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 3pbk_1_B DATA FIRST_RESID 13 DATA SEQUENCE LPXRYADFPT LVDALDYAAL SSAGXNFYDR RCQLEDQLEY QTLKARAEAG DATA SEQUENCE AKRLLSLNLK KGDRVALIAE TSSEFVEAFF ACQYAGLVAV PLAIPXXXXX DATA SEQUENCE XXSWSAKLQG LLASCQPAAI ITGDEWLPLV NAATHDNPEL HVLSHAWFKA DATA SEQUENCE LPEADVALQR PVPNDIAYLQ YTSGSTRFPR GVIITHREVX ANLRAISHDG DATA SEQUENCE IKLRPGDRCV SWLPFYHDXG LVGFLLTPVA TQLSVDYLRT QDFAXRPLQW DATA SEQUENCE LKLISKNRGT VSVAPPFGYE LCQRRVNEKD LAELDLSCWR VAGIGAEPIS DATA SEQUENCE AEQLHQFAEC FRQVNFDNKT FXPCYGLAEN ALAVSFSDEA SGVVVNEVDR DATA SEQUENCE DILEYQGKAV APGAETRAVS TFVNCGKALP EHGIEIRNEA GXPVAERVVG DATA SEQUENCE HICISGPSLX SGYFGDQVSQ DEIAATGWLD TGDLGYLLDG YLYVTGRIKD DATA SEQUENCE LIIIRGRNIW PQDIEYIAEQ EPEIHSGDAI AFVTAQEKII LQIQCRISDE DATA SEQUENCE ERRGQLIHAL AARIQSEFGV TAAIDLLPPH SIPRTSSGKP ARAEAKKRYQ DATA SEQUENCE KAYAASL 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 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.925 176.870 0.091 0.000 1.165 13 L CA 0.000 54.855 54.840 0.026 0.000 0.813 13 L CB 0.000 42.032 42.059 -0.046 0.000 0.961 17 Y N 1.317 121.571 120.300 -0.076 0.000 2.767 17 Y HA 0.251 4.801 4.550 0.000 0.000 0.354 17 Y C 1.173 177.048 175.900 -0.042 0.000 1.292 17 Y CA 0.429 58.523 58.100 -0.010 0.000 1.749 17 Y CB 0.280 38.760 38.460 0.033 0.000 1.841 17 Y HN 0.878 nan 8.280 nan 0.000 0.454 18 A N 0.136 123.030 122.820 0.123 0.000 2.799 18 A HA -0.299 4.021 4.320 -0.000 0.000 0.287 18 A C 1.456 179.010 177.584 -0.050 0.000 1.484 18 A CA 1.090 53.246 52.037 0.198 0.000 0.813 18 A CB -1.641 17.457 19.000 0.164 0.000 1.009 18 A HN 0.640 nan 8.150 nan 0.000 0.545 19 D N -1.029 119.055 120.400 -0.525 0.000 2.403 19 D HA 0.065 4.705 4.640 -0.000 0.000 0.227 19 D C 0.470 176.415 176.300 -0.591 0.000 0.995 19 D CA 0.864 54.502 54.000 -0.605 0.000 0.928 19 D CB -0.172 40.201 40.800 -0.712 0.000 0.887 19 D HN 0.712 nan 8.370 nan 0.000 0.529 20 F N -0.179 119.732 119.950 -0.064 0.000 2.377 20 F HA 0.272 4.799 4.527 0.000 0.000 0.328 20 F C -1.077 174.706 175.800 -0.029 0.000 1.094 20 F CA -2.292 55.674 58.000 -0.057 0.000 1.093 20 F CB 0.161 39.130 39.000 -0.052 0.000 1.214 20 F HN -0.278 nan 8.300 nan 0.000 0.518 21 P HA 0.007 nan 4.420 nan 0.000 0.220 21 P C 0.008 177.345 177.300 0.062 0.000 1.152 21 P CA 1.069 64.204 63.100 0.059 0.000 0.812 21 P CB 0.136 31.843 31.700 0.012 0.000 0.792 22 T N -5.096 109.488 114.554 0.050 0.000 2.864 22 T HA 0.369 4.719 4.350 -0.000 0.000 0.299 22 T C 0.721 175.472 174.700 0.085 0.000 1.166 22 T CA -0.806 61.273 62.100 -0.034 0.000 1.007 22 T CB 0.696 69.313 68.868 -0.419 0.000 1.219 22 T HN -0.223 nan 8.240 nan 0.000 0.506 23 L N 1.125 122.526 121.223 0.296 0.000 2.131 23 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 23 L C 2.670 179.646 176.870 0.178 0.000 1.092 23 L CA 0.882 55.901 54.840 0.298 0.000 0.759 23 L CB -0.457 41.851 42.059 0.415 0.000 0.903 23 L HN 0.616 nan 8.230 nan 0.000 0.435 24 V N -0.555 119.352 119.914 -0.012 0.000 2.379 24 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 24 V C 2.064 178.043 176.094 -0.190 0.000 1.044 24 V CA 1.703 63.862 62.300 -0.235 0.000 1.036 24 V CB -0.465 31.002 31.823 -0.594 0.000 0.664 24 V HN 0.427 nan 8.190 nan 0.000 0.453 25 D N 0.713 121.027 120.400 -0.142 0.000 2.123 25 D HA -0.159 4.480 4.640 -0.000 0.000 0.196 25 D C 2.229 178.361 176.300 -0.280 0.000 0.992 25 D CA 1.718 55.665 54.000 -0.088 0.000 0.833 25 D CB -0.262 40.564 40.800 0.044 0.000 0.954 25 D HN 0.453 nan 8.370 nan 0.000 0.455 26 A N 0.753 123.336 122.820 -0.396 0.000 1.902 26 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 26 A C 2.161 179.394 177.584 -0.585 0.000 1.181 26 A CA 0.981 52.454 52.037 -0.940 0.000 0.623 26 A CB -0.615 18.142 19.000 -0.406 0.000 0.818 26 A HN 0.233 nan 8.150 nan 0.000 0.443 27 L N 0.081 121.150 121.223 -0.256 0.000 2.027 27 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 27 L C 1.674 178.476 176.870 -0.114 0.000 1.074 27 L CA 2.370 57.087 54.840 -0.206 0.000 0.745 27 L CB -0.788 41.204 42.059 -0.111 0.000 0.898 27 L HN 0.330 nan 8.230 nan 0.000 0.433 28 D N -1.131 119.250 120.400 -0.032 0.000 2.133 28 D HA -0.311 4.329 4.640 -0.000 0.000 0.192 28 D C 2.024 178.329 176.300 0.008 0.000 1.001 28 D CA 2.044 56.061 54.000 0.029 0.000 0.844 28 D CB -0.326 40.499 40.800 0.041 0.000 0.944 28 D HN 0.494 nan 8.370 nan 0.000 0.447 29 Y N 1.266 121.456 120.300 -0.184 0.000 2.133 29 Y HA -0.109 4.441 4.550 -0.000 0.000 0.287 29 Y C 2.360 178.200 175.900 -0.100 0.000 1.134 29 Y CA 1.656 59.683 58.100 -0.122 0.000 1.133 29 Y CB -0.501 37.866 38.460 -0.156 0.000 0.987 29 Y HN -0.044 nan 8.280 nan 0.000 0.502 30 A N 0.642 123.401 122.820 -0.102 0.000 1.958 30 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 30 A C 2.360 179.922 177.584 -0.036 0.000 1.178 30 A CA 2.048 54.016 52.037 -0.114 0.000 0.642 30 A CB -1.571 17.226 19.000 -0.339 0.000 0.816 30 A HN 0.617 nan 8.150 nan 0.000 0.453 31 A N -0.754 122.036 122.820 -0.050 0.000 2.131 31 A HA 0.019 4.339 4.320 -0.000 0.000 0.220 31 A C 1.881 179.432 177.584 -0.053 0.000 1.158 31 A CA 1.397 53.423 52.037 -0.017 0.000 0.665 31 A CB -0.488 18.502 19.000 -0.016 0.000 0.795 31 A HN 0.517 nan 8.150 nan 0.000 0.460 32 L N -0.059 121.083 121.223 -0.135 0.000 2.592 32 L HA 0.083 4.423 4.340 -0.000 0.000 0.227 32 L C 1.213 177.991 176.870 -0.154 0.000 1.127 32 L CA 0.303 55.043 54.840 -0.167 0.000 0.884 32 L CB -0.086 41.808 42.059 -0.276 0.000 1.065 32 L HN 0.475 nan 8.230 nan 0.000 0.457 33 S N -1.244 114.388 115.700 -0.113 0.000 2.654 33 S HA 0.226 4.695 4.470 -0.000 0.000 0.283 33 S C 0.871 175.462 174.600 -0.016 0.000 1.180 33 S CA -0.317 57.851 58.200 -0.052 0.000 1.021 33 S CB 1.718 64.917 63.200 -0.001 0.000 1.018 33 S HN 0.172 nan 8.310 nan 0.000 0.532 34 S N 0.586 116.273 115.700 -0.020 0.000 2.763 34 S HA 0.504 4.974 4.470 -0.000 0.000 0.237 34 S C 0.543 175.108 174.600 -0.057 0.000 0.966 34 S CA -0.347 57.832 58.200 -0.034 0.000 1.017 34 S CB -0.867 62.315 63.200 -0.030 0.000 0.780 34 S HN 1.058 nan 8.310 nan 0.000 0.476 35 A N 0.544 123.337 122.820 -0.046 0.000 2.264 35 A HA 0.942 5.262 4.320 -0.000 0.000 0.304 35 A C 0.556 177.827 177.584 -0.521 0.000 1.100 35 A CA -0.224 51.732 52.037 -0.135 0.000 0.839 35 A CB 0.851 19.891 19.000 0.066 0.000 1.121 35 A HN 0.905 nan 8.150 nan 0.000 0.496 39 F N 1.745 121.653 119.950 -0.069 0.000 2.415 39 F HA 0.484 5.011 4.527 -0.000 0.000 0.348 39 F C -0.054 175.638 175.800 -0.181 0.000 1.119 39 F CA -0.479 57.542 58.000 0.034 0.000 1.069 39 F CB 0.848 39.892 39.000 0.073 0.000 1.124 39 F HN 0.328 nan 8.300 nan 0.000 0.472 40 Y N 1.148 121.586 120.300 0.230 0.000 2.446 40 Y HA 0.289 4.839 4.550 -0.000 0.000 0.338 40 Y C 0.150 176.126 175.900 0.126 0.000 1.055 40 Y CA -1.236 56.950 58.100 0.142 0.000 1.101 40 Y CB 1.301 39.816 38.460 0.093 0.000 1.221 40 Y HN 0.624 nan 8.280 nan 0.000 0.460 41 D N 0.542 121.092 120.400 0.250 0.000 2.414 41 D HA 0.079 4.719 4.640 -0.000 0.000 0.251 41 D C 0.785 177.176 176.300 0.152 0.000 1.252 41 D CA -0.639 53.459 54.000 0.162 0.000 0.999 41 D CB 0.555 41.420 40.800 0.108 0.000 1.093 41 D HN 0.655 nan 8.370 nan 0.000 0.515 42 R N -0.720 119.837 120.500 0.095 0.000 2.319 42 R HA 0.147 4.487 4.340 -0.000 0.000 0.204 42 R C 1.208 177.537 176.300 0.048 0.000 0.954 42 R CA 0.205 56.345 56.100 0.066 0.000 1.066 42 R CB -0.155 30.167 30.300 0.036 0.000 0.991 42 R HN 0.288 nan 8.270 nan 0.000 0.486 43 R N -0.411 120.125 120.500 0.061 0.000 2.365 43 R HA 0.190 4.530 4.340 -0.000 0.000 0.223 43 R C -0.265 176.066 176.300 0.051 0.000 0.899 43 R CA 0.245 56.372 56.100 0.045 0.000 1.059 43 R CB 0.388 30.713 30.300 0.042 0.000 1.086 43 R HN 0.327 nan 8.270 nan 0.000 0.522 44 C N 2.021 121.373 119.300 0.087 0.000 4.623 44 C HA -0.094 4.366 4.460 -0.000 0.000 0.294 44 C C -0.706 174.410 174.990 0.210 0.000 1.274 44 C CA 0.144 59.201 59.018 0.064 0.000 2.099 44 C CB -1.561 26.134 27.740 -0.074 0.000 1.221 44 C HN 0.413 nan 8.230 nan 0.000 0.767 45 Q N -0.064 119.906 119.800 0.284 0.000 2.282 45 Q HA 0.530 4.870 4.340 -0.000 0.000 0.260 45 Q C 0.104 176.261 176.000 0.262 0.000 0.964 45 Q CA -0.563 55.392 55.803 0.253 0.000 0.880 45 Q CB 1.458 30.270 28.738 0.125 0.000 1.286 45 Q HN 0.694 nan 8.270 nan 0.000 0.445 46 L N 2.841 124.133 121.223 0.115 0.000 2.654 46 L HA -0.081 4.259 4.340 -0.000 0.000 0.271 46 L C 1.296 178.100 176.870 -0.110 0.000 1.169 46 L CA 0.647 55.349 54.840 -0.230 0.000 0.947 46 L CB 0.348 42.313 42.059 -0.156 0.000 1.232 46 L HN 0.786 nan 8.230 nan 0.000 0.486 47 E N 2.314 122.445 120.200 -0.114 0.000 2.127 47 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 47 E C -0.197 176.391 176.600 -0.020 0.000 0.964 47 E CA 0.355 56.745 56.400 -0.018 0.000 0.832 47 E CB 0.634 30.356 29.700 0.036 0.000 0.790 47 E HN 0.700 nan 8.360 nan 0.000 0.465 48 D N -0.987 119.419 120.400 0.010 0.000 2.622 48 D HA 0.165 4.805 4.640 -0.000 0.000 0.255 48 D C -1.714 174.681 176.300 0.159 0.000 1.246 48 D CA -0.450 53.568 54.000 0.030 0.000 0.795 48 D CB 1.552 42.300 40.800 -0.087 0.000 1.369 48 D HN -0.024 nan 8.370 nan 0.000 0.425 49 Q N 1.222 121.097 119.800 0.126 0.000 2.379 49 Q HA 0.630 4.970 4.340 -0.000 0.000 0.278 49 Q C -2.051 174.038 176.000 0.148 0.000 1.068 49 Q CA -0.906 54.987 55.803 0.151 0.000 0.816 49 Q CB 2.039 30.793 28.738 0.026 0.000 1.387 49 Q HN 0.379 nan 8.270 nan 0.000 0.413 50 L N 3.101 124.429 121.223 0.175 0.000 2.457 50 L HA 0.422 4.762 4.340 -0.000 0.000 0.266 50 L C -1.419 175.434 176.870 -0.028 0.000 0.979 50 L CA -0.005 54.909 54.840 0.122 0.000 0.857 50 L CB 1.867 44.095 42.059 0.282 0.000 1.213 50 L HN 0.686 nan 8.230 nan 0.000 0.418 51 E N 3.776 123.935 120.200 -0.069 0.000 2.331 51 E HA 0.134 4.484 4.350 -0.000 0.000 0.272 51 E C -0.124 176.417 176.600 -0.098 0.000 1.036 51 E CA -0.508 55.793 56.400 -0.164 0.000 0.864 51 E CB 0.715 30.354 29.700 -0.102 0.000 1.035 51 E HN 0.468 nan 8.360 nan 0.000 0.408 52 Y N 1.344 121.615 120.300 -0.048 0.000 2.241 52 Y HA -0.296 4.254 4.550 -0.000 0.000 0.286 52 Y C 2.569 178.412 175.900 -0.094 0.000 1.166 52 Y CA 1.580 59.624 58.100 -0.092 0.000 1.203 52 Y CB -0.681 37.720 38.460 -0.100 0.000 0.977 52 Y HN 0.675 nan 8.280 nan 0.000 0.529 53 Q N -0.046 119.788 119.800 0.056 0.000 2.030 53 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 53 Q C 1.881 177.875 176.000 -0.010 0.000 0.986 53 Q CA 2.798 58.605 55.803 0.007 0.000 0.843 53 Q CB -0.307 28.422 28.738 -0.014 0.000 0.904 53 Q HN 0.406 nan 8.270 nan 0.000 0.420 54 T N 1.322 115.868 114.554 -0.014 0.000 2.904 54 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 54 T C 1.632 176.318 174.700 -0.024 0.000 1.059 54 T CA 0.912 63.000 62.100 -0.020 0.000 1.137 54 T CB -0.234 68.625 68.868 -0.015 0.000 0.879 54 T HN 0.270 nan 8.240 nan 0.000 0.467 55 L N 1.952 123.168 121.223 -0.011 0.000 2.042 55 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 55 L C 2.294 179.095 176.870 -0.114 0.000 1.076 55 L CA 1.869 56.687 54.840 -0.036 0.000 0.749 55 L CB -0.644 41.403 42.059 -0.020 0.000 0.893 55 L HN 0.099 nan 8.230 nan 0.000 0.432 56 K N -0.637 119.695 120.400 -0.114 0.000 2.063 56 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 56 K C 1.967 178.452 176.600 -0.192 0.000 1.048 56 K CA 1.469 57.656 56.287 -0.168 0.000 0.928 56 K CB -0.274 32.190 32.500 -0.059 0.000 0.713 56 K HN 0.452 nan 8.250 nan 0.000 0.442 57 A N 1.821 124.578 122.820 -0.106 0.000 1.851 57 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 57 A C 2.135 179.658 177.584 -0.101 0.000 1.195 57 A CA 1.770 53.755 52.037 -0.087 0.000 0.622 57 A CB -0.604 18.365 19.000 -0.051 0.000 0.831 57 A HN 0.393 nan 8.150 nan 0.000 0.444 58 R N -0.478 119.975 120.500 -0.078 0.000 2.096 58 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 58 R C 2.455 178.718 176.300 -0.062 0.000 1.127 58 R CA 1.188 57.257 56.100 -0.052 0.000 0.968 58 R CB -0.568 29.725 30.300 -0.011 0.000 0.861 58 R HN 0.517 nan 8.270 nan 0.000 0.440 59 A N 1.683 124.423 122.820 -0.132 0.000 1.902 59 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 59 A C 1.959 179.381 177.584 -0.270 0.000 1.181 59 A CA 1.495 53.426 52.037 -0.177 0.000 0.623 59 A CB -0.318 18.483 19.000 -0.333 0.000 0.818 59 A HN 0.352 nan 8.150 nan 0.000 0.443 60 E N -0.214 119.756 120.200 -0.384 0.000 2.047 60 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 60 E C 2.408 178.968 176.600 -0.067 0.000 0.987 60 E CA 0.840 57.102 56.400 -0.231 0.000 0.799 60 E CB -0.349 29.251 29.700 -0.166 0.000 0.752 60 E HN 0.594 nan 8.360 nan 0.000 0.449 61 A N 1.507 124.285 122.820 -0.070 0.000 1.849 61 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 61 A C 2.527 180.086 177.584 -0.042 0.000 1.202 61 A CA 2.117 54.123 52.037 -0.053 0.000 0.629 61 A CB -1.618 17.339 19.000 -0.071 0.000 0.834 61 A HN 0.384 nan 8.150 nan 0.000 0.447 62 G N -0.813 107.971 108.800 -0.028 0.000 2.475 62 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.220 62 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.220 62 G C 1.706 176.742 174.900 0.227 0.000 1.125 62 G CA 1.719 46.860 45.100 0.069 0.000 0.755 62 G HN 0.922 nan 8.290 nan 0.000 0.565 63 A N 0.872 123.777 122.820 0.142 0.000 1.883 63 A HA -0.057 4.262 4.320 -0.000 0.000 0.217 63 A C 2.331 179.988 177.584 0.121 0.000 1.186 63 A CA 2.020 54.146 52.037 0.149 0.000 0.624 63 A CB -0.363 18.729 19.000 0.152 0.000 0.822 63 A HN 0.399 nan 8.150 nan 0.000 0.444 64 K N -0.763 119.684 120.400 0.077 0.000 2.103 64 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 64 K C 2.255 178.887 176.600 0.053 0.000 1.052 64 K CA 1.073 57.393 56.287 0.056 0.000 0.945 64 K CB -0.178 32.341 32.500 0.031 0.000 0.722 64 K HN 0.390 nan 8.250 nan 0.000 0.443 65 R N 0.888 121.411 120.500 0.038 0.000 2.105 65 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 65 R C 2.313 178.691 176.300 0.130 0.000 1.135 65 R CA 1.118 57.237 56.100 0.031 0.000 0.967 65 R CB -0.440 29.787 30.300 -0.121 0.000 0.861 65 R HN 0.189 nan 8.270 nan 0.000 0.442 66 L N 0.557 121.908 121.223 0.213 0.000 2.141 66 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 66 L C 2.229 179.146 176.870 0.079 0.000 1.094 66 L CA 0.971 55.920 54.840 0.182 0.000 0.763 66 L CB -0.238 41.922 42.059 0.167 0.000 0.908 66 L HN 0.213 nan 8.230 nan 0.000 0.437 67 L N -0.618 120.647 121.223 0.070 0.000 2.376 67 L HA -0.106 4.234 4.340 -0.000 0.000 0.219 67 L C 2.551 179.443 176.870 0.037 0.000 1.133 67 L CA 0.923 55.789 54.840 0.042 0.000 0.816 67 L CB -0.324 41.761 42.059 0.044 0.000 0.933 67 L HN 0.327 nan 8.230 nan 0.000 0.449 68 S N -0.544 115.185 115.700 0.048 0.000 2.607 68 S HA 0.026 4.496 4.470 -0.000 0.000 0.224 68 S C 1.447 176.082 174.600 0.059 0.000 0.969 68 S CA 0.168 58.396 58.200 0.046 0.000 0.927 68 S CB -0.326 62.900 63.200 0.043 0.000 0.772 68 S HN 0.433 nan 8.310 nan 0.000 0.533 69 L N 1.215 122.471 121.223 0.055 0.000 2.627 69 L HA 0.315 4.655 4.340 -0.000 0.000 0.232 69 L C 0.722 177.606 176.870 0.023 0.000 1.150 69 L CA -0.125 54.751 54.840 0.060 0.000 0.917 69 L CB -1.388 40.634 42.059 -0.062 0.000 1.104 69 L HN 0.374 nan 8.230 nan 0.000 0.445 70 N N 0.676 119.391 118.700 0.025 0.000 2.727 70 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 70 N C -0.240 175.267 175.510 -0.005 0.000 1.048 70 N CA -0.056 53.004 53.050 0.018 0.000 0.714 70 N CB -0.607 37.901 38.487 0.033 0.000 0.959 70 N HN 0.318 nan 8.380 nan 0.000 0.544 71 L N 0.277 121.484 121.223 -0.027 0.000 2.417 71 L HA 0.285 4.624 4.340 -0.000 0.000 0.268 71 L C 0.704 177.566 176.870 -0.013 0.000 1.158 71 L CA 0.032 54.848 54.840 -0.040 0.000 0.819 71 L CB 0.823 42.843 42.059 -0.064 0.000 1.112 71 L HN 0.080 nan 8.230 nan 0.000 0.458 72 K N 1.880 122.274 120.400 -0.010 0.000 2.203 72 K HA 0.328 4.648 4.320 -0.000 0.000 0.251 72 K C -0.688 175.913 176.600 0.002 0.000 0.944 72 K CA -1.100 55.188 56.287 0.002 0.000 0.829 72 K CB 2.163 34.667 32.500 0.007 0.000 1.125 72 K HN 0.348 nan 8.250 nan 0.000 0.430 73 K N 0.226 120.630 120.400 0.007 0.000 2.561 73 K HA -0.096 4.224 4.320 -0.000 0.000 0.280 73 K C 0.855 177.462 176.600 0.012 0.000 0.975 73 K CA 1.695 57.987 56.287 0.008 0.000 1.024 73 K CB -0.074 32.432 32.500 0.010 0.000 0.883 73 K HN 0.772 nan 8.250 nan 0.000 0.496 74 G N 2.380 111.185 108.800 0.010 0.000 2.320 74 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.242 74 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.242 74 G C -0.065 174.844 174.900 0.015 0.000 1.033 74 G CA 0.242 45.354 45.100 0.021 0.000 0.620 74 G HN 0.780 nan 8.290 nan 0.000 0.517 75 D N 1.149 121.551 120.400 0.003 0.000 2.443 75 D HA 0.377 5.017 4.640 -0.000 0.000 0.234 75 D C 1.024 177.298 176.300 -0.043 0.000 1.172 75 D CA 0.478 54.472 54.000 -0.010 0.000 0.878 75 D CB 0.351 41.138 40.800 -0.022 0.000 1.204 75 D HN 0.485 nan 8.370 nan 0.000 0.453 76 R N 0.250 120.718 120.500 -0.054 0.000 2.637 76 R HA 0.611 4.951 4.340 -0.000 0.000 0.291 76 R C -0.938 175.311 176.300 -0.085 0.000 0.963 76 R CA -0.876 55.169 56.100 -0.091 0.000 0.901 76 R CB 1.947 32.168 30.300 -0.132 0.000 1.160 76 R HN 0.061 nan 8.270 nan 0.000 0.457 77 V N 2.287 122.141 119.914 -0.100 0.000 2.409 77 V HA 0.457 4.577 4.120 -0.000 0.000 0.290 77 V C -0.205 175.845 176.094 -0.074 0.000 1.017 77 V CA -0.901 61.340 62.300 -0.098 0.000 0.841 77 V CB 1.619 33.360 31.823 -0.138 0.000 1.003 77 V HN 0.964 nan 8.190 nan 0.000 0.426 78 A N 6.473 129.266 122.820 -0.045 0.000 2.388 78 A HA 0.824 5.144 4.320 -0.000 0.000 0.257 78 A C -0.587 177.015 177.584 0.031 0.000 1.095 78 A CA -0.066 51.970 52.037 -0.002 0.000 0.791 78 A CB 0.280 19.270 19.000 -0.017 0.000 1.029 78 A HN 0.811 nan 8.150 nan 0.000 0.489 79 L N 2.722 124.020 121.223 0.125 0.000 2.439 79 L HA 0.336 4.676 4.340 -0.000 0.000 0.270 79 L C -0.947 176.092 176.870 0.282 0.000 0.972 79 L CA -0.739 54.241 54.840 0.234 0.000 0.836 79 L CB 1.762 44.053 42.059 0.386 0.000 1.255 79 L HN 0.560 nan 8.230 nan 0.000 0.404 80 I N 2.920 123.633 120.570 0.240 0.000 2.664 80 I HA 0.006 4.176 4.170 -0.000 0.000 0.284 80 I C 1.083 177.242 176.117 0.070 0.000 1.154 80 I CA 0.738 62.140 61.300 0.170 0.000 1.402 80 I CB 1.313 39.417 38.000 0.173 0.000 1.395 80 I HN 0.694 nan 8.210 nan 0.000 0.545 81 A N 7.236 129.984 122.820 -0.120 0.000 3.074 81 A HA 0.190 4.510 4.320 -0.000 0.000 0.251 81 A C 0.614 177.949 177.584 -0.415 0.000 1.695 81 A CA -0.424 51.220 52.037 -0.656 0.000 1.343 81 A CB -0.971 17.824 19.000 -0.341 0.000 1.078 81 A HN 0.725 nan 8.150 nan 0.000 0.644 82 E N 0.216 120.286 120.200 -0.216 0.000 2.392 