402 226 M HN 0.323 nan 8.290 nan 0.000 0.444 227 R N 0.014 120.646 120.500 0.221 0.000 2.115 227 R HA -0.094 4.203 4.340 -0.072 0.000 0.226 227 R C 2.021 178.378 176.300 0.095 0.000 1.100 227 R CA 1.794 57.970 56.100 0.127 0.000 0.980 227 R CB 0.095 30.453 30.300 0.097 0.000 0.875 227 R HN 0.393 nan 8.270 nan 0.000 0.445 228 S N -2.387 113.393 115.700 0.134 0.000 2.520 228 S HA 0.233 4.660 4.470 -0.072 0.000 0.219 228 S C 1.289 175.939 174.600 0.082 0.000 1.028 228 S CA 0.254 58.508 58.200 0.089 0.000 0.921 228 S CB 1.053 64.310 63.200 0.094 0.000 0.844 228 S HN 0.510 nan 8.310 nan 0.000 0.495 229 G N 1.941 110.840 108.800 0.165 0.000 2.179 229 G HA2 -0.312 3.605 3.960 -0.072 0.000 0.260 229 G HA3 -0.312 3.605 3.960 -0.072 0.000 0.260 229 G C -0.062 175.090 174.900 0.421 0.000 0.977 229 G CA 0.360 45.523 45.100 0.105 0.000 0.641 229 G HN 0.984 nan 8.290 nan 0.000 0.533 230 Q N -0.348 119.675 119.800 0.371 0.000 2.259 230 Q HA 0.555 4.852 4.340 -0.072 0.000 0.249 230 Q C 0.449 176.638 176.000 0.315 0.000 0.914 230 Q CA -0.401 55.588 55.803 0.310 0.000 0.904 230 Q CB 1.607 30.428 28.738 0.138 0.000 1.213 230 Q HN 0.611 nan 8.270 nan 0.000 0.428 231 C N 4.013 123.335 119.300 0.037 0.000 2.482 231 C HA 0.302 4.718 4.460 -0.072 0.000 0.378 231 C C 1.468 176.289 174.990 -0.281 0.000 1.284 231 C CA -0.061 58.663 59.018 -0.491 0.000 1.826 231 C CB -0.591 26.608 27.740 -0.902 0.000 2.473 231 C HN 0.812 nan 8.230 nan 0.000 0.562 232 V N 3.092 122.853 119.914 -0.255 0.000 3.307 232 V HA 0.289 4.366 4.120 -0.072 0.000 0.253 232 V C 0.549 176.517 176.094 -0.210 0.000 1.149 232 V CA 0.835 63.039 62.300 -0.161 0.000 1.112 232 V CB -0.812 30.969 31.823 -0.070 0.000 0.777 232 V HN 0.890 nan 8.190 nan 0.000 0.464 233 Q N 0.166 119.780 119.800 -0.309 0.000 2.268 233 Q HA 0.788 5.085 4.340 -0.072 0.000 0.266 233 Q C -1.180 174.486 176.000 -0.557 0.000 1.006 233 Q CA 0.017 55.589 55.803 -0.386 0.000 0.824 233 Q CB 2.463 31.076 28.738 -0.208 0.000 1.306 233 Q HN 0.589 nan 8.270 nan 0.000 0.424 234 A N 2.445 124.836 122.820 -0.716 0.000 2.401 234 A HA 0.912 5.189 4.320 -0.072 0.000 0.310 234 A C -1.558 175.519 177.584 -0.845 0.000 1.075 234 A CA -0.421 51.240 52.037 -0.626 0.000 0.746 234 A CB 0.919 19.656 19.000 -0.438 0.000 1.277 234 A HN 0.576 nan 8.150 nan 0.000 0.425 235 F N 0.533 120.365 119.950 -0.196 0.000 2.518 235 F HA 0.480 4.964 4.527 -0.071 0.000 0.323 235 F C 0.375 176.107 175.800 -0.114 0.000 1.129 235 F CA -0.246 57.632 58.000 -0.203 0.000 0.920 235 F CB 2.473 41.144 39.000 -0.549 0.000 1.160 235 F HN 0.694 nan 8.300 nan 0.000 0.440 236 E N -0.397 119.870 120.200 0.111 0.000 3.666 236 E HA 0.233 4.540 4.350 -0.072 0.000 0.230 236 E C -0.246 176.420 176.600 0.110 0.000 1.235 236 E CA -0.403 56.056 56.400 0.098 0.000 1.096 236 E CB 0.653 30.375 29.700 0.037 0.000 1.287 236 E HN 0.648 nan 8.360 nan 0.000 0.406 237 T N -3.376 111.261 114.554 0.139 0.000 2.959 237 T HA 0.091 4.398 4.350 -0.072 0.000 0.254 237 T C 0.663 175.371 174.700 0.013 0.000 1.003 237 T CA -0.170 61.967 62.100 0.062 0.000 0.950 237 T CB -0.205 68.688 68.868 0.041 0.000 1.090 237 T HN 0.303 nan 8.240 nan 0.000 0.503 238 H N 2.041 121.181 119.070 0.118 0.000 2.771 238 H HA 0.245 4.757 4.556 -0.072 0.000 0.364 238 H C 0.722 176.081 175.328 0.052 0.000 1.133 238 H CA 0.576 56.670 56.048 0.077 0.000 1.423 238 H CB 0.933 30.752 29.762 0.095 0.000 1.425 238 H HN 0.495 nan 8.280 nan 0.000 0.606 239 E N 0.509 120.822 120.200 0.188 0.000 2.474 239 E HA 0.099 4.406 4.350 -0.072 0.000 0.195 239 E C 0.283 176.935 176.600 0.087 0.000 1.039 239 E CA -0.030 56.432 56.400 0.103 0.000 0.881 239 E CB 0.784 30.522 29.700 0.064 0.000 0.970 239 E HN 0.262 nan 8.360 nan 0.000 0.486 240 S N -0.210 115.548 115.700 0.096 0.000 2.819 240 S HA 0.150 4.577 4.470 -0.072 0.000 0.299 240 S C -1.623 172.994 174.600 0.029 0.000 1.192 240 S CA -0.896 57.336 58.200 0.053 0.000 0.847 240 S CB 0.837 64.057 63.200 0.034 0.000 1.224 240 S HN -0.083 nan 8.310 nan 0.000 0.537 241 D N 1.626 122.032 120.400 0.011 0.000 2.571 241 D HA 0.129 4.726 4.640 -0.072 0.000 0.231 241 D C -0.353 175.902 176.300 -0.075 0.000 1.133 241 D CA 0.502 54.500 54.000 -0.005 0.000 0.862 241 D CB 0.322 41.127 40.800 0.007 0.000 1.179 241 D HN 0.234 nan 8.370 nan 0.000 0.474 242 V N 4.275 124.153 119.914 -0.059 0.000 2.353 242 V HA 0.048 4.125 4.120 -0.072 0.000 0.264 242 V C 1.267 177.332 176.094 -0.049 0.000 1.049 242 V CA -0.509 61.725 62.300 -0.109 0.000 