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 3fz3_1_C DATA FIRST_RESID 27 DATA SEQUENCE SPQNQcQLNQ LQAREPDNRI QAEAGQIETW NFNQGDFQcA GVAASRITIQ DATA SEQUENCE RNGLHLPSYS NAPQLIYIVQ GRGVLGAVFS GcPETFEESQ QXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXRQ LDRHQKTRRI REGDVVAIPA GVAYWSYNDG DQELVAVNLF DATA SEQUENCE HVSSDHNQLD QNPRKFYLAG NPENEFNQXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX NGNNVFSGFN TQLLAQALNV NEETARNLQG QNDNRNQIIQ DATA SEQUENCE VRGNLDFVQP PRGRQEREHE ERQQEQLQQE RQQXXXXXXX XGLEETFcSL DATA SEQUENCE RLKENIGNPE RADIFSPRAG RISTLNSHNL PILRFLRLSA ERGFFYRNGI DATA SEQUENCE YSPHWNVNAH SVVYVIRGNA RVQVVNENGD AILDQEVQQG QLFIVPQNHG DATA SEQUENCE VIQQAGNQGF EYFAFKTEEN AFINTLAGRT SFLRALPDEV LANAYQISRE DATA SEQUENCE QARQLKYNRQ ETIALSS 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.612 174.600 0.021 0.000 1.055 27 S CA 0.000 58.210 58.200 0.017 0.000 1.107 27 S CB 0.000 63.208 63.200 0.014 0.000 0.593 28 P HA -0.142 nan 4.420 nan 0.000 0.218 28 P C 0.833 178.148 177.300 0.024 0.000 1.149 28 P CA 1.350 64.465 63.100 0.025 0.000 0.817 28 P CB 0.118 31.832 31.700 0.023 0.000 0.785 29 Q N -0.222 119.590 119.800 0.020 0.000 2.369 29 Q HA -0.005 4.338 4.340 0.005 0.000 0.206 29 Q C 0.772 176.784 176.000 0.020 0.000 0.963 29 Q CA 0.926 56.740 55.803 0.019 0.000 0.894 29 Q CB -0.504 28.243 28.738 0.014 0.000 0.965 29 Q HN 0.478 nan 8.270 nan 0.000 0.475 30 N N 0.305 119.017 118.700 0.020 0.000 2.377 30 N HA 0.009 4.752 4.740 0.005 0.000 0.259 30 N C 0.820 176.343 175.510 0.023 0.000 1.332 30 N CA 0.042 53.105 53.050 0.021 0.000 0.877 30 N CB 0.493 38.989 38.487 0.016 0.000 1.299 30 N HN 0.367 nan 8.380 nan 0.000 0.501 31 Q N -0.672 119.143 119.800 0.025 0.000 2.368 31 Q HA -0.031 4.312 4.340 0.005 0.000 0.210 31 Q C 0.609 176.617 176.000 0.015 0.000 0.982 31 Q CA 1.234 57.051 55.803 0.024 0.000 0.884 31 Q CB -0.255 28.501 28.738 0.030 0.000 0.933 31 Q HN 0.161 nan 8.270 nan 0.000 0.460 32 c N 1.092 119.704 118.600 0.021 0.000 2.778 32 c HA 0.228 4.801 4.570 0.005 0.000 0.294 32 c C 0.119 174.233 174.090 0.041 0.000 1.331 32 c CA -0.520 55.818 56.329 0.016 0.000 1.741 32 c CB -0.593 41.938 42.510 0.035 0.000 2.106 32 c HN 0.446 nan 8.230 nan 0.000 0.603 33 Q N 1.425 121.245 119.800 0.034 0.000 3.006 33 Q HA 0.365 4.708 4.340 0.005 0.000 0.260 33 Q C -0.711 175.307 176.000 0.030 0.000 1.356 33 Q CA 0.251 56.077 55.803 0.037 0.000 1.070 33 Q CB 0.348 29.100 28.738 0.024 0.000 1.507 33 Q HN 0.631 nan 8.270 nan 0.000 0.568 34 L N 1.476 122.721 121.223 0.037 0.000 2.334 34 L HA 0.206 4.549 4.340 0.005 0.000 0.277 34 L C 0.999 177.886 176.870 0.027 0.000 1.075 34 L CA -0.483 54.370 54.840 0.021 0.000 0.804 34 L CB 0.601 42.661 42.059 0.001 0.000 1.174 34 L HN 0.433 nan 8.230 nan 0.000 0.438 35 N N 0.027 118.736 118.700 0.015 0.000 2.407 35 N HA 0.074 4.817 4.740 0.005 0.000 0.182 35 N C 0.127 175.639 175.510 0.004 0.000 1.079 35 N CA -0.083 52.973 53.050 0.009 0.000 0.882 35 N CB 0.254 38.742 38.487 0.003 0.000 1.106 35 N HN 0.495 nan 8.380 nan 0.000 0.461 36 Q N -0.431 119.372 119.800 0.004 0.000 2.451 36 Q HA 0.705 5.048 4.340 0.005 0.000 0.281 36 Q C -2.060 173.941 176.000 0.001 0.000 1.099 36 Q CA -0.723 55.080 55.803 -0.000 0.000 0.806 36 Q CB 2.023 30.761 28.738 -0.001 0.000 1.419 36 Q HN 0.166 nan 8.270 nan 0.000 0.427 37 L N 1.056 122.275 121.223 -0.005 0.000 2.472 37 L HA 0.592 4.935 4.340 0.005 0.000 0.260 37 L C -1.504 175.364 176.870 -0.004 0.000 0.963 37 L CA -0.139 54.698 54.840 -0.005 0.000 0.829 37 L CB 2.484 44.533 42.059 -0.017 0.000 1.348 37 L HN 0.742 nan 8.230 nan 0.000 0.408 38 Q N 1.256 121.070 119.800 0.023 0.000 2.359 38 Q HA 0.859 5.202 4.340 0.005 0.000 0.274 38 Q C -1.234 174.814 176.000 0.080 0.000 1.074 38 Q CA -0.796 55.028 55.803 0.036 0.000 0.810 38 Q CB 2.415 31.192 28.738 0.065 0.000 1.342 38 Q HN 0.806 nan 8.270 nan 0.000 0.427 39 A N 3.514 126.370 122.820 0.060 0.000 2.320 39 A HA 0.732 5.055 4.320 0.005 0.000 0.287 39 A C -0.657 177.042 177.584 0.192 0.000 1.181 39 A CA -0.340 51.790 52.037 0.156 0.000 0.831 39 A CB 0.255 19.295 19.000 0.067 0.000 1.102 39 A HN 0.668 nan 8.150 nan 0.000 0.513 40 R N 2.084 122.768 120.500 0.307 0.000 2.766 40 R HA 0.515 4.858 4.340 0.005 0.000 0.270 40 R C -1.228 175.400 176.300 0.547 0.000 1.035 40 R CA -0.616 55.686 56.100 0.337 0.000 0.911 40 R CB 0.255 30.723 30.300 0.280 0.000 1.243 40 R HN 0.612 nan 8.270 nan 0.000 0.460 41 E N 0.978 121.388 120.200 0.350 0.000 2.292 41 E HA 0.444 4.797 4.350 0.005 0.000 0.258 41 E C -2.239 174.269 176.600 -0.154 0.000 1.115 41 E CA -1.968 54.577 56.400 0.241 0.000 0.929 41 E CB 0.532 30.285 29.700 0.089 0.000 1.161 41 E HN 0.371 nan 8.360 nan 0.000 0.453 42 P HA -0.005 nan 4.420 nan 0.000 0.268 42 P C -0.843 176.178 177.300 -0.465 0.000 1.205 42 P CA 0.341 62.714 63.100 -1.211 0.000 0.771 42 P CB 0.453 31.430 31.700 -1.205 0.000 0.858 43 D N 0.424 120.636 120.400 -0.314 0.000 2.317 43 D HA -0.031 4.612 4.640 0.005 0.000 0.211 43 D C 0.010 176.227 176.300 -0.139 0.000 0.966 43 D CA 1.080 54.996 54.000 -0.139 0.000 0.876 43 D CB -0.117 40.650 40.800 -0.054 0.000 0.927 43 D HN 0.448 nan 8.370 nan 0.000 0.519 44 N N -0.451 118.142 118.700 -0.180 0.000 2.571 44 N HA 0.501 5.244 4.740 0.005 0.000 0.273 44 N C -1.137 174.275 175.510 -0.163 0.000 1.340 44 N CA -0.999 51.966 53.050 -0.141 0.000 0.789 44 N CB 2.070 40.490 38.487 -0.112 0.000 1.514 44 N HN -0.163 nan 8.380 nan 0.000 0.499 45 R N 0.743 121.166 120.500 -0.129 0.000 2.535 45 R HA 0.537 4.880 4.340 0.005 0.000 0.274 45 R C -2.098 174.138 176.300 -0.105 0.000 1.090 45 R CA -0.473 55.553 56.100 -0.124 0.000 0.930 45 R CB 0.911 31.146 30.300 -0.109 0.000 1.223 45 R HN 0.580 nan 8.270 nan 0.000 0.441 46 I N 3.065 123.569 120.570 -0.110 0.000 2.474 46 I HA 0.322 4.495 4.170 0.005 0.000 0.294 46 I C -0.509 175.552 176.117 -0.093 0.000 1.005 46 I CA -0.574 60.665 61.300 -0.102 0.000 1.113 46 I CB 2.084 40.013 38.000 -0.118 0.000 1.289 46 I HN 0.472 nan 8.210 nan 0.000 0.436 47 Q N 4.298 124.050 119.800 -0.080 0.000 2.235 47 Q HA 0.863 5.206 4.340 0.005 0.000 0.256 47 Q C -0.820 175.136 176.000 -0.073 0.000 0.951 47 Q CA -0.717 55.044 55.803 -0.070 0.000 0.890 47 Q CB 2.268 30.972 28.738 -0.056 0.000 1.279 47 Q HN 0.729 nan 8.270 nan 0.000 0.444 48 A N 0.605 123.385 122.820 -0.067 0.000 2.532 48 A HA 0.336 4.659 4.320 0.005 0.000 0.290 48 A C 0.805 178.363 177.584 -0.044 0.000 1.143 48 A CA -0.388 51.611 52.037 -0.063 0.000 0.728 48 A CB 1.092 20.047 19.000 -0.075 0.000 1.317 48 A HN 0.838 nan 8.150 nan 0.000 0.414 49 E N -0.138 120.041 120.200 -0.035 0.000 2.164 49 E HA -0.254 4.099 4.350 0.005 0.000 0.206 49 E C 0.974 177.565 176.600 -0.014 0.000 1.032 49 E CA 2.179 58.567 56.400 -0.021 0.000 0.832 49 E CB -0.074 29.618 29.700 -0.013 0.000 0.742 49 E HN 0.832 nan 8.360 nan 0.000 0.460 50 A N -0.411 122.402 122.820 -0.011 0.000 2.568 50 A HA 0.541 4.864 4.320 0.005 0.000 0.287 50 A C 0.163 177.737 177.584 -0.016 0.000 0.967 50 A CA 0.278 52.312 52.037 -0.005 0.000 1.004 50 A CB 1.024 20.034 19.000 0.017 0.000 1.233 50 A HN 0.368 nan 8.150 nan 0.000 0.513 51 G N -0.332 108.449 108.800 -0.033 0.000 2.341 51 G HA2 0.507 4.470 3.960 0.005 0.000 0.299 51 G HA3 0.507 4.470 3.960 0.005 0.000 0.299 51 G C -1.692 173.169 174.900 -0.065 0.000 1.274 51 G CA -0.032 45.039 45.100 -0.047 0.000 0.853 51 G HN 0.785 nan 8.290 nan 0.000 0.493 52 Q N -1.175 118.579 119.800 -0.077 0.000 2.421 52 Q HA 0.776 5.119 4.340 0.005 0.000 0.280 52 Q C -1.529 174.405 176.000 -0.110 0.000 1.085 52 Q CA -1.017 54.732 55.803 -0.089 0.000 0.807 52 Q CB 2.802 31.496 28.738 -0.074 0.000 1.405 52 Q HN 0.501 nan 8.270 nan 0.000 0.419 53 I N 1.551 122.046 120.570 -0.124 0.000 2.410 53 I HA 0.294 4.467 4.170 0.005 0.000 0.286 53 I C -0.708 175.322 176.117 -0.145 0.000 1.009 53 I CA -0.565 60.654 61.300 -0.135 0.000 1.111 53 I CB 1.836 39.743 38.000 -0.155 0.000 1.262 53 I HN 0.604 nan 8.210 nan 0.000 0.443 54 E N 4.898 125.011 120.200 -0.145 0.000 2.134 54 E HA 0.345 4.698 4.350 0.005 0.000 0.278 54 E C -0.361 176.106 176.600 -0.221 0.000 0.959 54 E CA -0.571 55.708 56.400 -0.202 0.000 0.783 54 E CB 1.650 31.203 29.700 -0.246 0.000 1.095 54 E HN 0.594 nan 8.360 nan 0.000 0.399 55 T N -0.292 114.129 114.554 -0.220 0.000 2.925 55 T HA 0.343 4.696 4.350 0.005 0.000 0.285 55 T C -0.228 174.393 174.700 -0.132 0.000 1.021 55 T CA -0.884 61.144 62.100 -0.119 0.000 1.042 55 T CB 0.925 69.704 68.868 -0.147 0.000 1.037 55 T HN 0.369 nan 8.240 nan 0.000 0.481 56 W N 1.996 123.289 121.300 -0.012 0.000 2.316 56 W HA 0.280 4.943 4.660 0.004 0.000 0.321 56 W C 0.794 177.195 176.519 -0.197 0.000 1.203 56 W CA -0.714 56.578 57.345 -0.089 0.000 1.214 56 W CB 0.808 30.180 29.460 -0.147 0.000 1.169 56 W HN 0.664 nan 8.180 nan 0.000 0.561 57 N N 2.993 121.706 118.700 0.022 0.000 2.440 57 N HA -0.072 4.671 4.740 0.005 0.000 0.265 57 N C 0.504 175.863 175.510 -0.253 0.000 1.239 57 N CA 0.218 53.192 53.050 -0.126 0.000 0.909 57 N CB 0.461 38.896 38.487 -0.087 0.000 1.066 57 N HN 0.315 nan 8.380 nan 0.000 0.474 58 F N 2.319 122.170 119.950 -0.164 0.000 2.789 58 F HA 0.313 4.843 4.527 0.005 0.000 0.300 58 F C 1.247 177.055 175.800 0.013 0.000 1.132 58 F CA -0.241 57.648 58.000 -0.186 0.000 1.404 58 F CB -0.146 38.754 39.000 -0.167 0.000 1.114 58 F HN 0.283 nan 8.300 nan 0.000 0.584 59 N N 0.557 119.025 118.700 -0.388 0.000 2.521 59 N HA -0.052 4.691 4.740 0.005 0.000 0.188 59 N C 0.277 175.787 175.510 0.001 0.000 1.146 59 N CA 0.269 53.220 53.050 -0.165 0.000 0.893 59 N CB -0.159 38.158 38.487 -0.283 0.000 0.975 59 N HN 0.450 nan 8.380 nan 0.000 0.451 60 Q N 0.206 120.065 119.800 0.099 0.000 2.386 60 Q HA 0.028 4.371 4.340 0.005 0.000 0.282 60 Q C 1.547 177.642 176.000 0.159 0.000 1.050 60 Q CA 0.139 56.048 55.803 0.176 0.000 0.918 60 Q CB 0.330 29.279 28.738 0.352 0.000 1.266 60 Q HN 0.207 nan 8.270 nan 0.000 0.423 61 G N 2.952 111.811 108.800 0.097 0.000 2.574 61 G HA2 -0.360 3.603 3.960 0.005 0.000 0.220 61 G HA3 -0.360 3.603 3.960 0.005 0.000 0.220 61 G C 0.851 175.776 174.900 0.041 0.000 1.173 61 G CA 1.485 46.619 45.100 0.057 0.000 0.772 61 G HN 0.786 nan 8.290 nan 0.000 0.585 62 D N 0.157 120.568 120.400 0.019 0.000 2.137 62 D HA -0.062 4.581 4.640 0.005 0.000 0.202 62 D C 2.119 178.334 176.300 -0.142 0.000 0.970 62 D CA 0.511 54.450 54.000 -0.101 0.000 0.837 62 D CB -0.958 39.745 40.800 -0.162 0.000 0.981 62 D HN 0.326 nan 8.370 nan 0.000 0.475 63 F N 1.058 121.013 119.950 0.009 0.000 2.154 63 F HA -0.103 4.426 4.527 0.005 0.000 0.301 63 F C 2.732 178.562 175.800 0.049 0.000 1.087 63 F CA 1.369 59.397 58.000 0.046 0.000 1.274 63 F CB -0.389 38.685 39.000 0.123 0.000 1.009 63 F HN -0.005 nan 8.300 nan 0.000 0.485 64 Q N -1.541 118.384 119.800 0.209 0.000 2.187 64 Q HA -0.168 4.175 4.340 0.005 0.000 0.199 64 Q C 2.476 178.512 176.000 0.060 0.000 0.957 64 Q CA 1.327 57.217 55.803 0.144 0.000 0.857 64 Q CB -0.407 28.405 28.738 0.124 0.000 0.929 64 Q HN 0.571 nan 8.270 nan 0.000 0.453 65 c N 0.081 118.671 118.600 -0.016 0.000 2.446 65 c HA 0.049 4.622 4.570 0.005 0.000 0.277 65 c C 2.683 176.645 174.090 -0.214 0.000 1.275 65 c CA 1.038 57.311 56.329 -0.094 0.000 1.727 65 c CB -0.793 41.629 42.510 -0.147 0.000 2.010 65 c HN 0.545 nan 8.230 nan 0.000 0.486 66 A N -0.629 122.011 122.820 -0.300 0.000 2.014 66 A HA 0.360 4.683 4.320 0.005 0.000 0.218 66 A C 1.994 179.668 177.584 0.149 0.000 1.163 66 A CA 1.688 53.507 52.037 -0.363 0.000 0.652 66 A CB -1.102 17.738 19.000 -0.268 0.000 0.808 66 A HN 1.763 nan 8.150 nan 0.000 0.449 67 G N -1.696 107.203 108.800 0.166 0.000 2.171 67 G HA2 -0.107 3.856 3.960 0.005 0.000 0.238 67 G HA3 -0.107 3.856 3.960 0.005 0.000 0.238 67 G C -0.046 175.047 174.900 0.322 0.000 1.039 67 G CA 0.185 45.420 45.100 0.226 0.000 0.759 67 G HN 0.911 nan 8.290 nan 0.000 0.501 68 V N -0.384 119.731 119.914 0.336 0.000 2.864 68 V HA 0.950 5.073 4.120 0.005 0.000 0.314 68 V C 0.462 176.808 176.094 0.420 0.000 1.073 68 V CA -0.236 62.294 62.300 0.384 0.000 0.956 68 V CB 2.012 34.045 31.823 0.351 0.000 1.023 68 V HN 1.345 nan 8.190 nan 0.000 0.435 69 A N 2.116 125.117 122.820 0.301 0.000 2.401 69 A HA 1.010 5.333 4.320 0.005 0.000 0.310 69 A C -0.492 177.333 177.584 0.401 0.000 1.075 69 A CA -0.245 51.915 52.037 0.204 0.000 0.746 69 A CB 1.798 20.706 19.000 -0.154 0.000 1.277 69 A HN 1.477 nan 8.150 nan 0.000 0.425 70 A N 0.645 123.678 122.820 0.356 0.000 2.454 70 A HA 0.951 5.274 4.320 0.005 0.000 0.302 70 A C -0.168 177.825 177.584 0.682 0.000 1.079 70 A CA 0.095 