82 E HA 0.167 4.517 4.350 -0.000 0.000 0.259 82 E C -0.282 176.334 176.600 0.026 0.000 1.108 82 E CA 0.033 56.415 56.400 -0.030 0.000 0.916 82 E CB 0.541 30.295 29.700 0.090 0.000 0.989 82 E HN 0.340 nan 8.360 nan 0.000 0.432 83 T N 2.497 117.037 114.554 -0.023 0.000 2.855 83 T HA 0.257 4.607 4.350 -0.000 0.000 0.290 83 T C -0.592 174.220 174.700 0.186 0.000 0.941 83 T CA -0.312 61.804 62.100 0.027 0.000 1.030 83 T CB -0.333 68.381 68.868 -0.257 0.000 0.935 83 T HN 0.494 nan 8.240 nan 0.000 0.564 84 S N 1.275 117.127 115.700 0.253 0.000 2.586 84 S HA 0.359 4.829 4.470 -0.000 0.000 0.277 84 S C 0.888 175.322 174.600 -0.276 0.000 1.131 84 S CA -0.916 57.129 58.200 -0.259 0.000 0.848 84 S CB 1.180 64.280 63.200 -0.166 0.000 1.091 84 S HN 0.202 nan 8.310 nan 0.000 0.453 85 S N 0.893 116.165 115.700 -0.715 0.000 2.368 85 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 85 S C 1.667 176.222 174.600 -0.075 0.000 1.044 85 S CA 2.175 60.217 58.200 -0.264 0.000 1.062 85 S CB -0.730 62.310 63.200 -0.266 0.000 0.931 85 S HN 0.807 nan 8.310 nan 0.000 0.440 86 E N -0.484 119.616 120.200 -0.166 0.000 2.086 86 E HA -0.254 4.096 4.350 -0.000 0.000 0.205 86 E C 1.808 178.387 176.600 -0.036 0.000 1.027 86 E CA 1.832 58.093 56.400 -0.231 0.000 0.830 86 E CB -0.311 28.947 29.700 -0.736 0.000 0.751 86 E HN 0.603 nan 8.360 nan 0.000 0.456 87 F N 1.017 120.907 119.950 -0.099 0.000 2.113 87 F HA -0.173 4.353 4.527 -0.000 0.000 0.297 87 F C 2.140 178.022 175.800 0.137 0.000 1.103 87 F CA 0.996 59.064 58.000 0.114 0.000 1.248 87 F CB -0.331 38.744 39.000 0.126 0.000 0.999 87 F HN -0.200 nan 8.300 nan 0.000 0.475 88 V N 0.790 120.715 119.914 0.018 0.000 2.287 88 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 88 V C 2.252 178.427 176.094 0.135 0.000 1.053 88 V CA 2.437 64.729 62.300 -0.015 0.000 1.027 88 V CB -0.901 31.040 31.823 0.197 0.000 0.646 88 V HN 0.370 nan 8.190 nan 0.000 0.447 89 E N 0.411 120.697 120.200 0.144 0.000 2.072 89 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 89 E C 2.316 179.044 176.600 0.213 0.000 0.985 89 E CA 1.301 57.816 56.400 0.192 0.000 0.801 89 E CB -0.415 29.388 29.700 0.172 0.000 0.750 89 E HN 0.595 nan 8.360 nan 0.000 0.452 90 A N 0.698 123.618 122.820 0.167 0.000 1.969 90 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 90 A C 1.949 179.485 177.584 -0.080 0.000 1.169 90 A CA 0.914 52.977 52.037 0.045 0.000 0.635 90 A CB -0.613 18.400 19.000 0.022 0.000 0.810 90 A HN 0.330 nan 8.150 nan 0.000 0.445 91 F N -0.732 119.012 119.950 -0.342 0.000 2.146 91 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 91 F C 1.731 177.334 175.800 -0.327 0.000 1.096 91 F CA 1.458 59.170 58.000 -0.480 0.000 1.275 91 F CB -0.231 38.251 39.000 -0.864 0.000 1.008 91 F HN 0.205 nan 8.300 nan 0.000 0.480 92 F N 0.067 120.110 119.950 0.154 0.000 2.367 92 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 92 F C 2.467 178.346 175.800 0.132 0.000 1.094 92 F CA 0.793 58.902 58.000 0.182 0.000 1.409 92 F CB -1.112 38.005 39.000 0.195 0.000 1.064 92 F HN 0.050 nan 8.300 nan 0.000 0.528 93 A N -0.508 122.444 122.820 0.220 0.000 1.892 93 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 93 A C 2.361 180.018 177.584 0.122 0.000 1.188 93 A CA 2.090 54.233 52.037 0.176 0.000 0.631 93 A CB -1.557 17.595 19.000 0.253 0.000 0.822 93 A HN 0.468 nan 8.150 nan 0.000 0.447 94 C N -1.031 118.251 119.300 -0.029 0.000 2.393 94 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 94 C C 3.015 177.977 174.990 -0.046 0.000 1.215 94 C CA 1.411 60.359 59.018 -0.117 0.000 1.743 94 C CB -1.196 26.345 27.740 -0.332 0.000 2.044 94 C HN 0.645 nan 8.230 nan 0.000 0.464 95 Q N -0.543 119.237 119.800 -0.033 0.000 2.030 95 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 95 Q C 1.892 177.977 176.000 0.141 0.000 0.986 95 Q CA 1.840 57.686 55.803 0.072 0.000 0.843 95 Q CB -0.893 27.926 28.738 0.135 0.000 0.904 95 Q HN 0.791 nan 8.270 nan 0.000 0.420 96 Y N 0.706 121.054 120.300 0.080 0.000 2.256 96 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 96 Y C 2.251 178.175 175.900 0.039 0.000 1.155 96 Y CA 1.143 59.284 58.100 0.068 0.000 1.203 96 Y CB -0.505 38.008 38.460 0.087 0.000 0.980 96 Y HN 0.153 nan 8.280 nan 0.000 0.530 97 A N -0.591 122.340 122.820 0.184 0.000 2.235 97 A HA 0.311 4.631 4.320 -0.000 0.000 0.208 97 A C 2.045 179.659 177.584 0.050 0.000 1.172 97 A CA 0.848 52.946 52.037 0.102 0.000 0.786 97 A CB -1.181 17.869 19.000 0.084 0.000 0.804 97 A HN 0.610 nan 8.150 nan 0.000 0.479 98 G N -1.091 107.733 108.800 0.040 0.000 2.179 98 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 98 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 98 G C 0.022 174.927 174.900 0.008 0.000 1.010 98 G CA 0.594 45.708 45.100 0.023 0.000 0.736 98 G HN 0.474 nan 8.290 nan 0.000 0.513 99 L N -0.414 120.801 121.223 -0.013 0.000 2.344 99 L HA 0.620 4.960 4.340 -0.000 0.000 0.272 99 L C 0.675 177.487 176.870 -0.097 0.000 1.035 99 L CA -1.321 53.489 54.840 -0.051 0.000 0.807 99 L CB 1.861 43.882 42.059 -0.064 0.000 1.237 99 L HN -0.101 nan 8.230 nan 0.000 0.442 100 V N 2.129 121.978 119.914 -0.108 0.000 2.368 100 V HA 0.309 4.429 4.120 -0.000 0.000 0.266 100 V C 0.608 176.598 176.094 -0.174 0.000 1.045 100 V CA -0.540 61.674 62.300 -0.144 0.000 0.899 100 V CB 1.007 32.745 31.823 -0.141 0.000 1.006 100 V HN 0.833 nan 8.190 nan 0.000 0.470 101 A N 5.277 127.948 122.820 -0.247 0.000 2.409 101 A HA 0.584 4.904 4.320 -0.000 0.000 0.262 101 A C -0.197 177.345 177.584 -0.069 0.000 1.113 101 A CA -0.184 51.681 52.037 -0.287 0.000 0.790 101 A CB 0.530 19.060 19.000 -0.784 0.000 1.046 101 A HN 0.691 nan 8.150 nan 0.000 0.496 102 V N 6.334 126.249 119.914 0.002 0.000 2.327 102 V HA 0.257 4.377 4.120 -0.000 0.000 0.272 102 V C -2.436 173.766 176.094 0.181 0.000 1.019 102 V CA -1.378 60.990 62.300 0.113 0.000 0.814 102 V CB 1.186 33.056 31.823 0.077 0.000 1.040 102 V HN 0.767 nan 8.190 nan 0.000 0.440 103 P HA 0.373 nan 4.420 nan 0.000 0.271 103 P C -0.729 176.711 177.300 0.232 0.000 1.216 103 P CA 0.057 63.358 63.100 0.335 0.000 0.776 103 P CB 0.852 32.783 31.700 0.386 0.000 0.881 104 L N 1.201 122.535 121.223 0.185 0.000 2.388 104 L HA 0.673 5.013 4.340 -0.000 0.000 0.264 104 L C 0.232 177.174 176.870 0.120 0.000 0.998 104 L CA -1.452 53.464 54.840 0.127 0.000 0.817 104 L CB 2.098 44.198 42.059 0.069 0.000 1.338 104 L HN 0.307 nan 8.230 nan 0.000 0.414 105 A N 2.274 125.132 122.820 0.063 0.000 2.445 105 A HA 0.431 4.751 4.320 -0.000 0.000 0.242 105 A C -0.007 177.484 177.584 -0.155 0.000 1.075 105 A CA -0.196 51.721 52.037 -0.201 0.000 0.777 105 A CB -0.142 18.606 19.000 -0.420 0.000 1.013 105 A HN 0.576 nan 8.150 nan 0.000 0.493 106 I N 2.847 123.162 120.570 -0.424 0.000 2.752 106 I HA 0.084 4.254 4.170 -0.000 0.000 0.287 106 I C -1.612 173.957 176.117 -0.912 0.000 1.188 106 I CA -1.171 59.719 61.300 -0.684 0.000 1.427 106 I CB 0.043 37.782 38.000 -0.436 0.000 1.365 106 I HN 0.496 nan 8.210 nan 0.000 0.585 116 W N 3.024 124.285 121.300 -0.065 0.000 2.353 116 W HA 0.024 4.684 4.660 -0.000 0.000 0.319 116 W C 2.139 178.609 176.519 -0.081 0.000 1.207 116 W CA 2.530 59.817 57.345 -0.096 0.000 1.291 116 W CB -0.622 28.756 29.460 -0.136 0.000 1.159 116 W HN 0.354 nan 8.180 nan 0.000 0.478 117 S N 0.486 116.319 115.700 0.221 0.000 2.419 117 S HA -0.217 4.253 4.470 -0.000 0.000 0.235 117 S C 1.862 176.411 174.600 -0.086 0.000 1.019 117 S CA 1.223 59.455 58.200 0.054 0.000 0.982 117 S CB -0.922 62.377 63.200 0.165 0.000 0.789 117 S HN 0.435 nan 8.310 nan 0.000 0.490 118 A N 2.205 124.990 122.820 -0.058 0.000 1.835 118 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 118 A C 2.037 179.526 177.584 -0.158 0.000 1.199 118 A CA 1.514 53.506 52.037 -0.076 0.000 0.615 118 A CB -0.569 18.410 19.000 -0.035 0.000 0.838 118 A HN 0.446 nan 8.150 nan 0.000 0.444 119 K N -0.768 119.500 120.400 -0.219 0.000 2.160 119 K HA -0.156 4.163 4.320 -0.000 0.000 0.206 119 K C 1.776 178.137 176.600 -0.400 0.000 1.047 119 K CA 1.373 57.485 56.287 -0.293 0.000 0.930 119 K CB -0.386 31.913 32.500 -0.335 0.000 0.720 119 K HN 0.362 nan 8.250 nan 0.000 0.450 120 L N 1.447 122.350 121.223 -0.534 0.000 2.191 120 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 120 L C 2.037 178.718 176.870 -0.315 0.000 1.103 120 L CA 1.680 56.191 54.840 -0.547 0.000 0.769 120 L CB -0.217 41.442 42.059 -0.667 0.000 0.908 120 L HN 0.142 nan 8.230 nan 0.000 0.438 121 Q N -1.274 118.392 119.800 -0.223 0.000 2.062 121 Q HA -0.015 4.325 4.340 -0.000 0.000 0.196 121 Q C 2.131 178.047 176.000 -0.139 0.000 0.967 121 Q CA 1.271 56.989 55.803 -0.141 0.000 0.832 121 Q CB -0.505 28.182 28.738 -0.085 0.000 0.899 121 Q HN 0.588 nan 8.270 nan 0.000 0.442 122 G N 0.886 109.598 108.800 -0.147 0.000 2.442 122 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 122 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 122 G C 1.279 176.061 174.900 -0.196 0.000 1.141 122 G CA 0.476 45.496 45.100 -0.132 0.000 0.763 122 G HN 0.177 nan 8.290 nan 0.000 0.554 123 L N -0.181 120.864 121.223 -0.296 0.000 1.976 123 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 123 L C 2.948 179.602 176.870 -0.359 0.000 1.071 123 L CA 1.273 55.838 54.840 -0.458 0.000 0.746 123 L CB -1.125 40.637 42.059 -0.494 0.000 0.890 123 L HN 0.118 nan 8.230 nan 0.000 0.432 124 L N -0.022 121.053 121.223 -0.247 0.000 1.989 124 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 124 L C 2.780 179.599 176.870 -0.085 0.000 1.071 124 L CA 2.079 56.829 54.840 -0.150 0.000 0.749 124 L CB -1.472 40.519 42.059 -0.113 0.000 0.890 124 L HN 0.288 nan 8.230 nan 0.000 0.431 125 A N -1.711 121.065 122.820 -0.072 0.000 1.915 125 A HA -0.334 3.986 4.320 -0.000 0.000 0.220 125 A C 2.632 180.227 177.584 0.017 0.000 1.198 125 A CA 2.624 54.648 52.037 -0.022 0.000 0.647 125 A CB -1.104 17.883 19.000 -0.021 0.000 0.825 125 A HN 0.466 nan 8.150 nan 0.000 0.456 126 S N -1.167 114.535 115.700 0.003 0.000 2.345 126 S HA -0.158 4.312 4.470 -0.000 0.000 0.219 126 S C 2.115 176.865 174.600 0.251 0.000 1.031 126 S CA 1.667 59.939 58.200 0.120 0.000 0.984 126 S CB -0.792 62.485 63.200 0.128 0.000 0.874 126 S HN 1.086 nan 8.310 nan 0.000 0.451 127 C N 1.199 120.566 119.300 0.112 0.000 2.594 127 C HA 0.413 4.873 4.460 -0.000 0.000 0.265 127 C C 0.887 175.923 174.990 0.076 0.000 1.351 127 C CA -0.182 58.889 59.018 0.088 0.000 1.744 127 C CB -1.828 25.894 27.740 -0.030 0.000 1.890 127 C HN 0.669 nan 8.230 nan 0.000 0.551 128 Q N 1.194 121.033 119.800 0.064 0.000 2.439 128 Q HA -0.137 4.203 4.340 -0.000 0.000 0.361 128 Q C -2.154 173.863 176.000 0.027 0.000 1.408 128 Q CA 0.481 56.319 55.803 0.058 0.000 1.052 128 Q CB -1.213 27.591 28.738 0.110 0.000 1.233 128 Q HN 0.641 nan 8.270 nan 0.000 0.347 129 P HA 0.167 nan 4.420 nan 0.000 0.279 129 P C -0.057 177.240 177.300 -0.006 0.000 1.252 129 P CA 0.009 63.094 63.100 -0.025 0.000 0.811 129 P CB 1.378 33.053 31.700 -0.042 0.000 1.035 130 A N 1.217 124.022 122.820 -0.025 0.000 2.095 130 A HA 0.492 4.812 4.320 -0.000 0.000 0.212 130 A C 1.018 178.588 177.584 -0.024 0.000 1.162 130 A CA 1.145 53.164 52.037 -0.029 0.000 0.753 130 A CB -0.375 18.573 19.000 -0.086 0.000 0.840 130 A HN 0.741 nan 8.150 nan 0.000 0.468 131 A N -1.126 121.675 122.820 -0.031 0.000 2.583 131 A HA 0.754 5.074 4.320 -0.000 0.000 0.289 131 A C -1.201 176.382 177.584 -0.002 0.000 1.151 131 A CA -0.293 51.748 52.037 0.006 0.000 0.695 131 A CB 0.886 19.857 19.000 -0.050 0.000 1.290 131 A HN 0.861 nan 8.150 nan 0.000 0.419 132 I N 0.378 120.959 120.570 0.019 0.000 2.627 132 I HA 0.557 4.727 4.170 -0.000 0.000 0.288 132 I C -1.900 174.205 176.117 -0.020 0.000 1.202 132 I CA -0.719 60.581 61.300 0.001 0.000 1.050 132 I CB 1.192 39.211 38.000 0.030 0.000 1.264 132 I HN 0.558 nan 8.210 nan 0.000 0.429 133 I N 6.699 127.210 120.570 -0.099 0.000 2.339 133 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 133 I C -0.034 175.981 176.117 -0.171 0.000 0.994 133 I CA -0.374 60.783 61.300 -0.239 0.000 1.191 133 I CB 1.701 39.393 38.000 -0.513 0.000 1.343 133 I HN 0.544 nan 8.210 nan 0.000 0.458 134 T N 3.790 118.278 114.554 -0.111 0.000 2.906 134 T HA 0.613 4.963 4.350 -0.000 0.000 0.295 134 T C 0.140 174.968 174.700 0.213 0.000 1.075 134 T CA -0.441 61.731 62.100 0.121 0.000 1.005 134 T CB 1.708 70.685 68.868 0.181 0.000 1.136 134 T HN 0.750 nan 8.240 nan 0.000 0.498 135 G N 1.617 110.645 108.800 0.380 0.000 2.664 135 G HA2 0.173 4.133 3.960 -0.000 0.000 0.242 135 G HA3 0.173 4.133 3.960 -0.000 0.000 0.242 135 G C 0.654 175.553 174.900 -0.001 0.000 1.225 135 G CA -0.246 44.989 45.100 0.226 0.000 0.849 135 G HN 0.811 nan 8.290 nan 0.000 0.581 136 D N -0.507 119.822 120.400 -0.118 0.000 2.123 136 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 136 D C 2.114 178.243 176.300 -0.285 0.000 0.992 136 D CA 1.358 55.230 54.000 -0.213 0.000 0.833 136 D CB -0.126 40.553 40.800 -0.203 0.000 0.954 136 D HN 0.752 nan 8.370 nan 0.000 0.455 137 E N -0.534 119.388 120.200 -0.463 0.000 2.086 137 E HA -0.201 4.149 4.350 -0.000 0.000 0.200 137 E C 1.343 177.526 176.600 -0.696 0.000 1.012 137 E CA 1.335 57.275 56.400 -0.767 0.000 0.812 137 E CB -0.175 28.739 29.700 -1.310 0.000 0.743 137 E HN 0.440 nan 8.360 nan 0.000 0.453 138 W N -0.063 121.169 121.300 -0.112 0.000 3.353 138 W HA 0.164 4.824 4.660 -0.000 0.000 0.304 138 W C 1.543 178.017 176.519 -0.076 0.000 1.273 138 W CA -0.980 56.287 57.345 -0.130 0.000 1.773 138 W CB 0.089 29.448 29.460 -0.169 0.000 1.095 138 W HN 0.163 nan 8.180 nan 0.000 0.676 139 L N 2.305 123.541 121.223 0.021 0.000 2.017 139 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 139 L C -0.490 176.395 176.870 0.025 0.000 1.073 139 L CA 2.158 56.992 54.840 -0.010 0.000 0.745 139 L CB -1.690 40.279 42.059 -0.149 0.000 0.894 139 L HN -0.228 nan 8.230 nan 0.000 0.432 140 P HA -0.192 nan 4.420 nan 0.000 0.214 140 P C 2.241 179.574 177.300 0.055 0.000 1.163 140 P CA 1.394 64.509 63.100 0.025 0.000 0.883 140 P CB -0.095 31.608 31.700 0.005 0.000 0.788 141 L N -0.617 120.661 121.223 0.093 0.000 2.021 141 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 141 L C 2.185 179.162 176.870 0.179 0.000 1.074 141 L CA 1.796 56.721 54.840 0.143 0.000 0.760 141 L CB -0.724 41.440 42.059 0.175 0.000 0.889 141 L HN -0.146 nan 8.230 nan 0.000 0.433 142 V N 0.096 120.128 119.914 0.196 0.000 2.261 142 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 142 V C 2.273 178.411 176.094 0.072 0.000 1.047 142 V CA 2.073 64.487 62.300 0.190 0.000 1.015 142 V CB -0.842 31.092 31.823 0.186 0.000 0.642 142 V HN 0.527 nan 8.190 nan 0.000 0.446 143 N N 0.379 119.099 118.700 0.034 0.000 2.091 143 N HA -0.223 4.517 4.740 -0.000 0.000 0.193 143 N C 1.811 177.167 175.510 -0.256 0.000 1.021 143 N CA 1.931 54.951 53.050 -0.050 0.000 0.862 143 N CB -0.446 38.034 38.487 -0.012 0.000 1.018 143 N HN 0.541 nan 8.380 nan 0.000 0.429 144 A N 0.730 123.412 122.820 -0.229 0.000 1.872 144 A HA 0.123 4.443 4.320 -0.000 0.000 0.214 144 A C 2.247 179.721 177.584 -0.182 0.000 1.187 144 A CA 1.742 53.557 52.037 -0.369 0.000 0.614 144 A CB -0.802 18.164 19.000 -0.056 0.000 0.826 144 A HN 0.307 nan 8.150 nan 0.000 0.442 145 A N -1.415 121.389 122.820 -0.026 0.000 2.216 145 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 145 A C 2.066 179.646 177.584 -0.007 0.000 1.160 145 A CA 1.902 53.948 52.037 0.015 0.000 0.725 145 A CB -0.757 18.263 19.000 0.033 0.000 0.784 145 A HN 0.427 nan 8.150 nan 0.000 0.472 146 T N -1.700 112.830 114.554 -0.041 0.000 2.866 146 T HA 0.067 4.417 4.350 -0.000 0.000 0.250 146 T C 1.343 176.067 174.700 0.040 0.000 1.033 146 T CA 0.998 63.091 62.100 -0.011 0.000 1.145 146 T CB -0.346 68.515 68.868 -0.012 0.000 0.866 146 T HN 0.710 nan 8.240 nan 0.000 0.434 147 H N 1.011 120.106 119.070 0.042 0.000 1.457 147 H HA -0.241 4.315 4.556 -0.000 0.000 0.091 147 H C 0.811 176.154 175.328 0.026 0.000 1.209 147 H CA 2.150 58.218 56.048 0.034 0.000 1.899 147 H CB -0.614 29.166 29.762 0.030 0.000 2.255 147 H HN 0.310 nan 8.280 nan 0.000 0.960 148 D N 0.948 121.449 120.400 0.168 0.000 2.395 148 D HA 0.044 4.684 4.640 -0.000 0.000 0.250 148 D C -0.250 176.087 176.300 0.062 0.000 1.203 148 D CA 0.196 54.250 54.000 0.089 0.000 0.872 148 D CB -0.029 40.807 40.800 0.061 0.000 0.941 148 D HN 0.279 nan 8.370 nan 0.000 0.504 149 N N 0.578 119.316 118.700 0.063 0.000 3.112 149 N HA 0.112 4.852 4.740 -0.000 0.000 0.270 149 N C -1.978 173.561 175.510 0.048 0.000 1.385 149 N CA -1.142 51.937 53.050 0.048 0.000 0.986 149 N CB 1.492 40.002 38.487 0.039 0.000 1.261 149 N HN 0.067 nan 8.380 nan 0.000 0.495 150 P HA 0.019 nan 4.420 nan 0.000 0.224 150 P C 0.708 178.023 177.300 0.024 0.000 1.157 150 P CA 0.822 63.937 63.100 0.025 0.000 0.799 150 P CB 0.500 32.212 31.700 0.020 0.000 0.809 151 E N -0.707 119.521 120.200 0.047 0.000 2.516 151 E HA -0.029 4.321 4.350 -0.000 0.000 0.199 151 E C 0.198 176.881 176.600 0.139 0.000 1.069 151 E CA 0.049 56.497 56.400 0.080 0.000 0.876 151 E CB -0.200 29.541 29.700 0.069 0.000 0.843 151 E HN 0.167 nan 8.360 nan 0.000 0.530 152 L N 1.953 123.242 121.223 0.110 0.000 2.255 152 L HA 0.166 4.506 4.340 -0.000 0.000 0.289 152 L C -0.828 176.145 176.870 0.171 0.000 1.046 152 L CA -0.692 54.231 54.840 0.139 0.000 0.816 152 L CB 0.221 42.327 42.059 0.080 0.000 1.197 152 L HN -0.101 nan 8.230 nan 0.000 0.427 153 H N 3.492 122.584 119.070 0.038 0.000 2.848 153 H HA 0.351 4.907 4.556 -0.000 0.000 0.317 153 H C -0.400 174.974 175.328 0.076 0.000 1.046 153 H CA -0.144 55.937 56.048 0.056 0.000 1.470 153 H CB 0.669 30.464 29.762 0.056 0.000 1.483 153 H HN 0.375 nan 8.280 nan 0.000 0.548 154 V N 5.978 126.012 119.914 0.200 0.000 2.435 154 V HA 0.339 4.459 4.120 -0.000 0.000 0.290 154 V C -0.033 176.261 176.094 0.333 0.000 1.030 154 V CA -0.681 61.748 62.300 0.215 0.000 0.881 154 V CB 1.335 33.275 31.823 0.195 0.000 0.983 154 V HN 0.536 nan 8.190 nan 0.000 0.445 155 L N 4.107 125.487 121.223 0.261 0.000 2.436 155 L HA 0.539 4.879 4.340 -0.000 0.000 0.268 155 L C 0.273 177.182 176.870 0.066 0.000 0.974 155 L CA -0.344 54.692 54.840 0.327 0.000 0.826 155 L CB 2.554 44.769 42.059 0.259 0.000 1.291 155 L HN 0.772 nan 8.230 nan 0.000 0.406 156 S N 0.194 115.811 115.700 -0.138 0.000 2.603 156 S HA 0.201 4.671 4.470 -0.000 0.000 0.268 156 S C 1.043 175.613 174.600 -0.050 0.000 1.317 156 S CA -0.481 57.541 58.200 -0.297 0.000 1.012 156 S CB 0.713 63.460 63.200 -0.756 0.000 0.926 156 S HN 0.632 nan 8.310 nan 0.000 0.539 157 H N 1.553 120.640 119.070 0.029 0.000 2.489 157 H HA -0.100 4.456 4.556 -0.000 0.000 0.295 