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 2d4c_1_B DATA FIRST_RESID 9 DATA SEQUENCE QFHKATQKVS EKVGGAEGTK LDDDFKEMER KVDVTSRAVM EIMTKTIEYL DATA SEQUENCE QPNPASRAKL SMIXXXXXXX XXXXXPGYPQ AEALLAEAML KFGRELGDDC DATA SEQUENCE NFGPALGEVG EAMRELSEVK DSLDIEVKQN FIDPLQNLHD KDLREIQSAL DATA SEQUENCE QHHLKKLEGR RLDFDYKKKR QGKIPDEELR QALEKFDESK EIAESSMFNL DATA SEQUENCE LEMDIEQVSQ LSALVQAQLE YHKQAVQILQ QVTVRLEERI RQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 Q HA 0.000 nan 4.340 nan 0.000 0.214 9 Q C 0.000 176.122 176.000 0.204 0.000 1.003 9 Q CA 0.000 55.861 55.803 0.097 0.000 1.022 9 Q CB 0.000 28.778 28.738 0.067 0.000 1.108 10 F N 1.142 121.041 119.950 -0.085 0.000 2.725 10 F HA 0.266 4.795 4.527 0.004 0.000 0.311 10 F C -0.644 175.066 175.800 -0.151 0.000 1.121 10 F CA -0.358 57.514 58.000 -0.214 0.000 0.978 10 F CB 0.796 39.604 39.000 -0.319 0.000 1.274 10 F HN 0.523 nan 8.300 nan 0.000 0.440 11 H N 4.023 122.985 119.070 -0.179 0.000 2.591 11 H HA -0.166 4.392 4.556 0.004 0.000 0.325 11 H C 0.970 176.288 175.328 -0.017 0.000 1.096 11 H CA 0.963 56.954 56.048 -0.095 0.000 1.108 11 H CB -0.603 29.159 29.762 -0.000 0.000 1.590 11 H HN 0.705 nan 8.280 nan 0.000 0.399 12 K N 0.530 120.960 120.400 0.049 0.000 1.985 12 K HA -0.022 4.300 4.320 0.004 0.000 0.210 12 K C 2.331 178.965 176.600 0.056 0.000 1.047 12 K CA 1.390 57.706 56.287 0.048 0.000 0.932 12 K CB 0.037 32.547 32.500 0.017 0.000 0.716 12 K HN 0.372 nan 8.250 nan 0.000 0.439 13 A N 1.224 124.071 122.820 0.045 0.000 1.908 13 A HA -0.172 4.151 4.320 0.004 0.000 0.218 13 A C 2.293 179.923 177.584 0.076 0.000 1.181 13 A CA 2.157 54.222 52.037 0.048 0.000 0.627 13 A CB -1.110 17.911 19.000 0.036 0.000 0.818 13 A HN 0.301 nan 8.150 nan 0.000 0.445 14 T N -0.582 114.023 114.554 0.084 0.000 2.720 14 T HA -0.181 4.171 4.350 0.004 0.000 0.268 14 T C 2.098 176.885 174.700 0.145 0.000 1.037 14 T CA 1.830 63.994 62.100 0.106 0.000 1.144 14 T CB -0.224 68.652 68.868 0.014 0.000 0.864 14 T HN 0.573 nan 8.240 nan 0.000 0.444 15 Q N 1.109 120.980 119.800 0.118 0.000 2.167 15 Q HA 0.004 4.347 4.340 0.004 0.000 0.202 15 Q C 2.065 178.114 176.000 0.082 0.000 0.970 15 Q CA 1.505 57.373 55.803 0.109 0.000 0.855 15 Q CB -0.102 28.697 28.738 0.101 0.000 0.911 15 Q HN 0.425 nan 8.270 nan 0.000 0.438 16 K N -0.945 119.494 120.400 0.064 0.000 2.057 16 K HA -0.056 4.266 4.320 0.004 0.000 0.206 16 K C 1.958 178.557 176.600 -0.002 0.000 1.050 16 K CA 1.434 57.738 56.287 0.028 0.000 0.935 16 K CB -0.074 32.439 32.500 0.021 0.000 0.715 16 K HN 0.067 nan 8.250 nan 0.000 0.439 17 V N 0.958 120.883 119.914 0.020 0.000 2.427 17 V HA -0.215 3.907 4.120 0.004 0.000 0.248 17 V C 2.376 178.366 176.094 -0.173 0.000 1.051 17 V CA 1.876 64.125 62.300 -0.085 0.000 1.048 17 V CB -0.291 31.536 31.823 0.006 0.000 0.666 17 V HN 0.343 nan 8.190 nan 0.000 0.456 18 S N -0.642 115.125 115.700 0.111 0.000 2.402 18 S HA -0.219 4.253 4.470 0.004 0.000 0.229 18 S C 2.070 176.665 174.600 -0.008 0.000 1.021 18 S CA 1.594 59.908 58.200 0.191 0.000 0.974 18 S CB -0.258 63.121 63.200 0.297 0.000 0.800 18 S HN 0.731 nan 8.310 nan 0.000 0.484 19 E N 0.281 120.469 120.200 -0.020 0.000 2.204 19 E HA -0.145 4.207 4.350 0.004 0.000 0.194 19 E C 1.675 178.216 176.600 -0.098 0.000 0.989 19 E CA 0.902 57.279 56.400 -0.039 0.000 0.824 19 E CB 0.063 29.754 29.700 -0.014 0.000 0.756 19 E HN 0.565 nan 8.360 nan 0.000 0.477 20 K N -0.167 120.123 120.400 -0.184 0.000 2.102 20 K HA 0.037 4.359 4.320 0.004 0.000 0.206 20 K C 2.164 178.464 176.600 -0.500 0.000 1.031 20 K CA 0.829 56.956 56.287 -0.268 0.000 0.962 20 K CB -0.178 32.158 32.500 -0.273 0.000 0.811 20 K HN -0.075 nan 8.250 nan 0.000 0.453 21 V N 1.367 120.814 119.914 -0.778 0.000 2.546 21 V HA -0.180 3.942 4.120 0.004 0.000 0.254 21 V C 1.867 177.684 176.094 -0.461 0.000 1.076 21 V CA 2.141 63.849 62.300 -0.987 0.000 1.087 21 V CB -0.615 30.642 31.823 -0.943 0.000 0.674 21 V HN 0.646 nan 8.190 nan 0.000 0.470 22 G N -1.601 107.030 108.800 -0.282 0.000 3.596 22 G HA2 0.494 4.457 3.960 0.004 0.000 0.274 22 G HA3 0.494 4.457 3.960 0.004 0.000 0.274 22 G C 0.486 175.342 174.900 -0.073 0.000 1.007 22 G CA 0.537 45.564 45.100 -0.122 0.000 0.825 22 G HN 0.592 nan 8.290 nan 0.000 0.508 23 G N 0.115 108.859 108.800 -0.092 0.000 3.134 23 G HA2 0.506 4.468 3.960 0.004 0.000 0.158 23 G HA3 0.506 4.468 3.960 0.004 0.000 0.158 23 G C 1.440 176.330 174.900 -0.017 0.000 1.334 23 G CA 0.629 45.703 45.100 -0.044 0.000 1.001 23 G HN 0.302 nan 8.290 nan 0.000 0.600 24 A N -0.158 122.660 122.820 -0.004 0.000 1.835 24 A HA -0.024 4.298 4.320 0.004 0.000 0.215 24 A C 2.051 179.662 177.584 0.045 0.000 1.199 24 A CA 2.240 54.287 52.037 0.017 0.000 0.615 24 A CB -0.974 18.035 19.000 0.014 0.000 0.838 24 A HN 0.651 nan 8.150 nan 0.000 0.444 25 E N -0.674 119.565 120.200 0.066 0.000 2.086 25 E HA -0.217 4.135 4.350 0.004 0.000 0.200 25 E C 2.098 178.854 176.600 0.260 0.000 1.012 25 E CA 1.019 57.515 56.400 0.160 0.000 0.812 25 E CB -0.549 29.300 29.700 0.247 0.000 0.743 25 E HN 0.625 nan 8.360 nan 0.000 0.453 26 G N 0.559 109.475 108.800 0.195 0.000 2.491 26 G HA2 -0.361 3.601 3.960 0.004 0.000 0.218 26 G HA3 -0.361 3.601 3.960 0.004 0.000 0.218 26 G C 1.671 176.669 174.900 0.163 0.000 1.180 26 G CA 1.473 46.703 45.100 0.216 0.000 0.774 26 G HN 0.305 nan 8.290 nan 0.000 0.562 27 T N -0.189 114.416 114.554 0.086 0.000 2.746 27 T HA -0.095 4.257 4.350 0.004 0.000 0.267 27 T C 2.263 177.000 174.700 0.062 0.000 1.039 27 T CA 2.017 64.156 62.100 0.065 0.000 1.142 27 T CB -0.278 68.613 68.868 0.038 0.000 0.866 27 T HN 0.423 nan 8.240 nan 0.000 0.444 28 K N -0.021 120.411 120.400 0.054 0.000 2.057 28 K HA -0.094 4.229 4.320 0.004 0.000 0.207 28 K C 2.276 178.877 176.600 0.002 0.000 1.049 28 K CA 1.400 57.700 56.287 0.022 0.000 0.931 28 K CB -0.377 32.129 32.500 0.011 0.000 0.714 28 K HN 0.326 nan 8.250 nan 0.000 0.440 29 L N 2.022 123.257 121.223 0.020 0.000 2.083 29 L HA -0.170 4.173 4.340 0.004 0.000 0.209 29 L C 1.957 178.856 176.870 0.049 0.000 1.083 29 L CA 1.949 56.758 54.840 -0.052 0.000 0.752 29 L CB -0.615 41.407 42.059 -0.062 0.000 0.899 29 L HN 0.297 nan 8.230 nan 0.000 0.433 30 D N -0.942 119.536 120.400 0.130 0.000 2.144 30 D HA -0.190 4.452 4.640 0.004 0.000 0.200 30 D C 1.295 177.676 176.300 0.135 0.000 0.978 30 D CA 1.302 55.407 54.000 0.176 0.000 0.833 30 D CB 0.207 41.083 40.800 0.128 0.000 0.961 30 D HN 0.456 nan 8.370 nan 0.000 0.470 31 D N 0.763 121.206 120.400 0.071 0.000 2.123 31 D HA -0.124 4.518 4.640 0.004 0.000 0.200 31 D C 1.630 177.948 176.300 0.031 0.000 0.976 31 D CA 0.623 54.651 54.000 0.046 0.000 0.831 31 D CB -0.319 40.494 40.800 0.021 0.000 0.974 31 D HN 0.280 nan 8.370 nan 0.000 0.469 32 D N 0.361 120.748 120.400 -0.021 0.000 2.104 32 D HA -0.149 4.493 4.640 0.004 0.000 0.194 32 D C 2.088 178.367 176.300 -0.034 0.000 0.994 32 D CA 0.688 54.633 54.000 -0.090 0.000 0.830 32 D CB -0.591 40.078 40.800 -0.219 0.000 0.959 32 D HN 0.265 nan 8.370 nan 0.000 0.452 33 F N 1.137 121.075 119.950 -0.021 0.000 2.171 33 F HA -0.143 4.386 4.527 0.004 0.000 0.300 33 F C 2.481 178.282 175.800 0.001 0.000 1.090 33 F CA 0.895 58.892 58.000 -0.005 0.000 1.293 33 F CB 0.135 39.141 39.000 0.010 0.000 1.013 33 F HN -0.116 nan 8.300 nan 0.000 0.486 34 K N -0.060 120.459 120.400 0.198 0.000 2.103 34 K HA -0.202 4.120 4.320 0.004 0.000 0.204 34 K C 1.914 178.556 176.600 0.070 0.000 1.052 34 K CA 1.313 57.665 56.287 0.108 0.000 0.945 34 K CB -0.239 32.308 32.500 0.077 0.000 0.722 34 K HN 0.293 nan 8.250 nan 0.000 0.443 35 E N 1.074 121.305 120.200 0.052 0.000 2.051 35 E HA -0.187 4.166 4.350 0.004 0.000 0.192 35 E C 1.994 178.609 176.600 0.024 0.000 0.991 35 E CA 1.189 57.602 56.400 0.022 0.000 0.799 35 E CB 0.060 29.758 29.700 -0.005 0.000 0.748 35 E HN 0.219 nan 8.360 nan 0.000 0.449 36 M N 0.609 120.232 119.600 0.038 0.000 2.175 36 M HA -0.157 4.326 4.480 0.004 0.000 0.264 36 M C 2.233 178.565 176.300 0.053 0.000 1.063 36 M CA 1.754 57.078 55.300 