52.405 52.037 0.455 0.000 0.731 70 A CB 1.436 20.536 19.000 0.166 0.000 1.299 70 A HN 2.408 nan 8.150 nan 0.000 0.413 71 S N 0.831 116.917 115.700 0.644 0.000 2.596 71 S HA 0.813 5.286 4.470 0.005 0.000 0.270 71 S C -1.048 173.781 174.600 0.381 0.000 1.155 71 S CA -0.804 57.674 58.200 0.463 0.000 0.827 71 S CB 1.793 65.127 63.200 0.222 0.000 1.130 71 S HN 1.094 nan 8.310 nan 0.000 0.467 72 R N 1.252 121.855 120.500 0.170 0.000 2.575 72 R HA 0.653 4.996 4.340 0.005 0.000 0.293 72 R C -1.836 174.467 176.300 0.005 0.000 0.983 72 R CA -0.711 55.448 56.100 0.099 0.000 0.887 72 R CB 1.448 31.810 30.300 0.103 0.000 1.184 72 R HN 0.871 nan 8.270 nan 0.000 0.445 73 I N 2.459 123.026 120.570 -0.004 0.000 2.474 73 I HA 0.372 4.545 4.170 0.005 0.000 0.294 73 I C -1.009 175.083 176.117 -0.042 0.000 1.005 73 I CA -0.330 60.943 61.300 -0.045 0.000 1.113 73 I CB 2.335 40.304 38.000 -0.053 0.000 1.289 73 I HN 0.543 nan 8.210 nan 0.000 0.436 74 T N 8.045 122.566 114.554 -0.056 0.000 2.809 74 T HA 0.564 4.917 4.350 0.005 0.000 0.284 74 T C -0.455 174.217 174.700 -0.047 0.000 0.992 74 T CA -0.254 61.822 62.100 -0.040 0.000 0.957 74 T CB 0.721 69.570 68.868 -0.032 0.000 0.942 74 T HN 0.301 nan 8.240 nan 0.000 0.439 75 I N 3.841 124.389 120.570 -0.036 0.000 2.389 75 I HA 0.324 4.497 4.170 0.005 0.000 0.288 75 I C 0.271 176.364 176.117 -0.041 0.000 0.999 75 I CA -0.877 60.403 61.300 -0.032 0.000 1.129 75 I CB 1.844 39.838 38.000 -0.011 0.000 1.288 75 I HN 0.481 nan 8.210 nan 0.000 0.444 76 Q N 4.854 124.632 119.800 -0.036 0.000 2.318 76 Q HA 0.436 4.779 4.340 0.005 0.000 0.222 76 Q C -0.303 175.661 176.000 -0.061 0.000 1.003 76 Q CA -0.854 54.926 55.803 -0.038 0.000 0.936 76 Q CB 0.685 29.408 28.738 -0.024 0.000 1.204 76 Q HN 0.410 nan 8.270 nan 0.000 0.524 77 R N 1.738 122.203 120.500 -0.057 0.000 2.481 77 R HA -0.182 4.161 4.340 0.005 0.000 0.291 77 R C -0.310 175.949 176.300 -0.068 0.000 0.934 77 R CA 0.501 56.557 56.100 -0.073 0.000 1.116 77 R CB -0.347 29.932 30.300 -0.036 0.000 0.895 77 R HN 0.672 nan 8.270 nan 0.000 0.410 78 N N -0.809 117.804 118.700 -0.145 0.000 2.741 78 N HA -0.150 4.593 4.740 0.005 0.000 0.250 78 N C -0.241 175.300 175.510 0.052 0.000 1.115 78 N CA 1.373 54.394 53.050 -0.049 0.000 0.724 78 N CB -0.764 37.791 38.487 0.113 0.000 1.090 78 N HN 0.831 nan 8.380 nan 0.000 0.558 79 G N -0.102 108.655 108.800 -0.072 0.000 2.356 79 G HA2 0.529 4.492 3.960 0.005 0.000 0.298 79 G HA3 0.529 4.492 3.960 0.005 0.000 0.298 79 G C -0.523 174.488 174.900 0.184 0.000 1.145 79 G CA -0.481 44.651 45.100 0.053 0.000 0.850 79 G HN 0.190 nan 8.290 nan 0.000 0.487 80 L N 3.730 125.115 121.223 0.270 0.000 2.316 80 L HA 0.372 4.715 4.340 0.005 0.000 0.280 80 L C -0.486 176.554 176.870 0.283 0.000 1.006 80 L CA -0.695 54.352 54.840 0.345 0.000 0.836 80 L CB 1.180 43.381 42.059 0.237 0.000 1.221 80 L HN 0.714 nan 8.230 nan 0.000 0.418 81 H N 5.969 125.157 119.070 0.196 0.000 2.800 81 H HA 0.274 4.833 4.556 0.005 0.000 0.291 81 H C -0.459 174.971 175.328 0.170 0.000 1.076 81 H CA -0.810 55.330 56.048 0.153 0.000 1.452 81 H CB 0.937 30.779 29.762 0.132 0.000 1.461 81 H HN 0.610 nan 8.280 nan 0.000 0.488 82 L N 7.137 128.510 121.223 0.251 0.000 2.483 82 L HA 0.067 4.410 4.340 0.005 0.000 0.276 82 L C -1.898 174.964 176.870 -0.014 0.000 1.213 82 L CA -1.864 53.057 54.840 0.135 0.000 0.843 82 L CB 0.128 42.306 42.059 0.198 0.000 1.107 82 L HN 0.629 nan 8.230 nan 0.000 0.487 83 P HA -0.003 nan 4.420 nan 0.000 0.260 83 P C -0.851 176.350 177.300 -0.165 0.000 1.185 83 P CA 0.261 63.331 63.100 -0.051 0.000 0.763 83 P CB 0.590 32.332 31.700 0.070 0.000 0.776 84 S N 2.747 118.207 115.700 -0.400 0.000 2.638 84 S HA 0.843 5.316 4.470 0.005 0.000 0.274 84 S C -1.309 173.202 174.600 -0.149 0.000 1.157 84 S CA -0.790 57.126 58.200 -0.473 0.000 0.826 84 S CB 1.402 63.912 63.200 -1.149 0.000 1.139 84 S HN 0.435 nan 8.310 nan 0.000 0.474 85 Y N -1.586 118.657 120.300 -0.096 0.000 2.638 85 Y HA 0.888 5.440 4.550 0.005 0.000 0.339 85 Y C -0.356 175.651 175.900 0.178 0.000 1.084 85 Y CA -1.015 57.117 58.100 0.053 0.000 1.068 85 Y CB 1.246 39.709 38.460 0.004 0.000 1.294 85 Y HN 0.825 nan 8.280 nan 0.000 0.480 86 S N 0.216 116.143 115.700 0.379 0.000 2.568 86 S HA 0.251 4.724 4.470 0.005 0.000 0.293 86 S C 0.300 175.103 174.600 0.338 0.000 1.089 86 S CA -0.641 57.769 58.200 0.351 0.000 0.945 86 S CB 0.824 64.279 63.200 0.425 0.000 1.077 86 S HN 0.902 nan 8.310 nan 0.000 0.485 87 N N 2.018 120.896 118.700 0.297 0.000 2.585 87 N HA 0.017 4.760 4.740 0.005 0.000 0.188 87 N C 0.172 175.779 175.510 0.162 0.000 1.102 87 N CA 0.523 53.694 53.050 0.201 0.000 0.920 87 N CB -0.301 38.290 38.487 0.173 0.000 0.963 87 N HN 0.534 nan 8.380 nan 0.000 0.447 88 A N 0.884 123.832 122.820 0.214 0.000 2.355 88 A HA 0.611 4.934 4.320 0.005 0.000 0.317 88 A C -2.727 175.018 177.584 0.268 0.000 1.094 88 A CA -1.761 50.415 52.037 0.232 0.000 0.764 88 A CB 1.446 20.591 19.000 0.241 0.000 1.230 88 A HN -0.022 nan 8.150 nan 0.000 0.448 89 P HA 0.177 nan 4.420 nan 0.000 0.268 89 P C -0.853 176.534 177.300 0.145 0.000 1.205 89 P CA 0.340 63.539 63.100 0.165 0.000 0.771 89 P CB 0.504 32.308 31.700 0.173 0.000 0.858 90 Q N 1.787 121.593 119.800 0.010 0.000 2.433 90 Q HA 0.688 5.031 4.340 0.005 0.000 0.279 90 Q C -1.319 174.669 176.000 -0.021 0.000 1.105 90 Q CA -1.122 54.593 55.803 -0.146 0.000 0.815 90 Q CB 1.607 29.987 28.738 -0.596 0.000 1.403 90 Q HN 0.283 nan 8.270 nan 0.000 0.435 91 L N 2.323 123.585 121.223 0.065 0.000 2.322 91 L HA 0.573 4.916 4.340 0.005 0.000 0.281 91 L C -0.607 176.256 176.870 -0.011 0.000 1.014 91 L CA -0.941 53.982 54.840 0.138 0.000 0.815 91 L CB 1.490 43.820 42.059 0.451 0.000 1.247 91 L HN 0.601 nan 8.230 nan 0.000 0.421 92 I N 2.934 123.453 120.570 -0.085 0.000 2.362 92 I HA 0.248 4.421 4.170 0.005 0.000 0.289 92 I C -0.977 175.024 176.117 -0.193 0.000 0.994 92 I CA -0.688 60.520 61.300 -0.153 0.000 1.158 92 I CB 1.549 39.436 38.000 -0.189 0.000 1.315 92 I HN 0.436 nan 8.210 nan 0.000 0.451 93 Y N 7.546 127.560 120.300 -0.476 0.000 2.328 93 Y HA 0.479 5.032 4.550 0.005 0.000 0.337 93 Y C -0.398 175.265 175.900 -0.395 0.000 1.008 93 Y CA -0.918 56.778 58.100 -0.674 0.000 1.129 93 Y CB 0.916 38.506 38.460 -1.450 0.000 1.185 93 Y HN 0.299 nan 8.280 nan 0.000 0.476 94 I N 8.468 128.439 120.570 -0.998 0.000 2.304 94 I HA 0.073 4.246 4.170 0.005 0.000 0.291 94 I C 1.037 176.706 176.117 -0.748 0.000 1.018 94 I CA -0.244 60.679 61.300 -0.629 0.000 1.260 94 I CB 0.838 38.584 38.000 -0.423 0.000 1.390 94 I HN 0.735 nan 8.210 nan 0.000 0.475 95 V N 5.418 125.132 119.914 -0.333 0.000 2.725 95 V HA 0.093 4.216 4.120 0.005 0.000 0.247 95 V C 0.485 176.542 176.094 -0.061 0.000 1.058 95 V CA 1.005 63.250 62.300 -0.092 0.000 1.080 95 V CB 0.041 31.951 31.823 0.145 0.000 0.713 95 V HN 0.924 nan 8.190 nan 0.000 0.465 96 Q N -1.087 118.666 119.800 -0.079 0.000 2.472 96 Q HA 0.606 4.949 4.340 0.005 0.000 0.281 96 Q C -0.262 175.703 176.000 -0.059 0.000 0.997 96 Q CA -0.218 55.555 55.803 -0.050 0.000 0.828 96 Q CB 1.614 30.348 28.738 -0.006 0.000 1.443 96 Q HN 1.199 nan 8.270 nan 0.000 0.390 97 G N 1.103 109.874 108.800 -0.047 0.000 2.548 97 G HA2 -0.042 3.921 3.960 0.005 0.000 0.208 97 G HA3 -0.042 3.921 3.960 0.005 0.000 0.208 97 G C -1.283 173.589 174.900 -0.047 0.000 1.308 97 G CA -0.421 44.654 45.100 -0.042 0.000 0.924 97 G HN 0.740 nan 8.290 nan 0.000 0.540 98 R N -0.920 119.557 120.500 -0.038 0.000 2.604 98 R HA 0.620 4.963 4.340 0.005 0.000 0.261 98 R C 0.142 176.434 176.300 -0.012 0.000 1.080 98 R CA -0.110 55.977 56.100 -0.021 0.000 0.917 98 R CB 1.732 32.031 30.300 -0.002 0.000 1.252 98 R HN 1.837 nan 8.270 nan 0.000 0.456 99 G N 0.543 109.349 108.800 0.009 0.000 2.578 99 G HA2 0.533 4.496 3.960 0.005 0.000 0.302 99 G HA3 0.533 4.496 3.960 0.005 0.000 0.302 99 G C -1.785 173.166 174.900 0.084 0.000 1.243 99 G CA -0.377 44.749 45.100 0.043 0.000 0.843 99 G HN 0.284 nan 8.290 nan 0.000 0.486 100 V N 0.402 120.381 119.914 0.110 0.000 2.638 100 V HA 0.663 4.786 4.120 0.005 0.000 0.306 100 V C -0.796 175.219 176.094 -0.132 0.000 1.052 100 V CA -0.560 61.773 62.300 0.054 0.000 0.885 100 V CB 1.588 33.527 31.823 0.193 0.000 0.999 100 V HN 0.742 nan 8.190 nan 0.000 0.424 101 L N 3.652 124.714 121.223 -0.267 0.000 2.341 101 L HA 0.934 5.277 4.340 0.005 0.000 0.278 101 L C 0.362 176.802 176.870 -0.716 0.000 1.005 101 L CA -0.074 54.505 54.840 -0.436 0.000 0.818 101 L CB 1.785 43.697 42.059 -0.245 0.000 1.259 101 L HN 0.776 nan 8.230 nan 0.000 0.418 102 G N 4.102 112.135 108.800 -1.277 0.000 2.671 102 G HA2 0.635 4.598 3.960 0.005 0.000 0.318 102 G HA3 0.635 4.598 3.960 0.005 0.000 0.318 102 G C -0.655 173.807 174.900 -0.731 0.000 1.250 102 G CA -0.190 44.197 45.100 -1.188 0.000 1.028 102 G HN 0.837 nan 8.290 nan 0.000 0.501 103 A N 1.878 124.448 122.820 -0.417 0.000 2.327 103 A HA 0.706 5.029 4.320 0.005 0.000 0.283 103 A C 0.213 177.506 177.584 -0.485 0.000 1.127 103 A CA -0.519 51.278 52.037 -0.400 0.000 0.810 103 A CB 1.381 20.110 19.000 -0.453 0.000 1.066 103 A HN 1.731 nan 8.150 nan 0.000 0.492 104 V N 2.013 121.631 119.914 -0.494 0.000 2.448 104 V HA 0.768 4.891 4.120 0.005 0.000 0.295 104 V C -1.219 174.520 176.094 -0.591 0.000 1.025 104 V CA -0.751 61.313 62.300 -0.393 0.000 0.859 104 V CB 0.725 32.491 31.823 -0.095 0.000 0.988 104 V HN 0.614 nan 8.190 nan 0.000 0.431 105 F N 4.231 124.173 119.950 -0.013 0.000 2.385 105 F HA 0.453 4.983 4.527 0.004 0.000 0.360 105 F C 1.144 176.928 175.800 -0.027 0.000 1.122 105 F CA -0.290 57.695 58.000 -0.025 0.000 1.090 105 F CB 1.739 40.726 39.000 -0.021 0.000 1.150 105 F HN 0.674 nan 8.300 nan 0.000 0.472 106 S N 3.100 118.855 115.700 0.093 0.000 2.673 106 S HA 0.221 4.694 4.470 0.005 0.000 0.308 106 S C 1.281 175.903 174.600 0.037 0.000 1.246 106 S CA 0.827 59.045 58.200 0.030 0.000 1.077 106 S CB -0.259 62.932 63.200 -0.015 0.000 0.814 106 S HN 1.197 nan 8.310 nan 0.000 0.503 107 G N 3.729 112.547 108.800 0.028 0.000 2.212 107 G HA2 -0.282 3.681 3.960 0.005 0.000 0.267 107 G HA3 -0.282 3.681 3.960 0.005 0.000 0.267 107 G C 0.474 175.396 174.900 0.036 0.000 1.002 107 G CA 0.285 45.399 45.100 0.023 0.000 0.729 107 G HN 0.888 nan 8.290 nan 0.000 0.517 108 c N 1.700 120.342 118.600 0.070 0.000 2.534 108 c HA 0.635 5.208 4.570 0.005 0.000 0.385 108 c C -0.649 173.485 174.090 0.074 0.000 1.264 108 c CA -0.897 55.478 56.329 0.077 0.000 2.342 108 c CB 1.075 43.658 42.510 0.121 0.000 2.564 108 c HN 0.537 nan 8.230 nan 0.000 0.603 109 P HA 0.355 nan 4.420 nan 0.000 0.281 109 P C -1.161 176.187 177.300 0.079 0.000 1.264 109 P CA -0.350 62.789 63.100 0.064 0.000 0.824 109 P CB 0.553 32.285 31.700 0.053 0.000 1.092 110 E N -0.053 120.194 120.200 0.079 0.000 2.324 110 E HA 0.220 4.573 4.350 0.005 0.000 0.271 110 E C 0.692 177.352 176.600 0.099 0.000 1.028 110 E CA 0.418 56.872 56.400 0.089 0.000 0.890 110 E CB -0.070 29.679 29.700 0.081 0.000 1.004 110 E HN 0.419 nan 8.360 nan 0.000 0.431 111 T N -0.331 114.312 114.554 0.148 0.000 3.091 111 T HA 0.265 4.618 4.350 0.005 0.000 0.277 111 T C -0.185 174.744 174.700 0.382 0.000 0.996 111 T CA -0.362 61.861 62.100 0.206 0.000 0.897 111 T CB 0.024 69.019 68.868 0.211 0.000 1.109 111 T HN 0.111 nan 8.240 nan 0.000 0.534 112 F N 3.746 123.653 119.950 -0.073 0.000 2.347 112 F HA 0.549 5.079 4.527 0.004 0.000 0.366 112 F C 0.153 175.803 175.800 -0.250 0.000 1.107 112 F CA -2.088 55.820 58.000 -0.153 0.000 1.058 112 F CB 1.098 39.982 39.000 -0.193 0.000 1.236 112 F HN 0.311 nan 8.300 nan 0.000 0.456 113 E N 2.557 122.744 120.200 -0.022 0.000 2.314 113 E HA 0.372 4.725 4.350 0.005 0.000 0.272 113 E C -1.146 175.436 176.600 -0.029 0.000 0.884 113 E CA -0.930 55.452 56.400 -0.030 0.000 0.753 113 E CB 2.109 31.810 29.700 0.001 0.000 1.213 113 E HN 0.404 nan 8.360 nan 0.000 0.432 114 E N 1.497 121.692 120.200 -0.008 0.000 2.392 114 E HA 0.127 4.480 4.350 0.005 0.000 0.264 114 E C -0.346 176.249 176.600 -0.009 0.000 1.024 114 E CA -0.003 56.394 56.400 -0.004 0.000 0.903 114 E CB 0.881 30.588 29.700 0.012 0.000 0.963 114 E HN 0.417 nan 8.360 nan 0.000 0.432 115 S N 2.206 117.896 115.700 -0.016 0.000 2.560 115 S HA -0.079 4.394 4.470 0.005 0.000 0.284 115 S C 1.391 175.987 174.600 -0.007 0.000 1.327 115 S CA -0.269 57.922 58.200 -0.014 0.000 1.055 115 S CB 0.790 63.978 63.200 -0.019 0.000 0.868 115 S HN 0.592 nan 8.310 nan 0.000 0.506 116 Q N 1.190 120.987 119.800 -0.005 0.000 2.245 116 Q HA 0.027 4.370 4.340 0.005 0.000 0.201 116 Q C 0.184 176.182 176.000 -0.003 0.000 0.955 116 