157 H C 2.248 177.677 175.328 0.168 0.000 1.082 157 H CA 1.692 57.842 56.048 0.170 0.000 1.295 157 H CB -0.436 29.403 29.762 0.129 0.000 1.380 157 H HN 0.812 nan 8.280 nan 0.000 0.548 158 A N 0.798 123.694 122.820 0.127 0.000 1.854 158 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 158 A C 2.038 179.755 177.584 0.221 0.000 1.192 158 A CA 0.852 52.948 52.037 0.099 0.000 0.611 158 A CB -0.770 18.223 19.000 -0.012 0.000 0.832 158 A HN 0.327 nan 8.150 nan 0.000 0.442 159 W N -0.774 120.593 121.300 0.112 0.000 2.342 159 W HA -0.139 4.521 4.660 -0.000 0.000 0.297 159 W C 2.062 178.660 176.519 0.131 0.000 1.213 159 W CA 0.621 58.024 57.345 0.097 0.000 1.251 159 W CB -1.583 27.933 29.460 0.092 0.000 1.136 159 W HN 0.472 nan 8.180 nan 0.000 0.526 160 F N 1.871 121.963 119.950 0.237 0.000 2.102 160 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 160 F C 2.051 177.924 175.800 0.121 0.000 1.105 160 F CA 1.930 60.015 58.000 0.142 0.000 1.239 160 F CB -0.643 38.398 39.000 0.069 0.000 0.991 160 F HN -0.224 nan 8.300 nan 0.000 0.474 161 K N -0.028 120.291 120.400 -0.136 0.000 2.362 161 K HA -0.012 4.308 4.320 -0.000 0.000 0.200 161 K C 2.102 178.630 176.600 -0.120 0.000 1.046 161 K CA 0.732 56.878 56.287 -0.235 0.000 0.952 161 K CB -0.300 32.172 32.500 -0.046 0.000 0.753 161 K HN 0.390 nan 8.250 nan 0.000 0.466 162 A N 0.696 123.513 122.820 -0.006 0.000 1.935 162 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 162 A C 0.510 178.089 177.584 -0.008 0.000 1.178 162 A CA 0.137 52.189 52.037 0.026 0.000 0.640 162 A CB -0.093 18.972 19.000 0.108 0.000 0.825 162 A HN 0.072 nan 8.150 nan 0.000 0.447 163 L N 0.601 121.821 121.223 -0.005 0.000 2.581 163 L HA 0.073 4.413 4.340 -0.000 0.000 0.299 163 L C -2.284 174.568 176.870 -0.031 0.000 1.261 163 L CA -0.772 54.068 54.840 0.000 0.000 0.866 163 L CB -0.561 41.519 42.059 0.035 0.000 1.113 163 L HN 0.121 nan 8.230 nan 0.000 0.514 164 P HA 0.180 nan 4.420 nan 0.000 0.280 164 P C -1.025 176.269 177.300 -0.009 0.000 1.244 164 P CA -0.577 62.516 63.100 -0.012 0.000 0.784 164 P CB 0.466 32.165 31.700 -0.001 0.000 0.913 165 E N 1.691 121.881 120.200 -0.016 0.000 2.292 165 E HA 0.275 4.625 4.350 -0.000 0.000 0.265 165 E C 0.246 176.850 176.600 0.007 0.000 1.093 165 E CA -0.381 56.015 56.400 -0.007 0.000 0.922 165 E CB 0.268 29.960 29.700 -0.012 0.000 1.001 165 E HN 0.447 nan 8.360 nan 0.000 0.444 166 A N 3.782 126.612 122.820 0.018 0.000 2.565 166 A HA -0.092 4.228 4.320 -0.000 0.000 0.237 166 A C 0.282 177.877 177.584 0.018 0.000 1.053 166 A CA -0.187 51.863 52.037 0.021 0.000 0.755 166 A CB 0.145 19.162 19.000 0.028 0.000 0.980 166 A HN 0.640 nan 8.150 nan 0.000 0.506 167 D N 1.450 121.859 120.400 0.016 0.000 2.441 167 D HA 0.328 4.968 4.640 -0.000 0.000 0.243 167 D C -0.108 176.202 176.300 0.017 0.000 1.257 167 D CA 0.785 54.794 54.000 0.014 0.000 1.027 167 D CB -0.441 40.366 40.800 0.011 0.000 1.084 167 D HN 0.708 nan 8.370 nan 0.000 0.514 168 V N -0.064 119.863 119.914 0.021 0.000 3.242 168 V HA 0.879 4.999 4.120 -0.000 0.000 0.298 168 V C -0.828 175.282 176.094 0.028 0.000 1.352 168 V CA -1.167 61.147 62.300 0.023 0.000 1.052 168 V CB 1.275 33.113 31.823 0.026 0.000 1.101 168 V HN 0.370 nan 8.190 nan 0.000 0.446 169 A N 3.119 125.955 122.820 0.027 0.000 2.292 169 A HA 0.798 5.118 4.320 -0.000 0.000 0.319 169 A C -0.376 177.231 177.584 0.038 0.000 1.206 169 A CA -0.724 51.332 52.037 0.032 0.000 0.835 169 A CB 0.677 19.692 19.000 0.025 0.000 1.164 169 A HN 0.960 nan 8.150 nan 0.000 0.505 170 L N 2.230 123.486 121.223 0.055 0.000 2.490 170 L HA 0.104 4.443 4.340 -0.000 0.000 0.274 170 L C 0.725 177.615 176.870 0.033 0.000 1.201 170 L CA 0.796 55.674 54.840 0.063 0.000 0.869 170 L CB -0.344 41.785 42.059 0.115 0.000 1.123 170 L HN 0.865 nan 8.230 nan 0.000 0.484 171 Q N 3.363 123.175 119.800 0.018 0.000 2.243 171 Q HA 0.444 4.784 4.340 -0.000 0.000 0.252 171 Q C -0.388 175.592 176.000 -0.032 0.000 0.909 171 Q CA -0.827 54.974 55.803 -0.004 0.000 0.922 171 Q CB 1.084 29.821 28.738 -0.003 0.000 1.215 171 Q HN 0.244 nan 8.270 nan 0.000 0.427 172 R N 2.485 122.955 120.500 -0.050 0.000 2.570 172 R HA 0.190 4.530 4.340 -0.000 0.000 0.277 172 R C -2.204 174.031 176.300 -0.109 0.000 1.039 172 R CA -1.467 54.576 56.100 -0.094 0.000 1.065 172 R CB -0.445 29.807 30.300 -0.079 0.000 0.964 172 R HN 0.574 nan 8.270 nan 0.000 0.428 173 P HA 0.088 nan 4.420 nan 0.000 0.275 173 P C -0.429 176.752 177.300 -0.198 0.000 1.228 173 P CA -0.458 62.525 63.100 -0.196 0.000 0.786 173 P CB 0.795 32.279 31.700 -0.360 0.000 0.927 174 V N 0.257 120.097 119.914 -0.125 0.000 2.850 174 V HA 0.431 4.551 4.120 -0.000 0.000 0.315 174 V C -1.938 174.121 176.094 -0.059 0.000 1.064 174 V CA -2.303 59.946 62.300 -0.086 0.000 0.979 174 V CB 1.121 32.918 31.823 -0.044 0.000 1.039 174 V HN 0.284 nan 8.190 nan 0.000 0.452 175 P HA -0.093 nan 4.420 nan 0.000 0.217 175 P C 0.984 178.321 177.300 0.063 0.000 1.148 175 P CA 1.457 64.575 63.100 0.030 0.000 0.828 175 P CB 0.027 31.735 31.700 0.013 0.000 0.783 176 N N -1.025 117.693 118.700 0.029 0.000 2.461 176 N HA -0.026 4.714 4.740 -0.000 0.000 0.188 176 N C 0.041 175.573 175.510 0.036 0.000 1.134 176 N CA 0.647 53.710 53.050 0.021 0.000 0.878 176 N CB -0.558 37.930 38.487 0.001 0.000 0.972 176 N HN 0.180 nan 8.380 nan 0.000 0.456 177 D N 0.542 120.989 120.400 0.079 0.000 2.382 177 D HA 0.120 4.760 4.640 -0.000 0.000 0.245 177 D C 0.683 177.034 176.300 0.084 0.000 1.120 177 D CA -0.033 54.024 54.000 0.096 0.000 0.890 177 D CB 1.338 42.214 40.800 0.126 0.000 1.201 177 D HN 0.042 nan 8.370 nan 0.000 0.433 178 I N 1.822 122.393 120.570 0.001 0.000 2.471 178 I HA 0.070 4.240 4.170 -0.000 0.000 0.286 178 I C 1.304 177.305 176.117 -0.194 0.000 1.079 178 I CA -0.196 61.040 61.300 -0.108 0.000 1.398 178 I CB 1.325 39.279 38.000 -0.077 0.000 1.403 178 I HN 0.409 nan 8.210 nan 0.000 0.530 179 A N 7.126 129.701 122.820 -0.408 0.000 1.911 179 A HA 0.123 4.443 4.320 -0.000 0.000 0.212 179 A C 0.340 177.804 177.584 -0.200 0.000 1.189 179 A CA 0.963 52.717 52.037 -0.471 0.000 0.639 179 A CB 0.140 18.701 19.000 -0.732 0.000 0.839 179 A HN 0.783 nan 8.150 nan 0.000 0.449 180 Y N -3.673 116.493 120.300 -0.224 0.000 2.677 180 Y HA 0.678 5.228 4.550 -0.000 0.000 0.334 180 Y C -1.422 174.395 175.900 -0.137 0.000 1.196 180 Y CA -1.742 56.254 58.100 -0.172 0.000 1.059 180 Y CB 0.597 39.013 38.460 -0.074 0.000 1.315 180 Y HN -0.047 nan 8.280 nan 0.000 0.455 181 L N 2.598 123.866 121.223 0.074 0.000 2.322 181 L HA 0.526 4.866 4.340 -0.000 0.000 0.281 181 L C -0.814 176.134 176.870 0.131 0.000 1.014 181 L CA -0.965 53.841 54.840 -0.057 0.000 0.815 181 L CB 1.876 43.802 42.059 -0.222 0.000 1.247 181 L HN 0.673 nan 8.230 nan 0.000 0.421 182 Q N 1.710 121.542 119.800 0.053 0.000 2.400 182 Q HA 0.212 4.552 4.340 -0.000 0.000 0.255 182 Q C -0.773 175.206 176.000 -0.036 0.000 1.008 182 Q CA 0.022 55.904 55.803 0.132 0.000 0.841 182 Q CB 0.703 29.581 28.738 0.235 0.000 1.220 182 Q HN 0.444 nan 8.270 nan 0.000 0.474 183 Y N 1.431 121.793 120.300 0.103 0.000 2.470 183 Y HA 0.039 4.589 4.550 -0.000 0.000 0.284 183 Y C 1.774 177.696 175.900 0.035 0.000 1.188 183 Y CA 0.691 58.818 58.100 0.045 0.000 1.269 183 Y CB 0.569 39.029 38.460 -0.000 0.000 1.094 183 Y HN 0.737 nan 8.280 nan 0.000 0.518 184 T N -5.113 109.543 114.554 0.170 0.000 3.035 184 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 184 T C 1.809 176.555 174.700 0.076 0.000 1.109 184 T CA 1.137 63.320 62.100 0.138 0.000 1.119 184 T CB -0.210 68.748 68.868 0.150 0.000 0.900 184 T HN 0.112 nan 8.240 nan 0.000 0.503 185 S N 0.976 116.710 115.700 0.056 0.000 2.607 185 S HA 0.312 4.782 4.470 -0.000 0.000 0.224 185 S C 1.442 176.000 174.600 -0.070 0.000 0.969 185 S CA 0.130 58.343 58.200 0.022 0.000 0.927 185 S CB -0.406 62.844 63.200 0.085 0.000 0.772 185 S HN 0.836 nan 8.310 nan 0.000 0.533 186 G N 1.184 109.941 108.800 -0.071 0.000 2.509 186 G HA2 0.418 4.378 3.960 -0.000 0.000 0.269 186 G HA3 0.418 4.378 3.960 -0.000 0.000 0.269 186 G C 0.779 175.647 174.900 -0.053 0.000 1.416 186 G CA 0.297 45.306 45.100 -0.150 0.000 1.052 186 G HN 0.401 nan 8.290 nan 0.000 0.542 187 S N -4.402 111.275 115.700 -0.038 0.000 3.448 187 S HA 0.292 4.762 4.470 -0.000 0.000 0.254 187 S C 1.067 175.672 174.600 0.009 0.000 1.102 187 S CA 1.410 59.624 58.200 0.023 0.000 0.797 187 S CB 0.934 64.187 63.200 0.088 0.000 0.891 187 S HN 1.196 nan 8.310 nan 0.000 0.474 188 T N -0.592 113.962 114.554 -0.000 0.000 4.099 188 T HA 0.086 4.436 4.350 -0.000 0.000 0.323 188 T C 0.587 175.281 174.700 -0.010 0.000 1.346 188 T CA 0.420 62.506 62.100 -0.023 0.000 1.799 188 T CB -0.675 68.184 68.868 -0.015 0.000 0.926 188 T HN 0.199 nan 8.240 nan 0.000 0.642 189 R N 0.151 120.674 120.500 0.040 0.000 2.334 189 R HA 0.546 4.886 4.340 -0.000 0.000 0.212 189 R C -0.329 176.064 176.300 0.154 0.000 0.897 189 R CA 0.083 56.221 56.100 0.063 0.000 1.056 189 R CB 0.135 30.466 30.300 0.051 0.000 1.046 189 R HN 0.403 nan 8.270 nan 0.000 0.513 190 F N 1.600 121.534 119.950 -0.027 0.000 2.646 190 F HA 0.494 5.021 4.527 -0.000 0.000 0.336 190 F C -2.763 173.022 175.800 -0.025 0.000 1.437 190 F CA -3.154 54.829 58.000 -0.028 0.000 1.142 190 F CB 1.015 39.994 39.000 -0.035 0.000 1.530 190 F HN -0.166 nan 8.300 nan 0.000 0.591 191 P HA 0.471 nan 4.420 nan 0.000 0.284 191 P C -1.101 176.009 177.300 -0.317 0.000 1.258 191 P CA -0.367 62.593 63.100 -0.233 0.000 0.824 191 P CB 1.331 32.976 31.700 -0.093 0.000 1.038 192 R N 0.520 120.875 120.500 -0.242 0.000 2.628 192 R HA 0.642 4.982 4.340 -0.000 0.000 0.288 192 R C -0.307 175.870 176.300 -0.204 0.000 0.980 192 R CA -0.738 55.166 56.100 -0.327 0.000 0.891 192 R CB 2.320 32.087 30.300 -0.888 0.000 1.188 192 R HN 0.625 nan 8.270 nan 0.000 0.450 193 G N 1.956 110.543 108.800 -0.356 0.000 2.415 193 G HA2 0.352 4.312 3.960 -0.000 0.000 0.317 193 G HA3 0.352 4.312 3.960 -0.000 0.000 0.317 193 G C -0.220 174.565 174.900 -0.192 0.000 1.152 193 G CA -0.361 44.167 45.100 -0.953 0.000 0.956 193 G HN 0.328 nan 8.290 nan 0.000 0.458 194 V N 4.471 124.323 119.914 -0.104 0.000 2.485 194 V HA 0.053 4.173 4.120 -0.000 0.000 0.287 194 V C 0.765 176.766 176.094 -0.156 0.000 1.022 194 V CA -0.017 62.238 62.300 -0.075 0.000 1.067 194 V CB 0.352 32.150 31.823 -0.041 0.000 0.967 194 V HN 0.539 nan 8.190 nan 0.000 0.479 195 I N 6.372 126.858 120.570 -0.140 0.000 2.471 195 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 195 I C -0.166 175.802 176.117 -0.249 0.000 1.079 195 I CA 0.228 61.439 61.300 -0.148 0.000 1.398 195 I CB 0.541 38.523 38.000 -0.029 0.000 1.403 195 I HN 0.371 nan 8.210 nan 0.000 0.530 196 I N 5.855 126.182 120.570 -0.406 0.000 2.468 196 I HA 0.191 4.361 4.170 -0.000 0.000 0.285 196 I C 0.345 176.186 176.117 -0.460 0.000 1.039 196 I CA -0.375 60.623 61.300 -0.503 0.000 1.074 196 I CB 1.807 39.256 38.000 -0.918 0.000 1.228 196 I HN 0.540 nan 8.210 nan 0.000 0.436 197 T N 2.087 116.481 114.554 -0.268 0.000 2.922 197 T HA 0.325 4.675 4.350 -0.000 0.000 0.285 197 T C 1.433 176.041 174.700 -0.154 0.000 1.005 197 T CA -0.222 61.765 62.100 -0.189 0.000 1.061 197 T CB 1.155 69.978 68.868 -0.075 0.000 1.007 197 T HN 0.485 nan 8.240 nan 0.000 0.502 198 H N 1.106 120.144 119.070 -0.053 0.000 2.357 198 H HA -0.129 4.426 4.556 -0.000 0.000 0.296 198 H C 2.419 177.748 175.328 0.002 0.000 1.108 198 H CA 2.090 58.135 56.048 -0.005 0.000 1.273 198 H CB -0.014 29.748 29.762 0.001 0.000 1.367 198 H HN 0.629 nan 8.280 nan 0.000 0.498 199 R N 1.105 121.671 120.500 0.109 0.000 2.096 199 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 199 R C 2.055 178.373 176.300 0.031 0.000 1.139 199 R CA 1.899 58.030 56.100 0.052 0.000 0.952 199 R CB 0.016 30.326 30.300 0.016 0.000 0.854 199 R HN 0.496 nan 8.270 nan 0.000 0.436 200 E N -0.265 119.934 120.200 -0.001 0.000 2.047 200 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 200 E C 1.183 177.797 176.600 0.023 0.000 0.987 200 E CA 0.739 57.133 56.400 -0.010 0.000 0.799 200 E CB -0.113 29.551 29.700 -0.061 0.000 0.752 200 E HN 0.059 nan 8.360 nan 0.000 0.449 204 N N 0.170 118.935 118.700 0.108 0.000 2.135 204 N HA -0.050 4.689 4.740 -0.000 0.000 0.186 204 N C 1.535 177.089 175.510 0.072 0.000 1.027 204 N CA 1.786 54.881 53.050 0.075 0.000 0.849 204 N CB -0.238 38.288 38.487 0.066 0.000 1.002 204 N HN 0.267 nan 8.380 nan 0.000 0.425 205 L N 1.346 122.619 121.223 0.083 0.000 2.043 205 L HA -0.110 4.229 4.340 -0.000 0.000 0.212 205 L C 2.246 179.168 176.870 0.086 0.000 1.075 205 L CA 1.416 56.304 54.840 0.080 0.000 0.752 205 L CB -0.897 41.221 42.059 0.097 0.000 0.891 205 L HN 0.201 nan 8.230 nan 0.000 0.432 206 R N -0.983 119.571 120.500 0.090 0.000 2.113 206 R HA -0.238 4.101 4.340 -0.000 0.000 0.231 206 R C 2.228 178.590 176.300 0.102 0.000 1.129 206 R CA 1.756 57.908 56.100 0.087 0.000 0.915 206 R CB -0.864 29.463 30.300 0.046 0.000 0.837 206 R HN 0.412 nan 8.270 nan 0.000 0.430 207 A N 1.167 124.034 122.820 0.078 0.000 1.892 207 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 207 A C 2.244 179.838 177.584 0.017 0.000 1.188 207 A CA 1.718 53.788 52.037 0.055 0.000 0.631 207 A CB -0.740 18.248 19.000 -0.020 0.000 0.822 207 A HN 0.289 nan 8.150 nan 0.000 0.447 208 I N 0.502 121.084 120.570 0.021 0.000 2.208 208 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 208 I C 2.771 178.803 176.117 -0.142 0.000 1.097 208 I CA 1.835 63.094 61.300 -0.069 0.000 1.363 208 I CB -0.219 37.809 38.000 0.046 0.000 1.051 208 I HN 0.534 nan 8.210 nan 0.000 0.413 209 S N -1.460 114.248 115.700 0.014 0.000 2.478 209 S HA -0.132 4.338 4.470 -0.000 0.000 0.222 209 S C 1.867 176.641 174.600 0.290 0.000 1.008 209 S CA 0.434 58.688 58.200 0.089 0.000 0.928 209 S CB -0.289 62.964 63.200 0.089 0.000 0.781 209 S HN 0.532 nan 8.310 nan 0.000 0.518 210 H N 0.253 119.396 119.070 0.121 0.000 2.855 210 H HA 0.269 4.825 4.556 -0.000 0.000 0.259 210 H C 0.156 175.436 175.328 -0.080 0.000 0.972 210 H CA 0.784 56.842 56.048 0.016 0.000 1.213 210 H CB 0.634 30.348 29.762 -0.080 0.000 1.451 210 H HN 0.373 nan 8.280 nan 0.000 0.484 211 D N -0.993 119.379 120.400 -0.048 0.000 2.449 211 D HA 0.109 4.749 4.640 -0.000 0.000 0.255 211 D C 1.489 177.680 176.300 -0.182 0.000 1.121 211 D CA 0.528 54.478 54.000 -0.084 0.000 0.830 211 D CB 0.925 41.751 40.800 0.045 0.000 1.280 211 D HN 0.360 nan 8.370 nan 0.000 0.522 212 G N 1.494 110.054 108.800 -0.401 0.000 2.600 212 G HA2 0.059 4.019 3.960 -0.000 0.000 0.225 212 G HA3 0.059 4.019 3.960 -0.000 0.000 0.225 212 G C 1.327 175.621 174.900 -1.011 0.000 1.623 212 G CA -0.029 44.387 45.100 -1.140 0.000 0.903 212 G HN -0.025 nan 8.290 nan 0.000 0.574 213 I N 0.809 120.842 120.570 -0.895 0.000 2.361 213 I HA -0.021 4.149 4.170 -0.000 0.000 0.251 213 I C 0.780 176.787 176.117 -0.183 0.000 1.133 213 I CA 0.869 61.950 61.300 -0.365 0.000 1.413 213 I CB -1.143 36.746 38.000 -0.184 0.000 1.073 213 I HN 0.354 nan 8.210 nan 0.000 0.424 214 K N 1.067 121.362 120.400 -0.175 0.000 3.619 214 K HA -0.167 4.153 4.320 -0.000 0.000 0.275 214 K C -0.114 176.500 176.600 0.022 0.000 0.993 214 K CA 0.017 56.259 56.287 -0.075 0.000 0.787 214 K CB -1.726 30.708 32.500 -0.109 0.000 1.431 214 K HN 0.270 nan 8.250 nan 0.000 0.451 215 L N 0.788 122.052 121.223 0.068 0.000 2.483 215 L HA 0.117 4.457 4.340 -0.000 0.000 0.277 215 L C 1.092 178.026 176.870 0.107 0.000 1.248 215 L CA 0.438 55.309 54.840 0.050 0.000 0.825 215 L CB 0.273 42.313 42.059 -0.032 0.000 1.096 215 L HN 0.292 nan 8.230 nan 0.000 0.512 216 R N 0.917 121.448 120.500 0.052 0.000 2.808 216 R HA 0.478 4.817 4.340 -0.000 0.000 0.272 216 R C -2.591 173.726 176.300 0.029 0.000 0.995 216 R CA -1.971 54.173 56.100 0.073 0.000 0.917 216 R CB 1.290 31.629 30.300 0.064 0.000 1.217 216 R HN 0.307 nan 8.270 nan 0.000 0.471 217 P HA 0.092 nan 4.420 nan 0.000 0.272 217 P C 0.549 177.868 177.300 0.030 0.000 1.223 217 P CA 0.434 63.551 63.100 0.029 0.000 0.784 217 P CB 0.693 32.420 31.700 0.047 0.000 0.923 218 G N 0.637 109.452 108.800 0.025 0.000 2.268 218 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.240 218 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.240 218 G C 0.083 174.998 174.900 0.025 0.000 1.010 218 G CA -0.154 44.960 45.100 0.024 0.000 0.618 218 G HN 0.538 nan 8.290 nan 0.000 0.516 219 D N 0.525 120.942 120.400 0.029 0.000 2.423 219 D HA 0.485 5.125 4.640 -0.000 0.000 0.238 219 D C 0.752 177.072 176.300 0.033 0.000 1.142 219 D CA 0.416 54.438 54.000 0.038 0.000 0.884 219 D CB 0.743 41.567 40.800 0.040 0.000 1.199 219 D HN 0.611 nan 8.370 nan 0.000 0.438 220 R N 1.249 121.772 120.500 0.038 0.000 2.574 220 R HA 0.430 4.770 4.340 -0.000 0.000 0.288 220 R C -1.521 174.806 176.300 0.045 0.000 1.004 220 R CA -0.630 55.484 56.100 0.025 0.000 0.895 220 R CB 0.737 31.035 30.300 -0.003 0.000 1.191 220 R HN 0.400 nan 8.270 nan 0.000 0.444 221 C N 3.857 123.194 119.300 0.062 0.000 2.388 221 C HA 0.574 5.034 4.460 -0.000 0.000 0.362 221 C C -0.171 174.838 174.990 0.032 0.000 1.266 221 C CA -0.572 58.539 59.018 0.154 0.000 2.028 221 C CB 0.755 28.655 27.740 0.267 0.000 2.440 221 C HN 0.485 nan 8.230 nan 0.000 0.547 222 V N 3.412 123.329 119.914 0.005 0.000 2.444 222 V HA 0.729 4.849 4.120 -0.000 0.000 0.294 222 V C -0.105 175.814 176.094 -0.292 0.000 1.022 222 V CA -0.049 62.178 62.300 -0.121 0.000 0.850 222 V CB 1.692 33.453 31.823 -0.103 0.000 0.992 222 V HN 0.953 nan 8.190 nan 0.000 0.426 223 S N 5.008 120.460 115.700 -0.413 0.000 2.549 223 S HA 0.615 5.085 4.470 -0.000 0.000 0.280 223 S C -0.216 174.133 174.600 -0.418 0.000 1.109 223 S CA -0.671 57.082 58.200 -0.745 0.000 0.905 223 S CB 1.674 64.206 63.200 -1.113 0.000 1.081 223 S HN 0.892 nan 8.310 nan 0.000 0.477 224 W N 4.202 125.125 121.300 -0.629 0.000 2.870 224 W HA 0.361 5.021 4.660 -0.000 0.000 0.358 224 W C -0.444 175.748 176.519 -0.545 0.000 1.043 224 W CA -0.581 56.442 57.345 -0.537 0.000 1.692 224 W CB -0.652 28.395 29.460 -0.688 0.000 1.100 224 W HN 0.356 nan 8.180 nan 0.000 0.557 225 L N 3.208 123.913 121.223 -0.863 0.000 2.489 225 L HA 0.081 4.421 4.340 -0.000 0.000 0.285 225 L C -1.911 174.638 176.870 -0.534 0.000 1.259 225 L CA -1.209 53.220 54.840 -0.685 0.000 0.828 225 L CB -0.541 41.135 42.059 -0.638 0.000 1.094 225 L HN -0.387 nan 8.230 nan 0.000 0.524 226 P HA 0.215 nan 4.420 nan 0.000 0.290 226 P C -0.165 176.695 177.300 -0.734 0.000 1.275 226 P CA -0.517 62.008 63.100 -0.958 0.000 0.841 226 P CB 0.594 31.218 31.700 -1.794 0.000 1.042 227 F N 0.369 119.984 119.950 -0.558 0.000 2.661 227 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 