0.040 0.000 1.119 36 M CB -0.299 32.336 32.600 0.058 0.000 1.377 36 M HN 0.192 nan 8.290 nan 0.000 0.415 37 E N 0.380 120.623 120.200 0.072 0.000 2.274 37 E HA -0.197 4.156 4.350 0.004 0.000 0.194 37 E C 2.064 178.682 176.600 0.029 0.000 0.996 37 E CA 0.755 57.186 56.400 0.051 0.000 0.840 37 E CB -0.298 29.433 29.700 0.052 0.000 0.772 37 E HN 0.463 nan 8.360 nan 0.000 0.491 38 R N 1.414 121.931 120.500 0.028 0.000 2.062 38 R HA -0.058 4.285 4.340 0.004 0.000 0.226 38 R C 2.326 178.634 176.300 0.013 0.000 1.125 38 R CA 1.340 57.451 56.100 0.018 0.000 0.966 38 R CB -0.085 30.225 30.300 0.017 0.000 0.861 38 R HN 0.064 nan 8.270 nan 0.000 0.433 39 K N 0.242 120.650 120.400 0.013 0.000 2.152 39 K HA -0.097 4.226 4.320 0.004 0.000 0.206 39 K C 1.859 178.464 176.600 0.009 0.000 1.048 39 K CA 1.342 57.634 56.287 0.008 0.000 0.933 39 K CB 0.118 32.620 32.500 0.003 0.000 0.721 39 K HN 0.088 nan 8.250 nan 0.000 0.447 40 V N 1.085 121.005 119.914 0.010 0.000 2.379 40 V HA -0.221 3.901 4.120 0.004 0.000 0.245 40 V C 1.943 178.033 176.094 -0.005 0.000 1.044 40 V CA 2.179 64.480 62.300 0.002 0.000 1.036 40 V CB -0.472 31.354 31.823 0.004 0.000 0.664 40 V HN 0.459 nan 8.190 nan 0.000 0.453 41 D N 0.138 120.537 120.400 -0.001 0.000 2.097 41 D HA -0.166 4.476 4.640 0.004 0.000 0.195 41 D C 1.995 178.300 176.300 0.007 0.000 0.989 41 D CA 1.703 55.702 54.000 -0.002 0.000 0.827 41 D CB -0.055 40.747 40.800 0.003 0.000 0.966 41 D HN 0.197 nan 8.370 nan 0.000 0.456 42 V N 0.112 120.032 119.914 0.011 0.000 2.295 42 V HA -0.257 3.866 4.120 0.004 0.000 0.246 42 V C 2.588 178.695 176.094 0.021 0.000 1.049 42 V CA 2.155 64.465 62.300 0.016 0.000 1.024 42 V CB -1.087 30.744 31.823 0.014 0.000 0.648 42 V HN 0.325 nan 8.190 nan 0.000 0.447 43 T N -0.562 114.002 114.554 0.017 0.000 2.720 43 T HA -0.241 4.112 4.350 0.004 0.000 0.268 43 T C 2.159 176.878 174.700 0.032 0.000 1.037 43 T CA 1.996 64.108 62.100 0.020 0.000 1.144 43 T CB -0.345 68.530 68.868 0.013 0.000 0.864 43 T HN 0.508 nan 8.240 nan 0.000 0.444 44 S N 0.567 116.281 115.700 0.023 0.000 2.348 44 S HA -0.107 4.365 4.470 0.004 0.000 0.221 44 S C 2.215 176.891 174.600 0.127 0.000 1.033 44 S CA 1.122 59.350 58.200 0.045 0.000 1.010 44 S CB -0.169 63.001 63.200 -0.049 0.000 0.891 44 S HN 0.419 nan 8.310 nan 0.000 0.442 45 R N 0.540 121.087 120.500 0.077 0.000 2.096 45 R HA -0.006 4.336 4.340 0.004 0.000 0.235 45 R C 2.604 178.939 176.300 0.058 0.000 1.127 45 R CA 1.177 57.321 56.100 0.074 0.000 0.968 45 R CB -0.569 29.759 30.300 0.045 0.000 0.861 45 R HN 0.499 nan 8.270 nan 0.000 0.440 46 A N 0.731 123.580 122.820 0.048 0.000 1.835 46 A HA -0.144 4.178 4.320 0.004 0.000 0.215 46 A C 2.333 179.939 177.584 0.037 0.000 1.199 46 A CA 1.538 53.598 52.037 0.039 0.000 0.615 46 A CB -0.884 18.137 19.000 0.036 0.000 0.838 46 A HN 0.119 nan 8.150 nan 0.000 0.444 47 V N -0.567 119.370 119.914 0.039 0.000 2.317 47 V HA -0.340 3.783 4.120 0.004 0.000 0.251 47 V C 2.617 178.700 176.094 -0.019 0.000 1.065 47 V CA 2.677 64.982 62.300 0.008 0.000 1.049 47 V CB -0.650 31.188 31.823 0.025 0.000 0.651 47 V HN 0.680 nan 8.190 nan 0.000 0.450 48 M N -0.166 119.438 119.600 0.005 0.000 2.099 48 M HA -0.151 4.332 4.480 0.004 0.000 0.262 48 M C 2.060 178.330 176.300 -0.050 0.000 1.067 48 M CA 1.988 57.236 55.300 -0.085 0.000 1.124 48 M CB -0.604 31.948 32.600 -0.080 0.000 1.353 48 M HN 0.365 nan 8.290 nan 0.000 0.410 49 E N -0.463 119.733 120.200 -0.007 0.000 2.107 49 E HA -0.132 4.220 4.350 0.004 0.000 0.191 49 E C 1.949 178.562 176.600 0.021 0.000 0.982 49 E CA 1.193 57.596 56.400 0.005 0.000 0.809 49 E CB -0.149 29.560 29.700 0.016 0.000 0.756 49 E HN 0.596 nan 8.360 nan 0.000 0.459 50 I N 0.645 121.234 120.570 0.033 0.000 2.394 50 I HA -0.249 3.923 4.170 0.004 0.000 0.251 50 I C 2.605 178.780 176.117 0.095 0.000 1.136 50 I CA 0.676 62.021 61.300 0.075 0.000 1.425 50 I CB -0.149 37.913 38.000 0.103 0.000 1.079 50 I HN 0.267 nan 8.210 nan 0.000 0.425 51 M N 0.297 119.909 119.600 0.021 0.000 2.086 51 M HA -0.201 4.282 4.480 0.004 0.000 0.261 51 M C 2.289 178.609 176.300 0.032 0.000 1.067 51 M CA 1.906 57.204 55.300 -0.003 0.000 1.116 51 M CB -0.146 32.398 32.600 -0.094 0.000 1.348 51 M HN 0.133 nan 8.290 nan 0.000 0.407 52 T N 0.827 115.387 114.554 0.009 0.000 2.777 52 T HA -0.097 4.255 4.350 0.004 0.000 0.266 52 T C 1.729 176.455 174.700 0.043 0.000 1.040 52 T CA 1.069 63.176 62.100 0.012 0.000 1.141 52 T CB -0.100 68.765 68.868 -0.006 0.000 0.868 52 T HN 0.300 nan 8.240 nan 0.000 0.444 53 K N 0.986 121.422 120.400 0.060 0.000 2.217 53 K HA 0.070 4.392 4.320 0.004 0.000 0.202 53 K C 2.395 179.076 176.600 0.135 0.000 1.051 53 K CA 0.851 57.185 56.287 0.079 0.000 0.952 53 K CB -0.753 31.784 32.500 0.061 0.000 0.736 53 K HN 0.319 nan 8.250 nan 0.000 0.453 54 T N 2.111 116.765 114.554 0.166 0.000 2.737 54 T HA 0.003 4.355 4.350 0.004 0.000 0.265 54 T C 2.068 176.906 174.700 0.231 0.000 1.038 54 T CA 0.841 63.096 62.100 0.259 0.000 1.144 54 T CB -0.140 68.930 68.868 0.338 0.000 0.866 54 T HN 0.097 nan 8.240 nan 0.000 0.434 55 I N 1.215 121.863 120.570 0.131 0.000 2.208 55 I HA -0.196 3.976 4.170 0.004 0.000 0.245 55 I C 2.536 178.664 176.117 0.018 0.000 1.097 55 I CA 1.492 62.824 61.300 0.053 0.000 1.363 55 I CB -0.433 37.578 38.000 0.017 0.000 1.051 55 I HN 0.374 nan 8.210 nan 0.000 0.413 56 E N -0.133 120.095 120.200 0.047 0.000 2.204 56 E HA -0.250 4.103 4.350 0.004 0.000 0.194 56 E C 1.982 178.615 176.600 0.054 0.000 0.989 56 E CA 1.126 57.544 56.400 0.029 0.000 0.824 56 E CB -0.195 29.528 29.700 0.039 0.000 0.756 56 E HN 0.596 nan 8.360 nan 0.000 0.477 57 Y N 1.348 121.645 120.300 -0.005 0.000 2.220 57 Y HA -0.083 4.467 4.550 0.001 0.000 0.291 57 Y C 1.773 177.662 175.900 -0.019 0.000 1.129 57 Y CA 1.045 59.143 58.100 -0.003 0.000 1.161 57 Y CB -0.241 38.223 38.460 0.007 0.000 0.997 57 Y HN -0.099 nan 8.280 nan 0.000 0.522 58 L N -0.165 120.799 121.223 -0.433 0.000 2.027 58 L HA -0.121 4.222 4.340 0.004 0.000 0.206 58 L C 0.634 177.316 176.870 -0.313 0.000 1.074 58 L CA 1.183 55.720 54.840 -0.505 0.000 0.745 58 L CB -0.321 41.591 42.059 -0.245 0.000 0.898 58 L HN 0.180 nan 8.230 nan 0.000 0.433 59 Q N -0.961 118.717 119.800 -0.204 0.000 2.798 59 Q HA 0.227 4.569 4.340 0.004 0.000 0.250 59 Q C -1.920 174.006 176.000 -0.125 0.000 1.006 59 Q CA -1.584 54.110 55.803 -0.182 0.000 0.759 59 Q CB 1.331 29.916 28.738 -0.255 0.000 1.201 59 Q HN 0.047 nan 8.270 nan 0.000 0.486 60 P HA -0.167 nan 4.420 nan 0.000 0.219 60 P C 0.312 177.582 177.300 -0.051 0.000 1.146 60 P CA 0.971 64.043 63.100 -0.047 0.000 0.808 60 P CB 0.303 31.988 31.700 -0.025 0.000 0.779 61 N N 0.444 119.103 118.700 -0.069 0.000 2.416 61 N HA 0.014 4.756 4.740 0.004 0.000 0.265 61 N C -1.213 174.247 175.510 -0.085 0.000 1.195 61 N CA -1.485 51.527 53.050 -0.064 0.000 0.943 61 N CB 0.372 38.821 38.487 -0.062 0.000 1.115 61 N HN -0.031 nan 8.380 nan 0.000 0.481 62 P HA -0.246 nan 4.420 nan 0.000 0.216 62 P C 0.767 178.019 177.300 -0.079 0.000 1.153 62 P CA 1.297 64.358 63.100 -0.065 0.000 0.858 62 P CB 0.055 31.731 31.700 -0.040 0.000 0.789 63 A N 0.037 122.817 122.820 -0.067 0.000 1.883 63 A HA -0.149 4.173 4.320 0.004 0.000 0.217 63 A C 2.521 180.040 177.584 -0.109 0.000 1.186 63 A CA 2.253 54.253 52.037 -0.062 0.000 0.624 63 A CB -1.512 17.468 19.000 -0.034 0.000 0.822 63 A HN 0.190 nan 8.150 nan 0.000 0.444 64 S N -1.341 114.259 115.700 -0.166 0.000 2.428 64 S HA -0.064 4.408 4.470 0.004 0.000 0.230 64 S C 2.032 176.296 174.600 -0.560 0.000 1.014 64 S CA 0.938 58.919 58.200 -0.365 0.000 0.957 64 S CB -0.240 62.755 63.200 -0.342 0.000 0.784 64 S HN 0.640 nan 8.310 nan 0.000 0.499 65 R N 1.381 121.684 120.500 -0.328 0.000 2.073 65 R HA 0.012 4.355 4.340 0.004 0.000 0.229 65 R C 2.342 178.525 176.300 -0.194 0.000 1.120 65 R CA 1.210 57.150 56.100 -0.267 0.000 0.967 65 R CB -0.467 29.738 30.300 -0.158 0.000 0.862 65 R HN 0.352 nan 8.270 nan 0.000 0.436 66 A N 1.571 124.308 122.820 -0.139 0.000 1.940 66 A HA -0.165 