0.896 242 V CB 0.815 32.641 31.823 0.005 0.000 1.025 242 V HN 0.396 nan 8.190 nan 0.000 0.475 243 N N 2.182 120.842 118.700 -0.068 0.000 2.395 243 N HA 0.033 4.729 4.740 -0.072 0.000 0.175 243 N C 0.652 176.165 175.510 0.005 0.000 1.029 243 N CA 0.443 53.478 53.050 -0.025 0.000 0.897 243 N CB 0.659 39.119 38.487 -0.045 0.000 0.991 243 N HN 0.595 nan 8.380 nan 0.000 0.441 244 S N -0.017 115.687 115.700 0.007 0.000 2.536 244 S HA 0.606 5.033 4.470 -0.072 0.000 0.271 244 S C -1.252 173.410 174.600 0.103 0.000 1.134 244 S CA -0.689 57.540 58.200 0.049 0.000 0.897 244 S CB 1.181 64.392 63.200 0.019 0.000 1.094 244 S HN -0.026 nan 8.310 nan 0.000 0.473 245 V N 1.866 121.866 119.914 0.143 0.000 2.925 245 V HA 0.993 5.069 4.120 -0.072 0.000 0.311 245 V C -0.956 175.275 176.094 0.227 0.000 1.104 245 V CA -0.961 61.466 62.300 0.211 0.000 0.954 245 V CB 1.876 33.785 31.823 0.142 0.000 1.022 245 V HN 0.959 nan 8.190 nan 0.000 0.427 246 R N 1.947 122.636 120.500 0.316 0.000 2.522 246 R HA 0.528 4.825 4.340 -0.072 0.000 0.273 246 R C -1.930 174.687 176.300 0.527 0.000 1.133 246 R CA -0.484 55.850 56.100 0.390 0.000 0.969 246 R CB 1.296 31.816 30.300 0.367 0.000 1.235 246 R HN 0.846 nan 8.270 nan 0.000 0.433 247 Y N 2.993 123.544 120.300 0.418 0.000 2.497 247 Y HA 0.071 4.578 4.550 -0.072 0.000 0.334 247 Y C 0.272 176.291 175.900 0.199 0.000 1.199 247 Y CA 0.658 58.970 58.100 0.354 0.000 1.425 247 Y CB 0.455 39.043 38.460 0.214 0.000 1.291 247 Y HN 0.533 nan 8.280 nan 0.000 0.562 248 Y N 6.876 127.134 120.300 -0.069 0.000 2.497 248 Y HA 0.079 4.585 4.550 -0.072 0.000 0.334 248 Y C -1.349 174.406 175.900 -0.242 0.000 1.199 248 Y CA -2.136 55.525 58.100 -0.732 0.000 1.425 248 Y CB 0.794 38.944 38.460 -0.515 0.000 1.291 248 Y HN 0.462 nan 8.280 nan 0.000 0.562 249 P HA -0.234 nan 4.420 nan 0.000 0.218 249 P C 1.229 178.421 177.300 -0.180 0.000 1.146 249 P CA 2.242 65.118 63.100 -0.373 0.000 0.813 249 P CB -0.083 31.356 31.700 -0.436 0.000 0.778 250 S N -1.673 113.967 115.700 -0.099 0.000 2.489 250 S HA 0.167 4.593 4.470 -0.072 0.000 0.228 250 S C 1.806 176.479 174.600 0.121 0.000 0.995 250 S CA 0.859 59.110 58.200 0.085 0.000 0.934 250 S CB -1.279 62.056 63.200 0.224 0.000 0.771 250 S HN 0.321 nan 8.310 nan 0.000 0.522 251 G N 1.157 110.065 108.800 0.180 0.000 2.176 251 G HA2 -0.218 3.699 3.960 -0.072 0.000 0.253 251 G HA3 -0.218 3.699 3.960 -0.072 0.000 0.253 251 G C 0.336 175.417 174.900 0.300 0.000 0.979 251 G CA 0.373 45.588 45.100 0.191 0.000 0.641 251 G HN 0.556 nan 8.290 nan 0.000 0.530 252 D N 0.696 121.258 120.400 0.269 0.000 2.349 252 D HA 0.540 5.137 4.640 -0.072 0.000 0.214 252 D C 1.105 177.497 176.300 0.153 0.000 1.063 252 D CA 1.165 55.280 54.000 0.192 0.000 0.847 252 D CB 0.676 41.543 40.800 0.112 0.000 0.933 252 D HN 0.970 nan 8.370 nan 0.000 0.513 253 A N 0.308 123.252 122.820 0.207 0.000 2.602 253 A HA 0.697 4.974 4.320 -0.072 0.000 0.290 253 A C -1.556 176.185 177.584 0.261 0.000 1.114 253 A CA -0.897 51.199 52.037 0.098 0.000 0.683 253 A CB 1.282 20.175 19.000 -0.178 0.000 1.281 253 A HN 0.060 nan 8.150 nan 0.000 0.416 254 F N -1.552 118.405 119.950 0.013 0.000 2.645 254 F HA 0.903 5.387 4.527 -0.072 0.000 0.310 254 F C -0.276 175.654 175.800 0.216 0.000 1.102 254 F CA -0.673 57.355 58.000 0.045 0.000 0.952 254 F CB 1.278 40.063 39.000 -0.359 0.000 1.326 254 F HN 1.021 nan 8.300 nan 0.000 0.456 255 A N 1.392 124.448 122.820 0.393 0.000 2.337 255 A HA 0.879 5.156 4.320 -0.072 0.000 0.331 255 A C -0.716 177.044 177.584 0.293 0.000 1.137 255 A CA -0.175 51.980 52.037 0.197 0.000 0.807 255 A CB 1.122 20.183 19.000 0.102 0.000 1.250 255 A HN 1.394 nan 8.150 nan 0.000 0.468 256 S N -0.104 115.744 115.700 0.247 0.000 2.599 256 S HA 0.862 5.289 4.470 -0.072 0.000 0.287 256 S C -0.182 174.520 174.600 0.170 0.000 1.105 256 S CA -0.168 58.218 58.200 0.310 0.000 0.899 256 S CB 1.700 65.222 63.200 0.537 0.000 1.100 256 S HN 1.711 nan 8.310 nan 0.000 0.482 257 G N -0.090 108.731 108.800 0.035 0.000 2.495 257 G HA2 0.639 4.556 3.960 -0.072 0.000 0.318 257 G HA3 0.639 4.556 3.960 -0.072 0.000 0.318 257 G C -1.043 173.730 174.900 -0.210 0.000 1.257 257 G CA -0.674 44.377 45.100 -0.082 0.000 0.962 257 G HN 0.934 nan 8.290 nan 0.000 0.483 258 S N 0.139 115.686 115.700 -0.254 0.000 2.595 258 S HA 0.323 4.750 4.470 -0.072 0.000 0.281 258 S C 0.650 175.177 174.600 -0.122 0.000 1.117 258 S CA -0.346 57.663 58.200 -0.318 0.000 0.873 258 S CB 2.038 64.820 63.200 -0.696 