227 F C 1.748 177.388 175.800 -0.267 0.000 1.137 227 F CA 0.603 58.394 58.000 -0.348 0.000 1.454 227 F CB -1.341 37.440 39.000 -0.365 0.000 1.103 227 F HN 0.357 nan 8.300 nan 0.000 0.577 228 Y N -2.422 117.847 120.300 -0.051 0.000 2.490 228 Y HA 0.260 4.810 4.550 -0.000 0.000 0.281 228 Y C 0.432 176.393 175.900 0.102 0.000 1.174 228 Y CA -0.784 57.303 58.100 -0.021 0.000 1.295 228 Y CB -1.688 36.723 38.460 -0.081 0.000 1.062 228 Y HN 0.078 nan 8.280 nan 0.000 0.522 229 H N -0.040 119.049 119.070 0.033 0.000 2.595 229 H HA 0.235 4.790 4.556 -0.000 0.000 0.346 229 H C -0.565 174.790 175.328 0.045 0.000 1.181 229 H CA -1.163 54.929 56.048 0.074 0.000 1.242 229 H CB 1.239 31.012 29.762 0.018 0.000 1.652 229 H HN 0.083 nan 8.280 nan 0.000 0.548 233 L N 1.827 123.157 121.223 0.178 0.000 1.971 233 L HA 0.261 4.601 4.340 -0.000 0.000 0.208 233 L C 2.822 179.663 176.870 -0.050 0.000 1.083 233 L CA 2.306 57.170 54.840 0.040 0.000 0.753 233 L CB -0.801 41.209 42.059 -0.081 0.000 0.893 233 L HN 0.073 nan 8.230 nan 0.000 0.436 234 V N 0.345 120.228 119.914 -0.052 0.000 2.407 234 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 234 V C 2.482 178.561 176.094 -0.025 0.000 1.055 234 V CA 1.763 64.043 62.300 -0.034 0.000 1.049 234 V CB -1.538 30.300 31.823 0.025 0.000 0.662 234 V HN 0.685 nan 8.190 nan 0.000 0.455 235 G N -1.359 107.442 108.800 0.001 0.000 2.395 235 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.214 235 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.214 235 G C 1.089 175.751 174.900 -0.398 0.000 1.177 235 G CA 0.523 45.536 45.100 -0.145 0.000 0.794 235 G HN 0.528 nan 8.290 nan 0.000 0.532 236 F N -0.642 119.378 119.950 0.115 0.000 2.724 236 F HA 0.513 5.040 4.527 -0.000 0.000 0.310 236 F C 1.379 177.383 175.800 0.339 0.000 1.107 236 F CA -0.322 57.795 58.000 0.194 0.000 1.218 236 F CB 0.715 39.822 39.000 0.178 0.000 1.042 236 F HN 0.043 nan 8.300 nan 0.000 0.540 237 L N -1.109 120.279 121.223 0.274 0.000 2.614 237 L HA 0.168 4.508 4.340 -0.000 0.000 0.185 237 L C 1.840 178.748 176.870 0.062 0.000 1.098 237 L CA 0.567 55.489 54.840 0.137 0.000 0.852 237 L CB -0.084 41.826 42.059 -0.249 0.000 1.213 237 L HN 0.025 nan 8.230 nan 0.000 0.491 238 L N -0.256 120.952 121.223 -0.025 0.000 2.027 238 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 238 L C 2.462 179.339 176.870 0.012 0.000 1.074 238 L CA 1.717 56.565 54.840 0.013 0.000 0.745 238 L CB -0.979 41.067 42.059 -0.021 0.000 0.898 238 L HN 0.296 nan 8.230 nan 0.000 0.433 239 T N -0.022 114.513 114.554 -0.031 0.000 2.708 239 T HA -0.089 4.260 4.350 -0.000 0.000 0.266 239 T C -0.442 174.222 174.700 -0.060 0.000 1.037 239 T CA 1.332 63.396 62.100 -0.059 0.000 1.146 239 T CB -1.118 67.667 68.868 -0.140 0.000 0.865 239 T HN 0.201 nan 8.240 nan 0.000 0.435 240 P HA -0.035 nan 4.420 nan 0.000 0.215 240 P C 1.729 178.969 177.300 -0.099 0.000 1.153 240 P CA 0.580 63.687 63.100 0.013 0.000 0.853 240 P CB -0.243 31.540 31.700 0.138 0.000 0.788 241 V N 0.310 120.091 119.914 -0.223 0.000 2.255 241 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 241 V C 2.291 178.174 176.094 -0.351 0.000 1.051 241 V CA 2.372 64.319 62.300 -0.588 0.000 1.018 241 V CB -1.720 29.873 31.823 -0.384 0.000 0.641 241 V HN 0.104 nan 8.190 nan 0.000 0.445 242 A N -1.979 120.763 122.820 -0.130 0.000 2.239 242 A HA -0.079 4.241 4.320 -0.000 0.000 0.209 242 A C 2.104 179.742 177.584 0.091 0.000 1.171 242 A CA 1.763 53.787 52.037 -0.021 0.000 0.768 242 A CB -0.346 18.710 19.000 0.093 0.000 0.790 242 A HN 0.479 nan 8.150 nan 0.000 0.478 243 T N -1.802 112.752 114.554 -0.000 0.000 3.041 243 T HA 0.231 4.581 4.350 -0.000 0.000 0.276 243 T C 0.087 174.795 174.700 0.013 0.000 0.948 243 T CA 0.383 62.480 62.100 -0.005 0.000 0.885 243 T CB -0.003 68.822 68.868 -0.072 0.000 1.175 243 T HN 0.482 nan 8.240 nan 0.000 0.529 244 Q N 0.743 120.553 119.800 0.016 0.000 2.494 244 Q HA -0.137 4.203 4.340 -0.000 0.000 0.266 244 Q C -0.397 175.696 176.000 0.155 0.000 1.053 244 Q CA 0.695 56.556 55.803 0.097 0.000 1.029 244 Q CB -2.358 26.460 28.738 0.134 0.000 1.423 244 Q HN 0.528 nan 8.270 nan 0.000 0.516 245 L N -0.577 120.728 121.223 0.137 0.000 2.399 245 L HA 0.551 4.891 4.340 -0.000 0.000 0.265 245 L C 0.701 177.692 176.870 0.202 0.000 1.089 245 L CA -0.809 54.105 54.840 0.123 0.000 0.802 245 L CB 1.373 43.464 42.059 0.053 0.000 1.180 245 L HN -0.019 nan 8.230 nan 0.000 0.454 246 S N 0.322 116.068 115.700 0.077 0.000 2.632 246 S HA 0.537 5.007 4.470 -0.000 0.000 0.271 246 S C -0.643 173.944 174.600 -0.021 0.000 1.260 246 S CA -0.502 57.690 58.200 -0.013 0.000 1.010 246 S CB 2.033 65.190 63.200 -0.072 0.000 0.965 246 S HN 0.371 nan 8.310 nan 0.000 0.534 247 V N 1.979 121.823 119.914 -0.116 0.000 2.808 247 V HA 0.468 4.588 4.120 -0.000 0.000 0.308 247 V C -1.866 173.967 176.094 -0.436 0.000 1.099 247 V CA -0.770 61.391 62.300 -0.231 0.000 0.920 247 V CB 2.236 33.921 31.823 -0.230 0.000 1.014 247 V HN 0.813 nan 8.190 nan 0.000 0.425 248 D N 5.051 125.226 120.400 -0.375 0.000 2.256 248 D HA 0.441 5.081 4.640 -0.000 0.000 0.240 248 D C -1.245 174.861 176.300 -0.324 0.000 1.062 248 D CA 0.376 54.236 54.000 -0.233 0.000 0.832 248 D CB 1.431 42.215 40.800 -0.027 0.000 1.135 248 D HN 0.538 nan 8.370 nan 0.000 0.484 249 Y N 1.241 121.551 120.300 0.016 0.000 2.352 249 Y HA 0.445 4.994 4.550 -0.000 0.000 0.339 249 Y C 0.413 176.380 175.900 0.112 0.000 0.992 249 Y CA -0.876 57.211 58.100 -0.021 0.000 1.100 249 Y CB 1.635 40.011 38.460 -0.139 0.000 1.192 249 Y HN 0.067 nan 8.280 nan 0.000 0.458 250 L N 3.389 124.758 121.223 0.244 0.000 2.334 250 L HA 0.579 4.919 4.340 -0.000 0.000 0.270 250 L C -0.063 176.895 176.870 0.145 0.000 1.018 250 L CA -1.166 53.804 54.840 0.217 0.000 0.811 250 L CB 1.586 43.771 42.059 0.210 0.000 1.271 250 L HN 0.575 nan 8.230 nan 0.000 0.443 251 R N 0.008 120.580 120.500 0.120 0.000 2.490 251 R HA 0.145 4.485 4.340 -0.000 0.000 0.280 251 R C 0.845 177.191 176.300 0.076 0.000 1.077 251 R CA -0.278 55.853 56.100 0.053 0.000 1.065 251 R CB 0.992 31.328 30.300 0.060 0.000 1.003 251 R HN 0.632 nan 8.270 nan 0.000 0.470 252 T N 1.857 116.436 114.554 0.043 0.000 2.720 252 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 252 T C 1.800 176.566 174.700 0.111 0.000 1.037 252 T CA 1.590 63.764 62.100 0.124 0.000 1.144 252 T CB -0.036 68.890 68.868 0.097 0.000 0.864 252 T HN 0.645 nan 8.240 nan 0.000 0.444 253 Q N 1.063 120.912 119.800 0.081 0.000 2.230 253 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 253 Q C 1.226 177.243 176.000 0.028 0.000 0.963 253 Q CA 1.418 57.256 55.803 0.059 0.000 0.866 253 Q CB -0.429 28.341 28.738 0.054 0.000 0.931 253 Q HN 0.363 nan 8.270 nan 0.000 0.452 254 D N 0.805 121.229 120.400 0.041 0.000 2.117 254 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 254 D C 1.621 177.908 176.300 -0.022 0.000 0.987 254 D CA 0.983 54.997 54.000 0.022 0.000 0.829 254 D CB -0.502 40.333 40.800 0.057 0.000 0.961 254 D HN 0.305 nan 8.370 nan 0.000 0.460 255 F N 1.654 121.493 119.950 -0.185 0.000 2.102 255 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 255 F C 1.268 176.862 175.800 -0.343 0.000 1.105 255 F CA 0.924 58.701 58.000 -0.372 0.000 1.239 255 F CB -0.438 38.081 39.000 -0.802 0.000 0.991 255 F HN -0.114 nan 8.300 nan 0.000 0.474 259 P HA -0.178 nan 4.420 nan 0.000 0.217 259 P C 1.008 178.178 177.300 -0.217 0.000 1.148 259 P CA 0.851 63.418 63.100 -0.889 0.000 0.828 259 P CB 0.301 31.599 31.700 -0.669 0.000 0.783 260 L N -0.671 120.509 121.223 -0.072 0.000 2.610 260 L HA -0.011 4.329 4.340 -0.000 0.000 0.232 260 L C 1.978 178.883 176.870 0.059 0.000 1.149 260 L CA 1.396 56.268 54.840 0.053 0.000 0.872 260 L CB -1.215 40.880 42.059 0.060 0.000 0.992 260 L HN 0.096 nan 8.230 nan 0.000 0.447 261 Q N -1.682 118.153 119.800 0.057 0.000 2.187 261 Q HA -0.190 4.150 4.340 -0.000 0.000 0.199 261 Q C 1.843 177.936 176.000 0.155 0.000 0.957 261 Q CA 0.670 56.513 55.803 0.068 0.000 0.857 261 Q CB -0.227 28.541 28.738 0.050 0.000 0.929 261 Q HN 0.523 nan 8.270 nan 0.000 0.453 262 W N 2.052 123.390 121.300 0.063 0.000 2.298 262 W HA -0.240 4.420 4.660 -0.000 0.000 0.328 262 W C 1.797 178.270 176.519 -0.077 0.000 1.259 262 W CA 1.598 58.991 57.345 0.079 0.000 1.251 262 W CB -0.873 28.745 29.460 0.262 0.000 1.161 262 W HN 0.089 nan 8.180 nan 0.000 0.466 263 L N 0.384 121.541 121.223 -0.110 0.000 2.083 263 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 263 L C 2.587 179.325 176.870 -0.220 0.000 1.083 263 L CA 1.696 56.324 54.840 -0.353 0.000 0.752 263 L CB -1.099 40.784 42.059 -0.294 0.000 0.899 263 L HN -0.007 nan 8.230 nan 0.000 0.433 264 K N 0.143 120.480 120.400 -0.106 0.000 2.063 264 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 264 K C 2.138 178.646 176.600 -0.154 0.000 1.048 264 K CA 1.187 57.415 56.287 -0.099 0.000 0.928 264 K CB -0.168 32.296 32.500 -0.060 0.000 0.713 264 K HN 0.296 nan 8.250 nan 0.000 0.442 265 L N 1.109 122.230 121.223 -0.170 0.000 2.027 265 L HA -0.163 4.176 4.340 -0.000 0.000 0.206 265 L C 2.308 179.025 176.870 -0.256 0.000 1.074 265 L CA 1.258 55.949 54.840 -0.248 0.000 0.745 265 L CB -0.268 41.668 42.059 -0.205 0.000 0.898 265 L HN 0.209 nan 8.230 nan 0.000 0.433 266 I N -0.686 119.697 120.570 -0.313 0.000 2.194 266 I HA -0.359 3.811 4.170 -0.000 0.000 0.246 266 I C 2.768 178.722 176.117 -0.272 0.000 1.093 266 I CA 1.773 62.834 61.300 -0.398 0.000 1.355 266 I CB -0.277 37.273 38.000 -0.749 0.000 1.046 266 I HN 0.303 nan 8.210 nan 0.000 0.413 267 S N 0.308 115.874 115.700 -0.223 0.000 2.436 267 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 267 S C 2.072 176.610 174.600 -0.103 0.000 1.014 267 S CA 0.961 59.083 58.200 -0.130 0.000 0.950 267 S CB -0.082 63.063 63.200 -0.093 0.000 0.784 267 S HN 0.290 nan 8.310 nan 0.000 0.504 268 K N 1.128 121.451 120.400 -0.128 0.000 1.973 268 K HA -0.037 4.283 4.320 -0.000 0.000 0.212 268 K C 0.804 177.356 176.600 -0.081 0.000 1.047 268 K CA 1.774 57.998 56.287 -0.105 0.000 0.937 268 K CB -0.366 32.043 32.500 -0.152 0.000 0.721 268 K HN 0.527 nan 8.250 nan 0.000 0.440 269 N N 0.844 119.486 118.700 -0.097 0.000 2.295 269 N HA 0.089 4.828 4.740 -0.000 0.000 0.221 269 N C -0.904 174.572 175.510 -0.056 0.000 1.129 269 N CA -0.203 52.813 53.050 -0.057 0.000 0.836 269 N CB 0.527 38.990 38.487 -0.040 0.000 1.040 269 N HN 0.108 nan 8.380 nan 0.000 0.494 270 R N 0.088 120.548 120.500 -0.067 0.000 3.333 270 R HA -0.119 4.221 4.340 -0.000 0.000 0.256 270 R C 0.259 176.522 176.300 -0.061 0.000 1.010 270 R CA 0.494 56.562 56.100 -0.052 0.000 0.680 270 R CB -2.493 27.794 30.300 -0.022 0.000 1.102 270 R HN 0.428 nan 8.270 nan 0.000 0.440 271 G N -0.119 108.611 108.800 -0.117 0.000 2.474 271 G HA2 0.145 4.104 3.960 -0.000 0.000 0.233 271 G HA3 0.145 4.104 3.960 -0.000 0.000 0.233 271 G C 0.891 175.733 174.900 -0.096 0.000 1.278 271 G CA 0.492 45.513 45.100 -0.132 0.000 0.861 271 G HN 0.249 nan 8.290 nan 0.000 0.567 272 T N 0.256 114.803 114.554 -0.011 0.000 3.085 272 T HA 0.153 4.503 4.350 -0.000 0.000 0.241 272 T C 0.675 175.517 174.700 0.237 0.000 0.988 272 T CA 0.337 62.498 62.100 0.103 0.000 1.117 272 T CB 0.307 69.229 68.868 0.089 0.000 0.978 272 T HN 0.236 nan 8.240 nan 0.000 0.454 273 V N 1.498 121.537 119.914 0.207 0.000 2.555 273 V HA 0.791 4.911 4.120 -0.000 0.000 0.302 273 V C -0.529 175.797 176.094 0.387 0.000 1.038 273 V CA -0.572 61.929 62.300 0.336 0.000 0.887 273 V CB 1.677 33.656 31.823 0.260 0.000 0.991 273 V HN 0.292 nan 8.190 nan 0.000 0.434 274 S N 2.995 119.031 115.700 0.560 0.000 2.537 274 S HA 0.835 5.305 4.470 -0.000 0.000 0.271 274 S C -1.690 173.263 174.600 0.588 0.000 1.148 274 S CA -0.398 58.089 58.200 0.478 0.000 0.868 274 S CB 1.954 65.366 63.200 0.353 0.000 1.115 274 S HN 0.528 nan 8.310 nan 0.000 0.461 275 V N 2.094 122.200 119.914 0.319 0.000 2.808 275 V HA 0.968 5.088 4.120 -0.000 0.000 0.308 275 V C -0.116 175.873 176.094 -0.174 0.000 1.099 275 V CA -0.215 62.249 62.300 0.274 0.000 0.920 275 V CB 1.360 33.419 31.823 0.393 0.000 1.014 275 V HN 1.234 nan 8.190 nan 0.000 0.425 276 A N 5.519 128.244 122.820 -0.158 0.000 2.594 276 A HA 1.047 5.366 4.320 -0.000 0.000 0.291 276 A C -3.206 174.224 177.584 -0.257 0.000 1.105 276 A CA -1.753 49.938 52.037 -0.577 0.000 0.694 276 A CB 2.160 20.548 19.000 -1.020 0.000 1.291 276 A HN 0.582 nan 8.150 nan 0.000 0.410 277 P HA 0.252 nan 4.420 nan 0.000 0.271 277 P C -2.050 175.194 177.300 -0.094 0.000 1.233 277 P CA -0.996 61.989 63.100 -0.192 0.000 0.789 277 P CB 0.103 31.637 31.700 -0.275 0.000 0.951 278 P HA -0.174 nan 4.420 nan 0.000 0.217 278 P C 1.127 178.562 177.300 0.224 0.000 1.148 278 P CA 1.351 64.561 63.100 0.184 0.000 0.828 278 P CB -0.534 31.266 31.700 0.167 0.000 0.783 279 F N -1.282 118.797 119.950 0.215 0.000 2.456 279 F HA 0.230 4.756 4.527 -0.000 0.000 0.298 279 F C 1.962 177.903 175.800 0.236 0.000 1.104 279 F CA 0.823 58.947 58.000 0.207 0.000 1.435 279 F CB -1.716 37.387 39.000 0.172 0.000 1.078 279 F HN -0.205 nan 8.300 nan 0.000 0.546 280 G N -0.154 108.374 108.800 -0.453 0.000 2.422 280 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 280 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 280 G C 1.257 176.239 174.900 0.137 0.000 1.140 280 G CA 0.972 45.973 45.100 -0.166 0.000 0.775 280 G HN 0.466 nan 8.290 nan 0.000 0.545 281 Y N 0.299 120.708 120.300 0.182 0.000 2.176 281 Y HA 0.036 4.585 4.550 -0.000 0.000 0.291 281 Y C 2.745 178.815 175.900 0.284 0.000 1.122 281 Y CA 1.103 59.266 58.100 0.105 0.000 1.128 281 Y CB -0.262 38.037 38.460 -0.268 0.000 1.005 281 Y HN 0.122 nan 8.280 nan 0.000 0.509 282 E N 0.775 121.219 120.200 0.405 0.000 2.171 282 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 282 E C 2.105 178.894 176.600 0.316 0.000 0.997 282 E CA 1.141 57.754 56.400 0.354 0.000 0.810 282 E CB -0.326 29.554 29.700 0.301 0.000 0.738 282 E HN 0.406 nan 8.360 nan 0.000 0.467 283 L N 0.364 121.774 121.223 0.312 0.000 2.056 283 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 283 L C 2.489 179.475 176.870 0.194 0.000 1.078 283 L CA 1.554 56.515 54.840 0.202 0.000 0.749 283 L CB -0.769 41.406 42.059 0.192 0.000 0.901 283 L HN 0.171 nan 8.230 nan 0.000 0.433 284 C N -0.786 118.719 119.300 0.341 0.000 2.446 284 C HA -0.123 4.336 4.460 -0.000 0.000 0.277 284 C C 2.737 178.016 174.990 0.483 0.000 1.275 284 C CA 0.824 60.085 59.018 0.406 0.000 1.727 284 C CB -0.845 27.227 27.740 0.553 0.000 2.010 284 C HN 0.644 nan 8.230 nan 0.000 0.486 285 Q N 1.078 121.229 119.800 0.585 0.000 2.170 285 Q HA -0.181 4.159 4.340 -0.000 0.000 0.203 285 Q C 2.244 178.349 176.000 0.176 0.000 0.976 285 Q CA 1.499 57.549 55.803 0.411 0.000 0.858 285 Q CB -0.360 28.662 28.738 0.473 0.000 0.907 285 Q HN 0.681 nan 8.270 nan 0.000 0.433 286 R N -0.531 120.073 120.500 0.173 0.000 2.140 286 R HA 0.092 4.432 4.340 -0.000 0.000 0.213 286 R C 1.270 177.596 176.300 0.043 0.000 1.059 286 R CA 0.401 56.553 56.100 0.087 0.000 1.000 286 R CB 0.359 30.699 30.300 0.066 0.000 0.910 286 R HN 0.031 nan 8.270 nan 0.000 0.455 287 R N 0.247 120.778 120.500 0.052 0.000 2.546 287 R HA 0.176 4.516 4.340 -0.000 0.000 0.320 287 R C -0.536 175.784 176.300 0.033 0.000 1.021 287 R CA -0.168 55.940 56.100 0.013 0.000 1.088 287 R CB 1.470 31.750 30.300 -0.034 0.000 1.278 287 R HN -0.020 nan 8.270 nan 0.000 0.557 288 V N 2.648 122.600 119.914 0.062 0.000 2.583 288 V HA 0.132 4.251 4.120 -0.000 0.000 0.287 288 V C -0.545 175.546 176.094 -0.005 0.000 1.051 288 V CA -0.535 61.801 62.300 0.060 0.000 1.010 288 V CB 1.021 32.881 31.823 0.062 0.000 0.988 288 V HN 0.422 nan 8.190 nan 0.000 0.478 289 N N 4.089 122.788 118.700 -0.001 0.000 2.471 289 N HA 0.357 5.097 4.740 -0.000 0.000 0.288 289 N C 0.486 175.982 175.510 -0.023 0.000 1.220 289 N CA -0.749 52.290 53.050 -0.018 0.000 0.893 289 N CB 0.864 39.345 38.487 -0.011 0.000 1.256 289 N HN 0.463 nan 8.380 nan 0.000 0.534 290 E N 0.194 120.376 120.200 -0.029 0.000 2.160 290 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 290 E C 1.002 177.594 176.600 -0.013 0.000 0.991 290 E CA 1.062 57.444 56.400 -0.029 0.000 0.810 290 E CB -0.034 29.649 29.700 -0.028 0.000 0.742 290 E HN 0.727 nan 8.360 nan 0.000 0.466 291 K N 0.422 120.818 120.400 -0.007 0.000 2.211 291 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 291 K C 1.337 177.942 176.600 0.007 0.000 1.050 291 K CA 1.272 57.559 56.287 -0.001 0.000 0.945 291 K CB 0.239 32.737 32.500 -0.002 0.000 0.732 291 K HN -0.008 nan 8.250 nan 0.000 0.451 292 D N 0.668 121.078 120.400 0.016 0.000 2.149 292 D HA -0.097 4.543 4.640 -0.000 0.000 0.206 292 D C 1.925 178.255 176.300 0.050 0.000 0.967 292 D CA 0.821 54.843 54.000 0.037 0.000 0.848 292 D CB -0.141 40.697 40.800 0.064 0.000 0.998 292 D HN 0.186 nan 8.370 nan 0.000 0.474 293 L N 1.201 122.450 121.223 0.044 0.000 2.189 293 L HA -0.196 4.144 4.340 -0.000 0.000 0.214 293 L C 2.536 179.423 176.870 0.028 0.000 1.097 293 L CA 0.912 55.777 54.840 0.041 0.000 0.764 293 L CB -0.504 41.545 42.059 -0.017 0.000 0.900 293 L HN -0.028 nan 8.230 nan 0.000 0.436 294 A N 0.992 123.821 122.820 0.015 0.000 1.908 294 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 294 A C 1.702 179.294 177.584 0.013 0.000 1.181 294 A CA 1.939 53.981 52.037 0.009 0.000 0.627 294 A CB -0.359 18.644 19.000 0.004 0.000 0.818 294 A HN 0.635 nan 8.150 nan 0.000 0.445 295 E N -0.880 119.329 120.200 0.015 0.000 2.609 295 E HA 0.528 4.878 4.350 -0.000 0.000 0.208 295 E C -0.798 175.807 176.600 0.009 0.000 1.013 295 E CA -0.255 56.150 56.400 0.009 0.000 1.093 295 E CB 0.145 29.847 29.700 0.002 0.000 1.129 295 E HN 0.439 nan 8.360 nan 0.000 0.450 296 L N 1.264 122.502 121.223 0.024 0.000 2.356 296 L HA 0.483 4.823 4.340 -0.000 0.000 0.277 296 L C -0.902 175.990 176.870 0.037 0.000 0.996 296 L CA -1.067 53.788 54.840 0.026 0.000 0.822 296 L CB 1.704 43.797 42.059 0.056 0.000 1.256 296 L HN 0.002 nan 8.230 nan 0.000 0.413 297 D N 3.261 123.676 120.400 0.024 0.000 2.471 297 D HA 0.307 4.946 4.640 -0.000 0.000 0.245 297 D C -0.146 176.189 176.300 0.058 0.000 1.116 297 D CA -0.360 53.665 54.000 0.041 0.000 0.853 297 D CB 1.834 42.648 40.800 0.024 0.000 1.123 297 D HN 0.197 nan 8.370 nan 0.000 0.540 298 L N 2.978 124.271 121.223 0.117 0.000 2.667 298 L HA 0.101 4.441 4.340 -0.000 0.000 0.232 298 L C 2.166 179.160 176.870 0.206 0.000 1.138 298 L CA 0.393 55.357 54.840 0.207 0.000 0.921 298 L CB -0.619 41.659 42.059 0.365 0.000 1.180 298 L HN 0.480 nan 8.230 nan 0.000 0.487 299 S N -1.176 114.589 115.700 0.108 0.000 2.419 299 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 