4.157 4.320 0.004 0.000 0.219 66 A C 1.931 179.472 177.584 -0.072 0.000 1.176 66 A CA 1.474 53.461 52.037 -0.083 0.000 0.631 66 A CB -0.299 18.667 19.000 -0.057 0.000 0.814 66 A HN 0.299 nan 8.150 nan 0.000 0.446 67 K N -1.011 119.328 120.400 -0.102 0.000 2.155 67 K HA -0.028 4.294 4.320 0.004 0.000 0.203 67 K C 1.883 178.499 176.600 0.027 0.000 1.052 67 K CA 0.984 57.266 56.287 -0.008 0.000 0.948 67 K CB -0.367 32.184 32.500 0.085 0.000 0.728 67 K HN 0.431 nan 8.250 nan 0.000 0.448 68 L N 1.604 122.747 121.223 -0.134 0.000 2.012 68 L HA -0.130 4.212 4.340 0.004 0.000 0.210 68 L C 1.863 178.747 176.870 0.024 0.000 1.073 68 L CA 1.852 56.685 54.840 -0.012 0.000 0.748 68 L CB -0.700 41.269 42.059 -0.150 0.000 0.891 68 L HN -0.045 nan 8.230 nan 0.000 0.431 69 S N -0.640 115.049 115.700 -0.019 0.000 2.500 69 S HA -0.100 4.373 4.470 0.004 0.000 0.239 69 S C 1.831 176.435 174.600 0.007 0.000 0.989 69 S CA 0.993 59.189 58.200 -0.008 0.000 0.951 69 S CB -0.280 62.906 63.200 -0.024 0.000 0.759 69 S HN 0.387 nan 8.310 nan 0.000 0.523 70 M N 0.947 120.561 119.600 0.022 0.000 2.098 70 M HA 0.114 4.596 4.480 0.004 0.000 0.262 70 M C 1.262 177.581 176.300 0.033 0.000 1.072 70 M CA 0.830 56.147 55.300 0.028 0.000 1.133 70 M CB -1.071 31.555 32.600 0.042 0.000 1.344 70 M HN 0.238 nan 8.290 nan 0.000 0.414 85 G N 0.393 109.071 108.800 -0.203 0.000 3.702 85 G HA2 0.511 4.474 3.960 0.004 0.000 0.288 85 G HA3 0.511 4.474 3.960 0.004 0.000 0.288 85 G C -0.251 174.659 174.900 0.016 0.000 1.193 85 G CA -0.168 44.892 45.100 -0.066 0.000 0.952 85 G HN 0.566 nan 8.290 nan 0.000 0.544 86 Y N -1.698 118.592 120.300 -0.018 0.000 2.597 86 Y HA 0.775 5.328 4.550 0.006 0.000 0.340 86 Y C -2.844 173.044 175.900 -0.020 0.000 1.097 86 Y CA -3.544 54.545 58.100 -0.018 0.000 1.037 86 Y CB 0.900 39.347 38.460 -0.021 0.000 1.305 86 Y HN -0.080 nan 8.280 nan 0.000 0.463 87 P HA 0.260 nan 4.420 nan 0.000 0.288 87 P C -1.207 176.186 177.300 0.155 0.000 1.267 87 P CA -0.423 62.720 63.100 0.072 0.000 0.815 87 P CB 1.840 33.572 31.700 0.053 0.000 0.989 88 Q N 1.081 120.931 119.800 0.083 0.000 2.259 88 Q HA 0.279 4.621 4.340 0.004 0.000 0.246 88 Q C 1.345 177.380 176.000 0.059 0.000 0.920 88 Q CA -0.316 55.542 55.803 0.092 0.000 0.895 88 Q CB 1.574 30.341 28.738 0.048 0.000 1.220 88 Q HN 0.585 nan 8.270 nan 0.000 0.439 89 A N 2.822 125.672 122.820 0.049 0.000 1.940 89 A HA -0.250 4.072 4.320 0.004 0.000 0.219 89 A C 1.707 179.313 177.584 0.036 0.000 1.176 89 A CA 1.871 53.930 52.037 0.037 0.000 0.631 89 A CB -0.173 18.844 19.000 0.027 0.000 0.814 89 A HN 0.748 nan 8.150 nan 0.000 0.446 90 E N 0.044 120.266 120.200 0.038 0.000 2.077 90 E HA -0.059 4.294 4.350 0.004 0.000 0.193 90 E C 2.209 178.827 176.600 0.030 0.000 0.989 90 E CA 1.361 57.784 56.400 0.038 0.000 0.800 90 E CB -0.470 29.257 29.700 0.044 0.000 0.746 90 E HN 0.608 nan 8.360 nan 0.000 0.452 91 A N 0.392 123.228 122.820 0.026 0.000 1.969 91 A HA -0.116 4.206 4.320 0.004 0.000 0.218 91 A C 2.127 179.724 177.584 0.021 0.000 1.169 91 A CA 1.012 53.059 52.037 0.017 0.000 0.635 91 A CB -0.529 18.476 19.000 0.008 0.000 0.810 91 A HN 0.198 nan 8.150 nan 0.000 0.445 92 L N -1.132 120.108 121.223 0.028 0.000 2.156 92 L HA -0.095 4.248 4.340 0.004 0.000 0.208 92 L C 2.473 179.366 176.870 0.038 0.000 1.095 92 L CA 0.752 55.611 54.840 0.032 0.000 0.770 92 L CB -0.412 41.668 42.059 0.035 0.000 0.914 92 L HN 0.457 nan 8.230 nan 0.000 0.439 93 L N 0.209 121.454 121.223 0.037 0.000 2.072 93 L HA -0.042 4.300 4.340 0.004 0.000 0.205 93 L C 2.631 179.524 176.870 0.038 0.000 1.079 93 L CA 1.878 56.742 54.840 0.040 0.000 0.752 93 L CB -0.715 41.365 42.059 0.036 0.000 0.906 93 L HN 0.107 nan 8.230 nan 0.000 0.436 94 A N -0.497 122.340 122.820 0.029 0.000 1.883 94 A HA -0.263 4.059 4.320 0.004 0.000 0.217 94 A C 2.180 179.776 177.584 0.021 0.000 1.186 94 A CA 2.023 54.072 52.037 0.021 0.000 0.624 94 A CB -0.756 18.253 19.000 0.014 0.000 0.822 94 A HN 0.607 nan 8.150 nan 0.000 0.444 95 E N -0.418 119.795 120.200 0.021 0.000 2.085 95 E HA -0.141 4.211 4.350 0.004 0.000 0.194 95 E C 2.349 178.971 176.600 0.038 0.000 0.994 95 E CA 1.022 57.432 56.400 0.016 0.000 0.801 95 E CB -0.317 29.390 29.700 0.012 0.000 0.743 95 E HN 0.629 nan 8.360 nan 0.000 0.453 96 A N 1.085 123.951 122.820 0.077 0.000 1.883 96 A HA -0.226 4.096 4.320 0.004 0.000 0.217 96 A C 2.184 179.890 177.584 0.204 0.000 1.186 96 A CA 1.653 53.791 52.037 0.168 0.000 0.624 96 A CB -0.501 18.592 19.000 0.154 0.000 0.822 96 A HN 0.145 nan 8.150 nan 0.000 0.444 97 M N -0.750 118.909 119.600 0.099 0.000 2.086 97 M HA -0.089 4.393 4.480 0.004 0.000 0.261 97 M C 2.159 178.474 176.300 0.024 0.000 1.067 97 M CA 1.369 56.699 55.300 0.050 0.000 1.116 97 M CB -0.544 32.058 32.600 0.004 0.000 1.348 97 M HN 0.350 nan 8.290 nan 0.000 0.407 98 L N 0.028 121.257 121.223 0.009 0.000 2.056 98 L HA -0.207 4.135 4.340 0.004 0.000 0.207 98 L C 2.660 179.507 176.870 -0.040 0.000 1.078 98 L CA 1.246 56.074 54.840 -0.020 0.000 0.749 98 L CB -0.702 41.344 42.059 -0.021 0.000 0.901 98 L HN 0.328 nan 8.230 nan 0.000 0.433 99 K N 0.562 120.931 120.400 -0.052 0.000 1.991 99 K HA -0.205 4.117 4.320 0.004 0.000 0.212 99 K C 2.110 178.574 176.600 -0.226 0.000 1.049 99 K CA 1.891 58.075 56.287 -0.172 0.000 0.932 99 K CB -0.267 32.075 32.500 -0.264 0.000 0.717 99 K HN 0.095 nan 8.250 nan 0.000 0.441 100 F N 0.645 120.558 119.950 -0.061 0.000 2.407 100 F HA 0.021 4.551 4.527 0.004 0.000 0.299 100 F C 2.330 178.059 175.800 -0.119 0.000 1.097 100 F CA 0.969 58.924 58.000 -0.074 0.000 1.422 100 F CB -0.400 38.558 39.000 -0.070 0.000 1.067 100 F HN 0.271 nan 8.300 nan 0.000 0.539 101 G N -0.088 108.716 108.800 0.005 0.000 2.418 101 G HA2 -0.257 3.706 3.960 0.004 0.000 0.217 101 G HA3 -0.257 3.706 3.960 0.004 0.000 0.217 101 G C 1.767 176.637 174.900 -0.051 0.000 1.158 101 G CA 0.630 45.681 45.100 -0.082 0.000 0.771 101 G HN 0.251 nan 8.290 nan 0.000 0.545 102 R N 0.477 120.947 120.500 -0.050 0.000 2.066 102 R HA -0.040 4.303 4.340 0.004 0.000 0.232 102 R C 2.413 178.690 176.300 -0.038 0.000 1.131 102 R CA 1.697 57.768 56.100 -0.048 0.000 0.955 102 R CB -0.387 29.874 30.300 -0.065 0.000 0.851 102 R HN 0.473 nan 8.270 nan 0.000 0.432 103 E N 0.310 120.482 120.200 -0.048 0.000 2.204 103 E HA -0.181 4.171 4.350 0.004 0.000 0.195 103 E C 2.003 178.620 176.600 0.029 0.000 0.990 103 E CA 0.842 57.228 56.400 -0.022 0.000 0.821 103 E CB 0.015 29.686 29.700 -0.048 0.000 0.750 103 E HN 0.403 nan 8.360 nan 0.000 0.477 104 L N -0.275 120.973 121.223 0.042 0.000 2.072 104 L HA 0.047 4.389 4.340 0.004 0.000 0.205 104 L C 1.261 178.154 176.870 0.038 0.000 1.079 104 L CA 0.807 55.681 54.840 0.058 0.000 0.752 104 L CB -0.311 41.777 42.059 0.048 0.000 0.906 104 L HN 0.385 nan 8.230 nan 0.000 0.436 105 G N -0.579 108.230 108.800 0.016 0.000 2.603 105 G HA2 -0.189 3.773 3.960 0.004 0.000 0.686 105 G HA3 -0.189 3.773 3.960 0.004 0.000 0.686 105 G C -0.600 174.309 174.900 0.014 0.000 1.286 105 G CA -0.239 44.869 45.100 0.013 0.000 0.871 105 G HN 0.130 nan 8.290 nan 0.000 0.568 106 D N -0.563 119.844 120.400 0.012 0.000 2.340 106 D HA 0.110 4.752 4.640 0.004 0.000 0.217 106 D C 1.297 177.611 176.300 0.022 0.000 1.081 106 D CA 0.376 54.385 54.000 0.015 0.000 0.842 106 D CB 0.499 41.303 40.800 0.008 0.000 0.934 106 D HN 0.440 nan 8.370 nan 0.000 0.511 107 D N 0.055 120.471 120.400 0.026 0.000 2.363 107 D HA -0.049 4.593 4.640 0.004 0.000 0.226 107 D C 0.501 176.824 176.300 0.038 0.000 1.020 107 D CA 0.269 54.286 54.000 0.028 0.000 0.892 107 D CB 0.326 41.142 40.800 0.027 0.000 0.900 107 D HN 0.264 nan 8.370 nan 0.000 0.531 108 C N -2.741 116.588 119.300 0.049 0.000 3.336 108 C HA 0.543 5.005 4.460 0.004 0.000 0.352 108 C C 1.092 176.127 174.990 0.074 0.000 1.567 108 C CA -0.919 58.139 59.018 0.067 0.000 1.328 108 C CB 1.060 28.858 27.740 0.096 0.000 1.922 108 C HN -0.033 nan 8.230 nan 0.000 0.439 109 N N -0.795 117.965 118.700 0.099 0.000 2.368 109 N HA 0.067 4.809 4.740 0.004 0.000 0.178 