Q CA 0.668 56.470 55.803 -0.002 0.000 0.870 116 Q CB 0.119 28.857 28.738 0.000 0.000 0.945 116 Q HN 0.480 nan 8.270 nan 0.000 0.461 186 Q N 0.523 120.331 119.800 0.014 0.000 2.425 186 Q HA 0.316 4.659 4.340 0.005 0.000 0.204 186 Q C 0.201 176.212 176.000 0.018 0.000 0.933 186 Q CA 0.625 56.436 55.803 0.013 0.000 0.939 186 Q CB 0.328 29.072 28.738 0.009 0.000 1.044 186 Q HN 0.333 nan 8.270 nan 0.000 0.513 187 L N 0.416 121.652 121.223 0.021 0.000 2.357 187 L HA 0.286 4.629 4.340 0.005 0.000 0.273 187 L C 0.070 176.966 176.870 0.043 0.000 1.080 187 L CA -0.936 53.920 54.840 0.027 0.000 0.803 187 L CB 0.806 42.877 42.059 0.020 0.000 1.174 187 L HN -0.060 nan 8.230 nan 0.000 0.443 188 D N 2.513 122.948 120.400 0.059 0.000 2.351 188 D HA 0.303 4.946 4.640 0.005 0.000 0.251 188 D C -0.543 175.806 176.300 0.082 0.000 1.137 188 D CA -0.068 53.992 54.000 0.101 0.000 0.879 188 D CB 0.651 41.537 40.800 0.143 0.000 1.181 188 D HN 0.482 nan 8.370 nan 0.000 0.448 189 R N 1.757 122.314 120.500 0.096 0.000 2.707 189 R HA 0.687 5.030 4.340 0.005 0.000 0.272 189 R C -1.384 174.984 176.300 0.112 0.000 1.011 189 R CA -0.857 55.255 56.100 0.020 0.000 0.893 189 R CB 1.529 31.844 30.300 0.025 0.000 1.233 189 R HN 0.676 nan 8.270 nan 0.000 0.464 190 H N -1.130 118.040 119.070 0.168 0.000 2.932 190 H HA 0.251 4.810 4.556 0.005 0.000 0.307 190 H C -1.302 174.095 175.328 0.114 0.000 1.391 190 H CA -1.124 55.009 56.048 0.141 0.000 1.130 190 H CB 0.689 30.545 29.762 0.157 0.000 1.836 190 H HN 0.612 nan 8.280 nan 0.000 0.522 191 Q N 0.820 120.766 119.800 0.244 0.000 2.454 191 Q HA 0.079 4.422 4.340 0.005 0.000 0.247 191 Q C -0.107 175.821 176.000 -0.119 0.000 1.028 191 Q CA -0.491 55.361 55.803 0.081 0.000 0.910 191 Q CB 0.908 29.698 28.738 0.086 0.000 1.276 191 Q HN 0.558 nan 8.270 nan 0.000 0.489 192 K N 1.064 121.190 120.400 -0.457 0.000 2.543 192 K HA -0.110 4.213 4.320 0.005 0.000 0.279 192 K C -0.765 175.521 176.600 -0.524 0.000 1.001 192 K CA 0.661 56.343 56.287 -1.007 0.000 1.088 192 K CB 0.378 32.564 32.500 -0.524 0.000 0.863 192 K HN 0.416 nan 8.250 nan 0.000 0.488 193 T N 4.618 118.852 114.554 -0.533 0.000 2.824 193 T HA 0.376 4.729 4.350 0.005 0.000 0.280 193 T C -0.782 173.883 174.700 -0.059 0.000 0.995 193 T CA -0.695 61.300 62.100 -0.175 0.000 1.009 193 T CB 0.670 69.621 68.868 0.138 0.000 0.955 193 T HN 0.564 nan 8.240 nan 0.000 0.452 194 R N 1.989 122.432 120.500 -0.095 0.000 2.562 194 R HA 0.529 4.872 4.340 0.005 0.000 0.298 194 R C -0.476 175.823 176.300 -0.002 0.000 0.961 194 R CA -1.077 55.007 56.100 -0.026 0.000 0.881 194 R CB 1.697 31.957 30.300 -0.065 0.000 1.159 194 R HN 0.363 nan 8.270 nan 0.000 0.450 195 R N 3.953 124.485 120.500 0.054 0.000 2.298 195 R HA 0.262 4.605 4.340 0.005 0.000 0.310 195 R C -0.275 176.032 176.300 0.012 0.000 1.068 195 R CA -0.139 55.998 56.100 0.062 0.000 0.957 195 R CB 0.240 30.596 30.300 0.093 0.000 1.003 195 R HN 0.678 nan 8.270 nan 0.000 0.454 196 I N 1.674 122.239 120.570 -0.008 0.000 2.525 196 I HA 0.707 4.880 4.170 0.005 0.000 0.301 196 I C -0.560 175.529 176.117 -0.047 0.000 0.992 196 I CA -1.287 59.985 61.300 -0.046 0.000 1.162 196 I CB 1.943 39.897 38.000 -0.077 0.000 1.332 196 I HN 0.828 nan 8.210 nan 0.000 0.458 197 R N 2.031 122.484 120.500 -0.079 0.000 2.733 197 R HA 0.364 4.707 4.340 0.005 0.000 0.272 197 R C -1.093 175.119 176.300 -0.146 0.000 1.029 197 R CA -0.945 55.104 56.100 -0.085 0.000 0.888 197 R CB 0.909 31.183 30.300 -0.044 0.000 1.251 197 R HN 0.740 nan 8.270 nan 0.000 0.464 198 E N 0.151 120.267 120.200 -0.141 0.000 3.131 198 E HA -0.082 4.271 4.350 0.005 0.000 0.258 198 E C 0.570 177.060 176.600 -0.184 0.000 0.901 198 E CA 2.250 58.543 56.400 -0.178 0.000 0.964 198 E CB -0.116 29.531 29.700 -0.089 0.000 0.903 198 E HN 0.839 nan 8.360 nan 0.000 0.537 199 G N 3.979 112.573 108.800 -0.343 0.000 2.213 199 G HA2 -0.219 3.744 3.960 0.005 0.000 0.236 199 G HA3 -0.219 3.744 3.960 0.005 0.000 0.236 199 G C -0.243 174.562 174.900 -0.159 0.000 0.991 199 G CA 0.079 45.087 45.100 -0.153 0.000 0.629 199 G HN 0.638 nan 8.290 nan 0.000 0.517 200 D N 0.738 120.977 120.400 -0.268 0.000 2.350 200 D HA 0.478 5.121 4.640 0.005 0.000 0.249 200 D C 0.422 176.607 176.300 -0.193 0.000 1.119 200 D CA 0.073 53.977 54.000 -0.160 0.000 0.886 200 D CB 1.887 42.604 40.800 -0.138 0.000 1.195 200 D HN 0.155 nan 8.370 nan 0.000 0.437 201 V N 2.863 122.761 119.914 -0.027 0.000 2.394 201 V HA 0.267 4.390 4.120 0.005 0.000 0.282 201 V C 0.202 176.285 176.094 -0.019 0.000 1.031 201 V CA -0.726 61.580 62.300 0.010 0.000 0.881 201 V CB 1.731 33.656 31.823 0.171 0.000 0.982 201 V HN 0.316 nan 8.190 nan 0.000 0.451 202 V N 5.048 124.922 119.914 -0.067 0.000 2.513 202 V HA 0.929 5.052 4.120 0.005 0.000 0.299 202 V C 0.166 176.220 176.094 -0.067 0.000 1.035 202 V CA -0.329 61.923 62.300 -0.079 0.000 0.889 202 V CB 1.642 33.385 31.823 -0.133 0.000 0.988 202 V HN 1.041 nan 8.190 nan 0.000 0.440 203 A N 7.953 130.754 122.820 -0.032 0.000 2.260 203 A HA 0.804 5.127 4.320 0.005 0.000 0.314 203 A C -0.593 176.969 177.584 -0.036 0.000 1.257 203 A CA -0.609 51.428 52.037 0.000 0.000 0.871 203 A CB 0.393 19.426 19.000 0.054 0.000 1.166 203 A HN 0.769 nan 8.150 nan 0.000 0.522 204 I N 4.190 124.717 120.570 -0.073 0.000 2.382 204 I HA 0.313 4.486 4.170 0.005 0.000 0.286 204 I C -2.544 173.584 176.117 0.018 0.000 1.002 204 I CA -2.413 58.835 61.300 -0.086 0.000 1.135 204 I CB 1.306 39.153 38.000 -0.256 0.000 1.288 204 I HN 0.332 nan 8.210 nan 0.000 0.448 205 P HA 0.113 nan 4.420 nan 0.000 0.269 205 P C -0.093 177.265 177.300 0.096 0.000 1.215 205 P CA -0.264 62.902 63.100 0.110 0.000 0.780 205 P CB 0.646 32.486 31.700 0.233 0.000 0.898 206 A N 2.340 125.210 122.820 0.083 0.000 2.565 206 A HA 0.367 4.690 4.320 0.005 0.000 0.237 206 A C 1.543 179.189 177.584 0.104 0.000 1.053 206 A CA 0.914 53.028 52.037 0.127 0.000 0.755 206 A CB -1.552 17.528 19.000 0.134 0.000 0.980 206 A HN 0.907 nan 8.150 nan 0.000 0.506 207 G N 0.724 109.603 108.800 0.132 0.000 2.176 207 G HA2 -0.146 3.817 3.960 0.005 0.000 0.253 207 G HA3 -0.146 3.817 3.960 0.005 0.000 0.253 207 G C 0.141 174.954 174.900 -0.144 0.000 0.979 207 G CA 0.158 45.238 45.100 -0.033 0.000 0.641 207 G HN 1.496 nan 8.290 nan 0.000 0.530 208 V N 1.564 121.480 119.914 0.004 0.000 2.350 208 V HA 0.723 4.846 4.120 0.005 0.000 0.276 208 V C 0.855 176.972 176.094 0.038 0.000 1.028 208 V CA -0.229 62.037 62.300 -0.057 0.000 0.860 208 V CB 1.196 32.979 31.823 -0.068 0.000 0.990 208 V HN 1.006 nan 8.190 nan 0.000 0.453 209 A N 6.143 128.951 122.820 -0.018 0.000 2.388 209 A HA 0.727 5.050 4.320 0.005 0.000 0.257 209 A C -0.667 176.962 177.584 0.075 0.000 1.095 209 A CA -0.066 52.026 52.037 0.092 0.000 0.791 209 A CB 0.219 19.263 19.000 0.074 0.000 1.029 209 A HN 1.166 nan 8.150 nan 0.000 0.489 210 Y N -0.173 120.078 120.300 -0.083 0.000 2.625 210 Y HA 0.792 5.344 4.550 0.004 0.000 0.338 210 Y C -1.179 174.668 175.900 -0.088 0.000 1.123 210 Y CA -1.930 56.064 58.100 -0.177 0.000 1.046 210 Y CB 1.016 39.326 38.460 -0.250 0.000 1.299 210 Y HN 0.871 nan 8.280 nan 0.000 0.464 211 W N 1.365 122.529 121.300 -0.227 0.000 3.107 211 W HA 0.815 5.477 4.660 0.004 0.000 0.331 211 W C -1.842 174.659 176.519 -0.031 0.000 1.204 211 W CA -0.998 56.175 57.345 -0.287 0.000 1.184 211 W CB 1.420 30.766 29.460 -0.190 0.000 1.421 211 W HN 0.996 nan 8.180 nan 0.000 0.544 212 S N 0.905 116.782 115.700 0.295 0.000 2.661 212 S HA 0.816 5.289 4.470 0.005 0.000 0.285 212 S C -1.934 172.964 174.600 0.495 0.000 1.138 212 S CA -0.730 57.627 58.200 0.261 0.000 0.855 212 S CB 3.025 66.347 63.200 0.204 0.000 1.136 212 S HN 0.731 nan 8.310 nan 0.000 0.484 213 Y N 1.025 121.468 120.300 0.238 0.000 2.482 213 Y HA 0.579 5.132 4.550 0.005 0.000 0.334 213 Y C -1.668 174.327 175.900 0.159 0.000 1.091 213 Y CA -0.757 57.484 58.100 0.235 0.000 1.027 213 Y CB 1.673 40.325 38.460 0.320 0.000 1.306 213 Y HN 0.854 nan 8.280 nan 0.000 0.446 214 N N 4.354 122.689 118.700 -0.608 0.000 2.699 214 N HA 0.164 4.907 4.740 0.005 0.000 0.232 214 N C -0.478 174.667 175.510 -0.609 0.000 1.027 214 N CA -0.399 52.395 53.050 -0.426 0.000 0.920 214 N CB 0.516 38.858 38.487 -0.242 0.000 1.148 214 N HN 0.750 nan 8.380 nan 0.000 0.509 215 D N 1.045 121.253 120.400 -0.321 0.000 2.342 215 D HA 0.156 4.799 4.640 0.005 0.000 0.221 215 D C 0.742 177.038 176.300 -0.007 0.000 1.101 215 D CA -0.362 53.587 54.000 -0.086 0.000 0.837 215 D CB -0.076 40.906 40.800 0.304 0.000 0.938 215 D HN 0.425 nan 8.370 nan 0.000 0.508 216 G N -0.142 108.631 108.800 -0.045 0.000 2.671 216 G HA2 0.251 4.214 3.960 0.005 0.000 0.275 216 G HA3 0.251 4.214 3.960 0.005 0.000 0.275 216 G C 0.093 174.980 174.900 -0.023 0.000 1.368 216 G CA -0.384 44.708 45.100 -0.014 0.000 1.044 216 G HN -0.144 nan 8.290 nan 0.000 0.543 217 D N -0.506 119.888 120.400 -0.011 0.000 2.113 217 D HA 0.044 4.687 4.640 0.005 0.000 0.206 217 D C 1.778 178.071 176.300 -0.013 0.000 0.979 217 D CA 0.936 54.932 54.000 -0.007 0.000 0.862 217 D CB -0.129 40.671 40.800 -0.000 0.000 1.013 217 D HN 0.597 nan 8.370 nan 0.000 0.455 218 Q N 0.701 120.493 119.800 -0.013 0.000 2.414 218 Q HA 0.228 4.571 4.340 0.005 0.000 0.206 218 Q C -0.191 175.795 176.000 -0.023 0.000 1.058 218 Q CA -0.396 55.399 55.803 -0.013 0.000 1.025 218 Q CB 0.515 29.248 28.738 -0.007 0.000 1.196 218 Q HN 0.062 nan 8.270 nan 0.000 0.586 219 E N 0.043 120.232 120.200 -0.019 0.000 2.398 219 E HA 0.110 4.463 4.350 0.005 0.000 0.263 219 E C -0.983 175.599 176.600 -0.029 0.000 1.046 219 E CA -0.324 56.061 56.400 -0.025 0.000 0.908 219 E CB 0.631 30.322 29.700 -0.016 0.000 0.963 219 E HN 0.298 nan 8.360 nan 0.000 0.431 220 L N 4.023 125.223 121.223 -0.038 0.000 2.264 220 L HA 0.262 4.605 4.340 0.005 0.000 0.289 220 L C -1.217 175.631 176.870 -0.036 0.000 1.044 220 L CA -0.409 54.405 54.840 -0.042 0.000 0.807 220 L CB 1.251 43.283 42.059 -0.046 0.000 1.192 220 L HN 0.191 nan 8.230 nan 0.000 0.425 221 V N 5.101 124.990 119.914 -0.042 0.000 2.487 221 V HA 0.906 5.029 4.120 0.005 0.000 0.298 221 V C -0.036 176.017 176.094 -0.067 0.000 1.028 221 V CA -0.304 61.976 62.300 -0.034 0.000 0.860 221 V CB 1.158 32.981 31.823 -0.001 0.000 0.991 221 V HN 0.967 nan 8.190 nan 0.000 0.427 222 A N 4.166 126.949 122.820 -0.062 0.000 2.435 222 A HA 0.897 5.220 4.320 0.005 0.000 0.304 222 A C -1.114 176.419 177.584 -0.085 0.000 1.064 222 A CA -0.617 51.361 52.037 -0.099 0.000 0.727 222 A CB 2.084 21.039 19.000 -0.074 0.000 1.284 222 A HN 0.608 nan 8.150 nan 0.000 0.415 223 V N 3.106 122.936 119.914 -0.140 0.000 2.370 223 V HA 0.291 4.414 4.120 0.005 0.000 0.279 223 V C -0.230 175.818 176.094 -0.076 0.000 1.029 223 V CA -0.714 61.509 62.300 -0.129 0.000 0.870 223 V CB 1.330 32.924 31.823 -0.382 0.000 0.984 223 V HN 0.857 nan 8.190 nan 0.000 0.451 224 N N 5.517 124.219 118.700 0.002 0.000 2.425 224 N HA 0.459 5.202 4.740 0.005 0.000 0.268 224 N C -1.438 173.988 175.510 -0.140 0.000 0.991 224 N CA -0.620 52.370 53.050 -0.100 0.000 0.931 224 N CB 2.062 40.544 38.487 -0.009 0.000 1.130 224 N HN 0.333 nan 8.380 nan 0.000 0.493 225 L N 3.626 124.627 121.223 -0.370 0.000 2.325 225 L HA 0.520 4.863 4.340 0.005 0.000 0.281 225 L C -0.752 175.740 176.870 -0.630 0.000 1.004 225 L CA -0.477 54.051 54.840 -0.519 0.000 0.823 225 L CB 0.788 42.227 42.059 -1.034 0.000 1.236 225 L HN 0.395 nan 8.230 nan 0.000 0.415 226 F N 1.762 121.607 119.950 -0.174 0.000 2.427 226 F HA 0.312 4.842 4.527 0.005 0.000 0.346 226 F C 0.913 176.786 175.800 0.122 0.000 1.120 226 F CA -0.531 57.472 58.000 0.005 0.000 1.033 226 F CB 0.929 39.931 39.000 0.003 0.000 1.126 226 F HN 0.400 nan 8.300 nan 0.000 0.462 227 H N 3.722 122.973 119.070 0.301 0.000 2.914 227 H HA 0.248 4.807 4.556 0.005 0.000 0.264 227 H C 0.561 176.008 175.328 0.198 0.000 1.433 227 H CA -0.392 55.842 56.048 0.310 0.000 1.342 227 H CB 0.816 30.781 29.762 0.338 0.000 1.582 227 H HN 0.607 nan 8.280 nan 0.000 0.525 228 V N 3.281 123.281 119.914 0.143 0.000 2.548 228 V HA -0.196 3.927 4.120 0.005 0.000 0.249 228 V C 2.021 178.040 176.094 -0.125 0.000 1.055 228 V CA 1.964 64.250 62.300 -0.023 0.000 1.065 228 V CB -0.057 31.718 31.823 -0.080 0.000 0.681 228 V HN 0.741 nan 8.190 nan 0.000 0.462 229 S N -0.729 114.841 115.700 -0.217 0.000 2.685 229 S HA 0.144 4.617 4.470 0.005 0.000 0.240 229 S C 0.768 175.065 174.600 -0.504 0.000 0.967 229 S CA 0.085 58.136 58.200 -0.250 0.000 1.009 229 S CB -0.162 62.993 63.200 -0.076 0.000 0.776 229 S HN 0.390 nan 8.310 nan 0.000 0.467 230 S N 1.976 117.278 115.700 -0.664 0.000 2.572 