299 S C 2.098 176.741 174.600 0.071 0.000 1.016 299 S CA 0.993 59.229 58.200 0.060 0.000 0.974 299 S CB -1.166 62.053 63.200 0.032 0.000 0.786 299 S HN 0.621 nan 8.310 nan 0.000 0.492 300 C N -1.901 117.453 119.300 0.089 0.000 2.472 300 C HA 0.263 4.723 4.460 -0.000 0.000 0.278 300 C C 1.068 176.154 174.990 0.161 0.000 1.447 300 C CA -1.486 57.581 59.018 0.082 0.000 1.773 300 C CB -2.088 25.674 27.740 0.036 0.000 1.793 300 C HN 0.653 nan 8.230 nan 0.000 0.544 301 W N 2.998 124.287 121.300 -0.019 0.000 2.419 301 W HA 0.414 5.074 4.660 -0.000 0.000 0.312 301 W C 1.362 177.858 176.519 -0.039 0.000 1.323 301 W CA -0.714 56.630 57.345 -0.001 0.000 1.293 301 W CB 0.097 29.591 29.460 0.057 0.000 1.324 301 W HN 0.373 nan 8.180 nan 0.000 0.512 302 R N 2.951 123.676 120.500 0.374 0.000 2.164 302 R HA 0.177 4.517 4.340 -0.000 0.000 0.198 302 R C -0.519 175.820 176.300 0.064 0.000 1.028 302 R CA 0.715 56.891 56.100 0.126 0.000 1.083 302 R CB 0.271 30.645 30.300 0.122 0.000 1.026 302 R HN 0.145 nan 8.270 nan 0.000 0.514 303 V N 1.899 121.936 119.914 0.205 0.000 2.357 303 V HA 0.486 4.606 4.120 -0.000 0.000 0.281 303 V C -0.845 175.425 176.094 0.294 0.000 1.015 303 V CA -0.865 61.537 62.300 0.170 0.000 0.827 303 V CB 1.222 33.163 31.823 0.197 0.000 1.018 303 V HN 0.272 nan 8.190 nan 0.000 0.432 304 A N 3.772 126.609 122.820 0.028 0.000 2.774 304 A HA 0.715 5.035 4.320 -0.000 0.000 0.326 304 A C 0.721 178.527 177.584 0.369 0.000 1.478 304 A CA 0.013 52.147 52.037 0.163 0.000 1.099 304 A CB 0.025 18.761 19.000 -0.439 0.000 1.148 304 A HN 0.922 nan 8.150 nan 0.000 0.519 305 G N 1.274 110.341 108.800 0.446 0.000 2.372 305 G HA2 0.541 4.501 3.960 -0.000 0.000 0.283 305 G HA3 0.541 4.501 3.960 -0.000 0.000 0.283 305 G C -0.550 174.541 174.900 0.318 0.000 1.177 305 G CA -0.326 44.975 45.100 0.336 0.000 0.842 305 G HN 0.556 nan 8.290 nan 0.000 0.503 306 I N 1.339 121.999 120.570 0.151 0.000 2.465 306 I HA 0.772 4.942 4.170 -0.000 0.000 0.291 306 I C 0.628 176.776 176.117 0.052 0.000 1.014 306 I CA -0.302 61.068 61.300 0.117 0.000 1.093 306 I CB 2.109 40.058 38.000 -0.085 0.000 1.267 306 I HN 0.717 nan 8.210 nan 0.000 0.431 307 G N 2.709 111.538 108.800 0.049 0.000 2.682 307 G HA2 0.685 4.645 3.960 -0.000 0.000 0.303 307 G HA3 0.685 4.645 3.960 -0.000 0.000 0.303 307 G C -0.100 174.817 174.900 0.028 0.000 1.341 307 G CA 0.071 45.184 45.100 0.021 0.000 0.784 307 G HN 1.173 nan 8.290 nan 0.000 0.497 308 A N -1.447 121.392 122.820 0.031 0.000 3.244 308 A HA -0.120 4.200 4.320 -0.000 0.000 0.233 308 A C 0.419 178.054 177.584 0.085 0.000 0.701 308 A CA 1.986 54.045 52.037 0.037 0.000 1.381 308 A CB -1.909 17.099 19.000 0.015 0.000 1.208 308 A HN 1.029 nan 8.150 nan 0.000 0.685 309 E N -0.388 119.877 120.200 0.108 0.000 2.393 309 E HA 0.528 4.878 4.350 -0.000 0.000 0.273 309 E C -3.004 173.674 176.600 0.130 0.000 0.918 309 E CA -2.537 53.944 56.400 0.135 0.000 0.773 309 E CB 1.325 31.126 29.700 0.168 0.000 1.275 309 E HN 0.146 nan 8.360 nan 0.000 0.451 310 P HA -0.060 nan 4.420 nan 0.000 0.257 310 P C -0.756 176.618 177.300 0.123 0.000 1.162 310 P CA 0.723 63.905 63.100 0.137 0.000 0.762 310 P CB 0.071 31.876 31.700 0.175 0.000 0.753 311 I N 1.772 122.395 120.570 0.088 0.000 2.474 311 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 311 I C 0.966 177.116 176.117 0.054 0.000 1.048 311 I CA 0.148 61.477 61.300 0.049 0.000 1.383 311 I CB 0.907 38.901 38.000 -0.010 0.000 1.412 311 I HN 0.212 nan 8.210 nan 0.000 0.531 312 S N 4.950 120.680 115.700 0.050 0.000 2.434 312 S HA 0.479 4.949 4.470 -0.000 0.000 0.318 312 S C 1.063 175.676 174.600 0.023 0.000 1.062 312 S CA -0.418 57.819 58.200 0.061 0.000 1.116 312 S CB 0.793 64.067 63.200 0.123 0.000 0.977 312 S HN 0.742 nan 8.310 nan 0.000 0.480 313 A N 3.968 126.794 122.820 0.009 0.000 1.972 313 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 313 A C 1.963 179.585 177.584 0.065 0.000 1.169 313 A CA 1.634 53.675 52.037 0.006 0.000 0.635 313 A CB -0.533 18.470 19.000 0.004 0.000 0.810 313 A HN 0.894 nan 8.150 nan 0.000 0.446 314 E N -0.325 119.925 120.200 0.083 0.000 2.106 314 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 314 E C 2.097 178.816 176.600 0.198 0.000 0.984 314 E CA 1.190 57.675 56.400 0.142 0.000 0.806 314 E CB -0.150 29.633 29.700 0.137 0.000 0.750 314 E HN 0.776 nan 8.360 nan 0.000 0.458 315 Q N 0.116 120.015 119.800 0.166 0.000 2.119 315 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 315 Q C 2.392 178.504 176.000 0.187 0.000 0.972 315 Q CA 1.087 57.001 55.803 0.184 0.000 0.847 315 Q CB 0.035 28.875 28.738 0.171 0.000 0.903 315 Q HN 0.363 nan 8.270 nan 0.000 0.433 316 L N -0.188 121.079 121.223 0.074 0.000 2.217 316 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 316 L C 2.584 179.665 176.870 0.352 0.000 1.107 316 L CA 0.851 55.678 54.840 -0.022 0.000 0.783 316 L CB -0.585 41.151 42.059 -0.539 0.000 0.919 316 L HN 0.413 nan 8.230 nan 0.000 0.442 317 H N 0.574 119.778 119.070 0.223 0.000 2.326 317 H HA -0.160 4.396 4.556 -0.000 0.000 0.301 317 H C 2.069 177.543 175.328 0.242 0.000 1.081 317 H CA 1.723 57.919 56.048 0.248 0.000 1.334 317 H CB 0.261 30.116 29.762 0.155 0.000 1.385 317 H HN 0.405 nan 8.280 nan 0.000 0.504 318 Q N -0.405 119.489 119.800 0.157 0.000 2.096 318 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 318 Q C 2.266 178.338 176.000 0.120 0.000 0.982 318 Q CA 1.879 57.732 55.803 0.083 0.000 0.850 318 Q CB -0.269 28.568 28.738 0.165 0.000 0.901 318 Q HN 0.417 nan 8.270 nan 0.000 0.422 319 F N 0.865 120.899 119.950 0.139 0.000 2.102 319 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 319 F C 2.099 178.020 175.800 0.202 0.000 1.105 319 F CA 1.365 59.509 58.000 0.240 0.000 1.239 319 F CB -0.344 38.838 39.000 0.302 0.000 0.991 319 F HN 0.017 nan 8.300 nan 0.000 0.474 320 A N 0.202 123.228 122.820 0.344 0.000 1.877 320 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 320 A C 2.143 179.739 177.584 0.019 0.000 1.186 320 A CA 1.819 54.001 52.037 0.241 0.000 0.620 320 A CB -0.795 18.422 19.000 0.361 0.000 0.822 320 A HN 0.432 nan 8.150 nan 0.000 0.443 321 E N -0.521 119.606 120.200 -0.122 0.000 2.031 321 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 321 E C 2.217 178.706 176.600 -0.185 0.000 0.994 321 E CA 1.211 57.511 56.400 -0.167 0.000 0.800 321 E CB -1.331 28.219 29.700 -0.250 0.000 0.752 321 E HN 0.644 nan 8.360 nan 0.000 0.447 322 C N 0.076 119.219 119.300 -0.261 0.000 2.396 322 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 322 C C 2.181 176.766 174.990 -0.675 0.000 1.231 322 C CA 0.813 59.547 59.018 -0.474 0.000 1.775 322 C CB -1.196 26.196 27.740 -0.580 0.000 2.036 322 C HN 0.285 nan 8.230 nan 0.000 0.484 323 F N 0.132 119.870 119.950 -0.353 0.000 2.682 323 F HA 0.324 4.851 4.527 -0.000 0.000 0.308 323 F C 2.071 177.814 175.800 -0.095 0.000 1.093 323 F CA 0.313 58.121 58.000 -0.320 0.000 1.244 323 F CB -0.600 37.991 39.000 -0.680 0.000 1.052 323 F HN 0.159 nan 8.300 nan 0.000 0.573 324 R N 1.721 122.260 120.500 0.064 0.000 2.103 324 R HA -0.239 4.101 4.340 -0.000 0.000 0.242 324 R C 2.066 178.401 176.300 0.057 0.000 1.142 324 R CA 2.303 58.454 56.100 0.085 0.000 0.960 324 R CB -0.451 29.864 30.300 0.024 0.000 0.858 324 R HN 0.485 nan 8.270 nan 0.000 0.439 325 Q N 0.663 120.468 119.800 0.009 0.000 2.541 325 Q HA -0.036 4.303 4.340 -0.000 0.000 0.215 325 Q C 0.798 176.817 176.000 0.031 0.000 0.977 325 Q CA 1.225 57.029 55.803 0.002 0.000 0.934 325 Q CB 0.364 29.081 28.738 -0.036 0.000 0.988 325 Q HN 0.424 nan 8.270 nan 0.000 0.521 326 V N -2.904 117.059 119.914 0.081 0.000 2.988 326 V HA 0.363 4.483 4.120 -0.000 0.000 0.356 326 V C -0.507 175.661 176.094 0.123 0.000 1.380 326 V CA -0.491 61.869 62.300 0.101 0.000 1.184 326 V CB -0.399 31.509 31.823 0.141 0.000 1.204 326 V HN 0.237 nan 8.190 nan 0.000 0.530 327 N N -0.074 118.688 118.700 0.103 0.000 2.818 327 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 327 N C -0.490 175.089 175.510 0.115 0.000 1.108 327 N CA 1.188 54.286 53.050 0.081 0.000 0.745 327 N CB -1.858 36.663 38.487 0.056 0.000 1.104 327 N HN 0.847 nan 8.380 nan 0.000 0.557 328 F N 1.538 121.501 119.950 0.020 0.000 2.438 328 F HA 0.341 4.868 4.527 -0.000 0.000 0.356 328 F C 0.500 176.239 175.800 -0.102 0.000 1.099 328 F CA -0.849 57.142 58.000 -0.014 0.000 1.185 328 F CB 0.664 39.664 39.000 0.001 0.000 1.115 328 F HN -0.001 nan 8.300 nan 0.000 0.526 329 D N 4.659 124.495 120.400 -0.939 0.000 2.373 329 D HA 0.103 4.743 4.640 -0.000 0.000 0.227 329 D C 0.844 176.496 176.300 -1.080 0.000 1.091 329 D CA -0.465 53.104 54.000 -0.718 0.000 0.840 329 D CB 0.499 41.033 40.800 -0.444 0.000 1.060 329 D HN 0.682 nan 8.370 nan 0.000 0.502 330 N N 3.606 121.901 118.700 -0.675 0.000 2.417 330 N HA -0.222 4.518 4.740 -0.000 0.000 0.187 330 N C 0.928 176.156 175.510 -0.470 0.000 1.027 330 N CA 0.934 53.632 53.050 -0.586 0.000 0.891 330 N CB 0.125 38.538 38.487 -0.123 0.000 0.956 330 N HN 0.167 nan 8.380 nan 0.000 0.442 331 K N -0.168 120.013 120.400 -0.366 0.000 2.439 331 K HA 0.006 4.326 4.320 -0.000 0.000 0.197 331 K C 1.554 178.007 176.600 -0.245 0.000 1.041 331 K CA 1.244 57.400 56.287 -0.218 0.000 0.970 331 K CB -0.551 31.858 32.500 -0.153 0.000 0.773 331 K HN 0.650 nan 8.250 nan 0.000 0.479 332 T N -1.148 113.135 114.554 -0.452 0.000 3.035 332 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 332 T C 1.121 175.700 174.700 -0.203 0.000 1.109 332 T CA 0.006 61.874 62.100 -0.387 0.000 1.119 332 T CB -0.250 68.239 68.868 -0.631 0.000 0.900 332 T HN -0.197 nan 8.240 nan 0.000 0.503 336 C N -0.394 118.867 119.300 -0.065 0.000 3.044 336 C HA 0.920 5.380 4.460 -0.000 0.000 0.315 336 C C -1.304 173.605 174.990 -0.135 0.000 1.320 336 C CA -1.025 57.853 59.018 -0.234 0.000 1.582 336 C CB 1.697 29.109 27.740 -0.547 0.000 2.039 336 C HN 0.685 nan 8.230 nan 0.000 0.466 337 Y N 0.150 120.235 120.300 -0.358 0.000 2.524 337 Y HA 0.820 5.370 4.550 -0.000 0.000 0.347 337 Y C -0.096 175.674 175.900 -0.217 0.000 1.005 337 Y CA 0.460 58.429 58.100 -0.218 0.000 1.025 337 Y CB 1.922 40.286 38.460 -0.161 0.000 1.275 337 Y HN 1.562 nan 8.280 nan 0.000 0.460 338 G N 3.891 112.154 108.800 -0.895 0.000 2.368 338 G HA2 0.528 4.488 3.960 -0.000 0.000 0.293 338 G HA3 0.528 4.488 3.960 -0.000 0.000 0.293 338 G C -2.435 172.127 174.900 -0.563 0.000 1.467 338 G CA -0.492 44.168 45.100 -0.733 0.000 0.804 338 G HN 1.174 nan 8.290 nan 0.000 0.535 339 L N -2.342 118.672 121.223 -0.347 0.000 2.469 339 L HA 0.864 5.204 4.340 -0.000 0.000 0.256 339 L C 1.107 177.929 176.870 -0.079 0.000 1.006 339 L CA -0.577 54.162 54.840 -0.169 0.000 0.832 339 L CB 1.514 43.500 42.059 -0.121 0.000 1.421 339 L HN 1.068 nan 8.230 nan 0.000 0.410 340 A N 0.184 122.995 122.820 -0.016 0.000 1.972 340 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 340 A C 1.663 179.255 177.584 0.014 0.000 1.169 340 A CA 1.825 53.880 52.037 0.029 0.000 0.635 340 A CB -0.692 18.349 19.000 0.069 0.000 0.810 340 A HN 0.959 nan 8.150 nan 0.000 0.446 341 E N -0.114 120.085 120.200 -0.001 0.000 2.396 341 E HA -0.109 4.241 4.350 -0.000 0.000 0.200 341 E C 1.226 177.798 176.600 -0.047 0.000 1.023 341 E CA 0.849 57.225 56.400 -0.040 0.000 0.857 341 E CB -0.204 29.486 29.700 -0.017 0.000 0.775 341 E HN 0.707 nan 8.360 nan 0.000 0.525 342 N N -1.511 117.169 118.700 -0.033 0.000 2.416 342 N HA 0.196 4.936 4.740 -0.000 0.000 0.267 342 N C 0.111 175.619 175.510 -0.004 0.000 1.294 342 N CA 0.521 53.559 53.050 -0.020 0.000 0.891 342 N CB 0.332 38.802 38.487 -0.027 0.000 1.238 342 N HN 0.081 nan 8.380 nan 0.000 0.508 343 A N 0.223 123.049 122.820 0.010 0.000 1.345 343 A HA -0.256 4.064 4.320 -0.000 0.000 0.221 343 A C 0.719 178.340 177.584 0.061 0.000 0.422 343 A CA 1.721 53.796 52.037 0.063 0.000 1.098 343 A CB -1.344 17.696 19.000 0.066 0.000 1.468 343 A HN 0.406 nan 8.150 nan 0.000 0.722 344 L N -3.889 117.342 121.223 0.014 0.000 1.848 344 L HA 0.575 4.915 4.340 -0.000 0.000 0.113 344 L C 0.746 177.569 176.870 -0.080 0.000 1.456 344 L CA 0.634 55.467 54.840 -0.011 0.000 1.065 344 L CB -0.127 41.947 42.059 0.025 0.000 2.149 344 L HN 1.270 nan 8.230 nan 0.000 0.462 345 A N -0.126 122.663 122.820 -0.052 0.000 2.303 345 A HA 0.569 4.889 4.320 -0.000 0.000 0.317 345 A C 0.245 177.741 177.584 -0.147 0.000 1.149 345 A CA -0.154 51.810 52.037 -0.121 0.000 0.822 345 A CB 1.749 20.782 19.000 0.056 0.000 1.131 345 A HN 0.136 nan 8.150 nan 0.000 0.493 346 V N 0.753 120.535 119.914 -0.220 0.000 3.137 346 V HA 0.190 4.310 4.120 -0.000 0.000 0.236 346 V C 0.727 176.815 176.094 -0.011 0.000 1.260 346 V CA 1.451 63.688 62.300 -0.105 0.000 1.244 346 V CB 0.518 32.279 31.823 -0.103 0.000 1.016 346 V HN 1.142 nan 8.190 nan 0.000 0.477 347 S N -0.720 114.929 115.700 -0.085 0.000 2.570 347 S HA 0.775 5.245 4.470 -0.000 0.000 0.270 347 S C -1.492 172.959 174.600 -0.248 0.000 1.149 347 S CA -0.506 57.691 58.200 -0.005 0.000 0.837 347 S CB 2.253 65.501 63.200 0.081 0.000 1.124 347 S HN 0.012 nan 8.310 nan 0.000 0.465 348 F N 1.166 121.148 119.950 0.052 0.000 2.561 348 F HA 0.638 5.165 4.527 -0.000 0.000 0.313 348 F C 0.722 176.543 175.800 0.035 0.000 1.126 348 F CA -0.538 57.486 58.000 0.041 0.000 0.918 348 F CB 2.326 41.347 39.000 0.036 0.000 1.199 348 F HN 0.811 nan 8.300 nan 0.000 0.444 349 S N 1.610 117.400 115.700 0.150 0.000 2.569 349 S HA 0.027 4.497 4.470 -0.000 0.000 0.274 349 S C -0.006 174.654 174.600 0.099 0.000 1.353 349 S CA -0.634 57.598 58.200 0.054 0.000 1.023 349 S CB 0.245 63.434 63.200 -0.018 0.000 0.876 349 S HN 0.557 nan 8.310 nan 0.000 0.540 350 D N 1.943 122.367 120.400 0.039 0.000 2.419 350 D HA 0.056 4.696 4.640 -0.000 0.000 0.236 350 D C 0.361 176.685 176.300 0.039 0.000 1.165 350 D CA 0.331 54.366 54.000 0.058 0.000 0.882 350 D CB 0.231 41.055 40.800 0.041 0.000 1.201 350 D HN 0.655 nan 8.370 nan 0.000 0.443 351 E N -0.027 120.190 120.200 0.030 0.000 2.452 351 E HA 0.143 4.493 4.350 -0.000 0.000 0.261 351 E C 0.228 176.827 176.600 -0.002 0.000 0.987 351 E CA 0.122 56.528 56.400 0.009 0.000 0.926 351 E CB 0.318 30.013 29.700 -0.008 0.000 0.934 351 E HN 0.502 nan 8.360 nan 0.000 0.452 352 A N 2.853 125.666 122.820 -0.013 0.000 2.826 352 A HA -0.278 4.041 4.320 -0.000 0.000 0.274 352 A C 1.381 178.947 177.584 -0.030 0.000 1.443 352 A CA 1.420 53.437 52.037 -0.034 0.000 0.833 352 A CB -2.445 16.534 19.000 -0.034 0.000 1.023 352 A HN 0.741 nan 8.150 nan 0.000 0.600 353 S N -1.293 114.399 115.700 -0.014 0.000 2.404 353 S HA 0.436 4.906 4.470 -0.000 0.000 0.223 353 S C 2.139 176.739 174.600 -0.000 0.000 1.040 353 S CA 1.292 59.485 58.200 -0.013 0.000 0.957 353 S CB -0.520 62.668 63.200 -0.020 0.000 0.826 353 S HN 2.684 nan 8.310 nan 0.000 0.491 354 G N 0.637 109.452 108.800 0.025 0.000 2.750 354 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.228 354 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.228 354 G C -0.462 174.503 174.900 0.108 0.000 1.367 354 G CA -0.523 44.634 45.100 0.095 0.000 0.871 354 G HN 1.039 nan 8.290 nan 0.000 0.560 355 V N 0.405 120.416 119.914 0.161 0.000 2.446 355 V HA 0.363 4.482 4.120 -0.000 0.000 0.276 355 V C 1.009 177.124 176.094 0.034 0.000 1.030 355 V CA -0.091 62.252 62.300 0.072 0.000 1.033 355 V CB 0.817 32.680 31.823 0.066 0.000 0.993 355 V HN 0.798 nan 8.190 nan 0.000 0.477 356 V N 6.517 126.425 119.914 -0.010 0.000 2.472 356 V HA 0.610 4.730 4.120 -0.000 0.000 0.290 356 V C 0.050 176.172 176.094 0.048 0.000 1.037 356 V CA -0.435 61.860 62.300 -0.009 0.000 0.908 356 V CB 1.765 33.538 31.823 -0.084 0.000 0.985 356 V HN 0.763 nan 8.190 nan 0.000 0.454 357 V N 1.942 121.908 119.914 0.087 0.000 2.864 357 V HA 0.675 4.795 4.120 -0.000 0.000 0.314 357 V C -0.570 175.619 176.094 0.159 0.000 1.073 357 V CA -0.727 61.661 62.300 0.148 0.000 0.956 357 V CB 2.140 33.999 31.823 0.060 0.000 1.023 357 V HN 0.902 nan 8.190 nan 0.000 0.435 358 N N 1.928 120.724 118.700 0.159 0.000 2.442 358 N HA 0.373 5.112 4.740 -0.000 0.000 0.274 358 N C -0.811 174.688 175.510 -0.020 0.000 1.002 358 N CA -0.402 52.634 53.050 -0.023 0.000 0.910 358 N CB 2.052 40.316 38.487 -0.372 0.000 1.244 358 N HN 0.905 nan 8.380 nan 0.000 0.492 359 E N 1.444 121.613 120.200 -0.052 0.000 2.301 359 E HA 0.340 4.690 4.350 -0.000 0.000 0.275 359 E C -0.507 176.038 176.600 -0.091 0.000 1.030 359 E CA -0.654 55.690 56.400 -0.093 0.000 0.852 359 E CB 1.792 31.438 29.700 -0.091 0.000 1.060 359 E HN 0.409 nan 8.360 nan 0.000 0.401 360 V N -0.296 119.546 119.914 -0.120 0.000 2.808 360 V HA 0.293 4.413 4.120 -0.000 0.000 0.308 360 V C -0.380 175.650 176.094 -0.107 0.000 1.099 360 V CA -1.244 60.992 62.300 -0.106 0.000 0.920 360 V CB 1.961 33.731 31.823 -0.088 0.000 1.014 360 V HN 0.665 nan 8.190 nan 0.000 0.425 361 D N 3.154 123.505 120.400 -0.082 0.000 2.455 361 D HA -0.030 4.610 4.640 -0.000 0.000 0.265 361 D C 1.184 177.458 176.300 -0.043 0.000 1.284 361 D CA 0.559 54.523 54.000 -0.060 0.000 0.944 361 D CB 0.925 41.699 40.800 -0.042 0.000 1.121 361 D HN 0.814 nan 8.370 nan 0.000 0.525 362 R N 3.567 124.036 120.500 -0.052 0.000 2.083 362 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 362 R C 1.279 177.620 176.300 0.069 0.000 1.137 362 R CA 1.607 57.694 56.100 -0.021 0.000 0.951 362 R CB 0.103 30.377 30.300 -0.043 0.000 0.851 362 R HN 0.462 nan 8.270 nan 0.000 0.434 363 D N 0.236 120.690 120.400 0.089 0.000 2.149 363 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 363 D C 1.894 178.352 176.300 0.263 0.000 0.990 363 D CA 1.418 55.549 54.000 0.219 0.000 0.839 363 D CB -0.059 40.821 40.800 0.133 0.000 0.948 363 D HN 0.373 nan 8.370 nan 0.000 0.460 364 I N 0.333 120.977 120.570 0.123 0.000 2.394 364 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 364 I C 2.366 178.553 176.117 0.116 0.000 1.136 364 I CA 0.256 61.619 61.300 0.105 0.000 1.425 364 I CB -0.015 38.001 38.000 0.027 0.000 1.079 364 I HN -0.018 nan 8.210 nan 0.000 0.425 365 L N 0.815 122.089 121.223 0.086 0.000 2.027 365 L HA -0.193 4.146 4.340 -0.000 0.000 0.206 365 L C 2.387 179.386 176.870 0.215 0.000 1.074 365 L CA 1.923 56.812 54.840 0.082 0.000 0.745 365 L CB -0.401 41.649 42.059 -0.014 0.000 0.898 365 L HN 0.161 nan 8.230 nan 0.000 0.433 366 E N -1.804 118.526 120.200 0.217 0.000 2.150 366 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 366 E C 1.770 178.342 176.600 -0.046 0.000 0.985 366 E CA 1.459 57.942 56.400 0.138 0.000 0.814 366 E CB -0.071 29.624 29.700 -0.008 0.000 0.752 366 E HN 0.587 nan 8.360 nan 0.000 0.466 367 Y N -0.332 120.037 120.300 0.114 0.000 2.524 367 Y HA 0.100 4.650 4.550 -0.000 0.000 0.270 