109 N C 1.015 176.623 175.510 0.165 0.000 1.076 109 N CA 0.440 53.552 53.050 0.102 0.000 0.889 109 N CB -0.115 38.423 38.487 0.086 0.000 1.040 109 N HN 0.735 nan 8.380 nan 0.000 0.463 110 F N 2.333 122.291 119.950 0.014 0.000 2.186 110 F HA 0.073 4.601 4.527 0.003 0.000 0.299 110 F C 2.160 177.975 175.800 0.025 0.000 1.090 110 F CA 1.048 59.058 58.000 0.016 0.000 1.307 110 F CB -0.745 38.263 39.000 0.013 0.000 1.019 110 F HN -0.066 nan 8.300 nan 0.000 0.489 111 G N 1.546 110.335 108.800 -0.017 0.000 2.511 111 G HA2 -0.239 3.724 3.960 0.004 0.000 0.216 111 G HA3 -0.239 3.724 3.960 0.004 0.000 0.216 111 G C -0.599 174.242 174.900 -0.099 0.000 1.218 111 G CA 1.073 46.108 45.100 -0.108 0.000 0.788 111 G HN 0.341 nan 8.290 nan 0.000 0.560 112 P HA -0.024 nan 4.420 nan 0.000 0.220 112 P C 1.899 179.184 177.300 -0.026 0.000 1.148 112 P CA 1.833 64.919 63.100 -0.023 0.000 0.803 112 P CB -0.111 31.590 31.700 0.002 0.000 0.782 113 A N 0.214 123.026 122.820 -0.014 0.000 1.930 113 A HA -0.096 4.226 4.320 0.004 0.000 0.217 113 A C 2.381 179.939 177.584 -0.045 0.000 1.175 113 A CA 1.075 53.117 52.037 0.009 0.000 0.627 113 A CB -1.540 17.520 19.000 0.099 0.000 0.815 113 A HN 0.136 nan 8.150 nan 0.000 0.443 114 L N -0.833 120.294 121.223 -0.160 0.000 2.201 114 L HA -0.086 4.256 4.340 0.004 0.000 0.212 114 L C 2.677 179.494 176.870 -0.088 0.000 1.105 114 L CA 0.846 55.576 54.840 -0.183 0.000 0.775 114 L CB -0.477 41.375 42.059 -0.346 0.000 0.913 114 L HN 0.504 nan 8.230 nan 0.000 0.440 115 G N -0.511 108.246 108.800 -0.071 0.000 2.421 115 G HA2 -0.164 3.799 3.960 0.004 0.000 0.217 115 G HA3 -0.164 3.799 3.960 0.004 0.000 0.217 115 G C 1.403 176.289 174.900 -0.024 0.000 1.143 115 G CA 0.215 45.290 45.100 -0.041 0.000 0.784 115 G HN 0.401 nan 8.290 nan 0.000 0.541 116 E N 0.053 120.242 120.200 -0.018 0.000 2.072 116 E HA -0.032 4.320 4.350 0.004 0.000 0.190 116 E C 2.637 179.237 176.600 -0.001 0.000 0.982 116 E CA 0.751 57.148 56.400 -0.005 0.000 0.803 116 E CB -0.029 29.673 29.700 0.003 0.000 0.755 116 E HN 0.296 nan 8.360 nan 0.000 0.453 117 V N 0.968 120.882 119.914 -0.000 0.000 2.488 117 V HA -0.101 4.022 4.120 0.004 0.000 0.246 117 V C 2.349 178.446 176.094 0.005 0.000 1.046 117 V CA 1.772 64.077 62.300 0.008 0.000 1.053 117 V CB -0.774 31.060 31.823 0.018 0.000 0.679 117 V HN 0.386 nan 8.190 nan 0.000 0.458 118 G N -0.281 108.516 108.800 -0.005 0.000 2.442 118 G HA2 -0.308 3.654 3.960 0.004 0.000 0.219 118 G HA3 -0.308 3.654 3.960 0.004 0.000 0.219 118 G C 1.507 176.407 174.900 0.000 0.000 1.141 118 G CA 1.064 46.163 45.100 -0.001 0.000 0.763 118 G HN 0.591 nan 8.290 nan 0.000 0.554 119 E N 0.476 120.674 120.200 -0.003 0.000 2.047 119 E HA -0.017 4.335 4.350 0.004 0.000 0.191 119 E C 2.781 179.382 176.600 0.002 0.000 0.987 119 E CA 1.051 57.449 56.400 -0.002 0.000 0.799 119 E CB -0.301 29.396 29.700 -0.004 0.000 0.752 119 E HN 0.308 nan 8.360 nan 0.000 0.449 120 A N 1.185 124.007 122.820 0.004 0.000 1.883 120 A HA -0.218 4.104 4.320 0.004 0.000 0.217 120 A C 2.208 179.799 177.584 0.012 0.000 1.186 120 A CA 1.924 53.965 52.037 0.007 0.000 0.624 120 A CB -0.516 18.489 19.000 0.008 0.000 0.822 120 A HN 0.322 nan 8.150 nan 0.000 0.444 121 M N -0.895 118.714 119.600 0.015 0.000 2.149 121 M HA -0.111 4.371 4.480 0.004 0.000 0.261 121 M C 2.181 178.493 176.300 0.021 0.000 1.064 121 M CA 1.408 56.721 55.300 0.022 0.000 1.102 121 M CB -1.228 31.386 32.600 0.023 0.000 1.369 121 M HN 0.467 nan 8.290 nan 0.000 0.408 122 R N 0.719 121.226 120.500 0.013 0.000 2.115 122 R HA -0.099 4.243 4.340 0.004 0.000 0.226 122 R C 1.760 178.066 176.300 0.010 0.000 1.100 122 R CA 1.165 57.270 56.100 0.008 0.000 0.980 122 R CB -0.048 30.253 30.300 0.001 0.000 0.875 122 R HN 0.500 nan 8.270 nan 0.000 0.445 123 E N 0.303 120.509 120.200 0.010 0.000 2.072 123 E HA -0.132 4.220 4.350 0.004 0.000 0.191 123 E C 2.130 178.743 176.600 0.023 0.000 0.985 123 E CA 0.948 57.354 56.400 0.011 0.000 0.801 123 E CB -0.036 29.668 29.700 0.006 0.000 0.750 123 E HN 0.275 nan 8.360 nan 0.000 0.452 124 L N 0.580 121.821 121.223 0.029 0.000 2.046 124 L HA -0.197 4.146 4.340 0.004 0.000 0.208 124 L C 2.688 179.606 176.870 0.081 0.000 1.077 124 L CA 0.881 55.753 54.840 0.055 0.000 0.747 124 L CB -0.409 41.681 42.059 0.052 0.000 0.896 124 L HN 0.140 nan 8.230 nan 0.000 0.432 125 S N -0.144 115.586 115.700 0.049 0.000 2.374 125 S HA -0.240 4.232 4.470 0.004 0.000 0.227 125 S C 1.803 176.413 174.600 0.018 0.000 1.037 125 S CA 1.778 59.998 58.200 0.033 0.000 1.024 125 S CB -0.127 63.082 63.200 0.015 0.000 0.861 125 S HN 0.483 nan 8.310 nan 0.000 0.456 126 E N -0.061 120.148 120.200 0.015 0.000 2.106 126 E HA -0.059 4.293 4.350 0.004 0.000 0.192 126 E C 2.116 178.728 176.600 0.021 0.000 0.984 126 E CA 1.269 57.671 56.400 0.003 0.000 0.806 126 E CB -0.177 29.523 29.700 0.000 0.000 0.750 126 E HN 0.382 nan 8.360 nan 0.000 0.458 127 V N 1.565 121.518 119.914 0.065 0.000 2.667 127 V HA -0.199 3.924 4.120 0.004 0.000 0.252 127 V C 2.225 178.396 176.094 0.129 0.000 1.065 127 V CA 1.487 63.860 62.300 0.121 0.000 1.083 127 V CB -0.269 31.652 31.823 0.165 0.000 0.692 127 V HN 0.104 nan 8.190 nan 0.000 0.468 128 K N 0.624 121.073 120.400 0.083 0.000 2.097 128 K HA -0.150 4.173 4.320 0.004 0.000 0.205 128 K C 1.713 178.238 176.600 -0.125 0.000 1.050 128 K CA 1.493 57.708 56.287 -0.120 0.000 0.938 128 K CB -0.521 31.949 32.500 -0.050 0.000 0.718 128 K HN 0.374 nan 8.250 nan 0.000 0.442 129 D N -0.259 120.104 120.400 -0.061 0.000 2.104 129 D HA -0.106 4.536 4.640 0.004 0.000 0.194 129 D C 1.776 178.039 176.300 -0.063 0.000 0.994 129 D CA 1.455 55.409 54.000 -0.077 0.000 0.830 129 D CB -0.211 40.535 40.800 -0.089 0.000 0.959 129 D HN 0.171 nan 8.370 nan 0.000 0.452 130 S N 0.501 116.177 115.700 -0.040 0.000 2.399 130 S HA -0.139 4.334 4.470 0.004 0.000 0.231 130 S C 1.878 176.456 174.600 -0.037 0.000 1.022 130 S CA 0.373 58.560 58.200 -0.022 0.000 0.983 130 S CB -0.188 63.017 63.200 0.009 0.000 0.803 130 S HN 0.199 nan 8.310 nan 0.000 0.480 131 L N 2.293 123.458 121.223 -0.097 0.000 2.056 131 L HA -0.094 4.249 4.340 0.004 0.000 0.207 131 L C 1.486 178.286 176.870 -0.117 0.000 1.078 131 L CA 1.893 56.636 54.840 -0.162 0.000 0.749 131 L CB -0.765 41.011 42.059 -0.472 0.000 0.901 131 L HN 0.031 nan 8.230 nan 0.000 0.433 132 D N -0.046 120.289 120.400 -0.109 0.000 2.084 132 D HA -0.178 4.464 4.640 0.004 0.000 0.194 132 D C 2.329 178.637 176.300 0.013 0.000 0.990 132 D CA 2.051 56.031 54.000 -0.034 0.000 0.826 132 D CB -0.231 40.597 40.800 0.047 0.000 0.971 132 D HN 0.441 nan 8.370 nan 0.000 0.453 133 I N 0.810 121.384 120.570 0.007 0.000 2.286 133 I HA -0.224 3.948 4.170 0.004 0.000 0.248 133 I C 2.445 178.578 176.117 0.027 0.000 1.115 133 I CA 1.085 62.395 61.300 0.017 0.000 1.392 133 I CB -0.176 37.823 38.000 -0.003 0.000 1.065 133 I HN 0.041 nan 8.210 nan 0.000 0.418 134 E N 0.840 121.052 120.200 0.020 0.000 2.072 134 E HA -0.157 4.196 4.350 0.004 0.000 0.190 134 E C 2.312 178.952 176.600 0.066 0.000 0.982 134 E CA 1.132 57.554 56.400 0.036 0.000 0.803 134 E CB 0.225 29.942 29.700 0.027 0.000 0.755 134 E HN 0.244 nan 8.360 nan 0.000 0.453 135 V N 1.350 121.302 119.914 0.065 0.000 2.427 135 V HA -0.216 3.907 4.120 0.004 0.000 0.248 135 V C 2.408 178.603 176.094 0.168 0.000 1.051 135 V CA 1.878 64.254 62.300 0.126 0.000 1.048 135 V CB -0.478 31.404 31.823 0.098 0.000 0.666 135 V HN 0.182 nan 8.190 nan 0.000 0.456 136 K N 0.576 121.039 120.400 0.104 0.000 2.032 136 K HA -0.206 4.116 4.320 0.004 0.000 0.209 136 K C 2.137 178.782 176.600 0.075 0.000 1.048 136 K CA 1.855 58.194 56.287 0.086 0.000 0.927 136 K CB -0.320 32.218 32.500 0.063 0.000 0.712 136 K HN 0.563 nan 8.250 nan 0.000 0.441 137 Q N -0.717 119.124 119.800 0.069 0.000 2.123 137 Q HA 0.055 4.398 4.340 0.004 0.000 0.196 137 Q C 1.374 177.416 176.000 0.070 0.000 0.958 137 Q CA 1.279 57.115 55.803 0.055 0.000 0.841 137 Q CB 0.091 28.854 28.738 0.042 0.000 0.915 137 Q HN 0.474 nan 8.270 nan 0.000 0.455 138 