230 S HA 0.086 4.559 4.470 0.005 0.000 0.279 230 S C 0.931 175.387 174.600 -0.239 0.000 1.341 230 S CA -0.013 57.917 58.200 -0.449 0.000 1.043 230 S CB 0.374 63.490 63.200 -0.139 0.000 0.887 230 S HN 0.613 nan 8.310 nan 0.000 0.516 231 D N 1.955 122.194 120.400 -0.267 0.000 2.363 231 D HA -0.049 4.594 4.640 0.005 0.000 0.226 231 D C 1.031 177.168 176.300 -0.272 0.000 1.020 231 D CA 0.670 54.523 54.000 -0.245 0.000 0.892 231 D CB -0.412 40.271 40.800 -0.195 0.000 0.900 231 D HN 0.683 nan 8.370 nan 0.000 0.531 232 H N -0.121 118.903 119.070 -0.077 0.000 2.524 232 H HA 0.022 4.581 4.556 0.005 0.000 0.282 232 H C 0.295 175.615 175.328 -0.013 0.000 1.016 232 H CA 0.669 56.687 56.048 -0.050 0.000 1.270 232 H CB -0.193 29.519 29.762 -0.083 0.000 1.394 232 H HN 0.202 nan 8.280 nan 0.000 0.568 233 N N 1.465 120.194 118.700 0.048 0.000 2.485 233 N HA 0.006 4.749 4.740 0.005 0.000 0.243 233 N C 0.372 175.885 175.510 0.005 0.000 0.987 233 N CA -0.056 53.014 53.050 0.034 0.000 0.940 233 N CB 0.799 39.290 38.487 0.006 0.000 1.122 233 N HN 0.080 nan 8.380 nan 0.000 0.509 234 Q N 2.562 122.375 119.800 0.023 0.000 2.319 234 Q HA 0.194 4.537 4.340 0.005 0.000 0.202 234 Q C 0.633 176.643 176.000 0.017 0.000 0.896 234 Q CA 0.055 55.866 55.803 0.013 0.000 0.942 234 Q CB 0.687 29.438 28.738 0.021 0.000 1.083 234 Q HN 0.632 nan 8.270 nan 0.000 0.510 235 L N 0.344 121.581 121.223 0.023 0.000 2.195 235 L HA 0.042 4.385 4.340 0.005 0.000 0.210 235 L C 0.478 177.352 176.870 0.006 0.000 1.167 235 L CA 0.527 55.383 54.840 0.027 0.000 2.087 235 L CB -0.005 42.086 42.059 0.053 0.000 1.781 235 L HN 0.197 nan 8.230 nan 0.000 0.963 236 D N -3.806 116.587 120.400 -0.010 0.000 2.812 236 D HA 0.098 4.741 4.640 0.005 0.000 0.318 236 D C -0.095 176.173 176.300 -0.053 0.000 1.234 236 D CA -0.622 53.366 54.000 -0.021 0.000 0.989 236 D CB 0.225 41.021 40.800 -0.006 0.000 1.442 236 D HN -0.047 nan 8.370 nan 0.000 0.537 237 Q N -0.602 119.175 119.800 -0.037 0.000 2.541 237 Q HA 0.095 4.438 4.340 0.005 0.000 0.215 237 Q C -0.529 175.383 176.000 -0.148 0.000 0.977 237 Q CA 0.477 56.250 55.803 -0.051 0.000 0.934 237 Q CB -1.208 27.540 28.738 0.017 0.000 0.988 237 Q HN 0.408 nan 8.270 nan 0.000 0.521 238 N N 2.500 121.076 118.700 -0.208 0.000 2.419 238 N HA 0.182 4.925 4.740 0.005 0.000 0.264 238 N C -2.616 172.497 175.510 -0.661 0.000 1.031 238 N CA -1.411 51.353 53.050 -0.476 0.000 0.951 238 N CB 0.963 39.315 38.487 -0.225 0.000 1.101 238 N HN -0.040 nan 8.380 nan 0.000 0.488 239 P HA 0.064 nan 4.420 nan 0.000 0.268 239 P C -0.788 175.939 177.300 -0.955 0.000 1.204 239 P CA 0.203 62.574 63.100 -1.215 0.000 0.768 239 P CB 0.813 31.177 31.700 -2.228 0.000 0.842 240 R N 1.886 122.071 120.500 -0.524 0.000 2.686 240 R HA 0.529 4.872 4.340 0.005 0.000 0.286 240 R C -0.437 175.754 176.300 -0.181 0.000 0.969 240 R CA -0.973 54.927 56.100 -0.334 0.000 0.898 240 R CB 1.986 32.092 30.300 -0.324 0.000 1.183 240 R HN 0.232 nan 8.270 nan 0.000 0.456 241 K N 2.328 122.624 120.400 -0.174 0.000 2.358 241 K HA 0.373 4.696 4.320 0.005 0.000 0.260 241 K C -1.540 174.835 176.600 -0.375 0.000 0.956 241 K CA -0.311 55.898 56.287 -0.129 0.000 0.834 241 K CB 0.711 33.229 32.500 0.030 0.000 1.102 241 K HN 0.285 nan 8.250 nan 0.000 0.431 242 F N 4.353 123.974 119.950 -0.550 0.000 2.361 242 F HA 0.325 4.855 4.527 0.005 0.000 0.364 242 F C -0.232 175.186 175.800 -0.636 0.000 1.120 242 F CA -0.493 57.118 58.000 -0.648 0.000 1.102 242 F CB 0.556 38.817 39.000 -1.232 0.000 1.183 242 F HN 0.410 nan 8.300 nan 0.000 0.476 243 Y N 3.298 123.517 120.300 -0.134 0.000 2.310 243 Y HA 0.336 4.888 4.550 0.005 0.000 0.326 243 Y C 0.821 176.708 175.900 -0.021 0.000 1.151 243 Y CA -0.214 57.844 58.100 -0.068 0.000 1.195 243 Y CB 1.197 39.630 38.460 -0.045 0.000 1.210 243 Y HN 0.521 nan 8.280 nan 0.000 0.483 244 L N 2.506 123.827 121.223 0.163 0.000 2.766 244 L HA 0.482 4.825 4.340 0.005 0.000 0.242 244 L C 0.245 177.277 176.870 0.271 0.000 1.136 244 L CA 0.092 55.022 54.840 0.150 0.000 0.933 244 L CB 0.284 42.421 42.059 0.131 0.000 1.241 244 L HN 0.650 nan 8.230 nan 0.000 0.522 245 A N -0.880 122.084 122.820 0.240 0.000 2.572 245 A HA 0.759 5.082 4.320 0.005 0.000 0.295 245 A C -0.002 177.656 177.584 0.124 0.000 1.072 245 A CA -0.022 52.126 52.037 0.186 0.000 0.691 245 A CB 1.150 20.225 19.000 0.124 0.000 1.291 245 A HN 0.194 nan 8.150 nan 0.000 0.404 246 G N 0.490 109.328 108.800 0.063 0.000 2.728 246 G HA2 0.126 4.089 3.960 0.005 0.000 0.294 246 G HA3 0.126 4.089 3.960 0.005 0.000 0.294 246 G C -0.472 174.411 174.900 -0.029 0.000 1.342 246 G CA 0.099 45.196 45.100 -0.005 0.000 0.866 246 G HN 2.095 nan 8.290 nan 0.000 0.534 247 N N 1.195 119.847 118.700 -0.080 0.000 2.762 247 N HA 0.551 5.294 4.740 0.005 0.000 0.252 247 N C -2.001 173.416 175.510 -0.156 0.000 1.269 247 N CA -0.922 52.074 53.050 -0.090 0.000 0.799 247 N CB 1.903 40.357 38.487 -0.054 0.000 1.173 247 N HN 0.556 nan 8.380 nan 0.000 0.516 248 P HA 0.169 nan 4.420 nan 0.000 0.278 248 P C -0.790 176.377 177.300 -0.221 0.000 1.266 248 P CA -0.277 62.606 63.100 -0.361 0.000 0.807 248 P CB 1.254 32.471 31.700 -0.805 0.000 1.094 249 E N 1.191 121.273 120.200 -0.196 0.000 2.200 249 E HA 0.104 4.457 4.350 0.005 0.000 0.283 249 E C 0.334 176.868 176.600 -0.110 0.000 1.015 249 E CA -0.680 55.643 56.400 -0.128 0.000 0.819 249 E CB 0.362 29.996 29.700 -0.110 0.000 1.081 249 E HN 0.312 nan 8.360 nan 0.000 0.397 250 N N 2.667 121.327 118.700 -0.067 0.000 2.226 250 N HA -0.147 4.596 4.740 0.005 0.000 0.232 250 N C 0.360 175.847 175.510 -0.038 0.000 1.255 250 N CA 0.890 53.927 53.050 -0.023 0.000 0.855 250 N CB 0.705 39.188 38.487 -0.006 0.000 1.095 250 N HN 0.593 nan 8.380 nan 0.000 0.444 251 E N 0.403 120.590 120.200 -0.023 0.000 2.207 251 E HA 0.121 4.474 4.350 0.005 0.000 0.197 251 E C -0.125 176.358 176.600 -0.194 0.000 0.914 251 E CA 0.079 56.331 56.400 -0.247 0.000 0.914 251 E CB 0.234 29.567 29.700 -0.611 0.000 0.893 251 E HN 0.551 nan 8.360 nan 0.000 0.479 252 F N -1.072 118.929 119.950 0.084 0.000 2.517 252 F HA -0.242 4.288 4.527 0.005 0.000 0.434 252 F C 0.910 176.777 175.800 0.111 0.000 0.564 252 F CA 1.045 59.113 58.000 0.114 0.000 1.414 252 F CB -1.892 37.053 39.000 -0.093 0.000 2.009 252 F HN 0.093 nan 8.300 nan 0.000 0.274 253 N N 0.607 119.429 118.700 0.204 0.000 2.203 253 N HA 0.211 4.954 4.740 0.005 0.000 0.207 253 N C 0.469 176.014 175.510 0.057 0.000 1.130 253 N CA 0.740 53.854 53.050 0.107 0.000 0.861 253 N CB 0.322 38.831 38.487 0.037 0.000 1.005 253 N HN 0.492 nan 8.380 nan 0.000 0.507 288 G N 0.190 108.985 108.800 -0.008 0.000 2.911 288 G HA2 -0.038 3.925 3.960 0.005 0.000 0.686 288 G HA3 -0.038 3.925 3.960 0.005 0.000 0.686 288 G C 0.141 175.032 174.900 -0.015 0.000 1.136 288 G CA -0.002 45.094 45.100 -0.006 0.000 0.764 288 G HN 0.951 nan 8.290 nan 0.000 0.626 289 N N -0.139 118.549 118.700 -0.021 0.000 2.220 289 N HA 0.085 4.828 4.740 0.005 0.000 0.195 289 N C 1.004 176.504 175.510 -0.017 0.000 1.123 289 N CA 0.161 53.192 53.050 -0.032 0.000 0.874 289 N CB 0.270 38.725 38.487 -0.054 0.000 0.995 289 N HN 0.803 nan 8.380 nan 0.000 0.498 290 N N -0.202 118.507 118.700 0.016 0.000 2.405 290 N HA 0.014 4.757 4.740 0.005 0.000 0.269 290 N C 1.161 176.664 175.510 -0.011 0.000 1.249 290 N CA -0.658 52.424 53.050 0.053 0.000 0.974 290 N CB 0.347 38.909 38.487 0.125 0.000 1.204 290 N HN -0.140 nan 8.380 nan 0.000 0.565 291 V N -0.879 119.005 119.914 -0.050 0.000 2.515 291 V HA -0.053 4.070 4.120 0.005 0.000 0.250 291 V C 1.578 177.410 176.094 -0.437 0.000 1.058 291 V CA 1.272 63.443 62.300 -0.216 0.000 1.064 291 V CB -1.206 30.538 31.823 -0.132 0.000 0.675 291 V HN 0.597 nan 8.190 nan 0.000 0.461 292 F N 1.999 121.876 119.950 -0.122 0.000 2.134 292 F HA -0.156 4.374 4.527 0.005 0.000 0.299 292 F C 2.929 178.674 175.800 -0.092 0.000 1.097 292 F CA 1.959 59.945 58.000 -0.023 0.000 1.264 292 F CB -0.411 38.658 39.000 0.116 0.000 1.001 292 F HN 0.421 nan 8.300 nan 0.000 0.479 293 S N -0.168 115.595 115.700 0.105 0.000 2.469 293 S HA -0.089 4.384 4.470 0.005 0.000 0.238 293 S C 1.990 176.578 174.600 -0.020 0.000 0.998 293 S CA 1.127 59.359 58.200 0.054 0.000 0.957 293 S CB -0.773 62.448 63.200 0.036 0.000 0.764 293 S HN 0.331 nan 8.310 nan 0.000 0.514 294 G N -0.343 108.356 108.800 -0.168 0.000 2.939 294 G HA2 0.283 4.246 3.960 0.005 0.000 0.210 294 G HA3 0.283 4.246 3.960 0.005 0.000 0.210 294 G C -0.002 174.855 174.900 -0.072 0.000 1.160 294 G CA -0.432 44.573 45.100 -0.158 0.000 0.770 294 G HN 0.426 nan 8.290 nan 0.000 0.543 295 F N 1.121 121.134 119.950 0.106 0.000 2.399 295 F HA 0.281 4.811 4.527 0.005 0.000 0.342 295 F C 0.811 176.658 175.800 0.079 0.000 1.106 295 F CA -2.278 55.782 58.000 0.100 0.000 1.196 295 F CB 0.387 39.475 39.000 0.146 0.000 1.163 295 F HN -0.068 nan 8.300 nan 0.000 0.547 296 N N 1.697 120.559 118.700 0.270 0.000 2.365 296 N HA -0.107 4.636 4.740 0.005 0.000 0.265 296 N C 0.847 176.442 175.510 0.141 0.000 1.288 296 N CA 0.437 53.579 53.050 0.154 0.000 0.869 296 N CB 0.779 39.329 38.487 0.106 0.000 1.071 296 N HN 0.666 nan 8.380 nan 0.000 0.480 297 T N 3.559 118.177 114.554 0.106 0.000 2.849 297 T HA -0.159 4.194 4.350 0.005 0.000 0.270 297 T C 1.470 176.201 174.700 0.052 0.000 1.066 297 T CA 1.331 63.480 62.100 0.081 0.000 1.130 297 T CB 0.113 69.014 68.868 0.055 0.000 0.864 297 T HN 0.546 nan 8.240 nan 0.000 0.481 298 Q N 0.580 120.406 119.800 0.043 0.000 2.033 298 Q HA 0.230 4.573 4.340 0.005 0.000 0.196 298 Q C 2.287 178.298 176.000 0.018 0.000 0.970 298 Q CA 0.700 56.517 55.803 0.024 0.000 0.828 298 Q CB -0.748 28.003 28.738 0.021 0.000 0.895 298 Q HN 0.349 nan 8.270 nan 0.000 0.440 299 L N 0.122 121.358 121.223 0.023 0.000 1.997 299 L HA -0.253 4.090 4.340 0.005 0.000 0.216 299 L C 2.137 179.000 176.870 -0.011 0.000 1.074 299 L CA 1.377 56.219 54.840 0.004 0.000 0.763 299 L CB -0.369 41.694 42.059 0.006 0.000 0.890 299 L HN 0.339 nan 8.230 nan 0.000 0.434 300 L N -0.173 121.062 121.223 0.019 0.000 2.046 300 L HA -0.165 4.178 4.340 0.005 0.000 0.208 300 L C 2.563 179.433 176.870 0.000 0.000 1.077 300 L CA 2.115 56.969 54.840 0.024 0.000 0.747 300 L CB -0.724 41.417 42.059 0.136 0.000 0.896 300 L HN 0.228 nan 8.230 nan 0.000 0.432 301 A N -1.365 121.455 122.820 0.000 0.000 1.898 301 A HA -0.228 4.095 4.320 0.005 0.000 0.216 301 A C 2.263 179.838 177.584 -0.015 0.000 1.181 301 A CA 1.663 53.691 52.037 -0.015 0.000 0.620 301 A CB -0.615 18.379 19.000 -0.010 0.000 0.819 301 A HN 0.625 nan 8.150 nan 0.000 0.442 302 Q N -0.726 119.068 119.800 -0.011 0.000 2.002 302 Q HA -0.208 4.135 4.340 0.005 0.000 0.204 302 Q C 2.506 178.495 176.000 -0.018 0.000 0.988 302 Q CA 1.658 57.453 55.803 -0.013 0.000 0.843 302 Q CB -0.412 28.319 28.738 -0.011 0.000 0.908 302 Q HN 0.650 nan 8.270 nan 0.000 0.420 303 A N 0.791 123.596 122.820 -0.025 0.000 1.903 303 A HA -0.210 4.113 4.320 0.005 0.000 0.219 303 A C 1.890 179.464 177.584 -0.017 0.000 1.191 303 A CA 1.427 53.446 52.037 -0.030 0.000 0.638 303 A CB -0.629 18.338 19.000 -0.055 0.000 0.823 303 A HN 0.339 nan 8.150 nan 0.000 0.451 304 L N -0.744 120.470 121.223 -0.015 0.000 2.478 304 L HA 0.033 4.376 4.340 0.005 0.000 0.223 304 L C 0.735 177.596 176.870 -0.015 0.000 1.140 304 L CA 1.003 55.835 54.840 -0.013 0.000 0.842 304 L CB -1.520 40.519 42.059 -0.033 0.000 0.953 304 L HN 0.643 nan 8.230 nan 0.000 0.452 305 N N -0.102 118.588 118.700 -0.015 0.000 2.746 305 N HA -0.195 4.548 4.740 0.005 0.000 0.250 305 N C -0.658 174.842 175.510 -0.015 0.000 1.055 305 N CA 0.652 53.694 53.050 -0.013 0.000 0.699 305 N CB -0.786 37.696 38.487 -0.009 0.000 0.919 305 N HN 0.140 nan 8.380 nan 0.000 0.548 306 V N 1.061 120.962 119.914 -0.020 0.000 3.188 306 V HA 0.534 4.657 4.120 0.005 0.000 0.305 306 V C -0.564 175.516 176.094 -0.023 0.000 1.232 306 V CA -0.640 61.645 62.300 -0.024 0.000 1.043 306 V CB 2.043 33.844 31.823 -0.036 0.000 1.068 306 V HN 0.563 nan 8.190 nan 0.000 0.439 307 N N 1.506 120.193 118.700 -0.022 0.000 2.424 307 N HA 0.212 4.955 4.740 0.005 0.000 0.257 307 N C 0.475 175.972 175.510 -0.021 0.000 1.250 307 N CA -0.008 53.031 53.050 -0.018 0.000 0.946 307 N CB 0.397 38.875 38.487 -0.015 0.000 1.175 307 N HN 0.675 nan 8.380 nan 0.000 0.477 308 E N -0.818 119.373 120.200 -0.015 0.000 2.153 308 E HA -0.279 4.074 4.350 0.005 0.000 0.194 308 E C 1.266 177.856 176.600 -0.017 0.000 0.988 308 E CA 1.443 57.836 56.400 -0.012 0.000 0.811 308 E CB -0.054 29.644 29.700 -0.004 0.000 0.746 308 E HN 0.883 nan 8.360 nan 0.000 0.466 309 E N 0.246 120.435 120.200 -0.018 