0.000 1.108 258 S HN 0.601 nan 8.310 nan 0.000 0.477 259 D N 1.322 121.674 120.400 -0.079 0.000 2.271 259 D HA -0.168 4.428 4.640 -0.072 0.000 0.207 259 D C 1.065 177.377 176.300 0.019 0.000 0.983 259 D CA 1.922 55.917 54.000 -0.009 0.000 0.878 259 D CB -0.021 40.781 40.800 0.004 0.000 0.920 259 D HN 0.668 nan 8.370 nan 0.000 0.479 260 D N -0.622 119.789 120.400 0.018 0.000 2.352 260 D HA 0.064 4.661 4.640 -0.072 0.000 0.232 260 D C 1.135 177.474 176.300 0.065 0.000 1.055 260 D CA 0.811 54.842 54.000 0.051 0.000 0.891 260 D CB -0.435 40.420 40.800 0.092 0.000 0.897 260 D HN 0.206 nan 8.370 nan 0.000 0.529 261 A N -1.052 121.822 122.820 0.090 0.000 3.172 261 A HA -0.165 4.112 4.320 -0.072 0.000 0.263 261 A C 0.872 178.575 177.584 0.197 0.000 1.215 261 A CA 1.411 53.554 52.037 0.176 0.000 1.065 261 A CB -2.801 16.271 19.000 0.120 0.000 1.148 261 A HN 0.804 nan 8.150 nan 0.000 0.904 262 T N -2.555 112.075 114.554 0.127 0.000 2.945 262 T HA 0.663 4.970 4.350 -0.072 0.000 0.286 262 T C -0.003 174.748 174.700 0.085 0.000 1.025 262 T CA -0.266 61.878 62.100 0.073 0.000 1.039 262 T CB 2.001 70.880 68.868 0.018 0.000 1.068 262 T HN 0.923 nan 8.240 nan 0.000 0.497 263 C N 1.641 120.914 119.300 -0.044 0.000 2.454 263 C HA 0.846 5.263 4.460 -0.072 0.000 0.336 263 C C 0.370 175.335 174.990 -0.041 0.000 1.189 263 C CA -0.891 58.122 59.018 -0.008 0.000 1.877 263 C CB 0.809 28.467 27.740 -0.135 0.000 2.348 263 C HN 0.963 nan 8.230 nan 0.000 0.508 264 R N 0.858 121.326 120.500 -0.053 0.000 2.771 264 R HA 0.735 5.032 4.340 -0.072 0.000 0.274 264 R C -1.705 174.331 176.300 -0.440 0.000 0.987 264 R CA -0.764 55.093 56.100 -0.405 0.000 0.908 264 R CB 1.793 31.683 30.300 -0.683 0.000 1.213 264 R HN 0.518 nan 8.270 nan 0.000 0.468 265 L N 2.181 123.028 121.223 -0.628 0.000 2.341 265 L HA 0.500 4.797 4.340 -0.072 0.000 0.278 265 L C -1.664 174.660 176.870 -0.909 0.000 1.005 265 L CA -0.380 54.157 54.840 -0.504 0.000 0.818 265 L CB 1.150 43.119 42.059 -0.150 0.000 1.259 265 L HN 0.492 nan 8.230 nan 0.000 0.418 266 Y N 2.594 122.448 120.300 -0.744 0.000 2.364 266 Y HA 0.394 4.901 4.550 -0.072 0.000 0.340 266 Y C -0.327 175.226 175.900 -0.579 0.000 0.975 266 Y CA -0.852 56.724 58.100 -0.874 0.000 1.089 266 Y CB 1.546 39.016 38.460 -1.650 0.000 1.192 266 Y HN 0.502 nan 8.280 nan 0.000 0.454 267 D N 3.599 123.859 120.400 -0.233 0.000 2.347 267 D HA 0.184 4.781 4.640 -0.072 0.000 0.235 267 D C 0.363 176.684 176.300 0.035 0.000 1.149 267 D CA 0.087 54.021 54.000 -0.109 0.000 0.850 267 D CB 1.120 41.850 40.800 -0.118 0.000 1.061 267 D HN 0.671 nan 8.370 nan 0.000 0.487 268 L N 3.452 124.738 121.223 0.105 0.000 2.240 268 L HA 0.048 4.345 4.340 -0.072 0.000 0.211 268 L C 2.382 179.361 176.870 0.181 0.000 1.106 268 L CA 0.429 55.407 54.840 0.230 0.000 0.793 268 L CB 0.027 42.252 42.059 0.277 0.000 0.927 268 L HN 0.286 nan 8.230 nan 0.000 0.446 269 R N -0.034 120.536 120.500 0.117 0.000 2.093 269 R HA 0.043 4.340 4.340 -0.072 0.000 0.224 269 R C 2.169 178.526 176.300 0.096 0.000 1.101 269 R CA 1.101 57.258 56.100 0.094 0.000 0.979 269 R CB -0.183 30.156 30.300 0.064 0.000 0.877 269 R HN 0.257 nan 8.270 nan 0.000 0.441 270 A N 0.687 123.567 122.820 0.100 0.000 2.195 270 A HA 0.001 4.278 4.320 -0.072 0.000 0.210 270 A C 0.013 177.728 177.584 0.219 0.000 1.165 270 A CA 0.249 52.373 52.037 0.145 0.000 0.806 270 A CB 0.258 19.323 19.000 0.109 0.000 0.847 270 A HN 0.320 nan 8.150 nan 0.000 0.482 271 D N -1.092 119.432 120.400 0.207 0.000 2.872 271 D HA -0.144 4.453 4.640 -0.072 0.000 0.248 271 D C -0.097 176.401 176.300 0.330 0.000 1.104 271 D CA 1.023 55.204 54.000 0.302 0.000 0.784 271 D CB -1.118 39.797 40.800 0.192 0.000 1.036 271 D HN 0.590 nan 8.370 nan 0.000 0.426 272 R N 0.630 121.289 120.500 0.265 0.000 2.634 272 R HA 0.234 4.531 4.340 -0.072 0.000 0.263 272 R C -1.051 175.239 176.300 -0.018 0.000 1.060 272 R CA -0.748 55.396 56.100 0.074 0.000 0.898 272 R CB 1.291 31.391 30.300 -0.334 0.000 1.253 272 R HN 0.260 nan 8.270 nan 0.000 0.461 273 E N 2.192 122.377 120.200 -0.026 0.000 2.376 273 E HA 0.088 4.395 4.350 -0.072 0.000 0.266 273 E C 0.375 176.753 176.600 -0.369 0.000 1.009 273 E CA 0.063 56.256 56.400 -0.344 0.000 0.902 273 E CB 0.946 30.453 29.700 -0.321 0.000 0.972 273 E HN 0.456 nan 8.360 nan 0.000 0.439 274 V N 0.903 120.546 119.914 -0.451 0.000 3.502 274 V HA 0.599 4.676 4.120 -0.072 0.000 0.288 274 V C 0.117 175.989 176.094 -0.371 0.000 1.461 274 V CA 0.330 62.419 62.300 -0.351 0.000 1.029 274 V CB 0.304 31.953 31.823 -0.289 0.000 0.843 274 V HN 0.544 nan 8.190 nan 0.000 0.438 275 A N 0.375 122.884 122.820 -0.517 0.000 2.566 275 A HA 0.858 5.135 4.320 -0.072 0.000 0.297 275 A C -1.350 175.722 177.584 -0.852 0.000 1.059 275 A CA -0.466 51.175 52.037 -0.660 0.000 0.691 275 A CB 1.615 20.170 19.000 -0.741 0.000 1.282 275 A HN 0.310 nan 8.150 nan 0.000 0.401 276 I N 1.863 121.935 120.570 -0.831 0.000 2.439 276 I HA 0.341 4.468 4.170 -0.072 0.000 0.285 276 I C -1.514 174.102 176.117 -0.835 0.000 1.021 276 I CA -0.433 60.431 61.300 -0.727 0.000 1.091 276 I CB 1.609 39.344 38.000 -0.441 0.000 1.242 276 I HN 0.622 nan 8.210 nan 0.000 0.439 277 Y N 4.990 124.929 120.300 -0.602 0.000 2.385 277 Y HA 0.562 5.069 4.550 -0.072 0.000 0.341 277 Y C 0.540 175.799 175.900 -1.068 0.000 0.965 277 Y CA -0.532 56.921 58.100 -1.078 0.000 1.180 277 Y CB 1.242 38.673 38.460 -1.715 0.000 1.139 277 Y HN 0.570 nan 8.280 nan 0.000 0.502 278 S N 2.556 117.937 115.700 -0.531 0.000 2.565 278 S HA 0.788 5.215 4.470 -0.072 0.000 0.269 278 S C -1.481 173.205 174.600 0.143 0.000 1.153 278 S CA -1.237 56.898 58.200 -0.108 0.000 0.835 278 S CB 2.441 65.581 63.200 -0.101 0.000 1.122 278 S HN 0.518 nan 8.310 nan 0.000 0.462 279 K N 0.364 120.871 120.400 0.179 0.000 2.527 279 K HA 0.381 4.658 4.320 -0.072 0.000 0.260 279 K C 0.181 176.810 176.600 0.047 0.000 0.937 279 K CA -0.726 55.633 56.287 0.121 0.000 0.826 279 K CB 2.212 34.793 32.500 0.136 0.000 1.359 279 K HN 0.771 nan 8.250 nan 0.000 0.434 280 E N 0.242 120.452 120.200 0.017 0.000 2.209 280 E HA -0.163 4.144 4.350 -0.072 0.000 0.196 280 E C 1.227 177.820 176.600 -0.011 0.000 0.993 280 E CA 1.682 58.079 56.400 -0.005 0.000 0.819 280 E CB 0.106 29.799 29.700 -0.012 0.000 0.745 280 E HN 0.558 nan 8.360 nan 0.000 0.477 281 S N 0.165 115.863 115.700 -0.003 0.000 2.562 281 S HA 0.045 4.472 4.470 -0.072 0.000 0.221 281 S C 0.895 175.491 174.600 -0.008 0.000 0.975 281 S CA 0.085 58.282 58.200 -0.005 0.000 0.918 281 S CB -0.055 63.142 63.200 -0.006 0.000 0.772 281 S HN 0.064 nan 8.310 nan 0.000 0.531 282 I N 2.539 123.102 120.570 -0.011 0.000 2.371 282 I HA 0.377 4.504 4.170 -0.072 0.000 0.282 282 I C 0.522 176.634 176.117 -0.010 0.000 1.031 282 I CA -0.513 60.775 61.300 -0.020 0.000 1.180 282 I CB 1.257 39.241 38.000 -0.026 0.000 1.336 282 I HN 0.291 nan 8.210 nan 0.000 0.467 283 I N 0.873 121.398 120.570 -0.075 0.000 4.327 283 I HA 0.373 4.500 4.170 -0.072 0.000 0.331 283 I C -0.280 175.611 176.117 -0.376 0.000 1.348 283 I CA -0.038 61.111 61.300 -0.251 0.000 1.152 283 I CB 0.319 38.077 38.000 -0.403 0.000 1.151 283 I HN 0.070 nan 8.210 nan 0.000 0.410 284 F N 2.319 122.312 119.950 0.072 0.000 2.403 284 F HA 0.726 5.209 4.527 -0.073 0.000 0.326 284 F C 1.399 177.312 175.800 0.188 0.000 1.081 284 F CA -0.736 57.323 58.000 0.098 0.000 1.041 284 F CB 0.804 39.843 39.000 0.065 0.000 1.234 284 F HN -0.101 nan 8.300 nan 0.000 0.503 285 G N 0.261 109.240 108.800 0.298 0.000 2.491 285 G HA2 0.413 4.330 3.960 -0.072 0.000 0.242 285 G HA3 0.413 4.330 3.960 -0.072 0.000 0.242 285 G C -0.821 174.115 174.900 0.060 0.000 1.266 285 G CA -0.431 44.759 45.100 0.150 0.000 0.844 285 G HN 0.863 nan 8.290 nan 0.000 0.571 286 A N 1.262 123.988 122.820 -0.157 0.000 2.276 286 A HA 0.531 4.808 4.320 -0.072 0.000 0.300 286 A C 1.329 178.742 177.584 -0.285 0.000 1.235 286 A CA 0.190 51.896 52.037 -0.551 0.000 0.867 286 A CB 0.845 19.493 19.000 -0.586 0.000 1.137 286 A HN 1.329 nan 8.150 nan 0.000 0.527 287 S N 1.200 116.747 115.700 -0.256 0.000 2.503 287 S HA 0.239 4.666 4.470 -0.072 0.000 0.217 287 S C 0.478 175.023 174.600 -0.091 0.000 0.999 287 S CA 0.607 58.727 58.200 -0.134 0.000 0.914 287 S CB -0.293 62.836 63.200 -0.120 0.000 0.782 287 S HN 1.663 nan 8.310 nan 0.000 0.520 288 S N 0.361 115.988 115.700 -0.122 0.000 2.548 288 S HA 0.642 5.069 4.470 -0.072 0.000 0.278 288 S C -1.015 173.542 174.600 -0.071 0.000 1.150 288 S CA -0.400 57.770 58.200 -0.050 0.000 0.907 288 S CB 1.284 64.481 63.200 -0.006 0.000 1.108 288 S HN 1.161 nan 8.310 nan 0.000 0.459 289 V N -1.015 118.881 119.914 -0.030 0.000 2.925 289 V HA 0.987 5.064 4.120 -0.072 0.000 0.311 289 V C -1.553 174.526 176.094 -0.026 0.000 1.104 289 V CA -0.440 61.821 62.300 -0.065 0.000 0.954 289 V CB 1.935 33.687 31.823 -0.119 0.000 1.022 289 V HN 1.035 nan 8.190 nan 0.000 0.427 290 D N 1.318 121.679 120.400 -0.064 0.000 2.654 290 D HA 0.554 5.151 4.640 -0.072 0.000 0.231 290 D C -1.639 174.645 176.300 -0.026 0.000 1.239 290 D CA -0.305 53.708 54.000 0.022 0.000 0.790 290 D CB 2.225 43.103 40.800 0.130 0.000 1.480 290 D HN 0.475 nan 8.370 nan 0.000 0.442 291 F N 0.991 121.044 119.950 0.171 0.000 2.397 291 F HA 0.346 4.831 4.527 -0.070 0.000 0.331 291 F C 1.433 177.345 175.800 0.185 0.000 1.090 291 F CA -0.468 57.629 58.000 0.161 0.000 1.065 291 F CB 1.467 40.519 39.000 0.088 0.000 1.184 291 F HN 0.166 nan 8.300 nan 0.000 0.499 292 S N 2.818 118.782 115.700 0.441 0.000 2.589 292 S HA 0.055 4.482 4.470 -0.072 0.000 0.265 292 S C 1.242 175.955 174.600 0.188 0.000 1.342 292 S CA -0.680 57.721 58.200 0.333 0.000 1.005 292 S CB 0.524 63.937 63.200 0.355 0.000 0.909 292 S HN 0.850 nan 8.310 nan 0.000 0.555 293 L N 1.464 122.748 121.223 0.102 0.000 2.043 293 L HA -0.162 4.134 4.340 -0.072 0.000 0.212 293 L C 2.550 179.406 176.870 -0.024 0.000 1.075 293 L CA 2.216 57.071 54.840 0.026 0.000 0.752 293 L CB -0.656 41.406 42.059 0.005 0.000 0.891 293 L HN 0.996 nan 8.230 nan 0.000 0.432 294 S N -1.321 114.381 115.700 0.004 0.000 2.562 294 S HA 0.144 4.571 4.470 -0.072 0.000 0.221 294 S C 1.524 176.065 174.600 -0.099 0.000 0.975 294 S CA 0.354 58.535 58.200 -0.032 0.000 0.918 294 S CB 0.138 63.355 63.200 0.028 0.000 0.772 294 S HN 0.756 nan 8.310 nan 0.000 0.531 295 G N 1.692 110.448 108.800 -0.074 0.000 2.184 295 G HA2 -0.371 3.546 3.960 -0.072 0.000 0.264 295 G HA3 -0.371 3.546 3.960 -0.072 0.000 0.264 295 G C 0.877 175.964 174.900 0.311 0.000 0.975 295 G CA 0.508 45.572 45.100 -0.060 0.000 0.642 295 G HN 0.589 nan 8.290 nan 0.000 0.536 296 R N -0.080 120.548 120.500 0.214 0.000 2.115 296 R HA 0.323 4.620 4.340 -0.072 0.000 0.226 296 R C 1.048 177.437 176.300 0.149 0.000 1.100 296 R CA 1.138 57.352 56.100 0.189 0.000 0.980 296 R CB -0.157 30.220 30.300 0.128 0.000 0.875 296 R HN 0.470 nan 8.270 nan 0.000 0.445 297 L N 0.744 122.048 121.223 0.134 0.000 2.346 297 L HA 0.467 4.764 4.340 -0.072 0.000 0.274 297 L C -1.227 175.577 176.870 -0.109 0.000 1.007 297 L CA -1.359 53.441 54.840 -0.068 0.000 0.818 297 L CB 1.998 43.949 42.059 -0.181 0.000 1.284 297 L HN -0.029 nan 8.230 nan 0.000 0.424 298 L N 2.663 123.680 121.223 -0.342 0.000 2.349 298 L HA 0.562 4.859 4.340 -0.072 0.000 0.278 298 L C -1.173 175.439 176.870 -0.429 0.000 0.996 298 L CA 0.125 54.712 54.840 -0.421 0.000 0.825 298 L CB 1.109 42.827 42.059 -0.568 0.000 1.243 298 L HN 0.201 nan 8.230 nan 0.000 0.412 299 F N 4.294 124.081 119.950 -0.273 0.000 2.408 299 F HA 0.772 5.254 4.527 -0.074 0.000 0.344 299 F C 0.561 176.219 175.800 -0.236 0.000 1.112 299 F CA -0.250 57.545 58.000 -0.341 0.000 1.096 299 F CB 1.679 40.299 39.000 -0.632 0.000 1.129 299 F HN 0.598 nan 8.300 nan 0.000 0.486 300 A N 1.884 124.711 122.820 0.012 0.000 2.422 300 A HA 0.788 5.064 4.320 -0.072 0.000 0.302 300 A C -0.411 177.177 177.584 0.007 0.000 1.041 300 A CA -0.588 51.441 52.037 -0.014 0.000 0.708 300 A CB 1.119 20.131 19.000 0.019 0.000 1.257 300 A HN 0.901 nan 8.150 nan 0.000 0.414 301 G N 0.173 108.906 108.800 -0.112 0.000 2.389 301 G HA2 0.598 4.515 3.960 -0.072 0.000 0.328 301 G HA3 0.598 4.515 3.960 -0.072 0.000 0.328 301 G C -1.244 173.547 174.900 -0.183 0.000 1.133 301 G CA -0.246 44.847 45.100 -0.011 0.000 0.891 301 G HN 0.505 nan 8.290 nan 0.000 0.485 302 Y N -0.174 120.128 120.300 0.003 0.000 2.570 302 Y HA 0.310 4.820 4.550 -0.067 0.000 0.345 302 Y C 1.090 176.982 175.900 -0.013 0.000 1.014 302 Y CA -1.178 56.931 58.100 0.015 0.000 1.063 302 Y CB 2.095 40.583 38.460 0.047 0.000 1.272 302 Y HN 0.418 nan 8.280 nan 0.000 0.477 303 N N 0.804 119.588 118.700 0.139 0.000 2.573 303 N HA -0.102 4.595 4.740 -0.072 0.000 0.187 303 N C 0.419 175.902 175.510 -0.045 0.000 1.107 303 N CA 0.952 54.004 53.050 0.003 0.000 0.918 303 N CB -0.148 38.350 38.487 0.018 0.000 0.966 303 N HN 0.676 nan 8.380 nan 0.000 0.448 304 D N -0.879 119.471 120.400 -0.083 0.000 2.358 304 D HA -0.072 4.525 4.640 -0.072 0.000 0.224 304 D C -0.101 176.079 176.300 -0.200 0.000 1.123 304 D CA -0.638 53.087 54.000 -0.459 0.000 0.833 304 D CB -0.741 39.760 40.800 -0.498 0.000 0.946 304 D HN 0.418 nan 8.370 nan 0.000 0.505 305 Y N -1.413 118.868 120.300 -0.030 0.000 4.943 305 Y HA -0.308 4.198 4.550 -0.073 0.000 0.258 305 Y C 0.616 176.584 175.900 0.114 0.000 0.930 305 Y CA 0.273 58.406 58.100 0.054 0.000 1.902 305 Y CB -2.473 36.040 38.460 0.089 0.000 1.386 305 Y HN 0.324 nan 8.280 nan 0.000 0.558 306 T N -0.832 113.828 114.554 0.177 0.000 