N N -1.015 117.746 118.700 0.102 0.000 2.336 138 N HA 0.051 4.793 4.740 0.004 0.000 0.189 138 N C 0.371 176.009 175.510 0.212 0.000 1.113 138 N CA 0.089 53.213 53.050 0.123 0.000 0.858 138 N CB 0.402 38.953 38.487 0.108 0.000 0.970 138 N HN 0.073 nan 8.380 nan 0.000 0.471 139 F N -0.118 119.846 119.950 0.024 0.000 2.244 139 F HA 0.363 4.892 4.527 0.003 0.000 0.272 139 F C 1.401 177.215 175.800 0.024 0.000 0.882 139 F CA -0.205 57.811 58.000 0.026 0.000 1.101 139 F CB -0.030 38.990 39.000 0.033 0.000 1.097 139 F HN -0.213 nan 8.300 nan 0.000 0.762 140 I N 0.971 121.546 120.570 0.007 0.000 2.163 140 I HA -0.228 3.944 4.170 0.004 0.000 0.240 140 I C 1.795 177.849 176.117 -0.106 0.000 1.081 140 I CA 1.643 62.884 61.300 -0.098 0.000 1.353 140 I CB -0.427 37.592 38.000 0.032 0.000 1.054 140 I HN 0.135 nan 8.210 nan 0.000 0.407 141 D N 0.820 121.197 120.400 -0.038 0.000 2.104 141 D HA -0.133 4.509 4.640 0.004 0.000 0.194 141 D C -0.360 175.911 176.300 -0.049 0.000 0.994 141 D CA 1.566 55.547 54.000 -0.032 0.000 0.830 141 D CB -1.738 39.060 40.800 -0.003 0.000 0.959 141 D HN 0.244 nan 8.370 nan 0.000 0.452 142 P HA -0.087 nan 4.420 nan 0.000 0.215 142 P C 1.771 179.019 177.300 -0.087 0.000 1.153 142 P CA 0.826 63.894 63.100 -0.054 0.000 0.853 142 P CB -0.037 31.639 31.700 -0.040 0.000 0.788 143 L N -1.266 119.853 121.223 -0.173 0.000 2.141 143 L HA -0.171 4.171 4.340 0.004 0.000 0.209 143 L C 2.671 179.494 176.870 -0.079 0.000 1.094 143 L CA 1.239 55.975 54.840 -0.173 0.000 0.763 143 L CB -0.819 41.035 42.059 -0.341 0.000 0.908 143 L HN -0.017 nan 8.230 nan 0.000 0.437 144 Q N 0.910 120.661 119.800 -0.083 0.000 2.084 144 Q HA -0.231 4.111 4.340 0.004 0.000 0.202 144 Q C 1.880 177.891 176.000 0.019 0.000 0.978 144 Q CA 2.110 57.886 55.803 -0.045 0.000 0.844 144 Q CB -0.155 28.551 28.738 -0.055 0.000 0.898 144 Q HN 0.400 nan 8.270 nan 0.000 0.426 145 N N -0.843 117.858 118.700 0.002 0.000 2.142 145 N HA -0.147 4.595 4.740 0.004 0.000 0.186 145 N C 1.505 177.030 175.510 0.025 0.000 1.023 145 N CA 1.141 54.200 53.050 0.015 0.000 0.852 145 N CB -0.302 38.185 38.487 0.001 0.000 0.998 145 N HN 0.333 nan 8.380 nan 0.000 0.424 146 L N 0.461 121.694 121.223 0.015 0.000 2.042 146 L HA -0.185 4.157 4.340 0.004 0.000 0.210 146 L C 2.333 179.223 176.870 0.034 0.000 1.076 146 L CA 1.887 56.735 54.840 0.014 0.000 0.749 146 L CB -1.095 40.963 42.059 -0.001 0.000 0.893 146 L HN 0.434 nan 8.230 nan 0.000 0.432 147 H N -0.701 118.346 119.070 -0.039 0.000 2.307 147 H HA -0.098 4.461 4.556 0.004 0.000 0.303 147 H C 1.528 176.842 175.328 -0.023 0.000 1.073 147 H CA 1.830 57.859 56.048 -0.031 0.000 1.338 147 H CB -0.000 29.739 29.762 -0.038 0.000 1.389 147 H HN 0.393 nan 8.280 nan 0.000 0.503 148 D N 0.378 120.918 120.400 0.232 0.000 2.224 148 D HA -0.077 4.565 4.640 0.004 0.000 0.205 148 D C 1.995 178.304 176.300 0.015 0.000 0.965 148 D CA 0.840 54.926 54.000 0.143 0.000 0.852 148 D CB 0.584 41.464 40.800 0.134 0.000 0.947 148 D HN 0.416 nan 8.370 nan 0.000 0.494 149 K N 0.239 120.641 120.400 0.003 0.000 2.758 149 K HA -0.029 4.293 4.320 0.004 0.000 0.247 149 K C 1.199 177.781 176.600 -0.029 0.000 1.155 149 K CA 0.058 56.337 56.287 -0.013 0.000 1.011 149 K CB 0.173 32.672 32.500 -0.002 0.000 1.633 149 K HN -0.324 nan 8.250 nan 0.000 0.438 150 D N 1.584 121.973 120.400 -0.018 0.000 2.303 150 D HA -0.272 4.370 4.640 0.004 0.000 0.190 150 D C 1.852 178.133 176.300 -0.031 0.000 1.011 150 D CA 2.400 56.389 54.000 -0.017 0.000 0.860 150 D CB -0.278 40.518 40.800 -0.007 0.000 0.961 150 D HN 0.201 nan 8.370 nan 0.000 0.453 151 L N -0.251 120.943 121.223 -0.049 0.000 2.083 151 L HA -0.158 4.185 4.340 0.004 0.000 0.209 151 L C 2.554 179.371 176.870 -0.089 0.000 1.083 151 L CA 1.012 55.811 54.840 -0.067 0.000 0.752 151 L CB -0.356 41.645 42.059 -0.095 0.000 0.899 151 L HN 0.043 nan 8.230 nan 0.000 0.433 152 R N 0.442 120.874 120.500 -0.115 0.000 2.075 152 R HA -0.163 4.179 4.340 0.004 0.000 0.232 152 R C 2.122 178.383 176.300 -0.065 0.000 1.126 152 R CA 1.496 57.532 56.100 -0.108 0.000 0.963 152 R CB -0.002 30.232 30.300 -0.111 0.000 0.858 152 R HN 0.421 nan 8.270 nan 0.000 0.435 153 E N 0.132 120.302 120.200 -0.050 0.000 2.107 153 E HA -0.156 4.196 4.350 0.004 0.000 0.191 153 E C 2.044 178.625 176.600 -0.032 0.000 0.982 153 E CA 1.249 57.625 56.400 -0.041 0.000 0.809 153 E CB -0.047 29.634 29.700 -0.031 0.000 0.756 153 E HN 0.410 nan 8.360 nan 0.000 0.459 154 I N 1.035 121.594 120.570 -0.018 0.000 2.252 154 I HA -0.270 3.902 4.170 0.004 0.000 0.245 154 I C 2.667 178.788 176.117 0.007 0.000 1.102 154 I CA 0.916 62.221 61.300 0.008 0.000 1.385 154 I CB -0.135 37.874 38.000 0.016 0.000 1.064 154 I HN 0.082 nan 8.210 nan 0.000 0.414 155 Q N 1.450 121.241 119.800 -0.015 0.000 2.030 155 Q HA -0.209 4.133 4.340 0.004 0.000 0.204 155 Q C 2.363 178.348 176.000 -0.024 0.000 0.986 155 Q CA 2.800 58.593 55.803 -0.017 0.000 0.843 155 Q CB -0.402 28.314 28.738 -0.037 0.000 0.904 155 Q HN 0.582 nan 8.270 nan 0.000 0.420 156 S N -0.217 115.460 115.700 -0.039 0.000 2.383 156 S HA -0.157 4.316 4.470 0.004 0.000 0.229 156 S C 2.095 176.655 174.600 -0.066 0.000 1.030 156 S CA 1.231 59.403 58.200 -0.048 0.000 1.002 156 S CB -0.879 62.288 63.200 -0.055 0.000 0.829 156 S HN 0.490 nan 8.310 nan 0.000 0.467 157 A N 2.344 125.116 122.820 -0.079 0.000 1.877 157 A HA 0.110 4.432 4.320 0.004 0.000 0.216 157 A C 2.352 179.884 177.584 -0.087 0.000 1.186 157 A CA 1.480 53.432 52.037 -0.142 0.000 0.620 157 A CB -0.945 18.033 19.000 -0.036 0.000 0.822 157 A HN 0.522 nan 8.150 nan 0.000 0.443 158 L N -0.884 120.351 121.223 0.020 0.000 2.012 158 L HA -0.309 4.033 4.340 0.004 0.000 0.210 158 L C 2.955 179.751 176.870 -0.124 0.000 1.073 158 L CA 1.973 56.824 54.840 0.018 0.000 0.748 158 L CB -0.770 41.339 42.059 0.084 0.000 0.891 158 L HN 0.492 nan 8.230 nan 0.000 0.431 159 Q N -1.241 118.512 119.800 -0.078 0.000 2.084 159 Q HA -0.254 4.088 4.340 0.004 0.000 0.202 159 Q C 2.278 178.205 176.000 -0.122 0.000 0.978 159 Q CA 1.646 57.395 55.803 -0.090 0.000 0.844 159 Q CB -0.338 28.369 28.738 -0.051 0.000 0.898 159 Q HN 0.527 nan 8.270 nan 0.000 0.426 160 H N 0.226 119.154 119.070 -0.235 0.000 2.353 160 H HA -0.156 4.403 4.556 0.004 0.000 0.300 160 H C 1.713 176.855 175.328 -0.309 0.000 1.090 160 H CA 1.648 57.532 56.048 -0.274 0.000 1.327 160 H CB 0.123 29.678 29.762 -0.344 0.000 1.383 160 H HN 0.371 nan 8.280 nan 0.000 0.508 161 H N 0.003 119.010 119.070 -0.105 0.000 2.389 161 H HA -0.088 4.470 4.556 0.004 0.000 0.299 161 H C 2.508 177.508 175.328 -0.546 0.000 1.081 161 H CA 0.961 56.815 56.048 -0.324 0.000 1.345 161 H CB -0.329 29.134 29.762 -0.499 0.000 1.393 161 H HN 0.290 nan 8.280 nan 0.000 0.520 162 L N 1.560 122.492 121.223 -0.485 0.000 2.131 162 L HA -0.124 4.218 4.340 0.004 0.000 0.210 162 L C 2.389 179.149 176.870 -0.184 0.000 1.092 162 L CA 1.646 56.271 54.840 -0.359 0.000 0.759 162 L CB -0.427 41.489 42.059 -0.239 0.000 0.903 162 L HN 0.059 nan 8.230 nan 0.000 0.435 163 K N -0.717 119.565 120.400 -0.197 0.000 2.031 163 K HA -0.175 4.147 4.320 0.004 0.000 0.205 163 K C 2.186 178.699 176.600 -0.146 0.000 1.049 163 K CA 1.253 57.446 56.287 -0.156 0.000 0.939 163 K CB -0.035 32.356 32.500 -0.182 0.000 0.717 163 K HN 0.229 nan 8.250 nan 0.000 0.438 164 K N 0.608 120.886 120.400 -0.204 0.000 2.009 164 K HA -0.179 4.143 4.320 0.004 0.000 0.210 164 K C 2.148 178.725 176.600 -0.039 0.000 1.049 164 K CA 1.439 57.648 56.287 -0.130 0.000 0.929 164 K CB -0.301 32.120 32.500 -0.131 0.000 0.714 164 K HN 0.093 nan 8.250 nan 0.000 0.440 165 L N 1.878 123.089 121.223 -0.019 0.000 2.043 165 L HA -0.251 4.092 4.340 0.004 0.000 0.212 165 L C 2.191 179.089 176.870 0.046 0.000 1.075 165 L CA 1.997 56.874 54.840 0.061 0.000 0.752 165 L CB -0.498 41.625 42.059 0.108 0.000 0.891 165 L HN 0.149 nan 8.230 nan 0.000 0.432 166 E N -0.620 119.583 120.200 0.005 0.000 2.106 166 E HA -0.076 4.276 4.350 0.004 0.000 0.192 166 E C 2.094 178.682 176.600 -0.019 0.000 0.984 166 E CA 