0.000 2.150 309 E HA -0.141 4.212 4.350 0.005 0.000 0.193 309 E C 1.715 178.297 176.600 -0.030 0.000 0.985 309 E CA 1.761 58.149 56.400 -0.020 0.000 0.814 309 E CB -0.168 29.522 29.700 -0.017 0.000 0.752 309 E HN -0.005 nan 8.360 nan 0.000 0.466 310 T N 0.483 115.014 114.554 -0.037 0.000 2.701 310 T HA -0.031 4.322 4.350 0.005 0.000 0.263 310 T C 1.997 176.649 174.700 -0.079 0.000 1.040 310 T CA 1.428 63.495 62.100 -0.055 0.000 1.147 310 T CB -0.490 68.345 68.868 -0.054 0.000 0.865 310 T HN 0.402 nan 8.240 nan 0.000 0.426 311 A N 1.171 123.948 122.820 -0.072 0.000 2.070 311 A HA -0.027 4.296 4.320 0.005 0.000 0.220 311 A C 2.281 179.825 177.584 -0.067 0.000 1.159 311 A CA 1.400 53.381 52.037 -0.093 0.000 0.656 311 A CB -0.486 18.482 19.000 -0.053 0.000 0.800 311 A HN 0.336 nan 8.150 nan 0.000 0.453 312 R N -0.285 120.193 120.500 -0.038 0.000 2.153 312 R HA 0.035 4.378 4.340 0.005 0.000 0.218 312 R C 1.660 177.944 176.300 -0.027 0.000 1.072 312 R CA 0.896 56.986 56.100 -0.017 0.000 0.990 312 R CB -0.135 30.159 30.300 -0.009 0.000 0.889 312 R HN 0.494 nan 8.270 nan 0.000 0.452 313 N N 0.213 118.885 118.700 -0.046 0.000 2.381 313 N HA -0.100 4.643 4.740 0.005 0.000 0.182 313 N C 1.438 176.913 175.510 -0.057 0.000 1.025 313 N CA 0.840 53.863 53.050 -0.046 0.000 0.888 313 N CB 0.170 38.627 38.487 -0.051 0.000 0.965 313 N HN 0.265 nan 8.380 nan 0.000 0.438 314 L N 1.015 122.174 121.223 -0.107 0.000 2.068 314 L HA -0.103 4.240 4.340 0.005 0.000 0.204 314 L C 2.135 179.008 176.870 0.005 0.000 1.076 314 L CA 0.926 55.668 54.840 -0.163 0.000 0.753 314 L CB -0.323 41.419 42.059 -0.529 0.000 0.910 314 L HN 0.068 nan 8.230 nan 0.000 0.439 315 Q N 0.251 120.067 119.800 0.027 0.000 2.439 315 Q HA -0.045 4.298 4.340 0.005 0.000 0.211 315 Q C 1.214 177.245 176.000 0.052 0.000 0.978 315 Q CA 0.642 56.496 55.803 0.085 0.000 0.897 315 Q CB -0.187 28.595 28.738 0.073 0.000 0.956 315 Q HN 0.612 nan 8.270 nan 0.000 0.483 316 G N 2.029 110.845 108.800 0.025 0.000 2.356 316 G HA2 -0.328 3.635 3.960 0.005 0.000 0.296 316 G HA3 -0.328 3.635 3.960 0.005 0.000 0.296 316 G C 0.636 175.537 174.900 0.001 0.000 1.022 316 G CA 0.816 45.922 45.100 0.011 0.000 0.961 316 G HN 0.585 nan 8.290 nan 0.000 0.510 317 Q N -0.757 119.044 119.800 0.001 0.000 2.245 317 Q HA -0.007 4.336 4.340 0.005 0.000 0.201 317 Q C 1.202 177.196 176.000 -0.010 0.000 0.955 317 Q CA 1.018 56.819 55.803 -0.004 0.000 0.870 317 Q CB -0.043 28.695 28.738 0.001 0.000 0.945 317 Q HN 0.507 nan 8.270 nan 0.000 0.461 318 N N 1.442 120.136 118.700 -0.011 0.000 2.327 318 N HA 0.072 4.815 4.740 0.005 0.000 0.231 318 N C -0.825 174.675 175.510 -0.017 0.000 1.130 318 N CA 0.142 53.184 53.050 -0.014 0.000 0.845 318 N CB 0.371 38.851 38.487 -0.012 0.000 1.073 318 N HN 0.213 nan 8.380 nan 0.000 0.496 319 D N 0.507 120.895 120.400 -0.019 0.000 2.198 319 D HA 0.195 4.838 4.640 0.005 0.000 0.245 319 D C -0.085 176.196 176.300 -0.032 0.000 1.079 319 D CA -0.191 53.795 54.000 -0.024 0.000 0.854 319 D CB 1.035 41.820 40.800 -0.024 0.000 1.148 319 D HN -0.128 nan 8.370 nan 0.000 0.456 320 N N 1.785 120.467 118.700 -0.031 0.000 2.197 320 N HA 0.133 4.876 4.740 0.005 0.000 0.228 320 N C 0.640 176.125 175.510 -0.041 0.000 1.212 320 N CA -0.006 53.022 53.050 -0.036 0.000 0.883 320 N CB 0.491 38.961 38.487 -0.029 0.000 1.107 320 N HN 0.293 nan 8.380 nan 0.000 0.519 321 R N -0.093 120.382 120.500 -0.041 0.000 2.317 321 R HA 0.217 4.560 4.340 0.005 0.000 0.208 321 R C 0.037 176.304 176.300 -0.056 0.000 0.914 321 R CA -0.225 55.852 56.100 -0.039 0.000 1.060 321 R CB -0.010 30.275 30.300 -0.025 0.000 1.015 321 R HN 0.060 nan 8.270 nan 0.000 0.498 322 N N 0.978 119.630 118.700 -0.080 0.000 1.673 322 N HA -0.243 4.500 4.740 0.005 0.000 0.120 322 N C 0.605 176.032 175.510 -0.137 0.000 0.843 322 N CA 1.699 54.675 53.050 -0.124 0.000 0.859 322 N CB -0.640 37.776 38.487 -0.119 0.000 0.883 322 N HN 0.284 nan 8.380 nan 0.000 0.676 323 Q N 0.545 120.238 119.800 -0.178 0.000 2.360 323 Q HA 0.268 4.611 4.340 0.005 0.000 0.202 323 Q C 0.203 176.245 176.000 0.071 0.000 0.915 323 Q CA 0.907 56.613 55.803 -0.161 0.000 0.943 323 Q CB 0.464 28.981 28.738 -0.368 0.000 1.064 323 Q HN 0.670 nan 8.270 nan 0.000 0.511 324 I N 2.383 122.959 120.570 0.010 0.000 2.448 324 I HA 0.338 4.511 4.170 0.005 0.000 0.281 324 I C -0.585 175.552 176.117 0.033 0.000 1.027 324 I CA -1.333 59.999 61.300 0.053 0.000 1.111 324 I CB 1.365 39.355 38.000 -0.016 0.000 1.236 324 I HN 0.025 nan 8.210 nan 0.000 0.452 325 I N 2.930 123.536 120.570 0.061 0.000 2.676 325 I HA 0.600 4.773 4.170 0.005 0.000 0.309 325 I C -0.114 176.042 176.117 0.065 0.000 0.990 325 I CA -0.596 60.730 61.300 0.043 0.000 1.168 325 I CB 1.135 39.152 38.000 0.028 0.000 1.343 325 I HN 0.489 nan 8.210 nan 0.000 0.482 326 Q N 3.466 123.295 119.800 0.048 0.000 2.267 326 Q HA 0.555 4.898 4.340 0.005 0.000 0.255 326 Q C -1.441 174.605 176.000 0.076 0.000 0.923 326 Q CA -0.376 55.463 55.803 0.061 0.000 0.925 326 Q CB 1.410 30.169 28.738 0.036 0.000 1.195 326 Q HN 0.689 nan 8.270 nan 0.000 0.417 327 V N 4.891 124.880 119.914 0.125 0.000 2.481 327 V HA 0.461 4.584 4.120 0.005 0.000 0.286 327 V C -0.068 176.081 176.094 0.092 0.000 1.042 327 V CA -0.775 61.595 62.300 0.116 0.000 0.928 327 V CB 1.453 33.395 31.823 0.198 0.000 0.986 327 V HN 0.691 nan 8.190 nan 0.000 0.462 328 R N 2.878 123.410 120.500 0.054 0.000 2.308 328 R HA 0.591 4.934 4.340 0.005 0.000 0.305 328 R C 0.752 177.080 176.300 0.047 0.000 1.053 328 R CA 0.883 57.009 56.100 0.044 0.000 0.957 328 R CB 0.487 30.801 30.300 0.025 0.000 1.022 328 R HN 1.078 nan 8.270 nan 0.000 0.461 329 G N 3.503 112.334 108.800 0.051 0.000 2.574 329 G HA2 -0.376 3.587 3.960 0.005 0.000 0.295 329 G HA3 -0.376 3.587 3.960 0.005 0.000 0.295 329 G C -0.409 174.545 174.900 0.090 0.000 1.300 329 G CA 0.023 45.158 45.100 0.057 0.000 0.944 329 G HN 0.667 nan 8.290 nan 0.000 0.551 330 N N -0.430 118.320 118.700 0.082 0.000 2.525 330 N HA 0.451 5.194 4.740 0.005 0.000 0.271 330 N C 0.111 175.663 175.510 0.069 0.000 1.194 330 N CA -0.499 52.620 53.050 0.115 0.000 0.964 330 N CB 1.283 39.822 38.487 0.086 0.000 1.126 330 N HN 0.641 nan 8.380 nan 0.000 0.452 331 L N 1.831 123.086 121.223 0.053 0.000 2.281 331 L HA 0.256 4.599 4.340 0.005 0.000 0.285 331 L C -0.724 176.151 176.870 0.007 0.000 1.074 331 L CA -0.140 54.654 54.840 -0.078 0.000 0.817 331 L CB 0.326 42.098 42.059 -0.479 0.000 1.168 331 L HN 0.368 nan 8.230 nan 0.000 0.434 332 D N 6.168 126.566 120.400 -0.003 0.000 2.280 332 D HA 0.444 5.087 4.640 0.005 0.000 0.236 332 D C -0.688 175.649 176.300 0.063 0.000 1.082 332 D CA 0.290 54.246 54.000 -0.075 0.000 0.834 332 D CB 1.122 41.893 40.800 -0.048 0.000 1.100 332 D HN 0.302 nan 8.370 nan 0.000 0.486 333 F N -1.308 118.674 119.950 0.053 0.000 2.675 333 F HA 0.558 5.088 4.527 0.005 0.000 0.324 333 F C -0.454 175.520 175.800 0.289 0.000 1.106 333 F CA -1.557 56.539 58.000 0.161 0.000 0.970 333 F CB 0.386 39.400 39.000 0.023 0.000 1.385 333 F HN -0.082 nan 8.300 nan 0.000 0.489 334 V N 1.848 122.158 119.914 0.661 0.000 2.403 334 V HA 0.239 4.362 4.120 0.005 0.000 0.265 334 V C -0.319 176.028 176.094 0.423 0.000 1.034 334 V CA 0.075 62.578 62.300 0.337 0.000 1.036 334 V CB 0.008 31.936 31.823 0.175 0.000 1.032 334 V HN 0.789 nan 8.190 nan 0.000 0.478 335 Q N 6.292 126.166 119.800 0.124 0.000 2.304 335 Q HA 0.499 4.841 4.340 0.005 0.000 0.270 335 Q C -2.707 173.319 176.000 0.043 0.000 1.035 335 Q CA -1.823 54.087 55.803 0.178 0.000 0.781 335 Q CB 2.576 31.270 28.738 -0.073 0.000 1.261 335 Q HN 0.543 nan 8.270 nan 0.000 0.444 336 P HA 0.129 nan 4.420 nan 0.000 0.268 336 P C -2.396 174.918 177.300 0.024 0.000 1.204 336 P CA -0.654 62.433 63.100 -0.022 0.000 0.768 336 P CB -0.070 31.620 31.700 -0.017 0.000 0.842 337 P HA -0.008 nan 4.420 nan 0.000 0.269 337 P C 1.000 178.316 177.300 0.028 0.000 1.211 337 P CA -0.076 63.028 63.100 0.007 0.000 0.781 337 P CB 1.043 32.739 31.700 -0.007 0.000 0.877 338 R N 0.723 121.242 120.500 0.031 0.000 2.096 338 R HA -0.041 4.302 4.340 0.005 0.000 0.229 338 R C 0.670 176.994 176.300 0.039 0.000 1.134 338 R CA 1.934 58.059 56.100 0.042 0.000 0.917 338 R CB -0.725 29.599 30.300 0.040 0.000 0.832 338 R HN 0.819 nan 8.270 nan 0.000 0.430 339 G N -0.474 108.344 108.800 0.030 0.000 1.882 339 G HA2 0.230 4.193 3.960 0.005 0.000 0.256 339 G HA3 0.230 4.193 3.960 0.005 0.000 0.256 339 G C -0.919 173.991 174.900 0.016 0.000 2.065 339 G CA -0.417 44.696 45.100 0.022 0.000 0.882 339 G HN 0.408 nan 8.290 nan 0.000 0.574 340 R N 0.355 120.865 120.500 0.017 0.000 2.437 340 R HA 0.561 4.904 4.340 0.005 0.000 0.201 340 R C 0.807 177.119 176.300 0.021 0.000 0.911 340 R CA 0.876 56.989 56.100 0.021 0.000 1.040 340 R CB -0.867 29.444 30.300 0.018 0.000 1.264 340 R HN 2.031 nan 8.270 nan 0.000 0.696 341 Q N 0.168 119.981 119.800 0.022 0.000 2.277 341 Q HA -0.443 3.900 4.340 0.005 0.000 0.185 341 Q C 1.505 177.526 176.000 0.035 0.000 2.894 341 Q CA 2.805 58.621 55.803 0.023 0.000 0.247 341 Q CB -1.902 26.845 28.738 0.014 0.000 0.351 341 Q HN 0.603 nan 8.270 nan 0.000 0.392 342 E N 0.249 120.472 120.200 0.039 0.000 2.166 342 E HA 0.165 4.518 4.350 0.005 0.000 0.192 342 E C 1.956 178.597 176.600 0.068 0.000 0.967 342 E CA 0.983 57.418 56.400 0.057 0.000 0.840 342 E CB -0.166 29.564 29.700 0.050 0.000 0.795 342 E HN 0.653 nan 8.360 nan 0.000 0.470 343 R N 0.611 121.140 120.500 0.049 0.000 2.196 343 R HA -0.276 4.067 4.340 0.005 0.000 0.259 343 R C 1.806 178.129 176.300 0.039 0.000 1.154 343 R CA 2.323 58.447 56.100 0.039 0.000 0.976 343 R CB -0.175 30.142 30.300 0.030 0.000 0.888 343 R HN 0.368 nan 8.270 nan 0.000 0.453 344 E N -1.880 118.350 120.200 0.050 0.000 2.112 344 E HA -0.201 4.152 4.350 0.005 0.000 0.190 344 E C 1.913 178.550 176.600 0.063 0.000 0.979 344 E CA 1.112 57.540 56.400 0.047 0.000 0.814 344 E CB -0.264 29.464 29.700 0.048 0.000 0.762 344 E HN 0.533 nan 8.360 nan 0.000 0.460 345 H N 1.379 120.453 119.070 0.005 0.000 2.389 345 H HA -0.073 4.486 4.556 0.005 0.000 0.299 345 H C 1.769 177.100 175.328 0.005 0.000 1.081 345 H CA 1.546 57.596 56.048 0.004 0.000 1.345 345 H CB 0.199 29.963 29.762 0.003 0.000 1.393 345 H HN -0.018 nan 8.280 nan 0.000 0.520 346 E N -0.032 120.155 120.200 -0.021 0.000 2.204 346 E HA -0.113 4.239 4.350 0.005 0.000 0.195 346 E C 1.984 178.533 176.600 -0.085 0.000 0.990 346 E CA 1.010 57.368 56.400 -0.071 0.000 0.821 346 E CB 0.091 29.792 29.700 0.001 0.000 0.750 346 E HN 0.527 nan 8.360 nan 0.000 0.477 347 E N -0.105 120.060 120.200 -0.058 0.000 2.016 347 E HA -0.076 4.277 4.350 0.005 0.000 0.190 347 E C 1.930 178.483 176.600 -0.077 0.000 0.985 347 E CA 0.949 57.321 56.400 -0.047 0.000 0.802 347 E CB -0.110 29.579 29.700 -0.018 0.000 0.762 347 E HN 0.055 nan 8.360 nan 0.000 0.448 348 R N 0.554 120.997 120.500 -0.095 0.000 2.185 348 R HA -0.249 4.093 4.340 0.005 0.000 0.247 348 R C 2.115 178.325 176.300 -0.151 0.000 1.159 348 R CA 1.702 57.741 56.100 -0.102 0.000 0.988 348 R CB -0.072 30.184 30.300 -0.074 0.000 0.871 348 R HN 0.267 nan 8.270 nan 0.000 0.458 349 Q N -0.746 118.909 119.800 -0.242 0.000 2.119 349 Q HA -0.136 4.207 4.340 0.005 0.000 0.201 349 Q C 1.859 177.807 176.000 -0.088 0.000 0.972 349 Q CA 1.118 56.805 55.803 -0.195 0.000 0.847 349 Q CB 0.245 28.838 28.738 -0.242 0.000 0.903 349 Q HN 0.329 nan 8.270 nan 0.000 0.433 350 Q N 0.039 119.798 119.800 -0.068 0.000 2.269 350 Q HA -0.106 4.237 4.340 0.005 0.000 0.201 350 Q C 1.508 177.502 176.000 -0.011 0.000 0.946 350 Q CA 0.841 56.627 55.803 -0.027 0.000 0.877 350 Q CB 0.071 28.795 28.738 -0.022 0.000 0.963 350 Q HN 0.561 nan 8.270 nan 0.000 0.472 351 E N -0.122 120.066 120.200 -0.020 0.000 2.478 351 E HA -0.162 4.191 4.350 0.005 0.000 0.198 351 E C 1.437 178.033 176.600 -0.005 0.000 1.046 351 E CA 0.605 57.000 56.400 -0.008 0.000 0.870 351 E CB 0.206 29.899 29.700 -0.012 0.000 0.818 351 E HN 0.343 nan 8.360 nan 0.000 0.527 352 Q N -0.251 119.542 119.800 -0.012 0.000 2.274 352 Q HA 0.036 4.379 4.340 0.005 0.000 0.198 352 Q C 2.045 178.060 176.000 0.025 0.000 0.955 352 Q CA 0.023 55.821 55.803 -0.008 0.000 0.859 352 Q CB 0.139 28.858 28.738 -0.031 0.000 0.956 352 Q HN 0.245 nan 8.270 nan 0.000 0.516 353 L N 1.314 122.559 121.223 0.038 0.000 2.127 353 L HA -0.174 4.169 4.340 0.005 0.000 0.211 353 L C 2.022 178.965 176.870 0.122 0.000 1.089 353 L CA 1.819 56.716 54.840 0.094 0.000 0.757 353 L CB -0.385 41.716 42.059 0.069 0.000 0.899 353 L HN 0.307 nan 8.230 nan 0.000 0.434 354 Q N -0.817 119.028 119.800 0.075 0.000 2.408 