2.948 306 T HA 0.823 5.130 4.350 -0.072 0.000 0.285 306 T C -0.394 174.343 174.700 0.062 0.000 1.019 306 T CA -0.785 61.313 62.100 -0.003 0.000 1.013 306 T CB 2.753 71.445 68.868 -0.294 0.000 1.117 306 T HN 0.204 nan 8.240 nan 0.000 0.533 307 I N 2.027 122.545 120.570 -0.086 0.000 2.433 307 I HA 0.392 4.519 4.170 -0.072 0.000 0.292 307 I C -0.198 175.781 176.117 -0.232 0.000 1.001 307 I CA -0.906 60.365 61.300 -0.049 0.000 1.119 307 I CB 1.687 39.612 38.000 -0.124 0.000 1.289 307 I HN 0.598 nan 8.210 nan 0.000 0.438 308 N N 5.192 123.814 118.700 -0.131 0.000 2.362 308 N HA 0.526 5.223 4.740 -0.072 0.000 0.298 308 N C -1.155 174.005 175.510 -0.583 0.000 1.048 308 N CA -0.434 52.336 53.050 -0.466 0.000 0.858 308 N CB 2.871 41.042 38.487 -0.527 0.000 1.218 308 N HN 0.146 nan 8.380 nan 0.000 0.488 309 V N 2.050 121.428 119.914 -0.893 0.000 2.417 309 V HA 0.465 4.542 4.120 -0.072 0.000 0.291 309 V C -0.837 174.667 176.094 -0.982 0.000 1.024 309 V CA -0.735 61.020 62.300 -0.907 0.000 0.861 309 V CB 1.017 32.287 31.823 -0.922 0.000 0.985 309 V HN 0.568 nan 8.190 nan 0.000 0.436 310 W N 1.496 122.489 121.300 -0.511 0.000 2.666 310 W HA 0.469 5.089 4.660 -0.067 0.000 0.334 310 W C 0.009 176.305 176.519 -0.370 0.000 1.051 310 W CA -0.605 56.489 57.345 -0.418 0.000 1.224 310 W CB 1.052 30.161 29.460 -0.585 0.000 1.405 310 W HN 0.438 nan 8.180 nan 0.000 0.513 311 D N 2.023 122.444 120.400 0.035 0.000 2.374 311 D HA 0.049 4.646 4.640 -0.072 0.000 0.240 311 D C 1.017 177.382 176.300 0.109 0.000 1.229 311 D CA 0.214 54.242 54.000 0.046 0.000 0.895 311 D CB 1.536 42.378 40.800 0.070 0.000 1.046 311 D HN 0.212 nan 8.370 nan 0.000 0.498 312 V N 4.813 124.760 119.914 0.056 0.000 2.324 312 V HA -0.259 3.818 4.120 -0.072 0.000 0.250 312 V C 2.365 178.623 176.094 0.273 0.000 1.060 312 V CA 1.478 63.862 62.300 0.140 0.000 1.042 312 V CB -0.306 31.667 31.823 0.251 0.000 0.650 312 V HN 0.626 nan 8.190 nan 0.000 0.450 313 L N -1.131 120.200 121.223 0.180 0.000 2.127 313 L HA -0.013 4.284 4.340 -0.072 0.000 0.203 313 L C 2.436 179.379 176.870 0.121 0.000 1.080 313 L CA 1.214 56.129 54.840 0.126 0.000 0.768 313 L CB -0.465 41.652 42.059 0.097 0.000 0.924 313 L HN 0.220 nan 8.230 nan 0.000 0.444 314 K N -0.240 120.240 120.400 0.132 0.000 2.323 314 K HA 0.137 4.414 4.320 -0.072 0.000 0.197 314 K C 1.346 178.026 176.600 0.134 0.000 1.043 314 K CA 0.769 57.124 56.287 0.115 0.000 0.997 314 K CB 0.475 33.028 32.500 0.088 0.000 0.807 314 K HN 0.381 nan 8.250 nan 0.000 0.497 315 G N 1.889 110.825 108.800 0.227 0.000 2.176 315 G HA2 -0.278 3.639 3.960 -0.072 0.000 0.253 315 G HA3 -0.278 3.639 3.960 -0.072 0.000 0.253 315 G C 0.217 175.318 174.900 0.335 0.000 0.979 315 G CA 0.493 45.758 45.100 0.274 0.000 0.641 315 G HN 0.404 nan 8.290 nan 0.000 0.530 316 S N -0.311 115.545 115.700 0.260 0.000 2.646 316 S HA 0.700 5.126 4.470 -0.072 0.000 0.276 316 S C 0.277 175.015 174.600 0.229 0.000 1.222 316 S CA -0.453 57.882 58.200 0.225 0.000 1.014 316 S CB 2.214 65.464 63.200 0.083 0.000 0.991 316 S HN 0.652 nan 8.310 nan 0.000 0.533 317 R N 0.649 121.167 120.500 0.029 0.000 2.491 317 R HA 0.314 4.611 4.340 -0.072 0.000 0.283 317 R C 0.338 176.416 176.300 -0.369 0.000 1.072 317 R CA -0.256 55.553 56.100 -0.485 0.000 1.048 317 R CB 0.352 30.162 30.300 -0.816 0.000 0.983 317 R HN 0.638 nan 8.270 nan 0.000 0.450 318 V N 2.172 121.792 119.914 -0.489 0.000 2.575 318 V HA 0.026 4.103 4.120 -0.072 0.000 0.242 318 V C 0.227 175.978 176.094 -0.571 0.000 1.045 318 V CA 1.448 63.500 62.300 -0.412 0.000 1.065 318 V CB 0.253 31.849 31.823 -0.379 0.000 0.717 318 V HN 0.970 nan 8.190 nan 0.000 0.467 319 S N -1.191 114.034 115.700 -0.792 0.000 2.595 319 S HA 0.578 5.005 4.470 -0.072 0.000 0.270 319 S C -1.285 172.888 174.600 -0.711 0.000 1.145 319 S CA -0.621 57.117 58.200 -0.769 0.000 0.825 319 S CB 2.161 64.659 63.200 -1.171 0.000 1.107 319 S HN 0.167 nan 8.310 nan 0.000 0.461 320 I N 1.218 121.471 120.570 -0.528 0.000 2.465 320 I HA 0.627 4.754 4.170 -0.072 0.000 0.291 320 I C -1.797 174.014 176.117 -0.511 0.000 1.014 320 I CA -1.366 59.599 61.300 -0.560 0.000 1.093 320 I CB 1.101 38.774 38.000 -0.545 0.000 1.267 320 I HN 0.727 nan 8.210 nan 0.000 0.431 321 L N 7.782 128.685 121.223 -0.535 0.000 2.333 321 L HA 0.525 4.822 4.340 -0.072 0.000 0.280 321 L C -1.119 175.552 176.870 -0.331 0.000 1.004 321 L CA -0.489 54.164 54.840 -0.311 0.000 0.820 321 L CB 1.482 43.322 42.059 -0.365 0.000 1.247 321 L HN 0.479 nan 