1.348 57.745 56.400 -0.004 0.000 0.806 166 E CB -0.722 28.969 29.700 -0.015 0.000 0.750 166 E HN 0.510 nan 8.360 nan 0.000 0.458 167 G N 0.356 109.143 108.800 -0.022 0.000 2.404 167 G HA2 -0.260 3.702 3.960 0.004 0.000 0.215 167 G HA3 -0.260 3.702 3.960 0.004 0.000 0.215 167 G C 1.639 176.535 174.900 -0.006 0.000 1.174 167 G CA 0.703 45.793 45.100 -0.017 0.000 0.780 167 G HN 0.213 nan 8.290 nan 0.000 0.537 168 R N -0.129 120.379 120.500 0.014 0.000 2.115 168 R HA 0.033 4.375 4.340 0.004 0.000 0.230 168 R C 2.585 178.906 176.300 0.036 0.000 1.111 168 R CA 1.068 57.192 56.100 0.040 0.000 0.976 168 R CB -0.236 30.098 30.300 0.056 0.000 0.870 168 R HN 0.330 nan 8.270 nan 0.000 0.445 169 R N 1.157 121.658 120.500 0.001 0.000 2.075 169 R HA -0.085 4.257 4.340 0.004 0.000 0.232 169 R C 2.002 178.261 176.300 -0.068 0.000 1.126 169 R CA 1.199 57.283 56.100 -0.026 0.000 0.963 169 R CB -0.176 30.106 30.300 -0.030 0.000 0.858 169 R HN 0.176 nan 8.270 nan 0.000 0.435 170 L N 0.770 121.897 121.223 -0.160 0.000 2.027 170 L HA -0.167 4.176 4.340 0.004 0.000 0.206 170 L C 2.044 178.614 176.870 -0.500 0.000 1.074 170 L CA 1.301 55.869 54.840 -0.454 0.000 0.745 170 L CB -0.563 41.261 42.059 -0.392 0.000 0.898 170 L HN 0.252 nan 8.230 nan 0.000 0.433 171 D N -0.159 120.154 120.400 -0.145 0.000 2.149 171 D HA -0.242 4.400 4.640 0.004 0.000 0.198 171 D C 1.950 178.265 176.300 0.025 0.000 0.990 171 D CA 1.422 55.428 54.000 0.010 0.000 0.839 171 D CB -0.182 40.658 40.800 0.067 0.000 0.948 171 D HN 0.220 nan 8.370 nan 0.000 0.460 172 F N 1.668 121.557 119.950 -0.103 0.000 2.113 172 F HA -0.177 4.353 4.527 0.004 0.000 0.297 172 F C 2.092 177.843 175.800 -0.081 0.000 1.103 172 F CA 1.611 59.565 58.000 -0.078 0.000 1.248 172 F CB -0.170 38.776 39.000 -0.089 0.000 0.999 172 F HN -0.190 nan 8.300 nan 0.000 0.475 173 D N -1.038 119.352 120.400 -0.018 0.000 2.084 173 D HA -0.260 4.382 4.640 0.004 0.000 0.194 173 D C 2.288 178.571 176.300 -0.028 0.000 0.990 173 D CA 1.914 55.871 54.000 -0.071 0.000 0.826 173 D CB -0.596 40.135 40.800 -0.117 0.000 0.971 173 D HN 0.521 nan 8.370 nan 0.000 0.453 174 Y N 0.130 120.407 120.300 -0.038 0.000 2.207 174 Y HA -0.198 4.354 4.550 0.004 0.000 0.287 174 Y C 2.550 178.396 175.900 -0.091 0.000 1.156 174 Y CA 0.925 58.997 58.100 -0.048 0.000 1.182 174 Y CB -0.100 38.346 38.460 -0.024 0.000 0.979 174 Y HN -0.015 nan 8.280 nan 0.000 0.521 175 K N 1.140 121.547 120.400 0.013 0.000 2.025 175 K HA -0.206 4.116 4.320 0.004 0.000 0.207 175 K C 2.174 178.665 176.600 -0.182 0.000 1.049 175 K CA 1.327 57.554 56.287 -0.100 0.000 0.933 175 K CB -0.110 32.286 32.500 -0.173 0.000 0.714 175 K HN 0.085 nan 8.250 nan 0.000 0.438 176 K N 0.865 121.091 120.400 -0.290 0.000 2.103 176 K HA -0.172 4.151 4.320 0.004 0.000 0.207 176 K C 1.881 178.403 176.600 -0.131 0.000 1.048 176 K CA 1.496 57.615 56.287 -0.279 0.000 0.930 176 K CB 0.092 32.407 32.500 -0.308 0.000 0.716 176 K HN 0.068 nan 8.250 nan 0.000 0.444 177 K N 0.031 120.397 120.400 -0.057 0.000 2.057 177 K HA -0.118 4.204 4.320 0.004 0.000 0.207 177 K C 2.275 178.863 176.600 -0.019 0.000 1.049 177 K CA 1.285 57.568 56.287 -0.006 0.000 0.931 177 K CB 0.039 32.568 32.500 0.049 0.000 0.714 177 K HN 0.141 nan 8.250 nan 0.000 0.440 178 R N 0.681 121.163 120.500 -0.030 0.000 2.065 178 R HA -0.101 4.241 4.340 0.004 0.000 0.224 178 R C 2.374 178.646 176.300 -0.046 0.000 1.161 178 R CA 1.515 57.595 56.100 -0.033 0.000 0.923 178 R CB -0.385 29.895 30.300 -0.032 0.000 0.822 178 R HN 0.269 nan 8.270 nan 0.000 0.437 179 Q N -0.344 119.409 119.800 -0.078 0.000 2.291 179 Q HA 0.017 4.359 4.340 0.004 0.000 0.205 179 Q C 1.440 177.352 176.000 -0.147 0.000 0.970 179 Q CA 0.846 56.590 55.803 -0.097 0.000 0.876 179 Q CB 0.192 28.860 28.738 -0.117 0.000 0.935 179 Q HN 0.673 nan 8.270 nan 0.000 0.455 180 G N 1.943 110.634 108.800 -0.182 0.000 3.548 180 G HA2 -0.383 3.579 3.960 0.004 0.000 0.224 180 G HA3 -0.383 3.579 3.960 0.004 0.000 0.224 180 G C 0.332 174.784 174.900 -0.747 0.000 1.351 180 G CA 0.596 45.520 45.100 -0.294 0.000 0.905 180 G HN 0.328 nan 8.290 nan 0.000 0.561 181 K N 0.933 120.898 120.400 -0.724 0.000 2.274 181 K HA 0.691 5.013 4.320 0.004 0.000 0.262 181 K C -0.554 175.885 176.600 -0.270 0.000 0.961 181 K CA -0.857 55.075 56.287 -0.593 0.000 0.833 181 K CB 0.748 33.027 32.500 -0.369 0.000 1.102 181 K HN 0.313 nan 8.250 nan 0.000 0.436 182 I N 6.503 126.950 120.570 -0.204 0.000 2.339 182 I HA 0.271 4.443 4.170 0.004 0.000 0.290 182 I C -2.036 174.046 176.117 -0.059 0.000 0.994 182 I CA -2.728 58.490 61.300 -0.137 0.000 1.191 182 I CB 1.645 39.540 38.000 -0.176 0.000 1.343 182 I HN 0.515 nan 8.210 nan 0.000 0.458 183 P HA -0.075 nan 4.420 nan 0.000 0.269 183 P C -0.050 177.256 177.300 0.009 0.000 1.200 183 P CA 0.200 63.292 63.100 -0.014 0.000 0.779 183 P CB 0.612 32.306 31.700 -0.009 0.000 0.841 184 D N 0.843 121.250 120.400 0.012 0.000 2.144 184 D HA -0.141 4.501 4.640 0.004 0.000 0.200 184 D C 1.564 177.882 176.300 0.029 0.000 0.978 184 D CA 1.286 55.300 54.000 0.022 0.000 0.833 184 D CB -0.205 40.604 40.800 0.015 0.000 0.961 184 D HN 0.427 nan 8.370 nan 0.000 0.470 185 E N 0.667 120.881 120.200 0.023 0.000 2.204 185 E HA -0.112 4.241 4.350 0.004 0.000 0.194 185 E C 1.795 178.417 176.600 0.037 0.000 0.989 185 E CA 0.576 56.991 56.400 0.026 0.000 0.824 185 E CB -0.021 29.691 29.700 0.019 0.000 0.756 185 E HN 0.525 nan 8.360 nan 0.000 0.477 186 E N 0.228 120.453 120.200 0.042 0.000 2.230 186 E HA 0.011 4.364 4.350 0.004 0.000 0.192 186 E C 2.240 178.901 176.600 0.102 0.000 0.987 186 E CA 0.078 56.514 56.400 0.061 0.000 0.841 186 E CB 0.113 29.840 29.700 0.046 0.000 0.783 186 E HN 0.161 nan 8.360 nan 0.000 0.481 187 L N 1.164 122.450 121.223 0.105 0.000 2.027 187 L HA -0.185 4.157 4.340 0.004 0.000 0.206 187 L C 2.774 179.692 176.870 0.081 0.000 1.074 187 L CA 1.548 56.475 54.840 0.145 0.000 0.745 187 L CB -0.454 41.676 42.059 0.119 0.000 0.898 187 L HN 0.140 nan 8.230 nan 0.000 0.433 188 R N 0.052 120.585 120.500 0.056 0.000 2.120 188 R HA -0.187 4.155 4.340 0.004 0.000 0.234 188 R C 1.986 178.312 176.300 0.042 0.000 1.123 188 R CA 1.308 57.431 56.100 0.039 0.000 0.975 188 R CB -0.486 29.833 30.300 0.032 0.000 0.866 188 R HN 0.428 nan 8.270 nan 0.000 0.446 189 Q N 0.759 120.590 119.800 0.051 0.000 2.050 189 Q HA -0.086 4.256 4.340 0.004 0.000 0.202 189 Q C 2.422 178.456 176.000 0.057 0.000 0.980 189 Q CA 1.723 57.558 55.803 0.053 0.000 0.840 189 Q CB -0.203 28.569 28.738 0.056 0.000 0.898 189 Q HN 0.563 nan 8.270 nan 0.000 0.424 190 A N 0.862 123.720 122.820 0.063 0.000 1.933 190 A HA -0.159 4.163 4.320 0.004 0.000 0.218 190 A C 2.046 179.623 177.584 -0.011 0.000 1.175 190 A CA 1.102 53.153 52.037 0.024 0.000 0.628 190 A CB -0.604 18.401 19.000 0.008 0.000 0.814 190 A HN 0.288 nan 8.150 nan 0.000 0.444 191 L N -1.143 120.077 121.223 -0.005 0.000 2.109 191 L HA -0.147 4.195 4.340 0.004 0.000 0.207 191 L C 2.627 179.553 176.870 0.094 0.000 1.086 191 L CA 1.578 56.437 54.840 0.032 0.000 0.760 191 L CB -0.347 41.721 42.059 0.014 0.000 0.910 191 L HN 0.599 nan 8.230 nan 0.000 0.437 192 E N 0.516 120.753 120.200 0.063 0.000 2.047 192 E HA -0.231 4.121 4.350 0.004 0.000 0.191 192 E C 2.130 178.767 176.600 0.062 0.000 0.987 192 E CA 1.146 57.579 56.400 0.054 0.000 0.799 192 E CB 0.187 29.912 29.700 0.041 0.000 0.752 192 E HN 0.350 nan 8.360 nan 0.000 0.449 193 K N -0.168 120.277 120.400 0.075 0.000 2.057 193 K HA -0.161 4.162 4.320 0.004 0.000 0.207 193 K C 2.071 178.737 176.600 0.108 0.000 1.049 193 K CA 1.351 57.687 56.287 0.081 0.000 0.931 193 K CB -0.340 32.210 32.500 0.083 0.000 0.714 193 K HN 0.145 nan 8.250 nan 0.000 0.440 194 F N 2.911 122.842 119.950 -0.032 0.000 2.126 194 F HA -0.258 4.271 4.527 0.004 0.000 0.299 194 F C 2.093 177.880 175.800 -0.022 0.000 1.096 194 F CA 1.671 59.649 58.000 -0.036 0.000 1.255 194 F CB -0.335 38.615 39.000 -0.084 0.000 0.997 194 F HN 0.107 nan 8.300 nan 0.000 0.479 195 D N 0.162 120.560 120.400 -0.003 0.000 