354 Q HA -0.107 4.236 4.340 0.005 0.000 0.205 354 Q C 1.802 177.841 176.000 0.065 0.000 0.919 354 Q CA 0.647 56.495 55.803 0.074 0.000 0.932 354 Q CB 0.450 29.216 28.738 0.047 0.000 1.058 354 Q HN 0.840 nan 8.270 nan 0.000 0.517 355 Q N -0.255 119.572 119.800 0.046 0.000 2.123 355 Q HA -0.119 4.224 4.340 0.005 0.000 0.196 355 Q C 1.438 177.440 176.000 0.004 0.000 0.958 355 Q CA 1.354 57.169 55.803 0.019 0.000 0.841 355 Q CB -0.280 28.456 28.738 -0.003 0.000 0.915 355 Q HN 0.352 nan 8.270 nan 0.000 0.455 356 E N 0.935 121.137 120.200 0.003 0.000 2.208 356 E HA -0.087 4.266 4.350 0.005 0.000 0.193 356 E C 2.006 178.614 176.600 0.013 0.000 0.988 356 E CA 0.417 56.754 56.400 -0.104 0.000 0.828 356 E CB -0.107 29.479 29.700 -0.189 0.000 0.763 356 E HN 0.275 nan 8.360 nan 0.000 0.478 357 R N 0.548 121.196 120.500 0.246 0.000 2.096 357 R HA -0.091 4.252 4.340 0.005 0.000 0.235 357 R C 2.224 178.630 176.300 0.176 0.000 1.127 357 R CA 1.664 57.965 56.100 0.336 0.000 0.968 357 R CB -0.042 30.410 30.300 0.253 0.000 0.861 357 R HN 0.285 nan 8.270 nan 0.000 0.440 358 Q N 0.403 120.259 119.800 0.093 0.000 1.714 358 Q HA -0.010 4.333 4.340 0.005 0.000 0.383 358 Q C 0.533 176.539 176.000 0.010 0.000 0.936 358 Q CA 0.971 56.805 55.803 0.052 0.000 0.888 358 Q CB -0.186 28.574 28.738 0.036 0.000 0.973 358 Q HN 0.207 nan 8.270 nan 0.000 0.420 369 L N 2.569 123.834 121.223 0.070 0.000 2.189 369 L HA -0.018 4.324 4.340 0.005 0.000 0.214 369 L C 2.985 179.898 176.870 0.071 0.000 1.097 369 L CA 2.487 57.395 54.840 0.112 0.000 0.764 369 L CB -0.989 41.131 42.059 0.102 0.000 0.900 369 L HN 0.775 nan 8.230 nan 0.000 0.436 370 E N 0.342 120.571 120.200 0.048 0.000 2.153 370 E HA -0.252 4.101 4.350 0.005 0.000 0.194 370 E C 1.411 178.023 176.600 0.020 0.000 0.988 370 E CA 1.612 58.036 56.400 0.039 0.000 0.811 370 E CB -0.373 29.356 29.700 0.048 0.000 0.746 370 E HN 0.652 nan 8.360 nan 0.000 0.466 371 E N 0.725 120.929 120.200 0.008 0.000 2.385 371 E HA 0.003 4.356 4.350 0.005 0.000 0.194 371 E C 1.596 178.158 176.600 -0.063 0.000 1.013 371 E CA 1.210 57.600 56.400 -0.017 0.000 0.866 371 E CB 0.238 29.929 29.700 -0.016 0.000 0.832 371 E HN 0.552 nan 8.360 nan 0.000 0.500 372 T N -1.789 112.714 114.554 -0.084 0.000 2.709 372 T HA 0.078 4.431 4.350 0.005 0.000 0.174 372 T C 1.476 176.019 174.700 -0.262 0.000 0.774 372 T CA -0.364 61.606 62.100 -0.217 0.000 1.309 372 T CB -0.862 67.824 68.868 -0.303 0.000 2.586 372 T HN -0.042 nan 8.240 nan 0.000 0.401 373 F N 1.615 121.486 119.950 -0.132 0.000 2.115 373 F HA -0.091 4.439 4.527 0.005 0.000 0.300 373 F C 2.883 178.511 175.800 -0.287 0.000 1.092 373 F CA 1.188 59.070 58.000 -0.197 0.000 1.245 373 F CB -0.997 37.898 39.000 -0.174 0.000 0.995 373 F HN 0.362 nan 8.300 nan 0.000 0.481 374 c N -1.039 117.541 118.600 -0.033 0.000 2.500 374 c HA 0.020 4.593 4.570 0.005 0.000 0.273 374 c C 2.042 176.021 174.090 -0.185 0.000 1.428 374 c CA 0.688 56.938 56.329 -0.132 0.000 1.766 374 c CB -1.330 41.178 42.510 -0.003 0.000 1.817 374 c HN 0.290 nan 8.230 nan 0.000 0.543 375 S N 0.859 116.464 115.700 -0.157 0.000 2.601 375 S HA 0.241 4.714 4.470 0.005 0.000 0.244 375 S C 0.417 174.928 174.600 -0.149 0.000 1.001 375 S CA -0.397 57.734 58.200 -0.114 0.000 0.984 375 S CB -0.280 62.882 63.200 -0.063 0.000 0.842 375 S HN 0.672 nan 8.310 nan 0.000 0.474 376 L N 0.557 121.633 121.223 -0.244 0.000 2.483 376 L HA 0.396 4.739 4.340 0.005 0.000 0.275 376 L C 0.236 177.037 176.870 -0.115 0.000 1.220 376 L CA -0.612 54.109 54.840 -0.198 0.000 0.833 376 L CB 0.371 42.279 42.059 -0.251 0.000 1.102 376 L HN 0.007 nan 8.230 nan 0.000 0.490 377 R N 2.052 122.510 120.500 -0.070 0.000 2.316 377 R HA 0.209 4.552 4.340 0.005 0.000 0.314 377 R C 0.384 176.681 176.300 -0.005 0.000 1.069 377 R CA -0.457 55.626 56.100 -0.028 0.000 0.959 377 R CB 0.715 31.003 30.300 -0.021 0.000 0.987 377 R HN 0.741 nan 8.270 nan 0.000 0.446 378 L N 3.998 125.230 121.223 0.016 0.000 2.513 378 L HA 0.179 4.522 4.340 0.005 0.000 0.222 378 L C -0.087 176.788 176.870 0.007 0.000 1.096 378 L CA 1.073 55.931 54.840 0.029 0.000 0.857 378 L CB -0.489 41.596 42.059 0.043 0.000 1.026 378 L HN 0.602 nan 8.230 nan 0.000 0.469 379 K N -1.139 119.263 120.400 0.002 0.000 2.477 379 K HA 0.684 5.007 4.320 0.005 0.000 0.255 379 K C -0.884 175.722 176.600 0.011 0.000 0.952 379 K CA -0.737 55.549 56.287 -0.002 0.000 0.826 379 K CB 2.458 34.941 32.500 -0.027 0.000 1.331 379 K HN -0.139 nan 8.250 nan 0.000 0.437 380 E N 1.172 121.384 120.200 0.021 0.000 2.290 380 E HA 0.154 4.507 4.350 0.005 0.000 0.274 380 E C -1.373 175.250 176.600 0.038 0.000 0.889 380 E CA -0.803 55.617 56.400 0.033 0.000 0.760 380 E CB 1.496 31.226 29.700 0.049 0.000 1.206 380 E HN 0.632 nan 8.360 nan 0.000 0.419 381 N N 5.517 124.237 118.700 0.034 0.000 2.399 381 N HA 0.089 4.832 4.740 0.005 0.000 0.259 381 N C 0.180 175.731 175.510 0.069 0.000 1.160 381 N CA 0.211 53.285 53.050 0.040 0.000 0.946 381 N CB 0.676 39.179 38.487 0.028 0.000 1.156 381 N HN 0.709 nan 8.380 nan 0.000 0.489 382 I N 2.670 123.308 120.570 0.113 0.000 3.941 382 I HA 0.174 4.347 4.170 0.005 0.000 0.321 382 I C 1.588 177.782 176.117 0.128 0.000 1.284 382 I CA 0.113 61.489 61.300 0.127 0.000 1.226 382 I CB 0.229 38.336 38.000 0.177 0.000 1.045 382 I HN 0.515 nan 8.210 nan 0.000 0.420 383 G N 1.175 110.071 108.800 0.160 0.000 2.650 383 G HA2 -0.196 3.767 3.960 0.005 0.000 0.214 383 G HA3 -0.196 3.767 3.960 0.005 0.000 0.214 383 G C 0.590 175.544 174.900 0.090 0.000 1.136 383 G CA -0.095 45.094 45.100 0.149 0.000 0.789 383 G HN 0.416 nan 8.290 nan 0.000 0.536 384 N N 0.873 119.610 118.700 0.061 0.000 2.470 384 N HA 0.231 4.974 4.740 0.005 0.000 0.268 384 N C -1.363 174.160 175.510 0.021 0.000 1.136 384 N CA -1.895 51.177 53.050 0.036 0.000 0.961 384 N CB 1.730 40.236 38.487 0.031 0.000 1.067 384 N HN -0.187 nan 8.380 nan 0.000 0.468 385 P HA -0.131 nan 4.420 nan 0.000 0.218 385 P C 0.211 177.451 177.300 -0.100 0.000 1.148 385 P CA 1.419 64.501 63.100 -0.030 0.000 0.822 385 P CB 0.189 31.872 31.700 -0.029 0.000 0.784 386 E N -1.060 119.097 120.200 -0.073 0.000 2.418 386 E HA -0.133 4.220 4.350 0.005 0.000 0.197 386 E C 1.870 178.432 176.600 -0.063 0.000 1.026 386 E CA 0.278 56.627 56.400 -0.085 0.000 0.862 386 E CB -0.289 29.393 29.700 -0.031 0.000 0.799 386 E HN 0.013 nan 8.360 nan 0.000 0.518 387 R N 1.405 121.885 120.500 -0.034 0.000 2.313 387 R HA 0.121 4.464 4.340 0.005 0.000 0.199 387 R C -0.062 176.222 176.300 -0.028 0.000 0.958 387 R CA 0.267 56.358 56.100 -0.016 0.000 1.047 387 R CB -0.385 29.922 30.300 0.012 0.000 0.955 387 R HN 0.020 nan 8.270 nan 0.000 0.481 388 A N 0.743 123.529 122.820 -0.057 0.000 2.540 388 A HA 0.018 4.341 4.320 0.005 0.000 0.239 388 A C 0.169 177.736 177.584 -0.027 0.000 1.061 388 A CA 0.375 52.383 52.037 -0.048 0.000 0.758 388 A CB 0.194 19.154 19.000 -0.066 0.000 0.991 388 A HN 0.466 nan 8.150 nan 0.000 0.502 389 D N 0.942 121.331 120.400 -0.018 0.000 2.301 389 D HA 0.140 4.783 4.640 0.005 0.000 0.206 389 D C -0.081 176.218 176.300 -0.002 0.000 0.979 389 D CA 1.132 55.125 54.000 -0.012 0.000 0.874 389 D CB 0.212 41.003 40.800 -0.016 0.000 0.968 389 D HN 0.507 nan 8.370 nan 0.000 0.510 390 I N 0.210 120.777 120.570 -0.006 0.000 2.498 390 I HA 0.325 4.498 4.170 0.005 0.000 0.290 390 I C -1.174 174.974 176.117 0.052 0.000 1.032 390 I CA -0.869 60.428 61.300 -0.005 0.000 1.073 390 I CB 2.439 40.401 38.000 -0.062 0.000 1.251 390 I HN -0.258 nan 8.210 nan 0.000 0.426 391 F N 5.512 125.391 119.950 -0.118 0.000 2.630 391 F HA 0.624 5.154 4.527 0.005 0.000 0.325 391 F C -1.110 174.635 175.800 -0.091 0.000 1.184 391 F CA -0.141 57.781 58.000 -0.130 0.000 1.011 391 F CB 1.678 40.622 39.000 -0.093 0.000 1.268 391 F HN 0.350 nan 8.300 nan 0.000 0.480 392 S N 7.172 122.437 115.700 -0.725 0.000 2.519 392 S HA 0.448 4.921 4.470 0.005 0.000 0.309 392 S C -2.033 172.040 174.600 -0.879 0.000 1.100 392 S CA -1.636 56.133 58.200 -0.718 0.000 1.059 392 S CB 1.832 64.835 63.200 -0.329 0.000 1.008 392 S HN 0.534 nan 8.310 nan 0.000 0.478 393 P HA -0.029 nan 4.420 nan 0.000 0.216 393 P C 1.022 178.324 177.300 0.003 0.000 1.150 393 P CA 0.827 63.678 63.100 -0.415 0.000 0.837 393 P CB 0.179 31.775 31.700 -0.173 0.000 0.786 394 R N -1.401 119.079 120.500 -0.032 0.000 2.317 394 R HA 0.286 4.629 4.340 0.005 0.000 0.208 394 R C 1.448 177.827 176.300 0.131 0.000 0.914 394 R CA 0.483 56.627 56.100 0.073 0.000 1.060 394 R CB -0.009 30.303 30.300 0.020 0.000 1.015 394 R HN 0.089 nan 8.270 nan 0.000 0.498 395 A N -0.554 122.278 122.820 0.020 0.000 1.993 395 A HA 0.533 4.855 4.320 0.005 0.000 0.202 395 A C 0.736 178.113 177.584 -0.343 0.000 1.461 395 A CA 0.728 52.740 52.037 -0.043 0.000 0.824 395 A CB 0.482 19.439 19.000 -0.072 0.000 1.024 395 A HN 0.412 nan 8.150 nan 0.000 0.507 396 G N -0.818 107.533 108.800 -0.748 0.000 2.350 396 G HA2 0.434 4.397 3.960 0.005 0.000 0.282 396 G HA3 0.434 4.397 3.960 0.005 0.000 0.282 396 G C -1.280 173.163 174.900 -0.761 0.000 1.314 396 G CA -0.350 43.976 45.100 -1.290 0.000 0.915 396 G HN 1.053 nan 8.290 nan 0.000 0.499 397 R N -1.037 119.054 120.500 -0.680 0.000 2.651 397 R HA 0.803 5.146 4.340 0.005 0.000 0.278 397 R C -1.599 174.497 176.300 -0.340 0.000 1.010 397 R CA -0.984 54.941 56.100 -0.292 0.000 0.896 397 R CB 1.795 32.071 30.300 -0.040 0.000 1.211 397 R HN 0.537 nan 8.270 nan 0.000 0.456 398 I N 1.232 121.667 120.570 -0.226 0.000 2.545 398 I HA 0.343 4.516 4.170 0.005 0.000 0.292 398 I C -0.596 175.472 176.117 -0.082 0.000 1.040 398 I CA -0.706 60.497 61.300 -0.162 0.000 1.068 398 I CB 2.625 40.523 38.000 -0.170 0.000 1.251 398 I HN 0.633 nan 8.210 nan 0.000 0.424 399 S N 2.799 118.464 115.700 -0.058 0.000 2.519 399 S HA 0.546 5.019 4.470 0.005 0.000 0.309 399 S C -0.463 174.137 174.600 0.001 0.000 1.100 399 S CA -0.525 57.663 58.200 -0.021 0.000 1.059 399 S CB 1.845 65.042 63.200 -0.006 0.000 1.008 399 S HN 0.545 nan 8.310 nan 0.000 0.478 400 T N 3.157 117.718 114.554 0.013 0.000 2.859 400 T HA 0.604 4.957 4.350 0.005 0.000 0.281 400 T C -1.016 173.708 174.700 0.039 0.000 1.005 400 T CA -0.349 61.766 62.100 0.025 0.000 1.025 400 T CB 0.835 69.717 68.868 0.024 0.000 0.977 400 T HN 0.383 nan 8.240 nan 0.000 0.458 401 L N 5.103 126.353 121.223 0.045 0.000 2.372 401 L HA 0.651 4.994 4.340 0.005 0.000 0.274 401 L C -0.719 176.178 176.870 0.045 0.000 0.988 401 L CA -0.244 54.631 54.840 0.059 0.000 0.833 401 L CB 1.054 43.166 42.059 0.088 0.000 1.236 401 L HN 0.858 nan 8.230 nan 0.000 0.410 402 N N 0.706 119.443 118.700 0.061 0.000 3.439 402 N HA 0.303 5.046 4.740 0.005 0.000 0.313 402 N C 0.045 175.583 175.510 0.048 0.000 1.598 402 N CA -0.182 52.901 53.050 0.054 0.000 0.830 402 N CB 0.504 39.046 38.487 0.092 0.000 1.849 402 N HN 0.192 nan 8.380 nan 0.000 0.598 403 S N -1.855 113.841 115.700 -0.006 0.000 2.561 403 S HA -0.029 4.444 4.470 0.005 0.000 0.225 403 S C 0.260 174.780 174.600 -0.133 0.000 0.977 403 S CA 0.502 58.658 58.200 -0.074 0.000 0.926 403 S CB -0.851 62.290 63.200 -0.097 0.000 0.769 403 S HN 0.581 nan 8.310 nan 0.000 0.533 404 H N 0.849 119.921 119.070 0.004 0.000 2.547 404 H HA 0.327 4.886 4.556 0.005 0.000 0.266 404 H C 1.410 176.738 175.328 -0.001 0.000 0.988 404 H CA 0.881 56.928 56.048 -0.002 0.000 1.147 404 H CB -0.057 29.700 29.762 -0.009 0.000 1.365 404 H HN 0.623 nan 8.280 nan 0.000 0.589 405 N N -0.670 118.092 118.700 0.104 0.000 2.612 405 N HA 0.103 4.846 4.740 0.005 0.000 0.224 405 N C -0.652 174.882 175.510 0.039 0.000 1.051 405 N CA -0.123 52.967 53.050 0.065 0.000 0.889 405 N CB 1.046 39.571 38.487 0.062 0.000 1.449 405 N HN -0.017 nan 8.380 nan 0.000 0.442 406 L N 2.022 123.265 121.223 0.033 0.000 2.342 406 L HA 0.513 4.856 4.340 0.005 0.000 0.276 406 L C -2.378 174.502 176.870 0.016 0.000 0.997 406 L CA -2.202 52.653 54.840 0.025 0.000 0.838 406 L CB 1.617 43.698 42.059 0.037 0.000 1.224 406 L HN -0.108 nan 8.230 nan 0.000 0.416 407 P HA -0.121 nan 4.420 nan 0.000 0.216 407 P C 1.699 179.015 177.300 0.027 0.000 1.150 407 P CA 1.227 64.323 63.100 -0.006 0.000 0.837 407 P CB 0.224 31.906 31.700 -0.030 0.000 0.786 408 I N -0.849 119.747 120.570 0.043 0.000 2.916 408 I HA -0.147 4.026 4.170 0.005 0.000 0.267 408 I C 1.456 177.659 176.117 0.144 0.000 1.263 408 I CA 0.847 62.211 61.300 0.108 0.000 1.471 408 I CB -0.172 37.889 38.000 0.101 0.000 1.089 408 I HN -0.100 nan 8.210 nan 0.000 0.468 409 L N 0.113 121.385 121.223 0.082 0.000 2.376 409 L HA -0.135 4.208 4.340 0.005 0.000 0.219 409 L C 2.530 179.436 176.870 0.059 0.000 1.133 409 L