8.230 nan 0.000 0.416 322 F N 0.648 120.689 119.950 0.151 0.000 2.483 322 F HA 0.789 5.320 4.527 0.006 0.000 0.329 322 F C 1.050 177.023 175.800 0.288 0.000 1.064 322 F CA 0.055 58.166 58.000 0.186 0.000 0.986 322 F CB 2.010 41.080 39.000 0.117 0.000 1.218 322 F HN 0.571 nan 8.300 nan 0.000 0.484 323 G N -0.631 108.428 108.800 0.431 0.000 4.205 323 G HA2 -0.090 3.827 3.960 -0.072 0.000 0.200 323 G HA3 -0.090 3.827 3.960 -0.072 0.000 0.200 323 G C -0.198 174.786 174.900 0.139 0.000 1.190 323 G CA -0.616 44.628 45.100 0.240 0.000 0.861 323 G HN 0.537 nan 8.290 nan 0.000 0.326 324 H N 1.365 120.600 119.070 0.276 0.000 2.852 324 H HA 0.310 4.823 4.556 -0.072 0.000 0.362 324 H C 0.508 175.903 175.328 0.111 0.000 1.122 324 H CA 0.858 57.004 56.048 0.163 0.000 1.419 324 H CB 1.143 31.005 29.762 0.168 0.000 1.401 324 H HN 0.469 nan 8.280 nan 0.000 0.609 325 E N 0.721 120.986 120.200 0.108 0.000 2.501 325 E HA 0.078 4.385 4.350 -0.072 0.000 0.201 325 E C 0.140 176.421 176.600 -0.530 0.000 1.016 325 E CA -0.126 56.247 56.400 -0.046 0.000 0.920 325 E CB 0.641 30.336 29.700 -0.008 0.000 1.023 325 E HN 0.395 nan 8.360 nan 0.000 0.474 326 N N 0.315 118.545 118.700 -0.783 0.000 3.277 326 N HA 0.181 4.878 4.740 -0.072 0.000 0.278 326 N C -1.222 173.852 175.510 -0.727 0.000 1.544 326 N CA -0.675 51.619 53.050 -1.260 0.000 0.869 326 N CB 1.061 39.330 38.487 -0.364 0.000 1.584 326 N HN -0.152 nan 8.380 nan 0.000 0.564 327 R N 0.313 120.570 120.500 -0.405 0.000 2.566 327 R HA 0.070 4.367 4.340 -0.072 0.000 0.273 327 R C -0.296 175.832 176.300 -0.287 0.000 0.981 327 R CA 0.115 56.030 56.100 -0.309 0.000 1.091 327 R CB 0.018 29.762 30.300 -0.928 0.000 0.924 327 R HN 0.209 nan 8.270 nan 0.000 0.411 328 V N 3.287 123.112 119.914 -0.149 0.000 2.427 328 V HA -0.022 4.055 4.120 -0.072 0.000 0.268 328 V C 1.321 177.318 176.094 -0.163 0.000 1.046 328 V CA 0.408 62.619 62.300 -0.148 0.000 0.970 328 V CB 1.184 33.013 31.823 0.010 0.000 1.001 328 V HN 0.971 nan 8.190 nan 0.000 0.476 329 S N 2.231 117.850 115.700 -0.135 0.000 2.502 329 S HA 0.156 4.583 4.470 -0.072 0.000 0.215 329 S C 0.722 175.331 174.600 0.015 0.000 1.009 329 S CA 0.272 58.432 58.200 -0.066 0.000 0.908 329 S CB 0.570 63.821 63.200 0.084 0.000 0.801 329 S HN 0.710 nan 8.310 nan 0.000 0.505 330 T N 0.510 115.081 114.554 0.028 0.000 2.982 330 T HA 0.623 4.930 4.350 -0.072 0.000 0.321 330 T C -2.274 172.487 174.700 0.103 0.000 1.229 330 T CA -0.639 61.503 62.100 0.069 0.000 1.044 330 T CB 1.644 70.562 68.868 0.083 0.000 1.184 330 T HN 0.346 nan 8.240 nan 0.000 0.477 331 L N 4.173 125.473 121.223 0.129 0.000 2.639 331 L HA 0.716 5.013 4.340 -0.072 0.000 0.264 331 L C -1.455 175.543 176.870 0.213 0.000 0.948 331 L CA -0.609 54.345 54.840 0.190 0.000 0.912 331 L CB 1.295 43.428 42.059 0.123 0.000 1.294 331 L HN 0.569 nan 8.230 nan 0.000 0.412 332 R N 3.632 124.327 120.500 0.326 0.000 2.628 332 R HA 0.577 4.874 4.340 -0.072 0.000 0.288 332 R C -1.113 175.496 176.300 0.516 0.000 0.980 332 R CA -0.792 55.544 56.100 0.394 0.000 0.891 332 R CB 2.372 32.964 30.300 0.486 0.000 1.188 332 R HN 0.355 nan 8.270 nan 0.000 0.450 333 V N 2.228 122.308 119.914 0.275 0.000 2.649 333 V HA 0.121 4.198 4.120 -0.072 0.000 0.292 333 V C 1.005 176.996 176.094 -0.172 0.000 1.055 333 V CA -0.259 62.104 62.300 0.105 0.000 1.023 333 V CB 1.492 33.330 31.823 0.024 0.000 0.992 333 V HN 0.954 nan 8.190 nan 0.000 0.480 334 S N 5.064 120.407 115.700 -0.595 0.000 2.584 334 S HA 0.212 4.639 4.470 -0.072 0.000 0.270 334 S C -1.695 172.512 174.600 -0.654 0.000 1.346 334 S CA -0.823 56.516 58.200 -1.435 0.000 1.018 334 S CB 0.737 62.936 63.200 -1.668 0.000 0.899 334 S HN 0.584 nan 8.310 nan 0.000 0.542 335 P HA -0.075 nan 4.420 nan 0.000 0.219 335 P C 0.534 177.726 177.300 -0.179 0.000 1.146 335 P CA 1.329 64.293 63.100 -0.227 0.000 0.808 335 P CB -0.117 31.494 31.700 -0.149 0.000 0.779 336 D N -2.680 117.586 120.400 -0.223 0.000 2.395 336 D HA 0.155 4.752 4.640 -0.072 0.000 0.213 336 D C 1.220 177.443 176.300 -0.128 0.000 1.110 336 D CA 0.104 54.017 54.000 -0.145 0.000 0.835 336 D CB -0.834 39.889 40.800 -0.128 0.000 0.965 336 D HN 0.136 nan 8.370 nan 0.000 0.505 337 G N 0.787 109.491 108.800 -0.160 0.000 2.160 337 G HA2 -0.348 3.569 3.960 -0.072 0.000 0.251 337 G HA3 -0.348 3.569 3.960 -0.072 0.000 0.251 337 G C 0.996 175.853 174.900 -0.071 0.000 1.008 337 G CA 1.031 46.075 45.100 -0.092 0.000 0.724 337 G HN 0.578 nan 8.290 nan 0.000 0.514 338 T N -3.665 