2.144 195 D HA -0.257 4.385 4.640 0.004 0.000 0.199 195 D C 2.075 178.300 176.300 -0.124 0.000 0.984 195 D CA 1.466 55.402 54.000 -0.107 0.000 0.834 195 D CB -0.300 40.500 40.800 -0.000 0.000 0.955 195 D HN 0.614 nan 8.370 nan 0.000 0.465 196 E N -0.085 120.080 120.200 -0.060 0.000 2.110 196 E HA -0.129 4.224 4.350 0.004 0.000 0.193 196 E C 2.063 178.615 176.600 -0.081 0.000 0.988 196 E CA 0.969 57.340 56.400 -0.048 0.000 0.804 196 E CB 0.128 29.826 29.700 -0.004 0.000 0.745 196 E HN 0.097 nan 8.360 nan 0.000 0.458 197 S N 0.456 116.099 115.700 -0.095 0.000 2.368 197 S HA -0.111 4.362 4.470 0.004 0.000 0.224 197 S C 1.724 176.214 174.600 -0.183 0.000 1.029 197 S CA 1.079 59.244 58.200 -0.058 0.000 0.988 197 S CB -0.087 63.121 63.200 0.013 0.000 0.838 197 S HN 0.240 nan 8.310 nan 0.000 0.462 198 K N 1.024 121.215 120.400 -0.348 0.000 2.103 198 K HA -0.132 4.191 4.320 0.004 0.000 0.207 198 K C 2.104 178.551 176.600 -0.256 0.000 1.048 198 K CA 1.300 57.359 56.287 -0.381 0.000 0.930 198 K CB -0.128 32.123 32.500 -0.414 0.000 0.716 198 K HN 0.437 nan 8.250 nan 0.000 0.444 199 E N 0.648 120.743 120.200 -0.175 0.000 2.072 199 E HA -0.126 4.226 4.350 0.004 0.000 0.191 199 E C 2.025 178.565 176.600 -0.100 0.000 0.985 199 E CA 0.861 57.197 56.400 -0.107 0.000 0.801 199 E CB -0.039 29.618 29.700 -0.071 0.000 0.750 199 E HN 0.257 nan 8.360 nan 0.000 0.452 200 I N 1.106 121.606 120.570 -0.115 0.000 2.226 200 I HA -0.276 3.897 4.170 0.004 0.000 0.245 200 I C 2.517 178.574 176.117 -0.099 0.000 1.100 200 I CA 0.978 62.217 61.300 -0.101 0.000 1.374 200 I CB -0.280 37.598 38.000 -0.203 0.000 1.057 200 I HN 0.091 nan 8.210 nan 0.000 0.413 201 A N 0.159 122.792 122.820 -0.311 0.000 1.898 201 A HA -0.254 4.068 4.320 0.004 0.000 0.216 201 A C 2.323 179.726 177.584 -0.302 0.000 1.181 201 A CA 1.833 53.515 52.037 -0.593 0.000 0.620 201 A CB -0.600 17.651 19.000 -1.247 0.000 0.819 201 A HN 0.485 nan 8.150 nan 0.000 0.442 202 E N -0.434 119.637 120.200 -0.216 0.000 2.077 202 E HA -0.162 4.190 4.350 0.004 0.000 0.193 202 E C 2.162 178.806 176.600 0.074 0.000 0.989 202 E CA 1.206 57.550 56.400 -0.094 0.000 0.800 202 E CB -0.144 29.556 29.700 0.001 0.000 0.746 202 E HN 0.557 nan 8.360 nan 0.000 0.452 203 S N -0.587 115.155 115.700 0.070 0.000 2.402 203 S HA -0.097 4.375 4.470 0.004 0.000 0.229 203 S C 2.006 176.669 174.600 0.104 0.000 1.021 203 S CA 1.468 59.743 58.200 0.124 0.000 0.974 203 S CB -0.109 63.123 63.200 0.053 0.000 0.800 203 S HN 0.216 nan 8.310 nan 0.000 0.484 204 S N 1.488 117.214 115.700 0.045 0.000 2.371 204 S HA 0.024 4.496 4.470 0.004 0.000 0.224 204 S C 1.855 176.459 174.600 0.006 0.000 1.029 204 S CA 1.108 59.339 58.200 0.050 0.000 0.978 204 S CB -0.356 62.896 63.200 0.086 0.000 0.833 204 S HN 0.549 nan 8.310 nan 0.000 0.466 205 M N 1.045 120.595 119.600 -0.083 0.000 2.065 205 M HA -0.120 4.363 4.480 0.004 0.000 0.259 205 M C 1.571 177.764 176.300 -0.179 0.000 1.069 205 M CA 1.873 57.058 55.300 -0.192 0.000 1.110 205 M CB -1.001 31.381 32.600 -0.363 0.000 1.328 205 M HN 0.330 nan 8.290 nan 0.000 0.405 206 F N 0.479 120.409 119.950 -0.033 0.000 2.171 206 F HA -0.205 4.324 4.527 0.004 0.000 0.300 206 F C 2.425 178.218 175.800 -0.013 0.000 1.090 206 F CA 1.834 59.820 58.000 -0.024 0.000 1.293 206 F CB -0.860 38.124 39.000 -0.027 0.000 1.013 206 F HN 0.438 nan 8.300 nan 0.000 0.486 207 N N 0.813 119.613 118.700 0.166 0.000 2.166 207 N HA -0.178 4.564 4.740 0.004 0.000 0.186 207 N C 1.887 177.436 175.510 0.064 0.000 1.019 207 N CA 0.831 53.941 53.050 0.099 0.000 0.856 207 N CB -0.090 38.443 38.487 0.077 0.000 0.993 207 N HN 0.283 nan 8.380 nan 0.000 0.426 208 L N 0.786 122.033 121.223 0.040 0.000 2.156 208 L HA -0.099 4.243 4.340 0.004 0.000 0.208 208 L C 2.364 179.244 176.870 0.017 0.000 1.095 208 L CA 0.474 55.325 54.840 0.018 0.000 0.770 208 L CB -0.312 41.745 42.059 -0.002 0.000 0.914 208 L HN 0.279 nan 8.230 nan 0.000 0.439 209 L N -0.098 121.136 121.223 0.018 0.000 2.046 209 L HA -0.254 4.089 4.340 0.004 0.000 0.208 209 L C 2.618 179.516 176.870 0.046 0.000 1.077 209 L CA 1.508 56.364 54.840 0.025 0.000 0.747 209 L CB -0.314 41.773 42.059 0.046 0.000 0.896 209 L HN 0.366 nan 8.230 nan 0.000 0.432 210 E N 0.061 120.299 120.200 0.063 0.000 2.072 210 E HA -0.228 4.124 4.350 0.004 0.000 0.191 210 E C 2.343 178.966 176.600 0.038 0.000 0.985 210 E CA 0.987 57.419 56.400 0.053 0.000 0.801 210 E CB -0.005 29.729 29.700 0.056 0.000 0.750 210 E HN 0.398 nan 8.360 nan 0.000 0.452 211 M N 0.740 120.360 119.600 0.035 0.000 2.117 211 M HA -0.152 4.331 4.480 0.004 0.000 0.262 211 M C 2.005 178.321 176.300 0.026 0.000 1.065 211 M CA 1.835 57.151 55.300 0.027 0.000 1.114 211 M CB -0.273 32.341 32.600 0.023 0.000 1.361 211 M HN 0.138 nan 8.290 nan 0.000 0.408 212 D N 0.846 121.261 120.400 0.024 0.000 2.123 212 D HA -0.209 4.433 4.640 0.004 0.000 0.196 212 D C 1.755 178.072 176.300 0.028 0.000 0.992 212 D CA 1.311 55.325 54.000 0.022 0.000 0.833 212 D CB -0.041 40.768 40.800 0.015 0.000 0.954 212 D HN 0.431 nan 8.370 nan 0.000 0.455 213 I N -0.289 120.299 120.570 0.030 0.000 2.617 213 I HA -0.119 4.053 4.170 0.004 0.000 0.256 213 I C 1.639 177.777 176.117 0.036 0.000 1.167 213 I CA 0.974 62.293 61.300 0.032 0.000 1.469 213 I CB -0.097 37.922 38.000 0.031 0.000 1.098 213 I HN 0.054 nan 8.210 nan 0.000 0.436 214 E N 0.182 120.403 120.200 0.035 0.000 2.204 214 E HA -0.261 4.091 4.350 0.004 0.000 0.194 214 E C 2.042 178.669 176.600 0.045 0.000 0.989 214 E CA 0.879 57.301 56.400 0.037 0.000 0.824 214 E CB 0.075 29.794 29.700 0.031 0.000 0.756 214 E HN 0.509 nan 8.360 nan 0.000 0.477 215 Q N -0.012 119.814 119.800 0.043 0.000 2.119 215 Q HA -0.098 4.244 4.340 0.004 0.000 0.201 215 Q C 2.122 178.168 176.000 0.077 0.000 0.972 215 Q CA 0.872 56.707 55.803 0.053 0.000 0.847 215 Q CB 0.095 28.858 28.738 0.042 0.000 0.903 215 Q HN 0.103 nan 8.270 nan 0.000 0.433 216 V N -0.240 119.711 119.914 0.061 0.000 2.515 216 V HA -0.239 3.884 4.120 0.004 0.000 0.250 216 V C 2.003 178.139 176.094 0.069 0.000 1.058 216 V CA 1.833 64.170 62.300 0.061 0.000 1.064 216 V CB -0.494 31.354 31.823 0.042 0.000 0.675 216 V HN 0.300 nan 8.190 nan 0.000 0.461 217 S N -0.540 115.200 115.700 0.066 0.000 2.368 217 S HA -0.247 4.226 4.470 0.004 0.000 0.224 217 S C 1.990 176.651 174.600 0.101 0.000 1.029 217 S CA 1.449 59.689 58.200 0.067 0.000 0.988 217 S CB -0.264 62.970 63.200 0.055 0.000 0.838 217 S HN 0.676 nan 8.310 nan 0.000 0.462 218 Q N 0.630 120.510 119.800 0.133 0.000 2.124 218 Q HA -0.012 4.330 4.340 0.004 0.000 0.202 218 Q C 2.139 178.344 176.000 0.342 0.000 0.977 218 Q CA 1.004 56.944 55.803 0.229 0.000 0.850 218 Q CB -0.370 28.476 28.738 0.180 0.000 0.901 218 Q HN 0.463 nan 8.270 nan 0.000 0.429 219 L N 0.122 121.498 121.223 0.255 0.000 2.083 219 L HA -0.203 4.139 4.340 0.004 0.000 0.209 219 L C 2.421 179.295 176.870 0.005 0.000 1.083 219 L CA 0.814 55.737 54.840 0.139 0.000 0.752 219 L CB -0.331 41.788 42.059 0.101 0.000 0.899 219 L HN 0.179 nan 8.230 nan 0.000 0.433 220 S N -0.200 115.524 115.700 0.041 0.000 2.368 220 S HA -0.181 4.291 4.470 0.004 0.000 0.225 220 S C 2.206 176.809 174.600 0.005 0.000 1.030 220 S CA 1.192 59.402 58.200 0.016 0.000 0.999 220 S CB -0.250 62.969 63.200 0.032 0.000 0.844 220 S HN 0.517 nan 8.310 nan 0.000 0.459 221 A N 1.420 124.267 122.820 0.045 0.000 1.917 221 A HA -0.142 4.180 4.320 0.004 0.000 0.219 221 A C 2.132 179.699 177.584 -0.029 0.000 1.182 221 A CA 1.760 53.828 52.037 0.052 0.000 0.633 221 A CB -0.788 18.296 19.000 0.139 0.000 0.819 221 A HN 0.455 nan 8.150 nan 0.000 0.448 222 L N -0.110 120.998 121.223 -0.190 0.000 1.976 222 L HA -0.102 4.241 4.340 0.004 0.000 0.209 222 L C 2.368 179.121 176.870 -0.194 0.000 1.071 222 L CA 2.230 56.824 54.840 -0.410 0.000 0.746 222 L CB -0.747 40.684 42.059 -1.046 0.000 0.890 222 L HN 0.134 nan 8.230 nan 0.000 0.432 223 V N -0.017 119.807 119.914 -0.151 0.000 2.332 223 V HA -0.356 3.766 4.120 0.004 0.000 0.248 223 V C 2.668 178.760 176.094 -0.004 0.000 