CA 0.564 55.441 54.840 0.061 0.000 0.816 409 L CB -0.625 41.451 42.059 0.028 0.000 0.933 409 L HN 0.250 nan 8.230 nan 0.000 0.449 410 R N 0.223 120.767 120.500 0.073 0.000 2.075 410 R HA -0.212 4.131 4.340 0.005 0.000 0.232 410 R C 2.307 178.699 176.300 0.153 0.000 1.126 410 R CA 1.665 57.809 56.100 0.074 0.000 0.963 410 R CB -0.219 30.117 30.300 0.059 0.000 0.858 410 R HN 0.269 nan 8.270 nan 0.000 0.435 411 F N 0.606 120.588 119.950 0.054 0.000 2.187 411 F HA 0.048 4.578 4.527 0.005 0.000 0.295 411 F C 1.570 177.486 175.800 0.193 0.000 1.091 411 F CA 1.069 59.128 58.000 0.099 0.000 1.308 411 F CB -0.111 38.917 39.000 0.046 0.000 1.030 411 F HN -0.056 nan 8.300 nan 0.000 0.487 412 L N -0.097 121.079 121.223 -0.078 0.000 2.240 412 L HA 0.010 4.353 4.340 0.005 0.000 0.211 412 L C 0.748 177.639 176.870 0.036 0.000 1.106 412 L CA 0.784 55.562 54.840 -0.103 0.000 0.793 412 L CB -0.456 41.606 42.059 0.004 0.000 0.927 412 L HN 0.092 nan 8.230 nan 0.000 0.446 413 R N 0.072 120.584 120.500 0.020 0.000 3.322 413 R HA -0.111 4.232 4.340 0.005 0.000 0.266 413 R C -1.106 175.160 176.300 -0.058 0.000 1.072 413 R CA 0.183 56.283 56.100 -0.000 0.000 0.715 413 R CB -1.840 28.467 30.300 0.013 0.000 1.199 413 R HN 0.250 nan 8.270 nan 0.000 0.421 414 L N -0.882 120.288 121.223 -0.089 0.000 2.350 414 L HA 0.703 5.046 4.340 0.005 0.000 0.260 414 L C 0.214 176.974 176.870 -0.183 0.000 1.015 414 L CA -0.974 53.729 54.840 -0.229 0.000 0.821 414 L CB 2.537 44.464 42.059 -0.220 0.000 1.370 414 L HN 0.022 nan 8.230 nan 0.000 0.416 415 S N -0.212 115.323 115.700 -0.275 0.000 2.704 415 S HA 0.956 5.429 4.470 0.005 0.000 0.296 415 S C -1.017 173.454 174.600 -0.215 0.000 1.138 415 S CA -0.497 57.602 58.200 -0.167 0.000 0.875 415 S CB 2.333 65.457 63.200 -0.128 0.000 1.151 415 S HN 0.779 nan 8.310 nan 0.000 0.500 416 A N 0.600 123.353 122.820 -0.112 0.000 2.602 416 A HA 0.844 5.167 4.320 0.005 0.000 0.290 416 A C -1.529 175.998 177.584 -0.095 0.000 1.114 416 A CA -0.567 51.380 52.037 -0.151 0.000 0.683 416 A CB 1.701 20.739 19.000 0.064 0.000 1.281 416 A HN 0.725 nan 8.150 nan 0.000 0.416 417 E N 0.211 120.306 120.200 -0.175 0.000 2.390 417 E HA 0.620 4.973 4.350 0.005 0.000 0.277 417 E C -1.562 174.969 176.600 -0.114 0.000 0.939 417 E CA -0.781 55.585 56.400 -0.058 0.000 0.769 417 E CB 1.747 31.476 29.700 0.048 0.000 1.251 417 E HN 0.513 nan 8.360 nan 0.000 0.450 418 R N 1.611 122.032 120.500 -0.132 0.000 2.515 418 R HA 0.533 4.876 4.340 0.005 0.000 0.291 418 R C -1.273 174.783 176.300 -0.407 0.000 1.046 418 R CA -0.380 55.533 56.100 -0.312 0.000 0.914 418 R CB 1.592 31.835 30.300 -0.095 0.000 1.191 418 R HN 0.672 nan 8.270 nan 0.000 0.435 419 G N 1.961 110.232 108.800 -0.881 0.000 2.498 419 G HA2 0.647 4.610 3.960 0.005 0.000 0.312 419 G HA3 0.647 4.610 3.960 0.005 0.000 0.312 419 G C -1.880 172.863 174.900 -0.262 0.000 1.230 419 G CA -0.242 44.573 45.100 -0.475 0.000 0.968 419 G HN 0.301 nan 8.290 nan 0.000 0.481 420 F N 1.159 120.946 119.950 -0.272 0.000 2.671 420 F HA 0.642 5.171 4.527 0.003 0.000 0.332 420 F C -1.720 173.892 175.800 -0.312 0.000 1.189 420 F CA -2.540 55.384 58.000 -0.126 0.000 0.988 420 F CB 1.208 40.178 39.000 -0.050 0.000 1.258 420 F HN 0.289 nan 8.300 nan 0.000 0.471 421 F N 5.565 125.820 119.950 0.508 0.000 2.404 421 F HA 0.465 4.995 4.527 0.005 0.000 0.339 421 F C -0.267 175.748 175.800 0.357 0.000 1.105 421 F CA -0.323 57.817 58.000 0.234 0.000 1.087 421 F CB 0.888 40.107 39.000 0.365 0.000 1.143 421 F HN 0.301 nan 8.300 nan 0.000 0.491 422 Y N 0.530 121.003 120.300 0.289 0.000 2.356 422 Y HA 0.334 4.888 4.550 0.006 0.000 0.341 422 Y C 0.665 176.710 175.900 0.242 0.000 1.343 422 Y CA -1.727 56.478 58.100 0.175 0.000 1.570 422 Y CB 0.166 38.622 38.460 -0.006 0.000 1.558 422 Y HN 0.396 nan 8.280 nan 0.000 0.557 423 R N 2.048 122.763 120.500 0.359 0.000 2.485 423 R HA -0.119 4.224 4.340 0.005 0.000 0.304 423 R C -0.001 176.424 176.300 0.208 0.000 0.934 423 R CA 0.742 56.986 56.100 0.241 0.000 1.102 423 R CB -0.547 29.849 30.300 0.159 0.000 0.906 423 R HN 0.766 nan 8.270 nan 0.000 0.407 424 N N 0.998 119.806 118.700 0.179 0.000 2.753 424 N HA -0.165 4.578 4.740 0.005 0.000 0.251 424 N C -0.081 175.522 175.510 0.155 0.000 1.097 424 N CA 1.422 54.552 53.050 0.133 0.000 0.786 424 N CB -1.429 37.115 38.487 0.095 0.000 1.137 424 N HN 0.768 nan 8.380 nan 0.000 0.566 425 G N 0.189 109.136 108.800 0.246 0.000 2.483 425 G HA2 0.529 4.491 3.960 0.005 0.000 0.248 425 G HA3 0.529 4.491 3.960 0.005 0.000 0.248 425 G C 0.242 175.277 174.900 0.226 0.000 1.248 425 G CA -0.412 44.877 45.100 0.315 0.000 0.838 425 G HN 0.282 nan 8.290 nan 0.000 0.566 426 I N 1.487 122.178 120.570 0.203 0.000 2.362 426 I HA 0.115 4.288 4.170 0.005 0.000 0.289 426 I C -0.826 175.373 176.117 0.137 0.000 0.994 426 I CA -0.945 60.398 61.300 0.072 0.000 1.158 426 I CB 1.667 39.715 38.000 0.079 0.000 1.315 426 I HN 0.368 nan 8.210 nan 0.000 0.451 427 Y N 6.408 126.496 120.300 -0.353 0.000 2.531 427 Y HA 0.107 4.660 4.550 0.005 0.000 0.347 427 Y C 0.924 176.861 175.900 0.061 0.000 1.024 427 Y CA -0.358 57.659 58.100 -0.137 0.000 1.306 427 Y CB 0.509 38.741 38.460 -0.381 0.000 1.149 427 Y HN 0.591 nan 8.280 nan 0.000 0.527 428 S N 8.964 124.964 115.700 0.500 0.000 2.599 428 S HA 0.034 4.507 4.470 0.005 0.000 0.303 428 S C -2.331 172.441 174.600 0.287 0.000 1.267 428 S CA -1.015 57.371 58.200 0.310 0.000 1.055 428 S CB -0.020 63.345 63.200 0.274 0.000 0.790 428 S HN 0.521 nan 8.310 nan 0.000 0.500 429 P HA 0.142 nan 4.420 nan 0.000 0.266 429 P C -0.616 176.783 177.300 0.165 0.000 1.195 429 P CA 0.426 63.569 63.100 0.071 0.000 0.768 429 P CB 0.298 32.024 31.700 0.044 0.000 0.838 430 H N 0.571 119.655 119.070 0.023 0.000 2.932 430 H HA 0.499 5.058 4.556 0.005 0.000 0.307 430 H C -1.681 173.735 175.328 0.147 0.000 1.391 430 H CA -0.962 55.104 56.048 0.030 0.000 1.130 430 H CB 0.396 30.106 29.762 -0.087 0.000 1.836 430 H HN 0.608 nan 8.280 nan 0.000 0.522 431 W N 0.731 122.057 121.300 0.043 0.000 2.864 431 W HA 0.541 5.204 4.660 0.005 0.000 0.343 431 W C -1.271 175.286 176.519 0.064 0.000 1.109 431 W CA -1.021 56.309 57.345 -0.025 0.000 1.192 431 W CB 1.021 30.438 29.460 -0.072 0.000 1.426 431 W HN 0.327 nan 8.180 nan 0.000 0.529 432 N N 2.515 121.305 118.700 0.149 0.000 2.405 432 N HA 0.019 4.762 4.740 0.005 0.000 0.260 432 N C 1.090 176.575 175.510 -0.043 0.000 1.152 432 N CA 0.065 53.096 53.050 -0.032 0.000 0.948 432 N CB 1.910 40.385 38.487 -0.019 0.000 1.111 432 N HN 0.499 nan 8.380 nan 0.000 0.485 433 V N 2.553 122.255 119.914 -0.354 0.000 2.287 433 V HA -0.244 3.878 4.120 0.005 0.000 0.248 433 V C 1.562 177.496 176.094 -0.267 0.000 1.053 433 V CA 1.795 63.889 62.300 -0.343 0.000 1.027 433 V CB -0.322 30.956 31.823 -0.907 0.000 0.646 433 V HN 0.753 nan 8.190 nan 0.000 0.447 434 N N -0.806 117.669 118.700 -0.374 0.000 2.184 434 N HA 0.455 5.198 4.740 0.005 0.000 0.234 434 N C -0.336 175.039 175.510 -0.225 0.000 1.282 434 N CA 0.645 53.548 53.050 -0.245 0.000 0.877 434 N CB 1.029 39.398 38.487 -0.196 0.000 1.184 434 N HN 0.469 nan 8.380 nan 0.000 0.510 435 A N -0.151 122.516 122.820 -0.255 0.000 2.606 435 A HA 0.574 4.897 4.320 0.005 0.000 0.293 435 A C -1.291 176.107 177.584 -0.309 0.000 1.082 435 A CA -0.693 51.166 52.037 -0.296 0.000 0.685 435 A CB 0.969 19.830 19.000 -0.232 0.000 1.284 435 A HN 0.243 nan 8.150 nan 0.000 0.408 436 H N 0.272 119.283 119.070 -0.099 0.000 2.607 436 H HA 0.566 5.125 4.556 0.005 0.000 0.367 436 H C -0.180 175.073 175.328 -0.125 0.000 1.181 436 H CA 0.241 56.228 56.048 -0.102 0.000 1.402 436 H CB 1.549 31.261 29.762 -0.083 0.000 1.474 436 H HN 0.504 nan 8.280 nan 0.000 0.596 437 S N 1.338 117.043 115.700 0.007 0.000 2.707 437 S HA 0.339 4.812 4.470 0.005 0.000 0.312 437 S C -0.909 173.609 174.600 -0.136 0.000 1.116 437 S CA -0.746 57.407 58.200 -0.078 0.000 1.078 437 S CB 0.173 63.324 63.200 -0.082 0.000 0.997 437 S HN 0.328 nan 8.310 nan 0.000 0.477 438 V N 6.078 125.927 119.914 -0.108 0.000 2.350 438 V HA 0.470 4.593 4.120 0.005 0.000 0.276 438 V C -0.226 175.719 176.094 -0.248 0.000 1.028 438 V CA -0.538 61.651 62.300 -0.186 0.000 0.860 438 V CB 1.321 33.112 31.823 -0.052 0.000 0.990 438 V HN 0.702 nan 8.190 nan 0.000 0.453 439 V N 5.709 125.332 119.914 -0.484 0.000 2.459 439 V HA 0.409 4.532 4.120 0.005 0.000 0.295 439 V C -0.860 175.068 176.094 -0.277 0.000 1.029 439 V CA -0.807 61.190 62.300 -0.506 0.000 0.874 439 V CB 1.623 32.791 31.823 -1.093 0.000 0.985 439 V HN 0.760 nan 8.190 nan 0.000 0.438 440 Y N 4.394 124.644 120.300 -0.084 0.000 2.328 440 Y HA 0.624 5.177 4.550 0.004 0.000 0.337 440 Y C -0.266 175.725 175.900 0.152 0.000 0.966 440 Y CA -0.796 57.345 58.100 0.069 0.000 1.136 440 Y CB 1.770 40.329 38.460 0.164 0.000 1.170 440 Y HN 0.422 nan 8.280 nan 0.000 0.470 441 V N 8.900 128.556 119.914 -0.428 0.000 2.408 441 V HA 0.093 4.216 4.120 0.005 0.000 0.267 441 V C 0.901 176.775 176.094 -0.366 0.000 1.047 441 V CA 0.252 62.442 62.300 -0.183 0.000 0.937 441 V CB 0.586 32.472 31.823 0.104 0.000 0.999 441 V HN 0.925 nan 8.190 nan 0.000 0.472 442 I N 3.397 123.911 120.570 -0.093 0.000 2.585 442 I HA 0.184 4.357 4.170 0.005 0.000 0.254 442 I C 1.225 177.361 176.117 0.032 0.000 1.129 442 I CA 0.859 62.207 61.300 0.080 0.000 1.455 442 I CB 0.152 38.231 38.000 0.132 0.000 1.111 442 I HN 0.539 nan 8.210 nan 0.000 0.433 443 R N -0.576 119.913 120.500 -0.018 0.000 2.664 443 R HA 0.459 4.802 4.340 0.005 0.000 0.266 443 R C -0.466 175.887 176.300 0.088 0.000 1.046 443 R CA 0.160 56.268 56.100 0.012 0.000 0.885 443 R CB 1.595 31.861 30.300 -0.056 0.000 1.254 443 R HN 0.230 nan 8.270 nan 0.000 0.465 444 G N 1.968 110.852 108.800 0.140 0.000 2.553 444 G HA2 -0.266 3.697 3.960 0.005 0.000 0.242 444 G HA3 -0.266 3.697 3.960 0.005 0.000 0.242 444 G C -1.295 173.775 174.900 0.283 0.000 1.277 444 G CA -0.000 45.233 45.100 0.223 0.000 0.910 444 G HN 0.939 nan 8.290 nan 0.000 0.576 445 N N -0.577 118.306 118.700 0.306 0.000 2.961 445 N HA 0.713 5.456 4.740 0.005 0.000 0.245 445 N C -0.726 174.694 175.510 -0.149 0.000 1.404 445 N CA -0.210 52.922 53.050 0.135 0.000 0.880 445 N CB 1.608 40.125 38.487 0.050 0.000 1.461 445 N HN 2.239 nan 8.380 nan 0.000 0.510 446 A N 0.286 122.842 122.820 -0.440 0.000 2.594 446 A HA 0.611 4.934 4.320 0.005 0.000 0.295 446 A C -1.196 176.131 177.584 -0.428 0.000 1.071 446 A CA -0.737 50.928 52.037 -0.621 0.000 0.685 446 A CB 1.873 20.011 19.000 -1.437 0.000 1.285 446 A HN 0.529 nan 8.150 nan 0.000 0.405 447 R N 1.028 121.330 120.500 -0.329 0.000 2.234 447 R HA 0.517 4.860 4.340 0.005 0.000 0.324 447 R C -1.343 174.766 176.300 -0.319 0.000 1.054 447 R CA -0.045 55.896 56.100 -0.264 0.000 0.912 447 R CB 0.569 30.762 30.300 -0.177 0.000 1.030 447 R HN 0.502 nan 8.270 nan 0.000 0.455 448 V N 5.548 125.253 119.914 -0.349 0.000 2.444 448 V HA 0.327 4.450 4.120 0.005 0.000 0.294 448 V C -0.264 175.659 176.094 -0.286 0.000 1.022 448 V CA -0.769 61.307 62.300 -0.374 0.000 0.850 448 V CB 1.926 33.381 31.823 -0.613 0.000 0.992 448 V HN 0.631 nan 8.190 nan 0.000 0.426 449 Q N 3.297 122.968 119.800 -0.216 0.000 2.333 449 Q HA 0.620 4.963 4.340 0.005 0.000 0.265 449 Q C -1.118 174.798 176.000 -0.140 0.000 0.989 449 Q CA -0.586 55.119 55.803 -0.164 0.000 0.842 449 Q CB 2.695 31.356 28.738 -0.128 0.000 1.262 449 Q HN 0.596 nan 8.270 nan 0.000 0.451 450 V N 3.527 123.377 119.914 -0.107 0.000 2.370 450 V HA 0.331 4.453 4.120 0.005 0.000 0.279 450 V C -0.255 175.832 176.094 -0.012 0.000 1.029 450 V CA -0.666 61.606 62.300 -0.046 0.000 0.870 450 V CB 1.501 33.320 31.823 -0.006 0.000 0.984 450 V HN 0.495 nan 8.190 nan 0.000 0.451 451 V N 5.762 125.664 119.914 -0.020 0.000 2.384 451 V HA 0.391 4.514 4.120 0.005 0.000 0.287 451 V C 0.281 176.279 176.094 -0.160 0.000 1.020 451 V CA -0.846 61.413 62.300 -0.068 0.000 0.850 451 V CB 1.666 33.431 31.823 -0.097 0.000 0.987 451 V HN 1.044 nan 8.190 nan 0.000 0.436 452 N N 4.366 122.931 118.700 -0.224 0.000 2.374 452 N HA 0.076 4.819 4.740 0.005 0.000 0.284 452 N C 1.166 176.431 175.510 -0.407 0.000 1.280 452 N CA -0.168 52.557 53.050 -0.542 0.000 0.963 452 N CB 0.285 38.603 38.487 -0.283 0.000 1.141 452 N HN 0.655 nan 8.380 nan 0.000 0.565 453 E N -0.677 119.292 120.200 -0.386 0.000 2.338 453 E HA -0.172 4.181 4.350 0.005 0.000 0.197 453 E C -0.015 176.478 176.600 -0.178 0.000 1.007 453 E CA 0.930 57.174 56.400 -0.261 0.000 0.849 453 E CB -0.553 29.023 29.700 -0.207 0.000 0.774 453 E HN 0.543 nan 8.360 nan 0.000 0.506 454 N N 0.873 119.483 118.700 -0.150 0.000 2.461 