367 Y C 1.759 177.694 175.900 0.059 0.000 1.094 367 Y CA 0.413 58.557 58.100 0.074 0.000 1.276 367 Y CB 0.682 39.172 38.460 0.051 0.000 1.130 367 Y HN -0.081 nan 8.280 nan 0.000 0.536 368 Q N -1.424 118.491 119.800 0.191 0.000 2.211 368 Q HA 0.253 4.593 4.340 -0.000 0.000 0.242 368 Q C 1.275 177.329 176.000 0.091 0.000 0.825 368 Q CA 0.435 56.309 55.803 0.118 0.000 0.951 368 Q CB 1.476 30.266 28.738 0.086 0.000 1.130 368 Q HN 0.408 nan 8.270 nan 0.000 0.496 369 G N 2.088 110.957 108.800 0.115 0.000 2.168 369 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 369 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 369 G C -0.231 174.694 174.900 0.042 0.000 0.997 369 G CA 0.598 45.770 45.100 0.119 0.000 0.708 369 G HN 0.167 nan 8.290 nan 0.000 0.520 370 K N -0.162 120.236 120.400 -0.003 0.000 2.207 370 K HA 0.756 5.076 4.320 -0.000 0.000 0.255 370 K C 0.132 176.630 176.600 -0.169 0.000 0.941 370 K CA -0.114 56.123 56.287 -0.083 0.000 0.825 370 K CB 2.132 34.600 32.500 -0.053 0.000 1.119 370 K HN 0.495 nan 8.250 nan 0.000 0.430 371 A N 2.187 124.805 122.820 -0.338 0.000 2.294 371 A HA 0.478 4.798 4.320 -0.000 0.000 0.316 371 A C -0.304 177.115 177.584 -0.276 0.000 1.359 371 A CA -0.583 51.193 52.037 -0.436 0.000 0.956 371 A CB -0.043 18.322 19.000 -1.057 0.000 1.155 371 A HN 0.548 nan 8.150 nan 0.000 0.544 372 V N 0.519 120.333 119.914 -0.166 0.000 2.960 372 V HA 0.925 5.045 4.120 -0.000 0.000 0.315 372 V C 0.351 176.389 176.094 -0.093 0.000 1.087 372 V CA -0.522 61.712 62.300 -0.111 0.000 0.982 372 V CB 1.361 33.141 31.823 -0.072 0.000 1.039 372 V HN 1.504 nan 8.190 nan 0.000 0.437 373 A N 4.366 127.143 122.820 -0.071 0.000 2.462 373 A HA 0.616 4.936 4.320 -0.000 0.000 0.243 373 A C -2.075 175.475 177.584 -0.055 0.000 1.076 373 A CA -1.015 50.986 52.037 -0.060 0.000 0.773 373 A CB -0.556 18.419 19.000 -0.043 0.000 1.010 373 A HN 0.886 nan 8.150 nan 0.000 0.493 374 P HA 0.181 nan 4.420 nan 0.000 0.276 374 P C 0.653 177.928 177.300 -0.043 0.000 1.235 374 P CA 0.344 63.412 63.100 -0.053 0.000 0.772 374 P CB 1.002 32.665 31.700 -0.062 0.000 0.871 375 G N 2.347 111.124 108.800 -0.038 0.000 2.803 375 G HA2 0.286 4.246 3.960 -0.000 0.000 0.177 375 G HA3 0.286 4.246 3.960 -0.000 0.000 0.177 375 G C 0.926 175.807 174.900 -0.032 0.000 1.629 375 G CA 0.507 45.588 45.100 -0.032 0.000 1.077 375 G HN 0.483 nan 8.290 nan 0.000 0.556 376 A N -2.266 120.537 122.820 -0.029 0.000 2.026 376 A HA 0.517 4.837 4.320 -0.000 0.000 0.201 376 A C 1.937 179.504 177.584 -0.029 0.000 1.318 376 A CA 1.407 53.427 52.037 -0.028 0.000 0.857 376 A CB -0.384 18.602 19.000 -0.023 0.000 0.939 376 A HN 0.802 nan 8.150 nan 0.000 0.476 377 E N 0.449 120.632 120.200 -0.029 0.000 2.382 377 E HA 0.274 4.624 4.350 -0.000 0.000 0.190 377 E C 0.237 176.816 176.600 -0.035 0.000 1.125 377 E CA 0.473 56.855 56.400 -0.030 0.000 0.929 377 E CB -1.150 28.533 29.700 -0.028 0.000 1.053 377 E HN 0.334 nan 8.360 nan 0.000 0.475 378 T N 0.693 115.225 114.554 -0.037 0.000 2.749 378 T HA 0.281 4.631 4.350 -0.000 0.000 0.295 378 T C 1.121 175.793 174.700 -0.047 0.000 0.936 378 T CA -0.538 61.536 62.100 -0.042 0.000 1.060 378 T CB 1.109 69.950 68.868 -0.046 0.000 0.904 378 T HN 0.346 nan 8.240 nan 0.000 0.500 379 R N 2.017 122.487 120.500 -0.049 0.000 2.052 379 R HA 0.231 4.571 4.340 -0.000 0.000 0.224 379 R C 0.935 177.191 176.300 -0.073 0.000 1.165 379 R CA 0.593 56.659 56.100 -0.056 0.000 0.939 379 R CB -0.002 30.267 30.300 -0.053 0.000 0.834 379 R HN 0.638 nan 8.270 nan 0.000 0.435 380 A N 0.652 123.423 122.820 -0.081 0.000 2.337 380 A HA 0.596 4.916 4.320 -0.000 0.000 0.331 380 A C -0.956 176.564 177.584 -0.107 0.000 1.137 380 A CA -0.477 51.493 52.037 -0.111 0.000 0.807 380 A CB 1.909 20.821 19.000 -0.147 0.000 1.250 380 A HN 0.061 nan 8.150 nan 0.000 0.468 381 V N 1.141 120.975 119.914 -0.133 0.000 2.686 381 V HA 0.492 4.612 4.120 -0.000 0.000 0.306 381 V C -0.052 175.912 176.094 -0.216 0.000 1.065 381 V CA -0.466 61.744 62.300 -0.151 0.000 0.894 381 V CB 2.101 33.845 31.823 -0.131 0.000 1.004 381 V HN 0.919 nan 8.190 nan 0.000 0.424 382 S N 2.250 117.784 115.700 -0.277 0.000 2.525 382 S HA 0.652 5.122 4.470 -0.000 0.000 0.290 382 S C -0.117 174.151 174.600 -0.554 0.000 1.152 382 S CA -0.463 57.456 58.200 -0.468 0.000 1.072 382 S CB 1.616 64.443 63.200 -0.621 0.000 1.027 382 S HN 0.787 nan 8.310 nan 0.000 0.500 383 T N 3.638 117.835 114.554 -0.595 0.000 2.809 383 T HA 0.495 4.845 4.350 -0.000 0.000 0.296 383 T C -0.972 173.459 174.700 -0.448 0.000 1.015 383 T CA -0.265 61.592 62.100 -0.404 0.000 0.954 383 T CB -0.090 68.646 68.868 -0.221 0.000 0.950 383 T HN 0.305 nan 8.240 nan 0.000 0.450 384 F N 1.740 121.704 119.950 0.023 0.000 2.422 384 F HA 0.513 5.039 4.527 -0.000 0.000 0.333 384 F C 0.445 176.348 175.800 0.172 0.000 1.095 384 F CA -1.277 56.775 58.000 0.086 0.000 1.038 384 F CB 0.978 40.063 39.000 0.143 0.000 1.156 384 F HN 0.167 nan 8.300 nan 0.000 0.483 385 V N 3.185 123.264 119.914 0.274 0.000 2.530 385 V HA 0.070 4.190 4.120 -0.000 0.000 0.282 385 V C 0.351 176.404 176.094 -0.068 0.000 1.048 385 V CA -0.843 61.523 62.300 0.110 0.000 0.997 385 V CB 0.930 32.760 31.823 0.011 0.000 0.987 385 V HN 0.680 nan 8.190 nan 0.000 0.477 386 N N 3.479 122.053 118.700 -0.210 0.000 2.438 386 N HA 0.021 4.761 4.740 -0.000 0.000 0.267 386 N C 0.384 175.625 175.510 -0.448 0.000 1.222 386 N CA 0.038 52.649 53.050 -0.731 0.000 0.930 386 N CB 1.004 39.201 38.487 -0.483 0.000 1.083 386 N HN 0.755 nan 8.380 nan 0.000 0.476 387 C N 2.593 121.610 119.300 -0.472 0.000 2.906 387 C HA 0.443 4.903 4.460 -0.000 0.000 0.274 387 C C 1.105 176.036 174.990 -0.098 0.000 1.257 387 C CA 0.366 59.247 59.018 -0.229 0.000 1.695 387 C CB -1.365 26.246 27.740 -0.216 0.000 1.958 387 C HN 0.939 nan 8.230 nan 0.000 0.619 388 G N 1.223 109.995 108.800 -0.047 0.000 2.592 388 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.684 388 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.684 388 G C -1.019 174.044 174.900 0.271 0.000 1.291 388 G CA -0.903 44.323 45.100 0.210 0.000 0.891 388 G HN 0.371 nan 8.290 nan 0.000 0.544 389 K N 0.174 120.715 120.400 0.235 0.000 2.132 389 K HA 0.751 5.071 4.320 -0.000 0.000 0.241 389 K C 0.906 177.557 176.600 0.086 0.000 1.000 389 K CA -0.114 56.207 56.287 0.056 0.000 0.911 389 K CB 1.416 33.854 32.500 -0.104 0.000 1.093 389 K HN 1.276 nan 8.250 nan 0.000 0.460 390 A N 1.327 124.190 122.820 0.071 0.000 2.536 390 A HA 0.051 4.371 4.320 -0.000 0.000 0.234 390 A C -0.034 177.614 177.584 0.106 0.000 1.076 390 A CA 0.044 52.143 52.037 0.104 0.000 0.769 390 A CB -0.212 18.859 19.000 0.118 0.000 1.020 390 A HN 0.566 nan 8.150 nan 0.000 0.508 391 L N 1.816 123.105 121.223 0.109 0.000 2.395 391 L HA 0.315 4.655 4.340 -0.000 0.000 0.269 391 L C -1.963 175.009 176.870 0.171 0.000 1.133 391 L CA -1.828 53.067 54.840 0.092 0.000 0.812 391 L CB 0.798 42.812 42.059 -0.075 0.000 1.125 391 L HN 0.434 nan 8.230 nan 0.000 0.452 392 P HA -0.013 nan 4.420 nan 0.000 0.261 392 P C -0.259 177.172 177.300 0.219 0.000 1.183 392 P CA 0.450 63.634 63.100 0.139 0.000 0.761 392 P CB 0.360 32.123 31.700 0.105 0.000 0.785 393 E N -0.828 119.436 120.200 0.108 0.000 4.217 393 E HA -0.180 4.170 4.350 -0.000 0.000 0.365 393 E C -0.033 176.442 176.600 -0.208 0.000 0.647 393 E CA 0.599 56.979 56.400 -0.033 0.000 1.399 393 E CB -1.273 28.386 29.700 -0.068 0.000 1.766 393 E HN 0.713 nan 8.360 nan 0.000 0.394 394 H N -0.689 118.370 119.070 -0.017 0.000 2.679 394 H HA 0.618 5.174 4.556 -0.000 0.000 0.367 394 H C 0.370 175.697 175.328 -0.002 0.000 1.162 394 H CA -0.196 55.835 56.048 -0.029 0.000 1.181 394 H CB 2.168 31.933 29.762 0.004 0.000 1.693 394 H HN 0.099 nan 8.280 nan 0.000 0.538 395 G N 1.168 110.019 108.800 0.085 0.000 2.495 395 G HA2 0.575 4.535 3.960 -0.000 0.000 0.318 395 G HA3 0.575 4.535 3.960 -0.000 0.000 0.318 395 G C -0.888 174.181 174.900 0.281 0.000 1.257 395 G CA -0.554 44.642 45.100 0.161 0.000 0.962 395 G HN 0.477 nan 8.290 nan 0.000 0.483 396 I N 0.884 121.624 120.570 0.282 0.000 2.466 396 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 396 I C -0.466 175.787 176.117 0.227 0.000 1.026 396 I CA -0.532 60.933 61.300 0.275 0.000 1.078 396 I CB 2.397 40.504 38.000 0.178 0.000 1.249 396 I HN 0.442 nan 8.210 nan 0.000 0.429 397 E N 6.031 126.343 120.200 0.185 0.000 2.293 397 E HA 0.494 4.844 4.350 -0.000 0.000 0.270 397 E C -1.353 175.243 176.600 -0.007 0.000 0.879 397 E CA -0.788 55.625 56.400 0.022 0.000 0.756 397 E CB 2.234 31.815 29.700 -0.199 0.000 1.208 397 E HN 0.367 nan 8.360 nan 0.000 0.428 398 I N 4.177 124.746 120.570 -0.002 0.000 2.306 398 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 398 I C 0.140 176.248 176.117 -0.014 0.000 1.036 398 I CA -0.199 61.115 61.300 0.022 0.000 1.221 398 I CB 0.370 38.406 38.000 0.060 0.000 1.385 398 I HN 0.429 nan 8.210 nan 0.000 0.472 399 R N 4.299 124.784 120.500 -0.026 0.000 2.787 399 R HA 0.434 4.774 4.340 -0.000 0.000 0.271 399 R C 0.054 176.320 176.300 -0.056 0.000 0.993 399 R CA -0.825 55.227 56.100 -0.081 0.000 0.993 399 R CB 1.510 31.710 30.300 -0.167 0.000 1.155 399 R HN 0.605 nan 8.270 nan 0.000 0.486 400 N N -0.286 118.358 118.700 -0.095 0.000 2.495 400 N HA 0.008 4.748 4.740 -0.000 0.000 0.294 400 N C 0.502 175.835 175.510 -0.294 0.000 1.276 400 N CA -0.541 52.451 53.050 -0.096 0.000 0.973 400 N CB 0.302 38.767 38.487 -0.036 0.000 1.143 400 N HN 0.630 nan 8.380 nan 0.000 0.589 401 E N -1.032 119.030 120.200 -0.230 0.000 2.106 401 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 401 E C 1.728 178.217 176.600 -0.185 0.000 0.984 401 E CA 1.359 57.594 56.400 -0.276 0.000 0.806 401 E CB -0.403 29.253 29.700 -0.073 0.000 0.750 401 E HN 0.653 nan 8.360 nan 0.000 0.458 402 A N 0.246 122.995 122.820 -0.118 0.000 2.019 402 A HA 0.182 4.502 4.320 -0.000 0.000 0.219 402 A C 1.195 178.717 177.584 -0.104 0.000 1.164 402 A CA 1.388 53.372 52.037 -0.088 0.000 0.644 402 A CB -0.543 18.421 19.000 -0.060 0.000 0.805 402 A HN 0.443 nan 8.150 nan 0.000 0.449 406 V N -0.865 119.034 119.914 -0.025 0.000 2.769 406 V HA 0.981 5.101 4.120 -0.000 0.000 0.312 406 V C 0.432 176.533 176.094 0.012 0.000 1.058 406 V CA -0.743 61.555 62.300 -0.002 0.000 0.952 406 V CB 1.587 33.417 31.823 0.012 0.000 1.019 406 V HN 0.886 nan 8.190 nan 0.000 0.445 407 A N 2.176 125.004 122.820 0.014 0.000 2.492 407 A HA 0.269 4.589 4.320 -0.000 0.000 0.236 407 A C 0.507 178.112 177.584 0.036 0.000 1.078 407 A CA -0.064 51.985 52.037 0.020 0.000 0.773 407 A CB -0.348 18.660 19.000 0.013 0.000 1.023 407 A HN 0.995 nan 8.150 nan 0.000 0.504 408 E N -0.232 119.995 120.200 0.045 0.000 2.467 408 E HA 0.064 4.414 4.350 -0.000 0.000 0.264 408 E C 0.449 177.083 176.600 0.057 0.000 1.020 408 E CA 0.565 57.009 56.400 0.074 0.000 0.945 408 E CB 0.157 29.902 29.700 0.075 0.000 0.942 408 E HN 0.673 nan 8.360 nan 0.000 0.449 409 R N -1.136 119.421 120.500 0.094 0.000 3.746 409 R HA -0.190 4.150 4.340 -0.000 0.000 0.465 409 R C -0.343 175.890 176.300 -0.112 0.000 0.725 409 R CA 0.770 56.833 56.100 -0.061 0.000 1.545 409 R CB -1.582 28.665 30.300 -0.088 0.000 2.197 409 R HN 0.317 nan 8.270 nan 0.000 0.438 410 V N 2.394 122.307 119.914 -0.003 0.000 2.530 410 V HA 0.228 4.348 4.120 -0.000 0.000 0.282 410 V C 1.003 177.136 176.094 0.065 0.000 1.048 410 V CA -0.224 62.081 62.300 0.009 0.000 0.997 410 V CB 1.664 33.504 31.823 0.027 0.000 0.987 410 V HN -0.032 nan 8.190 nan 0.000 0.477 411 V N 4.365 124.316 119.914 0.063 0.000 2.607 411 V HA 0.842 4.962 4.120 -0.000 0.000 0.289 411 V C 0.790 176.972 176.094 0.146 0.000 1.053 411 V CA 0.720 63.099 62.300 0.133 0.000 0.996 411 V CB 0.944 32.861 31.823 0.157 0.000 0.995 411 V HN 1.153 nan 8.190 nan 0.000 0.476 412 G N 2.368 111.264 108.800 0.159 0.000 2.554 412 G HA2 0.460 4.419 3.960 -0.000 0.000 0.306 412 G HA3 0.460 4.419 3.960 -0.000 0.000 0.306 412 G C -1.638 173.390 174.900 0.213 0.000 1.320 412 G CA -0.904 44.323 45.100 0.212 0.000 0.800 412 G HN 0.617 nan 8.290 nan 0.000 0.481 413 H N 0.003 119.093 119.070 0.034 0.000 2.899 413 H HA 0.371 4.927 4.556 -0.000 0.000 0.303 413 H C 0.589 175.937 175.328 0.034 0.000 1.042 413 H CA -0.169 55.902 56.048 0.037 0.000 1.479 413 H CB 0.540 30.318 29.762 0.026 0.000 1.493 413 H HN 0.300 nan 8.280 nan 0.000 0.534 414 I N 3.689 124.341 120.570 0.137 0.000 2.517 414 I HA 0.007 4.176 4.170 -0.000 0.000 0.285 414 I C -0.070 176.152 176.117 0.175 0.000 1.106 414 I CA 0.274 61.647 61.300 0.121 0.000 1.402 414 I CB 0.130 38.179 38.000 0.082 0.000 1.399 414 I HN 0.474 nan 8.210 nan 0.000 0.535 415 C N 7.611 127.010 119.300 0.165 0.000 2.379 415 C HA 0.650 5.110 4.460 -0.000 0.000 0.323 415 C C 0.096 175.350 174.990 0.439 0.000 1.262 415 C CA -0.711 58.441 59.018 0.223 0.000 1.581 415 C CB 0.711 28.456 27.740 0.007 0.000 2.221 415 C HN 0.667 nan 8.230 nan 0.000 0.497 416 I N 1.565 122.439 120.570 0.507 0.000 2.646 416 I HA 0.910 5.080 4.170 -0.000 0.000 0.299 416 I C -0.207 176.031 176.117 0.202 0.000 1.036 416 I CA -0.021 61.530 61.300 0.419 0.000 1.074 416 I CB 2.148 40.289 38.000 0.235 0.000 1.258 416 I HN 0.654 nan 8.210 nan 0.000 0.430 417 S N 3.095 118.678 115.700 -0.194 0.000 2.661 417 S HA 1.052 5.521 4.470 -0.000 0.000 0.285 417 S C -0.252 174.163 174.600 -0.308 0.000 1.138 417 S CA -0.241 57.617 58.200 -0.571 0.000 0.855 417 S CB 1.658 63.950 63.200 -1.512 0.000 1.136 417 S HN 1.999 nan 8.310 nan 0.000 0.484 418 G N 0.552 109.135 108.800 -0.362 0.000 2.347 418 G HA2 0.262 4.222 3.960 -0.000 0.000 0.477 418 G HA3 0.262 4.222 3.960 -0.000 0.000 0.477 418 G C -2.998 171.689 174.900 -0.355 0.000 1.349 418 G CA -0.284 44.536 45.100 -0.466 0.000 1.000 418 G HN 0.547 nan 8.290 nan 0.000 0.605 419 P HA 0.071 nan 4.420 nan 0.000 0.220 419 P C 1.671 178.957 177.300 -0.023 0.000 1.148 419 P CA 1.624 64.615 63.100 -0.182 0.000 0.803 419 P CB 0.162 31.767 31.700 -0.157 0.000 0.782 420 S N -0.931 114.862 115.700 0.156 0.000 2.607 420 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 420 S C 0.856 175.486 174.600 0.050 0.000 0.969 420 S CA -0.028 58.268 58.200 0.159 0.000 0.927 420 S CB -0.659 62.681 63.200 0.234 0.000 0.772 420 S HN 0.017 nan 8.310 nan 0.000 0.533 424 G N 0.692 109.376 108.800 -0.193 0.000 2.325 424 G HA2 0.265 4.225 3.960 -0.000 0.000 0.285 424 G HA3 0.265 4.225 3.960 -0.000 0.000 0.285 424 G C -2.076 172.641 174.900 -0.305 0.000 1.303 424 G CA -0.974 43.972 45.100 -0.256 0.000 0.970 424 G HN 0.113 nan 8.290 nan 0.000 0.490 425 Y N -0.397 119.900 120.300 -0.005 0.000 2.308 425 Y HA 0.615 5.165 4.550 -0.000 0.000 0.329 425 Y C 0.676 176.596 175.900 0.034 0.000 1.111 425 Y CA -0.704 57.393 58.100 -0.005 0.000 1.179 425 Y CB 1.230 39.684 38.460 -0.010 0.000 1.201 425 Y HN 0.524 nan 8.280 nan 0.000 0.483 426 F N 2.270 122.259 119.950 0.064 0.000 2.578 426 F HA 0.361 4.888 4.527 -0.000 0.000 0.376 426 F C 1.271 177.118 175.800 0.079 0.000 1.085 426 F CA 1.406 59.428 58.000 0.038 0.000 1.260 426 F CB 0.382 39.390 39.000 0.014 0.000 1.095 426 F HN 0.784 nan 8.300 nan 0.000 0.573 427 G N 3.464 112.034 108.800 -0.383 0.000 2.205 427 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.261 427 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.261 427 G C -0.171 174.693 174.900 -0.060 0.000 0.980 427 G CA 0.250 45.227 45.100 -0.206 0.000 0.632 427 G HN 0.785 nan 8.290 nan 0.000 0.533 428 D N 0.152 120.550 120.400 -0.003 0.000 2.460 428 D HA 0.554 5.193 4.640 -0.000 0.000 0.232 428 D C 1.263 177.580 176.300 0.028 0.000 1.079 428 D CA -0.581 53.456 54.000 0.062 0.000 0.864 428 D CB 1.312 42.213 40.800 0.169 0.000 1.048 428 D HN 0.095 nan 8.370 nan 0.000 0.523 429 Q N 2.522 122.324 119.800 0.003 0.000 2.049 429 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 429 Q C 1.684 177.691 176.000 0.011 0.000 0.971 429 Q CA 1.163 56.959 55.803 -0.012 0.000 0.833 429 Q CB -0.209 28.516 28.738 -0.022 0.000 0.896 429 Q HN 0.409 nan 8.270 nan 0.000 0.434 430 V N 0.735 120.667 119.914 0.030 0.000 2.332 430 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 430 V C 2.369 178.493 176.094 0.049 0.000 1.055 430 V CA 2.013 64.335 62.300 0.038 0.000 1.038 430 V CB -1.001 30.849 31.823 0.045 0.000 0.651 430 V HN 0.622 nan 8.190 nan 0.000 0.450 431 S N -0.058 115.689 115.700 0.078 0.000 2.370 431 S HA -0.343 4.127 4.470 -0.000 0.000 0.226 431 S C 1.886 176.494 174.600 0.014 0.000 1.033 431 S CA 1.939 60.188 58.200 0.082 0.000 1.011 431 S CB -0.559 62.745 63.200 0.172 0.000 0.852 431 S HN 0.720 nan 8.310 nan 0.000 0.457 432 Q N 0.756 120.555 119.800 -0.002 0.000 2.119 432 Q HA -0.068 4.272 4.340 -0.000 0.000 0.201 432 Q C 1.672 177.660 176.000 -0.020 0.000 0.972 432 Q CA 1.406 57.190 55.803 -0.030 0.000 0.847 432 Q CB -0.240 28.476 28.738 -0.037 0.000 0.903 432 Q HN 0.551 nan 8.270 nan 0.000 0.433 433 D N 0.675 121.072 120.400 -0.005 0.000 2.149 433 D HA -0.111 4.528 4.640 -0.000 0.000 0.201 433 D C 1.439 177.742 176.300 0.006 0.000 0.972 433 D CA 0.959 54.958 54.000 -0.002 0.000 0.835 433 D CB 0.074 40.875 40.800 0.003 0.000 0.966 433 D HN 0.288 nan 8.370 nan 0.000 0.476 434 E N -0.084 120.126 120.200 0.017 0.000 2.107 434 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 434 E C 2.112 178.729 176.600 0.029 0.000 0.982 434 E CA 0.286 56.705 56.400 0.031 0.000 0.809 434 E CB 0.141 29.869 29.700 0.047 0.000 0.756 434 E HN 0.298 nan 8.360 nan 0.000 0.459 435 I N 0.818 121.393 120.570 0.008 0.000 2.676 435 I HA -0.156 4.014 4.170 -0.000 0.000 0.259 435 I C 2.344 178.447 176.117 -0.024 0.000 1.194 435 I CA 0.370 61.666 61.300 -0.007 0.000 1.473 435 I CB -0.127 37.848 38.000 -0.041 0.000 1.096 435 I HN 0.066 nan 8.210 nan 0.000 0.443 436 A N 0.921 123.728 122.820 -0.020 0.000 1.874 436 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 436 A C 2.570 180.147 177.584 -0.012 0.000 1.189 436 A CA 1.393 53.415 52.037 -0.025 0.000 0.615 436 A CB -0.660 18.327 19.000 -0.022 0.000 0.830 436 A HN 0.364 nan 8.150 nan 0.000 0.443 437 A N -0.661 122.162 122.820 0.005 0.000 1.972 437 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 437 A C 2.289 179.896 177.584 0.038 0.000 1.169 437 A CA 2.632 54.680 52.037 0.019 0.000 0.635 437 A CB -0.744 18.272 19.000 0.026 0.000 0.810 437 A HN 0.837 nan 8.150 nan 0.000 0.446 438 T N -6.556 108.031 114.554 0.055 0.000 2.954 438 T HA 0.406 4.756 4.350 -0.000 0.000 0.252 438 T C 1.441 176.180 174.700 0.065 0.000 0.983 438 T CA 1.130 63.304 62.100 0.124 0.000 0.941 438 T CB -0.000 68.989 68.868 0.202 0.000 1.141 438 T HN 1.741 nan 8.240 nan 0.000 0.500 439 G N 0.895 109.672 108.800 -0.038 0.000 