1.055 223 V CA 2.180 64.442 62.300 -0.063 0.000 1.038 223 V CB -0.837 30.957 31.823 -0.049 0.000 0.651 223 V HN 0.710 nan 8.190 nan 0.000 0.450 224 Q N -0.150 119.648 119.800 -0.003 0.000 2.124 224 Q HA -0.203 4.139 4.340 0.004 0.000 0.202 224 Q C 2.222 178.247 176.000 0.041 0.000 0.977 224 Q CA 1.914 57.731 55.803 0.023 0.000 0.850 224 Q CB -0.288 28.463 28.738 0.022 0.000 0.901 224 Q HN 0.641 nan 8.270 nan 0.000 0.429 225 A N 0.458 123.295 122.820 0.030 0.000 1.933 225 A HA -0.235 4.087 4.320 0.004 0.000 0.218 225 A C 1.925 179.565 177.584 0.093 0.000 1.175 225 A CA 1.587 53.652 52.037 0.046 0.000 0.628 225 A CB -0.467 18.544 19.000 0.020 0.000 0.814 225 A HN 0.549 nan 8.150 nan 0.000 0.444 226 Q N -1.065 118.802 119.800 0.113 0.000 2.046 226 Q HA -0.114 4.228 4.340 0.004 0.000 0.200 226 Q C 2.108 178.294 176.000 0.311 0.000 0.975 226 Q CA 1.316 57.262 55.803 0.239 0.000 0.836 226 Q CB -0.376 28.511 28.738 0.250 0.000 0.896 226 Q HN 0.560 nan 8.270 nan 0.000 0.428 227 L N 1.500 122.841 121.223 0.197 0.000 1.989 227 L HA -0.253 4.089 4.340 0.004 0.000 0.211 227 L C 2.295 179.243 176.870 0.131 0.000 1.071 227 L CA 2.251 57.185 54.840 0.157 0.000 0.749 227 L CB -0.533 41.576 42.059 0.083 0.000 0.890 227 L HN 0.158 nan 8.230 nan 0.000 0.431 228 E N -1.366 118.898 120.200 0.106 0.000 2.058 228 E HA -0.329 4.023 4.350 0.004 0.000 0.194 228 E C 2.200 178.853 176.600 0.089 0.000 0.997 228 E CA 1.932 58.381 56.400 0.081 0.000 0.801 228 E CB -0.697 29.046 29.700 0.072 0.000 0.746 228 E HN 0.615 nan 8.360 nan 0.000 0.450 229 Y N 0.751 121.038 120.300 -0.022 0.000 2.097 229 Y HA -0.289 4.263 4.550 0.003 0.000 0.282 229 Y C 2.283 178.123 175.900 -0.100 0.000 1.152 229 Y CA 2.554 60.596 58.100 -0.096 0.000 1.136 229 Y CB -0.780 37.566 38.460 -0.190 0.000 0.975 229 Y HN 0.243 nan 8.280 nan 0.000 0.498 230 H N 0.462 119.348 119.070 -0.306 0.000 2.421 230 H HA -0.089 4.468 4.556 0.003 0.000 0.298 230 H C 2.113 177.305 175.328 -0.227 0.000 1.087 230 H CA 1.534 57.340 56.048 -0.404 0.000 1.330 230 H CB 0.095 29.764 29.762 -0.155 0.000 1.388 230 H HN 0.333 nan 8.280 nan 0.000 0.526 231 K N 1.078 121.477 120.400 -0.001 0.000 2.032 231 K HA -0.142 4.180 4.320 0.004 0.000 0.209 231 K C 2.069 178.643 176.600 -0.043 0.000 1.048 231 K CA 1.011 57.293 56.287 -0.009 0.000 0.927 231 K CB -0.312 32.195 32.500 0.011 0.000 0.712 231 K HN 0.500 nan 8.250 nan 0.000 0.441 232 Q N -0.122 119.639 119.800 -0.065 0.000 2.224 232 Q HA -0.014 4.328 4.340 0.004 0.000 0.203 232 Q C 2.041 177.983 176.000 -0.097 0.000 0.970 232 Q CA 1.014 56.781 55.803 -0.061 0.000 0.865 232 Q CB -0.074 28.645 28.738 -0.031 0.000 0.922 232 Q HN 0.321 nan 8.270 nan 0.000 0.445 233 A N 0.291 122.996 122.820 -0.191 0.000 1.930 233 A HA -0.103 4.219 4.320 0.004 0.000 0.217 233 A C 2.284 179.815 177.584 -0.088 0.000 1.175 233 A CA 0.981 52.907 52.037 -0.185 0.000 0.627 233 A CB -0.480 18.320 19.000 -0.334 0.000 0.815 233 A HN 0.186 nan 8.150 nan 0.000 0.443 234 V N 0.190 120.062 119.914 -0.070 0.000 2.261 234 V HA -0.267 3.855 4.120 0.004 0.000 0.246 234 V C 2.751 178.828 176.094 -0.027 0.000 1.047 234 V CA 2.046 64.324 62.300 -0.037 0.000 1.015 234 V CB -0.782 31.025 31.823 -0.027 0.000 0.642 234 V HN 0.549 nan 8.190 nan 0.000 0.446 235 Q N -0.365 119.419 119.800 -0.027 0.000 2.096 235 Q HA -0.168 4.175 4.340 0.004 0.000 0.204 235 Q C 2.219 178.209 176.000 -0.015 0.000 0.982 235 Q CA 1.898 57.690 55.803 -0.017 0.000 0.850 235 Q CB -0.493 28.236 28.738 -0.015 0.000 0.901 235 Q HN 0.611 nan 8.270 nan 0.000 0.422 236 I N 0.236 120.793 120.570 -0.021 0.000 2.226 236 I HA -0.260 3.912 4.170 0.004 0.000 0.245 236 I C 2.227 178.338 176.117 -0.010 0.000 1.100 236 I CA 0.901 62.192 61.300 -0.015 0.000 1.374 236 I CB -0.219 37.770 38.000 -0.017 0.000 1.057 236 I HN 0.108 nan 8.210 nan 0.000 0.413 237 L N -0.164 121.051 121.223 -0.014 0.000 2.179 237 L HA -0.141 4.201 4.340 0.004 0.000 0.208 237 L C 2.589 179.457 176.870 -0.003 0.000 1.096 237 L CA 0.955 55.791 54.840 -0.006 0.000 0.779 237 L CB -0.386 41.669 42.059 -0.008 0.000 0.922 237 L HN 0.260 nan 8.230 nan 0.000 0.443 238 Q N -0.487 119.309 119.800 -0.006 0.000 2.079 238 Q HA -0.270 4.072 4.340 0.004 0.000 0.200 238 Q C 2.097 178.096 176.000 -0.001 0.000 0.974 238 Q CA 1.519 57.320 55.803 -0.004 0.000 0.840 238 Q CB -0.120 28.615 28.738 -0.005 0.000 0.898 238 Q HN 0.520 nan 8.270 nan 0.000 0.430 239 Q N 0.598 120.397 119.800 -0.002 0.000 1.967 239 Q HA -0.162 4.181 4.340 0.004 0.000 0.202 239 Q C 2.191 178.193 176.000 0.003 0.000 0.985 239 Q CA 1.561 57.364 55.803 0.000 0.000 0.839 239 Q CB -0.249 28.489 28.738 -0.001 0.000 0.906 239 Q HN 0.278 nan 8.270 nan 0.000 0.423 240 V N 0.824 120.740 119.914 0.004 0.000 2.546 240 V HA -0.262 3.861 4.120 0.004 0.000 0.254 240 V C 1.949 178.049 176.094 0.010 0.000 1.076 240 V CA 2.448 64.752 62.300 0.008 0.000 1.087 240 V CB -0.617 31.211 31.823 0.009 0.000 0.674 240 V HN 0.592 nan 8.190 nan 0.000 0.470 241 T N -0.355 114.205 114.554 0.009 0.000 2.746 241 T HA -0.153 4.199 4.350 0.004 0.000 0.267 241 T C 1.820 176.526 174.700 0.010 0.000 1.039 241 T CA 1.755 63.861 62.100 0.010 0.000 1.142 241 T CB -0.164 68.708 68.868 0.007 0.000 0.866 241 T HN 0.417 nan 8.240 nan 0.000 0.444 242 V N 1.494 121.412 119.914 0.007 0.000 2.295 242 V HA -0.154 3.969 4.120 0.004 0.000 0.246 242 V C 2.596 178.695 176.094 0.009 0.000 1.049 242 V CA 1.701 64.005 62.300 0.007 0.000 1.024 242 V CB -0.578 31.247 31.823 0.005 0.000 0.648 242 V HN 0.245 nan 8.190 nan 0.000 0.447 243 R N 0.284 120.790 120.500 0.010 0.000 2.117 243 R HA -0.153 4.189 4.340 0.004 0.000 0.243 243 R C 2.023 178.333 176.300 0.016 0.000 1.143 243 R CA 1.846 57.953 56.100 0.011 0.000 0.968 243 R CB -0.701 29.605 30.300 0.010 0.000 0.863 243 R HN 0.520 nan 8.270 nan 0.000 0.444 244 L N -0.032 121.202 121.223 0.019 0.000 2.072 244 L HA -0.082 4.260 4.340 0.004 0.000 0.205 244 L C 2.251 179.134 176.870 0.022 0.000 1.079 244 L CA 1.052 55.907 54.840 0.026 0.000 0.752 244 L CB -0.538 41.539 42.059 0.030 0.000 0.906 244 L HN 0.194 nan 8.230 nan 0.000 0.436 245 E N 0.359 120.569 120.200 0.017 0.000 2.058 245 E HA -0.294 4.059 4.350 0.004 0.000 0.194 245 E C 1.904 178.511 176.600 0.013 0.000 0.997 245 E CA 1.442 57.850 56.400 0.013 0.000 0.801 245 E CB -0.217 29.489 29.700 0.010 0.000 0.746 245 E HN 0.545 nan 8.360 nan 0.000 0.450 246 E N 1.124 121.331 120.200 0.012 0.000 2.051 246 E HA -0.211 4.141 4.350 0.004 0.000 0.192 246 E C 2.297 178.906 176.600 0.014 0.000 0.991 246 E CA 0.981 57.388 56.400 0.012 0.000 0.799 246 E CB -0.017 29.689 29.700 0.010 0.000 0.748 246 E HN 0.069 nan 8.360 nan 0.000 0.449 247 R N 0.471 120.982 120.500 0.018 0.000 2.091 247 R HA -0.140 4.202 4.340 0.004 0.000 0.238 247 R C 2.391 178.706 176.300 0.025 0.000 1.136 247 R CA 1.750 57.864 56.100 0.023 0.000 0.959 247 R CB -0.280 30.038 30.300 0.030 0.000 0.856 247 R HN 0.281 nan 8.270 nan 0.000 0.437 248 I N 0.065 120.649 120.570 0.024 0.000 2.179 248 I HA -0.257 3.915 4.170 0.004 0.000 0.242 248 I C 2.779 178.904 176.117 0.014 0.000 1.088 248 I CA 1.263 62.576 61.300 0.020 0.000 1.357 248 I CB -0.361 37.650 38.000 0.017 0.000 1.051 248 I HN 0.263 nan 8.210 nan 0.000 0.409 249 R N 0.662 121.170 120.500 0.012 0.000 2.120 249 R HA -0.159 4.183 4.340 0.004 0.000 0.234 249 R C 1.842 178.147 176.300 0.009 0.000 1.123 249 R CA 1.209 57.315 56.100 0.009 0.000 0.975 249 R CB 0.139 30.444 30.300 0.008 0.000 0.866 249 R HN 0.386 nan 8.270 nan 0.000 0.446 250 Q N -0.242 119.565 119.800 0.012 0.000 2.319 250 Q HA 0.223 4.565 4.340 0.004 0.000 0.202 250 Q C 0.613 176.622 176.000 0.014 0.000 0.896 250 Q CA 0.433 56.243 55.803 0.011 0.000 0.942 250 Q CB 0.700 29.445 28.738 0.011 0.000 1.083 250 Q HN 0.314 nan 8.270 nan 0.000 0.510 251 A N 0.000 122.830 122.820 0.016 0.000 2.254 251 A HA 0.000 4.322 4.320 0.004 0.000 0.244 251 A CA 0.000 52.049 52.037 0.020 0.000 0.836 251 A CB 0.000 19.010 19.000 0.016 0.000 0.831 251 A HN 0.000 nan 8.150 nan 0.000 0.486