110.818 114.554 -0.118 0.000 3.057 338 T HA 0.692 4.999 4.350 -0.072 0.000 0.254 338 T C 0.993 175.663 174.700 -0.049 0.000 1.094 338 T CA 1.444 63.501 62.100 -0.071 0.000 1.088 338 T CB 0.609 69.429 68.868 -0.080 0.000 0.934 338 T HN 1.867 nan 8.240 nan 0.000 0.497 339 A N 0.907 123.672 122.820 -0.091 0.000 2.581 339 A HA 0.738 5.015 4.320 -0.072 0.000 0.290 339 A C -1.702 175.910 177.584 0.046 0.000 1.119 339 A CA -1.302 50.724 52.037 -0.019 0.000 0.670 339 A CB 0.881 19.893 19.000 0.020 0.000 1.280 339 A HN 0.628 nan 8.150 nan 0.000 0.425 340 F N -1.296 118.695 119.950 0.069 0.000 2.613 340 F HA 0.777 5.259 4.527 -0.075 0.000 0.314 340 F C -0.711 175.355 175.800 0.444 0.000 1.075 340 F CA -1.190 56.905 58.000 0.159 0.000 0.945 340 F CB 1.089 39.932 39.000 -0.261 0.000 1.310 340 F HN 0.797 nan 8.300 nan 0.000 0.467 341 C N 2.852 122.533 119.300 0.635 0.000 2.379 341 C HA 0.859 5.276 4.460 -0.072 0.000 0.323 341 C C -0.461 174.796 174.990 0.445 0.000 1.262 341 C CA 0.020 59.244 59.018 0.344 0.000 1.581 341 C CB 0.457 28.175 27.740 -0.036 0.000 2.221 341 C HN 1.048 nan 8.230 nan 0.000 0.497 342 S N 4.278 120.254 115.700 0.460 0.000 2.472 342 S HA 0.855 5.282 4.470 -0.072 0.000 0.303 342 S C -0.219 174.528 174.600 0.245 0.000 1.099 342 S CA -0.362 58.107 58.200 0.448 0.000 1.077 342 S CB 1.644 65.284 63.200 0.734 0.000 1.031 342 S HN 1.353 nan 8.310 nan 0.000 0.487 343 G N 0.220 109.070 108.800 0.083 0.000 2.432 343 G HA2 0.658 4.575 3.960 -0.072 0.000 0.331 343 G HA3 0.658 4.575 3.960 -0.072 0.000 0.331 343 G C -1.026 173.784 174.900 -0.149 0.000 1.170 343 G CA -0.791 44.303 45.100 -0.010 0.000 0.943 343 G HN 0.925 nan 8.290 nan 0.000 0.483 344 S N -0.528 115.086 115.700 -0.145 0.000 2.564 344 S HA 0.390 4.817 4.470 -0.072 0.000 0.274 344 S C -0.288 174.399 174.600 0.145 0.000 1.124 344 S CA -0.658 57.443 58.200 -0.166 0.000 0.869 344 S CB 0.844 63.739 63.200 -0.508 0.000 1.105 344 S HN 0.507 nan 8.310 nan 0.000 0.472 345 W N 2.097 123.338 121.300 -0.099 0.000 2.632 345 W HA 0.046 4.663 4.660 -0.071 0.000 0.248 345 W C 1.466 177.987 176.519 0.002 0.000 1.259 345 W CA 0.789 58.111 57.345 -0.037 0.000 1.288 345 W CB -0.784 28.649 29.460 -0.045 0.000 1.136 345 W HN 0.862 nan 8.180 nan 0.000 0.640 346 D N -1.877 118.605 120.400 0.137 0.000 2.352 346 D HA -0.166 4.431 4.640 -0.072 0.000 0.232 346 D C 0.547 176.865 176.300 0.029 0.000 1.055 346 D CA 0.857 54.854 54.000 -0.005 0.000 0.891 346 D CB -1.108 39.687 40.800 -0.009 0.000 0.897 346 D HN 0.498 nan 8.370 nan 0.000 0.529 347 H N -2.347 116.752 119.070 0.048 0.000 3.636 347 H HA -0.157 4.357 4.556 -0.069 0.000 0.179 347 H C -0.056 175.342 175.328 0.116 0.000 0.968 347 H CA 0.682 56.767 56.048 0.060 0.000 1.220 347 H CB -2.084 27.709 29.762 0.051 0.000 1.023 347 H HN 0.497 nan 8.280 nan 0.000 0.366 348 T N -0.672 114.011 114.554 0.214 0.000 2.942 348 T HA 0.730 5.037 4.350 -0.072 0.000 0.289 348 T C -0.180 174.602 174.700 0.135 0.000 1.044 348 T CA -1.067 61.130 62.100 0.161 0.000 1.023 348 T CB 2.875 71.817 68.868 0.122 0.000 1.123 348 T HN 0.138 nan 8.240 nan 0.000 0.512 349 L N 0.492 121.725 121.223 0.016 0.000 2.341 349 L HA 0.731 5.028 4.340 -0.072 0.000 0.267 349 L C 0.303 177.129 176.870 -0.073 0.000 1.009 349 L CA -0.960 53.877 54.840 -0.006 0.000 0.819 349 L CB 1.969 43.918 42.059 -0.184 0.000 1.323 349 L HN 0.646 nan 8.230 nan 0.000 0.425 350 R N 0.472 120.969 120.500 -0.005 0.000 2.686 350 R HA 0.760 5.057 4.340 -0.072 0.000 0.286 350 R C -1.544 174.601 176.300 -0.259 0.000 0.969 350 R CA -0.897 55.040 56.100 -0.271 0.000 0.898 350 R CB 2.518 32.500 30.300 -0.530 0.000 1.183 350 R HN 0.300 nan 8.270 nan 0.000 0.456 351 V N 2.812 122.511 119.914 -0.358 0.000 2.398 351 V HA 0.396 4.472 4.120 -0.072 0.000 0.286 351 V C -0.935 174.940 176.094 -0.365 0.000 1.026 351 V CA -0.675 61.502 62.300 -0.206 0.000 0.868 351 V CB 0.872 32.665 31.823 -0.050 0.000 0.982 351 V HN 0.627 nan 8.190 nan 0.000 0.443 352 W N 3.145 124.161 121.300 -0.474 0.000 2.627 352 W HA 0.853 5.465 4.660 -0.080 0.000 0.339 352 W C 0.100 176.428 176.519 -0.318 0.000 1.058 352 W CA -0.304 56.755 57.345 -0.476 0.000 1.223 352 W CB 1.861 30.812 29.460 -0.848 0.000 1.389 352 W HN 0.745 nan 8.180 nan 0.000 0.541 353 A N 0.000 122.862 122.820 0.069 0.000 2.254 353 A HA 0.000 4.277 4.320 -0.072 0.000 0.244 353 A CA 0.000 52.064 52.037 0.045 0.000 0.836 353 A CB 0.000 19.014 19.000 0.023 0.000 0.831 353 A HN 0.000 nan 8.150 nan 0.000 0.486