2.187 439 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.261 439 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.261 439 G C -0.217 174.472 174.900 -0.352 0.000 1.000 439 G CA 0.310 45.288 45.100 -0.203 0.000 0.718 439 G HN 0.646 nan 8.290 nan 0.000 0.519 440 W N -1.335 119.964 121.300 -0.002 0.000 2.702 440 W HA 0.708 5.368 4.660 -0.000 0.000 0.331 440 W C -0.241 176.287 176.519 0.016 0.000 1.049 440 W CA -1.349 56.003 57.345 0.012 0.000 1.230 440 W CB 1.658 31.128 29.460 0.015 0.000 1.408 440 W HN 0.193 nan 8.180 nan 0.000 0.492 441 L N 3.523 124.954 121.223 0.348 0.000 2.362 441 L HA 0.512 4.851 4.340 -0.000 0.000 0.271 441 L C -0.832 176.183 176.870 0.241 0.000 1.002 441 L CA -0.416 54.556 54.840 0.221 0.000 0.818 441 L CB 1.569 43.706 42.059 0.129 0.000 1.298 441 L HN 0.269 nan 8.230 nan 0.000 0.420 442 D N 1.772 122.285 120.400 0.188 0.000 2.373 442 D HA 0.158 4.798 4.640 -0.000 0.000 0.227 442 D C 0.963 177.371 176.300 0.180 0.000 1.091 442 D CA 0.222 54.334 54.000 0.187 0.000 0.840 442 D CB 1.569 42.475 40.800 0.177 0.000 1.060 442 D HN 0.766 nan 8.370 nan 0.000 0.502 443 T N 0.828 115.493 114.554 0.186 0.000 3.051 443 T HA 0.055 4.405 4.350 -0.000 0.000 0.269 443 T C 1.529 176.321 174.700 0.153 0.000 1.127 443 T CA 0.666 62.870 62.100 0.173 0.000 1.107 443 T CB -0.266 68.734 68.868 0.221 0.000 0.898 443 T HN 0.623 nan 8.240 nan 0.000 0.517 444 G N 1.224 110.106 108.800 0.138 0.000 2.153 444 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.252 444 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.252 444 G C -0.497 174.421 174.900 0.030 0.000 0.994 444 G CA 0.159 45.305 45.100 0.078 0.000 0.698 444 G HN 0.630 nan 8.290 nan 0.000 0.521 445 D N -0.037 120.399 120.400 0.060 0.000 2.256 445 D HA 0.576 5.216 4.640 -0.000 0.000 0.246 445 D C 0.840 177.134 176.300 -0.010 0.000 1.042 445 D CA -0.399 53.631 54.000 0.051 0.000 0.841 445 D CB 1.620 42.500 40.800 0.134 0.000 1.223 445 D HN 0.203 nan 8.370 nan 0.000 0.470 446 L N 1.080 122.300 121.223 -0.006 0.000 2.399 446 L HA 0.731 5.071 4.340 -0.000 0.000 0.266 446 L C 1.130 178.006 176.870 0.011 0.000 1.114 446 L CA -0.151 54.703 54.840 0.023 0.000 0.804 446 L CB 1.334 43.468 42.059 0.125 0.000 1.146 446 L HN 0.525 nan 8.230 nan 0.000 0.451 447 G N 0.515 109.328 108.800 0.022 0.000 2.321 447 G HA2 0.444 4.404 3.960 -0.000 0.000 0.296 447 G HA3 0.444 4.404 3.960 -0.000 0.000 0.296 447 G C -2.216 172.728 174.900 0.074 0.000 1.287 447 G CA -0.465 44.595 45.100 -0.067 0.000 0.846 447 G HN 0.587 nan 8.290 nan 0.000 0.508 448 Y N -2.006 118.254 120.300 -0.068 0.000 2.638 448 Y HA 0.843 5.393 4.550 -0.000 0.000 0.335 448 Y C -1.710 174.231 175.900 0.067 0.000 1.155 448 Y CA -1.711 56.382 58.100 -0.013 0.000 1.046 448 Y CB 1.300 39.728 38.460 -0.053 0.000 1.303 448 Y HN 0.566 nan 8.280 nan 0.000 0.460 449 L N 3.375 124.728 121.223 0.217 0.000 2.317 449 L HA 0.580 4.920 4.340 -0.000 0.000 0.281 449 L C -0.883 176.147 176.870 0.267 0.000 1.024 449 L CA -1.079 53.866 54.840 0.175 0.000 0.810 449 L CB 1.552 43.676 42.059 0.108 0.000 1.240 449 L HN 0.823 nan 8.230 nan 0.000 0.427 450 L N 3.745 125.138 121.223 0.284 0.000 2.504 450 L HA 0.313 4.653 4.340 -0.000 0.000 0.265 450 L C -0.845 176.179 176.870 0.256 0.000 0.975 450 L CA -0.275 54.721 54.840 0.260 0.000 0.864 450 L CB 1.188 43.395 42.059 0.246 0.000 1.212 450 L HN 0.663 nan 8.230 nan 0.000 0.416 451 D N 3.964 124.449 120.400 0.142 0.000 2.723 451 D HA -0.190 4.450 4.640 -0.000 0.000 0.236 451 D C 1.090 177.342 176.300 -0.081 0.000 1.138 451 D CA 1.414 55.460 54.000 0.076 0.000 0.676 451 D CB -0.781 40.114 40.800 0.157 0.000 1.069 451 D HN 1.131 nan 8.370 nan 0.000 0.430 452 G N -1.386 107.369 108.800 -0.075 0.000 2.205 452 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.261 452 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.261 452 G C 0.109 174.862 174.900 -0.245 0.000 0.980 452 G CA 0.498 45.482 45.100 -0.193 0.000 0.632 452 G HN 0.431 nan 8.290 nan 0.000 0.533 453 Y N -0.496 119.850 120.300 0.078 0.000 2.310 453 Y HA 0.646 5.196 4.550 -0.000 0.000 0.326 453 Y C 0.527 176.392 175.900 -0.058 0.000 1.151 453 Y CA -1.205 56.895 58.100 -0.000 0.000 1.195 453 Y CB 1.417 39.883 38.460 0.010 0.000 1.210 453 Y HN 0.193 nan 8.280 nan 0.000 0.483 454 L N 4.575 125.769 121.223 -0.047 0.000 2.265 454 L HA 0.367 4.707 4.340 -0.000 0.000 0.288 454 L C -1.660 174.901 176.870 -0.515 0.000 1.058 454 L CA -0.577 54.146 54.840 -0.196 0.000 0.809 454 L CB -0.240 41.721 42.059 -0.163 0.000 1.179 454 L HN 0.424 nan 8.230 nan 0.000 0.429 455 Y N 4.642 124.632 120.300 -0.517 0.000 2.417 455 Y HA 0.463 5.013 4.550 -0.000 0.000 0.336 455 Y C 0.014 175.528 175.900 -0.643 0.000 0.961 455 Y CA -0.718 56.994 58.100 -0.645 0.000 1.215 455 Y CB 1.373 39.168 38.460 -1.108 0.000 1.120 455 Y HN 0.278 nan 8.280 nan 0.000 0.499 456 V N 3.010 122.689 119.914 -0.392 0.000 2.546 456 V HA 0.172 4.292 4.120 -0.000 0.000 0.284 456 V C 0.832 176.756 176.094 -0.284 0.000 1.050 456 V CA 0.272 62.349 62.300 -0.373 0.000 0.981 456 V CB 1.419 32.981 31.823 -0.435 0.000 0.990 456 V HN 0.957 nan 8.190 nan 0.000 0.474 457 T N 0.041 114.449 114.554 -0.244 0.000 2.959 457 T HA 0.558 4.908 4.350 -0.000 0.000 0.254 457 T C 0.603 175.441 174.700 0.230 0.000 1.003 457 T CA 0.473 62.443 62.100 -0.216 0.000 0.950 457 T CB 0.597 69.117 68.868 -0.580 0.000 1.090 457 T HN 1.478 nan 8.240 nan 0.000 0.503 458 G N 0.877 109.805 108.800 0.214 0.000 2.368 458 G HA2 0.306 4.266 3.960 -0.000 0.000 0.302 458 G HA3 0.306 4.266 3.960 -0.000 0.000 0.302 458 G C -1.651 173.337 174.900 0.146 0.000 1.329 458 G CA -1.316 43.927 45.100 0.238 0.000 0.935 458 G HN 0.427 nan 8.290 nan 0.000 0.590 459 R N -0.452 120.107 120.500 0.099 0.000 2.539 459 R HA 0.477 4.817 4.340 -0.000 0.000 0.275 459 R C 1.494 177.777 176.300 -0.028 0.000 1.077 459 R CA -0.294 55.831 56.100 0.042 0.000 1.097 459 R CB 0.814 31.143 30.300 0.047 0.000 1.018 459 R HN 0.452 nan 8.270 nan 0.000 0.483 460 I N 1.381 121.905 120.570 -0.077 0.000 2.353 460 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 460 I C 2.292 178.344 176.117 -0.107 0.000 1.119 460 I CA 1.046 62.260 61.300 -0.142 0.000 1.417 460 I CB -0.301 37.576 38.000 -0.205 0.000 1.078 460 I HN 0.590 nan 8.210 nan 0.000 0.421 461 K N 1.108 121.474 120.400 -0.056 0.000 2.228 461 K HA -0.242 4.078 4.320 -0.000 0.000 0.205 461 K C 1.193 177.765 176.600 -0.045 0.000 1.045 461 K CA 1.961 58.226 56.287 -0.036 0.000 0.931 461 K CB 0.005 32.503 32.500 -0.003 0.000 0.727 461 K HN 0.315 nan 8.250 nan 0.000 0.458 462 D N -0.126 120.244 120.400 -0.050 0.000 2.355 462 D HA -0.019 4.621 4.640 -0.000 0.000 0.206 462 D C 0.005 176.232 176.300 -0.121 0.000 1.010 462 D CA -0.049 53.924 54.000 -0.045 0.000 0.875 462 D CB -0.034 40.768 40.800 0.004 0.000 0.966 462 D HN 0.083 nan 8.370 nan 0.000 0.512 463 L N 1.784 122.872 121.223 -0.224 0.000 2.601 463 L HA -0.016 4.324 4.340 -0.000 0.000 0.277 463 L C -0.085 176.611 176.870 -0.291 0.000 1.219 463 L CA 0.350 54.944 54.840 -0.410 0.000 0.915 463 L CB 0.012 41.759 42.059 -0.520 0.000 1.160 463 L HN -0.053 nan 8.230 nan 0.000 0.494 464 I N 7.210 127.602 120.570 -0.298 0.000 2.347 464 I HA 0.120 4.289 4.170 -0.000 0.000 0.294 464 I C -0.114 175.873 176.117 -0.215 0.000 1.090 464 I CA 0.179 61.355 61.300 -0.207 0.000 1.314 464 I CB -0.055 37.833 38.000 -0.187 0.000 1.423 464 I HN 0.476 nan 8.210 nan 0.000 0.503 465 I N 8.069 128.540 120.570 -0.165 0.000 2.321 465 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 465 I C 0.422 176.477 176.117 -0.103 0.000 0.998 465 I CA -0.262 60.953 61.300 -0.142 0.000 1.227 465 I CB 0.732 38.660 38.000 -0.120 0.000 1.368 465 I HN 0.517 nan 8.210 nan 0.000 0.466 466 I N 2.136 122.647 120.570 -0.098 0.000 3.690 466 I HA 0.582 4.752 4.170 -0.000 0.000 0.280 466 I C -0.168 175.919 176.117 -0.050 0.000 1.145 466 I CA -1.484 59.774 61.300 -0.070 0.000 1.144 466 I CB 1.018 38.976 38.000 -0.069 0.000 1.378 466 I HN 0.311 nan 8.210 nan 0.000 0.478 467 R N 1.243 121.726 120.500 -0.028 0.000 2.474 467 R HA 0.266 4.606 4.340 -0.000 0.000 0.339 467 R C 0.770 177.073 176.300 0.005 0.000 1.033 467 R CA 1.082 57.180 56.100 -0.004 0.000 0.997 467 R CB -0.304 30.003 30.300 0.012 0.000 0.963 467 R HN 1.021 nan 8.270 nan 0.000 0.438 468 G N 2.587 111.389 108.800 0.003 0.000 2.168 468 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.263 468 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.263 468 G C -0.277 174.615 174.900 -0.013 0.000 0.977 468 G CA 0.838 45.958 45.100 0.032 0.000 0.659 468 G HN 0.605 nan 8.290 nan 0.000 0.533 469 R N -1.202 119.224 120.500 -0.124 0.000 2.604 469 R HA 0.660 5.000 4.340 -0.000 0.000 0.270 469 R C -0.920 175.260 176.300 -0.200 0.000 1.052 469 R CA -1.073 54.861 56.100 -0.277 0.000 0.902 469 R CB 0.578 30.396 30.300 -0.803 0.000 1.233 469 R HN 0.029 nan 8.270 nan 0.000 0.455 470 N N 2.461 121.059 118.700 -0.169 0.000 2.473 470 N HA 0.477 5.217 4.740 -0.000 0.000 0.291 470 N C -0.615 174.808 175.510 -0.145 0.000 1.083 470 N CA -0.392 52.525 53.050 -0.222 0.000 0.951 470 N CB 1.673 39.953 38.487 -0.345 0.000 1.164 470 N HN 0.521 nan 8.380 nan 0.000 0.480 471 I N 0.655 121.110 120.570 -0.191 0.000 2.465 471 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 471 I C -0.247 175.836 176.117 -0.056 0.000 1.014 471 I CA -0.807 60.486 61.300 -0.011 0.000 1.093 471 I CB 2.049 39.986 38.000 -0.105 0.000 1.267 471 I HN 0.257 nan 8.210 nan 0.000 0.431 472 W N 6.872 128.177 121.300 0.009 0.000 2.345 472 W HA 0.216 4.876 4.660 -0.000 0.000 0.308 472 W C -1.781 174.735 176.519 -0.006 0.000 1.273 472 W CA -1.303 56.063 57.345 0.035 0.000 1.243 472 W CB 1.202 30.735 29.460 0.123 0.000 1.260 472 W HN 0.353 nan 8.180 nan 0.000 0.509 473 P HA -0.307 nan 4.420 nan 0.000 0.216 473 P C 1.889 179.241 177.300 0.087 0.000 1.153 473 P CA 2.278 65.398 63.100 0.033 0.000 0.858 473 P CB 0.108 31.830 31.700 0.037 0.000 0.789 474 Q N -0.289 119.616 119.800 0.175 0.000 2.135 474 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 474 Q C 1.118 177.235 176.000 0.196 0.000 0.981 474 Q CA 1.770 57.683 55.803 0.184 0.000 0.856 474 Q CB -1.434 27.430 28.738 0.211 0.000 0.902 474 Q HN 0.252 nan 8.270 nan 0.000 0.425 475 D N 0.815 121.336 120.400 0.200 0.000 2.263 475 D HA 0.014 4.654 4.640 -0.000 0.000 0.208 475 D C 1.931 178.393 176.300 0.270 0.000 0.971 475 D CA 0.740 54.886 54.000 0.243 0.000 0.867 475 D CB -0.009 40.989 40.800 0.330 0.000 0.929 475 D HN 0.360 nan 8.370 nan 0.000 0.492 476 I N 0.424 121.014 120.570 0.032 0.000 2.429 476 I HA -0.115 4.054 4.170 -0.000 0.000 0.247 476 I C 1.991 178.144 176.117 0.060 0.000 1.099 476 I CA 0.496 61.752 61.300 -0.073 0.000 1.422 476 I CB 0.073 37.892 38.000 -0.301 0.000 1.112 476 I HN -0.144 nan 8.210 nan 0.000 0.430 477 E N 0.300 120.538 120.200 0.065 0.000 2.160 477 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 477 E C 1.925 178.600 176.600 0.125 0.000 0.991 477 E CA 1.470 57.914 56.400 0.073 0.000 0.810 477 E CB -0.286 29.461 29.700 0.078 0.000 0.742 477 E HN 0.477 nan 8.360 nan 0.000 0.466 478 Y N 1.484 121.825 120.300 0.069 0.000 2.081 478 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 478 Y C 1.976 177.917 175.900 0.068 0.000 1.163 478 Y CA 1.727 59.873 58.100 0.078 0.000 1.135 478 Y CB -0.213 38.305 38.460 0.096 0.000 0.970 478 Y HN -0.037 nan 8.280 nan 0.000 0.498 479 I N 0.153 120.847 120.570 0.206 0.000 2.194 479 I HA -0.427 3.743 4.170 -0.000 0.000 0.246 479 I C 2.655 178.756 176.117 -0.028 0.000 1.093 479 I CA 1.388 62.742 61.300 0.091 0.000 1.355 479 I CB -0.815 37.286 38.000 0.169 0.000 1.046 479 I HN 0.432 nan 8.210 nan 0.000 0.413 480 A N 0.662 123.472 122.820 -0.016 0.000 1.873 480 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 480 A C 2.079 179.609 177.584 -0.089 0.000 1.186 480 A CA 1.592 53.603 52.037 -0.044 0.000 0.616 480 A CB -0.604 18.378 19.000 -0.030 0.000 0.823 480 A HN 0.497 nan 8.150 nan 0.000 0.442 481 E N -0.183 119.950 120.200 -0.112 0.000 2.472 481 E HA -0.139 4.211 4.350 -0.000 0.000 0.200 481 E C 1.806 178.291 176.600 -0.192 0.000 1.046 481 E CA 0.484 56.803 56.400 -0.136 0.000 0.871 481 E CB -0.047 29.601 29.700 -0.088 0.000 0.806 481 E HN 0.475 nan 8.360 nan 0.000 0.533 482 Q N 0.816 120.476 119.800 -0.233 0.000 2.119 482 Q HA -0.053 4.287 4.340 -0.000 0.000 0.201 482 Q C 0.532 176.460 176.000 -0.120 0.000 0.972 482 Q CA 0.923 56.603 55.803 -0.204 0.000 0.847 482 Q CB -0.016 28.609 28.738 -0.188 0.000 0.903 482 Q HN 0.284 nan 8.270 nan 0.000 0.433 483 E N 0.578 120.714 120.200 -0.107 0.000 2.436 483 E HA -0.041 4.309 4.350 -0.000 0.000 0.262 483 E C -1.586 174.944 176.600 -0.117 0.000 1.063 483 E CA -1.397 54.949 56.400 -0.090 0.000 0.944 483 E CB -0.098 29.553 29.700 -0.081 0.000 0.950 483 E HN 0.025 nan 8.360 nan 0.000 0.444 484 P HA -0.085 nan 4.420 nan 0.000 0.216 484 P C 0.693 177.884 177.300 -0.181 0.000 1.153 484 P CA 1.039 64.085 63.100 -0.091 0.000 0.844 484 P CB 0.292 31.970 31.700 -0.037 0.000 0.787 485 E N -0.553 119.556 120.200 -0.152 0.000 2.273 485 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 485 E C 0.595 176.983 176.600 -0.354 0.000 1.002 485 E CA 0.778 57.075 56.400 -0.173 0.000 0.828 485 E CB -0.543 29.101 29.700 -0.094 0.000 0.747 485 E HN 0.333 nan 8.360 nan 0.000 0.491 486 I N 0.746 121.063 120.570 -0.422 0.000 2.441 486 I HA 0.301 4.471 4.170 -0.000 0.000 0.295 486 I C 0.052 175.845 176.117 -0.541 0.000 0.994 486 I CA -0.826 60.234 61.300 -0.400 0.000 1.144 486 I CB 1.311 39.201 38.000 -0.184 0.000 1.314 486 I HN 0.006 nan 8.210 nan 0.000 0.445 487 H N 2.582 121.647 119.070 -0.008 0.000 2.907 487 H HA 0.342 4.898 4.556 -0.000 0.000 0.361 487 H C -0.502 174.838 175.328 0.020 0.000 1.194 487 H CA -1.039 55.016 56.048 0.011 0.000 1.152 487 H CB 1.889 31.660 29.762 0.014 0.000 1.867 487 H HN 0.428 nan 8.280 nan 0.000 0.561 488 S N 0.430 116.250 115.700 0.201 0.000 2.737 488 S HA 0.177 4.647 4.470 -0.000 0.000 0.315 488 S C 1.297 175.954 174.600 0.095 0.000 1.236 488 S CA 1.124 59.417 58.200 0.155 0.000 1.093 488 S CB -0.297 63.029 63.200 0.212 0.000 0.832 488 S HN 0.973 nan 8.310 nan 0.000 0.507 489 G N 3.508 112.351 108.800 0.072 0.000 2.176 489 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.232 489 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.232 489 G C 0.351 175.256 174.900 0.008 0.000 0.986 489 G CA 0.184 45.302 45.100 0.029 0.000 0.643 489 G HN 0.644 nan 8.290 nan 0.000 0.522 490 D N 0.507 120.916 120.400 0.016 0.000 2.305 490 D HA 0.439 5.079 4.640 -0.000 0.000 0.206 490 D C 1.474 177.774 176.300 -0.000 0.000 0.974 490 D CA 1.304 55.301 54.000 -0.005 0.000 0.871 490 D CB 0.249 41.042 40.800 -0.011 0.000 0.947 490 D HN 0.886 nan 8.370 nan 0.000 0.516 491 A N 0.387 123.213 122.820 0.011 0.000 2.350 491 A HA 0.714 5.034 4.320 -0.000 0.000 0.324 491 A C -0.620 176.979 177.584 0.026 0.000 1.118 491 A CA -0.471 51.571 52.037 0.008 0.000 0.783 491 A CB 1.201 20.197 19.000 -0.006 0.000 1.236 491 A HN 0.047 nan 8.150 nan 0.000 0.457 492 I N 1.226 121.809 120.570 0.021 0.000 2.569 492 I HA 0.570 4.740 4.170 -0.000 0.000 0.290 492 I C 0.018 176.124 176.117 -0.019 0.000 1.088 492 I CA -0.420 60.912 61.300 0.053 0.000 1.047 492 I CB 2.238 40.312 38.000 0.124 0.000 1.237 492 I HN 0.743 nan 8.210 nan 0.000 0.421 493 A N 6.699 129.501 122.820 -0.031 0.000 2.343 493 A HA 0.929 5.249 4.320 -0.000 0.000 0.316 493 A C -1.012 176.516 177.584 -0.094 0.000 1.104 493 A CA -0.354 51.566 52.037 -0.195 0.000 0.768 493 A CB 0.787 19.677 19.000 -0.183 0.000 1.213 493 A HN 0.631 nan 8.150 nan 0.000 0.456 494 F N 0.557 120.422 119.950 -0.141 0.000 2.726 494 F HA 0.835 5.362 4.527 -0.000 0.000 0.324 494 F C -0.813 174.881 175.800 -0.175 0.000 1.140 494 F CA -1.482 56.432 58.000 -0.144 0.000 0.964 494 F CB 1.413 40.339 39.000 -0.123 0.000 1.399 494 F HN 0.476 nan 8.300 nan 0.000 0.491 495 V N 0.734 120.726 119.914 0.129 0.000 2.540 495 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 495 V C -0.432 175.712 176.094 0.084 0.000 1.035 495 V CA -0.146 62.158 62.300 0.008 0.000 0.873 495 V CB 1.763 33.551 31.823 -0.058 0.000 0.992 495 V HN 1.028 nan 8.190 nan 0.000 0.428 496 T N 5.044 119.615 114.554 0.027 0.000 2.868 496 T HA 0.440 4.790 4.350 -0.000 0.000 0.292 496 T C 1.397 176.079 174.700 -0.030 0.000 1.028 496 T CA 0.455 62.571 62.100 0.027 0.000 1.059 496 T CB 1.496 70.358 68.868 -0.011 0.000 0.991 496 T HN 1.127 nan 8.240 nan 0.000 0.531 497 A N 2.267 125.057 122.820 -0.050 0.000 1.884 497 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 497 A C 1.842 179.386 177.584 -0.066 0.000 1.197 497 A CA 1.781 53.783 52.037 -0.058 0.000 0.637 497 A CB -0.759 18.205 19.000 -0.060 0.000 0.827 497 A HN 0.837 nan 8.150 nan 0.000 0.450 498 Q N -0.230 119.504 119.800 -0.111 0.000 2.387 498 Q HA 0.214 4.554 4.340 -0.000 0.000 0.211 498 Q C -0.153 175.813 176.000 -0.056 0.000 0.952 498 Q CA 0.570 56.325 55.803 -0.079 0.000 0.957 498 Q CB -0.389 28.285 28.738 -0.105 0.000 1.002 498 Q HN 0.708 nan 8.270 nan 0.000 0.502 499 E N 0.123 120.289 120.200 -0.056 0.000 2.476 499 E HA -0.189 4.161 4.350 -0.000 0.000 0.251 499 E C -0.802 175.761 176.600 -0.061 0.000 1.130 499 E CA 0.351 56.720 56.400 -0.052 0.000 0.736 499 E CB -0.549 29.128 29.700 -0.039 0.000 1.298 499 E HN 0.266 nan 8.360 nan 0.000 0.400 500 K N 0.632 120.989 120.400 -0.073 0.000 2.183 500 K HA 0.416 4.736 4.320 -0.000 0.000 0.274 500 K C 0.457 176.970 176.600 -0.146 0.000 1.009 500 K CA -0.544 55.692 56.287 -0.086 0.000 0.888 500 K CB 1.251 33.714 32.500 -0.060 0.000 1.078 500 K HN 0.128 nan 8.250 nan 0.000 0.459 501 I N 4.004 124.472 120.570 -0.170 0.000 2.428 501 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 501 I C 0.040 175.938 176.117 -0.364 0.000 1.019 501 I CA -0.784 60.362 61.300 -0.256 0.000 1.351 501 I CB 0.602 38.471 38.000 -0.218 0.000 1.412 501 I HN 0.314 nan 8.210 nan 0.000 0.513 502 I N 6.650 126.849 120.570 -0.618 0.000 2.498 502 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 502 I C -0.677 174.986 176.117 -0.758 0.000 1.032 502 I CA -0.442 60.397 61.300 -0.768 0.000 1.073 502 I CB 1.958 39.231 38.000 -1.212 0.000 1.251 502 I HN 0.297 nan 8.210 nan 0.000 0.426 503 L N 6.455 127.411 121.223 -0.445 0.000 2.337 503 L HA 0.482 4.822 4.340 -0.000 0.000 0.269 503 L C -0.565 176.187 176.870 -0.197 0.000 1.018 503 L CA -0.026 54.634 54.840 -0.300 0.000 0.876 503 L CB 0.581 42.528 42.059 -0.186 0.000 1.236 503 L HN 0.546 nan 8.230 nan 0.000 0.436 504 Q N 5.208 124.912 119.800 -0.159 0.000 2.267 504 Q HA 0.533 4.873 4.340 -0.000 0.000 0.255 504 Q C -0.986 175.015 176.000 0.001 0.000 0.923 504 Q CA -0.143 55.650 55.803 -0.017 0.000 0.925 504 Q CB 2.204 31.008 28.738 0.110 0.000 1.195 504 Q HN 0.589 nan 8.270 nan 0.000 0.417 505 I N 3.394 123.968 120.570 0.006 0.000 2.476 505 I HA 0.106 4.276 4.170 -0.000 0.000 0.281 505 I C -0.218 175.902 176.117 0.005 0.000 1.040 505 I CA -0.685 60.614 61.300 -0.002 0.000 1.094 505 I CB 1.590 39.579 38.000 -0.018 0.000 1.219 505 I HN 0.536 nan 8.210 nan 0.000 0.450 506 Q N 6.359 126.161 119.800 0.003 0.000 2.295 506 Q HA 0.552 4.892 4.340 -0.000 0.000 0.259 506 Q C -0.671 175.316 176.000 -0.022 0.000 0.976 506 Q CA -0.527 55.273 55.803 -0.006 0.000 0.923 506 Q CB 1.615 30.344 28.738 -0.016 0.000 1.185 506 Q HN 0.748 nan 8.270 nan 0.000 0.410 507 C N 1.076 120.369 119.300 -0.013 0.000 3.285 507 C HA 0.748 5.208 4.460 -0.000 0.000 0.325 507 C C -0.807 174.182 174.990 -0.001 0.000 1.304 507 C CA -1.255 57.754 59.018 -0.016 0.000 1.319 507 C CB 1.725 29.450 27.740 -0.024 0.000 1.640 507 C HN 1.160 nan 8.230 nan 0.000 0.477 508 R N 1.740 122.242 120.500 0.004 0.000 2.346 508 R HA 0.775 5.115 4.340 -0.000 0.000 0.309 508 R C -1.435 174.870 176.300 0.009 0.000 1.119 508 R CA -0.381 55.727 56.100 0.014 0.000 1.112 508 R CB 0.116 30.430 30.300 0.024 0.000 1.132 508 R HN 0.839 nan 8.270 nan 0.000 0.538 509 I N 2.824 123.398 120.570 0.008 0.000 2.468 509 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 509 I C 0.104 176.227 176.117 0.009 0.000 1.038 509 I CA -0.697 60.606 61.300 0.006 0.000 1.083 509 I CB 2.359 40.359 38.000 0.000 0.000 1.223 509 I HN 0.582 nan 8.210 nan 0.000 0.443 510 S N 1.874 117.580 115.700 0.010 0.000 2.497 510 S HA 0.006 4.476 4.470 -0.000 0.000 0.218 510 S C 0.617 175.223 174.600 0.009 0.000 1.023 510 S CA -0.014 58.193 58.200 0.011 0.000 0.913 510 S CB 0.049 63.256 63.200 0.012 0.000 0.800 510 S HN 0.679 nan 8.310 nan 0.000 0.505 511 D N 2.219 122.623 120.400 0.007 0.000 2.349 511 D HA -0.004 4.636 4.640 -0.000 0.000 0.266 511 D C 0.875 177.179 176.300 0.006 0.000 1.293 511 D CA 0.229 54.232 54.000 0.006 0.000 0.926 511 D CB 0.952 41.755 40.800 0.004 0.000 1.090 511 D HN 0.081 nan 8.370 nan 0.000 0.502 512 E N 3.310 123.513 120.200 0.006 0.000 2.268 512 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 512 E C 1.497 178.100 176.600 0.005 0.000 0.995 512 E CA 1.014 57.418 56.400 0.007 0.000 0.836 512 E CB 0.115 29.819 29.700 0.006 0.000 0.763 512 E HN 0.656 nan 8.360 nan 0.000 0.491 513 E N -0.412 119.789 120.200 0.003 0.000 2.046 513 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 513 E C 2.040 178.641 176.600 0.002 0.000 0.982 513 E CA 0.821 57.221 56.400 0.000 0.000 0.800 513 E CB -0.016 29.682 29.700 -0.002 0.000 0.756 513 E HN -0.001 nan 8.360 nan 0.000 0.449 514 R N 1.212 121.714 120.500 0.004 0.000 2.081 514 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 514 R C 2.179 178.485 176.300 0.009 0.000 1.131 514 R CA 1.674 57.777 56.100 0.005 0.000 0.960 514 R CB -0.318 29.983 30.300 0.002 0.000 0.856 514 R HN 0.096 nan 8.270 nan 0.000 0.436 515 R N -0.934 119.571 120.500 0.009 0.000 2.103 515 R HA -0.104 4.236 4.340 -0.000 0.000 0.242 515 R C 2.324 178.637 176.300 0.022 0.000 1.142 515 R CA 1.600 57.708 56.100 0.014 0.000 0.960 515 R CB -0.778 29.531 30.300 0.014 0.000 0.858 515 R HN 0.478 nan 8.270 nan 0.000 0.439 516 G N 0.728 109.540 108.800 0.020 0.000 2.394 516 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.214 516 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.214 516 G C 1.317 176.244 174.900 0.045 0.000 1.176 516 G CA 0.496 45.612 45.100 0.027 0.000 0.786 516 G HN 0.396 nan 8.290 nan 0.000 0.533 517 Q N -0.067 119.751 119.800 0.030 0.000 2.224 517 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 517 Q C 2.371 178.415 176.000 0.074 0.000 0.970 517 Q CA 0.987 56.818 55.803 0.046 0.000 0.865 517 Q CB -0.174 28.575 28.738 0.019 0.000 0.922 517 Q HN 0.490 nan 8.270 nan 0.000 0.445 518 L N 0.348 121.599 121.223 0.046 0.000 2.044 518 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 518 L C 2.336 179.228 176.870 0.037 0.000 1.075 518 L CA 0.943 55.802 54.840 0.032 0.000 0.747 518 L CB -0.166 41.899 42.059 0.010 0.000 0.903 518 L HN 0.235 nan 8.230 nan 0.000 0.435 519 I N -0.578 120.019 120.570 0.045 0.000 2.127 519 I HA -0.390 3.779 4.170 -0.000 0.000 0.241 519 I C 2.540 178.689 176.117 0.053 0.000 1.075 519 I CA 1.900 63.224 61.300 0.040 0.000 1.334 519 I CB -0.537 37.491 38.000 0.047 0.000 1.040 519 I HN 0.432 nan 8.210 nan 0.000 0.405 520 H N 0.855 119.925 119.070 0.001 0.000 2.321 520 H HA -0.149 4.407 4.556 -0.000 0.000 0.300 520 H C 2.170 177.502 175.328 0.006 0.000 1.087 520 H CA 1.899 57.949 56.048 0.004 0.000 1.319 520 H CB -0.014 29.751 29.762 0.005 0.000 1.379 520 H HN 0.316 nan 8.280 nan 0.000 0.501 521 A N 0.474 123.350 122.820 0.093 0.000 1.865 521 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 521 A C 2.350 179.918 177.584 -0.026 0.000 1.191 521 A CA 1.668 53.727 52.037 0.037 0.000 0.623 521 A CB -0.941 18.096 19.000 0.061 0.000 0.826 521 A HN 0.432 nan 8.150 nan 0.000 0.444 522 L N -0.360 120.854 121.223 -0.016 0.000 2.046 522 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 522 L C 2.929 179.777 176.870 -0.036 0.000 1.077 522 L CA 1.972 56.801 54.840 -0.018 0.000 0.747 522 L CB -1.046 41.003 42.059 -0.016 0.000 0.896 522 L HN 0.409 nan 8.230 nan 0.000 0.432 523 A N -0.958 121.820 122.820 -0.070 0.000 1.908 523 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 523 A C 2.450 179.977 177.584 -0.095 0.000 1.181 523 A CA 1.963 53.947 52.037 -0.087 0.000 0.627 523 A CB -0.967 17.966 19.000 -0.112 0.000 0.818 523 A HN 0.466 nan 8.150 nan 0.000 0.445 524 A N -0.651 122.077 122.820 -0.153 0.000 1.898 524 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 524 A C 2.251 179.814 177.584 -0.036 0.000 1.181 524 A CA 1.687 53.651 52.037 -0.122 0.000 0.620 524 A CB -0.444 18.458 19.000 -0.163 0.000 0.819 524 A HN 0.527 nan 8.150 nan 0.000 0.442 525 R N -0.516 119.977 120.500 -0.012 0.000 2.092 525 R HA -0.003 4.336 4.340 -0.000 0.000 0.231 525 R C 1.884 178.231 176.300 0.079 0.000 1.119 525 R CA 1.345 57.463 56.100 0.030 0.000 0.970 525 R CB -0.354 29.969 30.300 0.038 0.000 0.864 525 R HN 0.573 nan 8.270 nan 0.000 0.440 526 I N 0.527 121.151 120.570 0.090 0.000 2.226 526 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 526 I C 2.278 178.497 176.117 0.171 0.000 1.100 526 I CA 1.395 62.801 61.300 0.176 0.000 1.374 526 I CB -0.192 37.854 38.000 0.076 0.000 1.057 526 I HN 0.284 nan 8.210 nan 0.000 0.413 527 Q N -0.360 119.484 119.800 0.073 0.000 2.170 527 Q HA -0.204 4.136 4.340 -0.000 0.000 0.203 527 Q C 2.370 178.405 176.000 0.058 0.000 0.976 527 Q CA 1.846 57.683 55.803 0.057 0.000 0.858 527 Q CB -0.081 28.663 28.738 0.011 0.000 0.907 527 Q HN 0.460 nan 8.270 nan 0.000 0.433 528 S N 0.116 115.842 115.700 0.043 0.000 2.356 528 S HA -0.086 4.384 4.470 -0.000 0.000 0.219 528 S C 1.673 176.262 174.600 -0.018 0.000 1.036 528 S CA 0.562 58.770 58.200 0.013 0.000 0.965 528 S CB 0.092 63.294 63.200 0.003 0.000 0.864 528 S HN 0.227 nan 8.310 nan 0.000 0.471 529 E N -0.131 120.048 120.200 -0.036 0.000 2.274 529 E HA 0.042 4.392 4.350 -0.000 0.000 0.194 529 E C 0.863 177.173 176.600 -0.483 0.000 0.996 529 E CA 0.800 57.052 56.400 -0.248 0.000 0.840 529 E CB -0.102 29.428 29.700 -0.282 0.000 0.772 529 E HN 0.690 nan 8.360 nan 0.000 0.491 530 F N -1.204 118.762 119.950 0.026 0.000 2.834 530 F HA 0.275 4.802 4.527 -0.000 0.000 0.332 530 F C 1.424 177.246 175.800 0.037 0.000 1.056 530 F CA 0.297 58.317 58.000 0.034 0.000 1.178 530 F CB 0.872 39.884 39.000 0.021 0.000 1.037 530 F HN 0.025 nan 8.300 nan 0.000 0.580 531 G N 1.818 110.721 108.800 0.171 0.000 2.198 531 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 531 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 531 G C -0.343 174.621 174.900 0.107 0.000 1.025 531 G CA 0.333 45.502 45.100 0.114 0.000 0.769 531 G HN 0.209 nan 8.290 nan 0.000 0.507 532 V N 0.480 120.464 119.914 0.118 0.000 2.680 532 V HA 0.825 4.944 4.120 -0.000 0.000 0.309 532 V C 0.539 176.646 176.094 0.021 0.000 1.052 532 V CA 0.020 62.353 62.300 0.056 0.000 0.908 532 V CB 2.194 34.037 31.823 0.033 0.000 1.001 532 V HN 0.835 nan 8.190 nan 0.000 0.431 533 T N 2.194 116.743 114.554 -0.009 0.000 2.771 533 T HA 0.833 5.183 4.350 -0.000 0.000 0.281 533 T C -0.410 174.254 174.700 -0.060 0.000 0.982 533 T CA -0.298 61.786 62.100 -0.026 0.000 0.978 533 T CB 1.449 70.307 68.868 -0.018 0.000 0.930 533 T HN 1.066 nan 8.240 nan 0.000 0.447 534 A N 3.102 125.876 122.820 -0.076 0.000 2.331 534 A HA 0.842 5.162 4.320 -0.000 0.000 0.320 534 A C 0.455 177.977 177.584 -0.104 0.000 1.138 534 A CA -0.853 51.112 52.037 -0.120 0.000 0.790 534 A CB 0.843 19.752 19.000 -0.151 0.000 1.206 534 A HN 1.472 nan 8.150 nan 0.000 0.470 535 A N 3.284 126.032 122.820 -0.121 0.000 2.444 535 A HA 0.498 4.818 4.320 -0.000 0.000 0.273 535 A C 0.085 177.609 177.584 -0.100 0.000 1.136 535 A CA -0.078 51.910 52.037 -0.081 0.000 0.799 535 A CB -0.445 18.521 19.000 -0.057 0.000 1.081 535 A HN 0.631 nan 8.150 nan 0.000 0.509 536 I N 3.303 123.840 120.570 -0.055 0.000 2.301 536 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 536 I C -0.151 175.957 176.117 -0.014 0.000 1.046 536 I CA 0.038 61.309 61.300 -0.049 0.000 1.282 536 I CB 0.695 38.676 38.000 -0.031 0.000 1.409 536 I HN 0.537 nan 8.210 nan 0.000 0.484 537 D N 6.811 127.202 120.400 -0.014 0.000 2.454 537 D HA 0.229 4.869 4.640 -0.000 0.000 0.225 537 D C -0.521 175.797 176.300 0.029 0.000 1.081 537 D CA -0.605 53.415 54.000 0.033 0.000 0.864 537 D CB 1.906 42.750 40.800 0.074 0.000 1.040 537 D HN 0.146 nan 8.370 nan 0.000 0.517 538 L N 4.432 125.673 121.223 0.030 0.000 2.385 538 L HA 0.253 4.593 4.340 -0.000 0.000 0.281 538 L C 0.243 177.134 176.870 0.036 0.000 1.106 538 L CA 0.139 54.993 54.840 0.025 0.000 0.856 538 L CB 0.303 42.373 42.059 0.019 0.000 1.186 538 L HN 0.193 nan 8.230 nan 0.000 0.453 539 L N 5.133 126.378 121.223 0.037 0.000 2.358 539 L HA 0.594 4.934 4.340 -0.000 0.000 0.268 539 L C -2.048 174.843 176.870 0.035 0.000 1.032 539 L CA -2.138 52.729 54.840 0.045 0.000 0.805 539 L CB 1.134 43.228 42.059 0.059 0.000 1.253 539 L HN 0.340 nan 8.230 nan 0.000 0.452 540 P HA 0.154 nan 4.420 nan 0.000 0.272 540 P C -2.518 174.807 177.300 0.041 0.000 1.230 540 P CA -1.069 62.056 63.100 0.042 0.000 0.788 540 P CB -0.236 31.494 31.700 0.050 0.000 0.949 541 P HA -0.034 nan 4.420 nan 0.000 0.266 541 P C -0.377 176.978 177.300 0.091 0.000 1.193 541 P CA 0.630 63.742 63.100 0.020 0.000 0.770 541 P CB -0.278 31.460 31.700 0.063 0.000 0.836 542 H N -0.866 118.216 119.070 0.020 0.000 2.776 542 H HA -0.158 4.398 4.556 -0.000 0.000 0.300 542 H C 1.097 176.441 175.328 0.025 0.000 1.161 542 H CA 0.917 56.976 56.048 0.019 0.000 1.147 542 H CB -2.074 27.697 29.762 0.014 0.000 1.366 542 H HN 0.254 nan 8.280 nan 0.000 0.397 543 S N -0.650 115.105 115.700 0.092 0.000 2.395 543 S HA 0.075 4.545 4.470 -0.000 0.000 0.225 543 S C 0.836 175.481 174.600 0.075 0.000 1.027 543 S CA 0.855 59.103 58.200 0.081 0.000 0.965 543 S CB 0.355 63.596 63.200 0.068 0.000 0.812 543 S HN 0.368 nan 8.310 nan 0.000 0.482 544 I N 2.646 123.255 120.570 0.065 0.000 2.448 544 I HA 0.477 4.647 4.170 -0.000 0.000 0.281 544 I C -2.932 173.219 176.117 0.057 0.000 1.027 544 I CA -2.832 58.506 61.300 0.063 0.000 1.111 544 I CB 1.344 39.384 38.000 0.067 0.000 1.236 544 I HN -0.124 nan 8.210 nan 0.000 0.452 545 P HA 0.475 nan 4.420 nan 0.000 0.280 545 P C -0.787 176.552 177.300 0.065 0.000 1.272 545 P CA -0.718 62.429 63.100 0.079 0.000 0.819 545 P CB 0.695 32.458 31.700 0.105 0.000 1.122 546 R N -0.347 120.194 120.500 0.069 0.000 2.738 546 R HA 0.284 4.624 4.340 -0.000 0.000 0.268 546 R C 0.812 177.162 176.300 0.084 0.000 1.062 546 R CA -0.036 56.108 56.100 0.073 0.000 1.158 546 R CB -0.096 30.254 30.300 0.084 0.000 1.046 546 R HN 0.581 nan 8.270 nan 0.000 0.493 547 T N -1.544 113.055 114.554 0.074 0.000 2.689 547 T HA 0.008 4.358 4.350 -0.000 0.000 0.308 547 T C 1.388 176.143 174.700 0.092 0.000 1.021 547 T CA -0.523 61.617 62.100 0.067 0.000 0.973 547 T CB 0.617 69.516 68.868 0.050 0.000 1.113 547 T HN 0.448 nan 8.240 nan 0.000 0.522 548 S N 0.828 116.576 115.700 0.080 0.000 2.402 548 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 548 S C 2.075 176.769 174.600 0.157 0.000 1.030 548 S CA 1.444 59.713 58.200 0.115 0.000 1.003 548 S CB -0.654 62.595 63.200 0.081 0.000 0.813 548 S HN 0.919 nan 8.310 nan 0.000 0.477 549 S N -0.153 115.555 115.700 0.015 0.000 2.556 549 S HA 0.487 4.957 4.470 -0.000 0.000 0.216 549 S C 1.243 175.547 174.600 -0.493 0.000 0.970 549 S CA 0.301 58.365 58.200 -0.227 0.000 0.912 549 S CB 0.381 63.518 63.200 -0.105 0.000 0.790 549 S HN 0.765 nan 8.310 nan 0.000 0.504 550 G N 1.529 110.249 108.800 -0.133 0.000 2.132 550 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.228 550 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.228 550 G C -0.261 174.684 174.900 0.074 0.000 1.000 550 G CA -0.281 44.845 45.100 0.042 0.000 0.693 550 G HN 0.448 nan 8.290 nan 0.000 0.515 551 K N 0.262 120.690 120.400 0.047 0.000 2.138 551 K HA 0.509 4.829 4.320 -0.000 0.000 0.263 551 K C -2.722 173.919 176.600 0.069 0.000 0.965 551 K CA -2.398 53.930 56.287 0.069 0.000 0.868 551 K CB 1.439 33.974 32.500 0.058 0.000 1.083 551 K HN -0.040 nan 8.250 nan 0.000 0.443 552 P HA -0.064 nan 4.420 nan 0.000 0.260 552 P C -0.528 176.810 177.300 0.063 0.000 1.185 552 P CA 0.253 63.392 63.100 0.066 0.000 0.763 552 P CB 0.205 31.951 31.700 0.078 0.000 0.776 553 A N 4.867 127.719 122.820 0.055 0.000 3.077 553 A HA 0.058 4.378 4.320 -0.000 0.000 0.255 553 A C 1.548 179.151 177.584 0.033 0.000 1.728 553 A CA -0.152 51.910 52.037 0.041 0.000 1.383 553 A CB -0.793 18.228 19.000 0.035 0.000 1.097 553 A HN 0.451 nan 8.150 nan 0.000 0.634 554 R N 0.814 121.344 120.500 0.049 0.000 2.070 554 R HA -0.154 4.186 4.340 -0.000 0.000 0.233 554 R C 2.370 178.649 176.300 -0.036 0.000 1.137 554 R CA 1.581 57.718 56.100 0.062 0.000 0.945 554 R CB -0.284 30.071 30.300 0.092 0.000 0.845 554 R HN 0.618 nan 8.270 nan 0.000 0.430 555 A N 1.003 123.804 122.820 -0.031 0.000 1.972 555 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 555 A C 2.000 179.520 177.584 -0.107 0.000 1.169 555 A CA 1.535 53.531 52.037 -0.069 0.000 0.635 555 A CB -0.321 18.663 19.000 -0.026 0.000 0.810 555 A HN 0.360 nan 8.150 nan 0.000 0.446 556 E N -0.531 119.626 120.200 -0.071 0.000 2.152 556 E HA 0.036 4.385 4.350 -0.000 0.000 0.192 556 E C 2.118 178.646 176.600 -0.119 0.000 0.983 556 E CA 0.785 57.146 56.400 -0.065 0.000 0.818 556 E CB -0.188 29.502 29.700 -0.017 0.000 0.758 556 E HN 0.570 nan 8.360 nan 0.000 0.467 557 A N 1.246 123.968 122.820 -0.164 0.000 1.898 557 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 557 A C 2.058 179.253 177.584 -0.649 0.000 1.181 557 A CA 1.487 53.378 52.037 -0.243 0.000 0.620 557 A CB -0.420 18.526 19.000 -0.091 0.000 0.819 557 A HN 0.109 nan 8.150 nan 0.000 0.442 558 K N -0.005 119.801 120.400 -0.990 0.000 2.113 558 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 558 K C 1.815 178.169 176.600 -0.410 0.000 1.047 558 K CA 1.841 57.461 56.287 -1.112 0.000 0.928 558 K CB -0.151 31.982 32.500 -0.612 0.000 0.716 558 K HN 0.471 nan 8.250 nan 0.000 0.446 559 K N -0.390 119.863 120.400 -0.245 0.000 2.243 559 K HA -0.022 4.298 4.320 -0.000 0.000 0.201 559 K C 2.206 178.769 176.600 -0.061 0.000 1.051 559 K CA 0.499 56.720 56.287 -0.109 0.000 0.970 559 K CB 0.114 32.566 32.500 -0.080 0.000 0.755 559 K HN 0.069 nan 8.250 nan 0.000 0.465 560 R N -0.458 120.002 120.500 -0.067 0.000 2.090 560 R HA -0.093 4.246 4.340 -0.000 0.000 0.228 560 R C 2.037 178.348 176.300 0.018 0.000 1.110 560 R CA 1.155 57.245 56.100 -0.017 0.000 0.973 560 R CB -0.159 30.139 30.300 -0.003 0.000 0.869 560 R HN 0.195 nan 8.270 nan 0.000 0.440 561 Y N 1.186 121.430 120.300 -0.093 0.000 2.163 561 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 561 Y C 2.415 178.342 175.900 0.045 0.000 1.136 561 Y CA 1.753 59.861 58.100 0.013 0.000 1.147 561 Y CB -0.045 38.464 38.460 0.080 0.000 0.987 561 Y HN -0.014 nan 8.280 nan 0.000 0.509 562 Q N 0.811 120.705 119.800 0.157 0.000 2.061 562 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 562 Q C 2.190 178.238 176.000 0.079 0.000 0.984 562 Q CA 2.190 58.058 55.803 0.108 0.000 0.846 562 Q CB -0.321 28.447 28.738 0.050 0.000 0.902 562 Q HN 0.308 nan 8.270 nan 0.000 0.421 563 K N -0.578 119.840 120.400 0.030 0.000 2.147 563 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 563 K C 1.550 178.149 176.600 -0.002 0.000 1.049 563 K CA 1.307 57.604 56.287 0.016 0.000 0.936 563 K CB -0.408 32.092 32.500 -0.001 0.000 0.722 563 K HN 0.229 nan 8.250 nan 0.000 0.446 564 A N -0.903 121.894 122.820 -0.040 0.000 2.119 564 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 564 A C 1.952 179.492 177.584 -0.074 0.000 1.152 564 A CA 0.755 52.745 52.037 -0.079 0.000 0.708 564 A CB -0.611 18.310 19.000 -0.132 0.000 0.805 564 A HN 0.506 nan 8.150 nan 0.000 0.460 565 Y N 0.274 120.465 120.300 -0.183 0.000 2.231 565 Y HA 0.126 4.676 4.550 -0.000 0.000 0.294 565 Y C 2.553 178.415 175.900 -0.065 0.000 1.120 565 Y CA 0.970 58.992 58.100 -0.130 0.000 1.141 565 Y CB -0.379 38.025 38.460 -0.094 0.000 1.022 565 Y HN 0.276 nan 8.280 nan 0.000 0.523 566 A N 0.777 123.651 122.820 0.090 0.000 1.940 566 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 566 A C 2.371 179.915 177.584 -0.067 0.000 1.176 566 A CA 2.055 54.098 52.037 0.010 0.000 0.631 566 A CB -1.490 17.540 19.000 0.050 0.000 0.814 566 A HN 0.616 nan 8.150 nan 0.000 0.446 567 A N 0.177 122.960 122.820 -0.061 0.000 1.877 567 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 567 A C 2.352 179.877 177.584 -0.098 0.000 1.186 567 A CA 2.169 54.166 52.037 -0.067 0.000 0.620 567 A CB -0.892 18.077 19.000 -0.052 0.000 0.822 567 A HN 1.106 nan 8.150 nan 0.000 0.443 568 S N -0.841 114.773 115.700 -0.144 0.000 2.650 568 S HA 0.435 4.905 4.470 -0.000 0.000 0.219 568 S C 0.585 175.060 174.600 -0.208 0.000 0.960 568 S CA 0.124 58.228 58.200 -0.159 0.000 0.925 568 S CB -0.755 62.349 63.200 -0.160 0.000 0.775 568 S HN 0.537 nan 8.310 nan 0.000 0.525 569 L N 0.000 121.086 121.223 -0.228 0.000 2.949 569 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 569 L CA 0.000 54.712 54.840 -0.213 0.000 0.813 569 L CB 0.000 41.979 42.059 -0.133 0.000 0.961 569 L HN 0.000 nan 8.230 nan 0.000 0.502