454 N HA 0.026 4.769 4.740 0.005 0.000 0.188 454 N C 1.085 176.535 175.510 -0.100 0.000 1.134 454 N CA 1.049 54.035 53.050 -0.107 0.000 0.878 454 N CB 0.623 39.062 38.487 -0.080 0.000 0.972 454 N HN 0.494 nan 8.380 nan 0.000 0.456 455 G N 0.660 109.388 108.800 -0.121 0.000 2.159 455 G HA2 -0.225 3.738 3.960 0.005 0.000 0.256 455 G HA3 -0.225 3.738 3.960 0.005 0.000 0.256 455 G C -0.515 174.335 174.900 -0.083 0.000 0.977 455 G CA 0.005 45.046 45.100 -0.099 0.000 0.652 455 G HN 0.273 nan 8.290 nan 0.000 0.531 456 D N 0.548 120.898 120.400 -0.083 0.000 2.255 456 D HA 0.606 5.249 4.640 0.005 0.000 0.249 456 D C 0.481 176.745 176.300 -0.060 0.000 1.078 456 D CA 0.617 54.580 54.000 -0.063 0.000 0.896 456 D CB 1.494 42.264 40.800 -0.051 0.000 1.194 456 D HN 0.602 nan 8.370 nan 0.000 0.429 457 A N 2.176 124.966 122.820 -0.051 0.000 2.582 457 A HA 0.300 4.623 4.320 0.005 0.000 0.336 457 A C 1.317 178.878 177.584 -0.039 0.000 1.445 457 A CA -0.594 51.413 52.037 -0.051 0.000 0.997 457 A CB -0.742 18.222 19.000 -0.061 0.000 1.148 457 A HN 0.646 nan 8.150 nan 0.000 0.514 458 I N 0.043 120.603 120.570 -0.017 0.000 3.176 458 I HA 0.238 4.411 4.170 0.005 0.000 0.275 458 I C 0.069 176.172 176.117 -0.024 0.000 1.298 458 I CA 0.542 61.839 61.300 -0.005 0.000 1.445 458 I CB -0.097 37.922 38.000 0.033 0.000 1.075 458 I HN 0.400 nan 8.210 nan 0.000 0.482 459 L N 1.136 122.330 121.223 -0.048 0.000 2.431 459 L HA 0.662 5.005 4.340 0.005 0.000 0.266 459 L C -1.952 174.849 176.870 -0.116 0.000 0.978 459 L CA -0.234 54.553 54.840 -0.089 0.000 0.822 459 L CB 1.985 43.973 42.059 -0.119 0.000 1.310 459 L HN 0.041 nan 8.230 nan 0.000 0.409 460 D N 3.922 124.247 120.400 -0.125 0.000 2.591 460 D HA 0.405 5.048 4.640 0.005 0.000 0.222 460 D C -1.767 174.452 176.300 -0.135 0.000 1.360 460 D CA 0.018 53.938 54.000 -0.133 0.000 0.967 460 D CB 1.351 42.093 40.800 -0.096 0.000 1.456 460 D HN 0.722 nan 8.370 nan 0.000 0.588 461 Q N 2.007 121.701 119.800 -0.176 0.000 2.666 461 Q HA 0.172 4.515 4.340 0.005 0.000 0.276 461 Q C -1.575 174.302 176.000 -0.204 0.000 0.952 461 Q CA -0.640 55.061 55.803 -0.170 0.000 0.850 461 Q CB 1.384 30.014 28.738 -0.180 0.000 1.512 461 Q HN 0.211 nan 8.270 nan 0.000 0.395 462 E N 1.984 122.093 120.200 -0.153 0.000 2.105 462 E HA 0.228 4.581 4.350 0.005 0.000 0.285 462 E C -0.395 176.121 176.600 -0.141 0.000 1.055 462 E CA -0.087 56.222 56.400 -0.151 0.000 0.843 462 E CB 1.267 30.912 29.700 -0.092 0.000 1.067 462 E HN 0.449 nan 8.360 nan 0.000 0.398 463 V N 1.818 121.615 119.914 -0.195 0.000 2.607 463 V HA 0.379 4.502 4.120 0.005 0.000 0.289 463 V C -0.077 176.030 176.094 0.021 0.000 1.053 463 V CA -0.654 61.584 62.300 -0.104 0.000 0.996 463 V CB 1.529 33.239 31.823 -0.189 0.000 0.995 463 V HN 0.438 nan 8.190 nan 0.000 0.476 464 Q N 2.082 121.932 119.800 0.083 0.000 2.445 464 Q HA 0.399 4.742 4.340 0.005 0.000 0.281 464 Q C -0.620 175.451 176.000 0.117 0.000 1.101 464 Q CA -0.944 54.921 55.803 0.104 0.000 0.833 464 Q CB 1.702 30.484 28.738 0.072 0.000 1.416 464 Q HN 0.932 nan 8.270 nan 0.000 0.451 465 Q N -0.157 119.704 119.800 0.101 0.000 2.398 465 Q HA 0.102 4.445 4.340 0.005 0.000 0.329 465 Q C 0.629 176.655 176.000 0.043 0.000 1.079 465 Q CA 1.850 57.688 55.803 0.058 0.000 1.041 465 Q CB -0.279 28.504 28.738 0.074 0.000 1.084 465 Q HN 0.910 nan 8.270 nan 0.000 0.386 466 G N 2.553 111.322 108.800 -0.052 0.000 2.176 466 G HA2 -0.282 3.681 3.960 0.005 0.000 0.253 466 G HA3 -0.282 3.681 3.960 0.005 0.000 0.253 466 G C -0.202 174.796 174.900 0.164 0.000 0.979 466 G CA 0.369 45.516 45.100 0.078 0.000 0.641 466 G HN 0.633 nan 8.290 nan 0.000 0.530 467 Q N -0.613 119.237 119.800 0.083 0.000 2.205 467 Q HA 0.791 5.134 4.340 0.005 0.000 0.249 467 Q C -0.314 175.813 176.000 0.211 0.000 0.948 467 Q CA -0.626 55.334 55.803 0.261 0.000 0.895 467 Q CB 2.453 31.332 28.738 0.234 0.000 1.249 467 Q HN 0.419 nan 8.270 nan 0.000 0.458 468 L N 2.262 123.682 121.223 0.328 0.000 2.410 468 L HA 0.638 4.981 4.340 0.005 0.000 0.270 468 L C -1.627 175.338 176.870 0.158 0.000 0.983 468 L CA -0.757 54.143 54.840 0.100 0.000 0.822 468 L CB 1.039 42.925 42.059 -0.288 0.000 1.285 468 L HN 0.686 nan 8.230 nan 0.000 0.409 469 F N 3.130 123.031 119.950 -0.081 0.000 2.620 469 F HA 0.752 5.282 4.527 0.005 0.000 0.320 469 F C -1.228 174.457 175.800 -0.192 0.000 1.069 469 F CA -1.255 56.668 58.000 -0.130 0.000 0.953 469 F CB 1.058 40.012 39.000 -0.077 0.000 1.322 469 F HN 0.134 nan 8.300 nan 0.000 0.479 470 I N 2.258 122.777 120.570 -0.086 0.000 2.378 470 I HA 0.445 4.618 4.170 0.005 0.000 0.291 470 I C -1.009 175.063 176.117 -0.074 0.000 0.992 470 I CA -1.198 59.975 61.300 -0.213 0.000 1.154 470 I CB 1.999 39.794 38.000 -0.343 0.000 1.315 470 I HN 0.432 nan 8.210 nan 0.000 0.448 471 V N 8.192 128.049 119.914 -0.096 0.000 2.304 471 V HA 0.273 4.396 4.120 0.005 0.000 0.269 471 V C -2.205 173.845 176.094 -0.074 0.000 1.036 471 V CA -1.786 60.484 62.300 -0.050 0.000 0.840 471 V CB 0.599 32.411 31.823 -0.019 0.000 1.036 471 V HN 0.553 nan 8.190 nan 0.000 0.466 472 P HA 0.054 nan 4.420 nan 0.000 0.269 472 P C -0.099 177.225 177.300 0.041 0.000 1.215 472 P CA -0.250 62.766 63.100 -0.140 0.000 0.780 472 P CB 0.453 31.759 31.700 -0.657 0.000 0.898 473 Q N 2.569 122.527 119.800 0.262 0.000 2.304 473 Q HA -0.169 4.174 4.340 0.005 0.000 0.315 473 Q C 0.344 176.445 176.000 0.168 0.000 1.075 473 Q CA 1.111 56.938 55.803 0.039 0.000 0.988 473 Q CB -0.599 28.023 28.738 -0.193 0.000 1.146 473 Q HN 0.503 nan 8.270 nan 0.000 0.383 474 N N 0.871 119.685 118.700 0.190 0.000 2.951 474 N HA -0.223 4.520 4.740 0.005 0.000 0.213 474 N C -0.945 174.642 175.510 0.130 0.000 0.877 474 N CA 0.713 53.876 53.050 0.188 0.000 1.042 474 N CB -1.001 37.520 38.487 0.058 0.000 1.005 474 N HN 0.652 nan 8.380 nan 0.000 0.604 475 H N 0.650 119.718 119.070 -0.003 0.000 2.897 475 H HA 0.309 4.868 4.556 0.005 0.000 0.347 475 H C 1.171 176.481 175.328 -0.029 0.000 1.068 475 H CA 1.223 57.247 56.048 -0.039 0.000 1.426 475 H CB 0.366 30.110 29.762 -0.031 0.000 1.410 475 H HN 0.280 nan 8.280 nan 0.000 0.597 476 G N 1.220 110.021 108.800 0.002 0.000 2.442 476 G HA2 0.403 4.366 3.960 0.005 0.000 0.249 476 G HA3 0.403 4.366 3.960 0.005 0.000 0.249 476 G C -0.786 174.046 174.900 -0.113 0.000 1.263 476 G CA -0.280 44.795 45.100 -0.041 0.000 0.846 476 G HN 0.560 nan 8.290 nan 0.000 0.555 477 V N 3.577 123.331 119.914 -0.266 0.000 2.808 477 V HA 0.743 4.866 4.120 0.005 0.000 0.308 477 V C -0.981 174.906 176.094 -0.345 0.000 1.099 477 V CA -0.948 61.155 62.300 -0.329 0.000 0.920 477 V CB 1.779 33.367 31.823 -0.392 0.000 1.014 477 V HN 0.738 nan 8.190 nan 0.000 0.425 478 I N 4.825 125.257 120.570 -0.230 0.000 2.647 478 I HA 0.647 4.820 4.170 0.005 0.000 0.295 478 I C -0.974 175.027 176.117 -0.194 0.000 1.078 478 I CA -0.275 60.921 61.300 -0.174 0.000 1.048 478 I CB 2.178 40.111 38.000 -0.112 0.000 1.239 478 I HN 0.759 nan 8.210 nan 0.000 0.421 479 Q N 5.991 125.682 119.800 -0.181 0.000 2.268 479 Q HA 0.355 4.698 4.340 0.005 0.000 0.266 479 Q C -1.605 174.255 176.000 -0.232 0.000 1.006 479 Q CA -0.632 55.021 55.803 -0.250 0.000 0.824 479 Q CB 2.617 31.204 28.738 -0.251 0.000 1.306 479 Q HN 0.535 nan 8.270 nan 0.000 0.424 480 Q N 1.659 121.317 119.800 -0.238 0.000 2.330 480 Q HA 0.731 5.074 4.340 0.005 0.000 0.269 480 Q C -1.287 174.600 176.000 -0.188 0.000 1.022 480 Q CA -0.505 55.199 55.803 -0.165 0.000 0.796 480 Q CB 1.702 30.385 28.738 -0.092 0.000 1.271 480 Q HN 0.762 nan 8.270 nan 0.000 0.450 481 A N 2.984 125.758 122.820 -0.076 0.000 2.462 481 A HA 0.535 4.858 4.320 0.005 0.000 0.243 481 A C 0.687 178.300 177.584 0.047 0.000 1.076 481 A CA 0.398 52.453 52.037 0.030 0.000 0.773 481 A CB 0.237 19.423 19.000 0.310 0.000 1.010 481 A HN 0.939 nan 8.150 nan 0.000 0.493 482 G N 0.269 109.096 108.800 0.044 0.000 2.443 482 G HA2 -0.009 3.954 3.960 0.005 0.000 0.286 482 G HA3 -0.009 3.954 3.960 0.005 0.000 0.286 482 G C 0.911 175.882 174.900 0.118 0.000 1.393 482 G CA 0.118 45.257 45.100 0.065 0.000 1.080 482 G HN 0.792 nan 8.290 nan 0.000 0.566 483 N N -1.231 117.531 118.700 0.103 0.000 2.446 483 N HA -0.033 4.710 4.740 0.005 0.000 0.179 483 N C 1.734 177.328 175.510 0.140 0.000 1.054 483 N CA 0.394 53.509 53.050 0.108 0.000 0.905 483 N CB 0.277 38.810 38.487 0.076 0.000 0.973 483 N HN 0.389 nan 8.380 nan 0.000 0.448 484 Q N -0.044 119.854 119.800 0.163 0.000 2.222 484 Q HA 0.288 4.631 4.340 0.005 0.000 0.206 484 Q C 0.476 176.659 176.000 0.304 0.000 0.877 484 Q CA -0.095 55.828 55.803 0.199 0.000 0.958 484 Q CB 0.389 29.224 28.738 0.161 0.000 1.075 484 Q HN 0.325 nan 8.270 nan 0.000 0.483 485 G N 0.851 109.866 108.800 0.359 0.000 2.692 485 G HA2 -0.290 3.673 3.960 0.005 0.000 0.248 485 G HA3 -0.290 3.673 3.960 0.005 0.000 0.248 485 G C -0.803 174.416 174.900 0.532 0.000 1.340 485 G CA -0.074 45.345 45.100 0.532 0.000 0.896 485 G HN 0.348 nan 8.290 nan 0.000 0.570 486 F N 0.544 120.728 119.950 0.391 0.000 2.623 486 F HA 0.621 5.151 4.527 0.005 0.000 0.323 486 F C -0.934 175.035 175.800 0.281 0.000 1.158 486 F CA -0.802 57.369 58.000 0.285 0.000 1.030 486 F CB 1.572 40.750 39.000 0.296 0.000 1.280 486 F HN 0.608 nan 8.300 nan 0.000 0.474 487 E N 6.000 125.991 120.200 -0.348 0.000 2.199 487 E HA 0.437 4.790 4.350 0.005 0.000 0.265 487 E C -1.761 174.571 176.600 -0.447 0.000 0.882 487 E CA -0.819 55.311 56.400 -0.449 0.000 0.759 487 E CB 2.493 31.895 29.700 -0.496 0.000 1.148 487 E HN 0.551 nan 8.360 nan 0.000 0.412 488 Y N 0.724 120.750 120.300 -0.457 0.000 2.588 488 Y HA 0.660 5.213 4.550 0.006 0.000 0.343 488 Y C -1.736 174.102 175.900 -0.104 0.000 1.065 488 Y CA -1.696 56.227 58.100 -0.295 0.000 1.038 488 Y CB 1.139 39.365 38.460 -0.390 0.000 1.297 488 Y HN 0.446 nan 8.280 nan 0.000 0.467 489 F N 2.166 121.996 119.950 -0.199 0.000 2.467 489 F HA 0.887 5.417 4.527 0.005 0.000 0.336 489 F C -0.904 174.935 175.800 0.065 0.000 1.123 489 F CA -0.930 56.892 58.000 -0.296 0.000 0.964 489 F CB 1.260 39.922 39.000 -0.563 0.000 1.136 489 F HN 0.930 nan 8.300 nan 0.000 0.447 490 A N 6.258 128.768 122.820 -0.517 0.000 2.330 490 A HA 0.602 4.925 4.320 0.005 0.000 0.327 490 A C -1.889 175.217 177.584 -0.797 0.000 1.155 490 A CA -0.519 51.253 52.037 -0.442 0.000 0.803 490 A CB 0.634 19.583 19.000 -0.085 0.000 1.208 490 A HN 0.795 nan 8.150 nan 0.000 0.477 491 F N 1.977 121.539 119.950 -0.646 0.000 2.404 491 F HA 0.609 5.139 4.527 0.005 0.000 0.354 491 F C -0.018 175.640 175.800 -0.237 0.000 1.122 491 F CA -0.287 57.468 58.000 -0.409 0.000 1.080 491 F CB 1.232 40.113 39.000 -0.199 0.000 1.131 491 F HN 0.483 nan 8.300 nan 0.000 0.471 492 K N 3.098 123.090 120.400 -0.679 0.000 2.274 492 K HA 0.276 4.598 4.320 0.005 0.000 0.262 492 K C 0.062 176.271 176.600 -0.653 0.000 0.961 492 K CA -0.535 55.463 56.287 -0.483 0.000 0.833 492 K CB 1.613 33.933 32.500 -0.301 0.000 1.102 492 K HN 0.643 nan 8.250 nan 0.000 0.436 493 T N -0.376 113.893 114.554 -0.475 0.000 3.327 493 T HA 0.200 4.553 4.350 0.005 0.000 0.241 493 T C -0.061 174.419 174.700 -0.368 0.000 0.907 493 T CA -0.405 61.356 62.100 -0.565 0.000 0.931 493 T CB -0.349 68.293 68.868 -0.377 0.000 1.112 493 T HN 0.504 nan 8.240 nan 0.000 0.589 494 E N 0.478 120.503 120.200 -0.291 0.000 2.407 494 E HA 0.310 4.663 4.350 0.005 0.000 0.279 494 E C -1.413 175.115 176.600 -0.119 0.000 1.012 494 E CA -0.742 55.564 56.400 -0.156 0.000 0.800 494 E CB 1.426 31.054 29.700 -0.119 0.000 1.276 494 E HN 0.321 nan 8.360 nan 0.000 0.452 495 E N 1.927 122.094 120.200 -0.055 0.000 2.360 495 E HA 0.116 4.469 4.350 0.005 0.000 0.269 495 E C -0.590 176.020 176.600 0.018 0.000 1.022 495 E CA 0.011 56.397 56.400 -0.024 0.000 0.887 495 E CB 0.192 29.887 29.700 -0.007 0.000 0.990 495 E HN 0.543 nan 8.360 nan 0.000 0.426 496 N N 1.487 120.209 118.700 0.037 0.000 2.688 496 N HA -0.211 4.532 4.740 0.005 0.000 0.258 496 N C -1.097 174.525 175.510 0.186 0.000 1.016 496 N CA 0.963 54.083 53.050 0.117 0.000 0.747 496 N CB -1.514 37.057 38.487 0.140 0.000 0.895 496 N HN 0.535 nan 8.380 nan 0.000 0.543 497 A N 0.410 123.282 122.820 0.087 0.000 2.440 497 A HA 0.549 4.872 4.320 0.005 0.000 0.251 497 A C 0.409 178.087 177.584 0.157 0.000 1.089 497 A CA -0.079 51.981 52.037 0.039 0.000 0.779 497 A CB 0.062 19.013 19.000 -0.082 0.000 1.022 497 A HN 0.472 nan 8.150 nan 0.000 0.492 498 F N 0.706 120.618 119.950 -0.062 0.000 2.726 498 F HA 0.842 5.371 4.527 0.005 0.000 0.324 498 F C -0.641 175.089 175.800 -0.118 0.000 1.140 498 F CA -1.403 56.550 58.000 -0.078 0.000 0.964 498 F CB 1.258 40.217 39.000 -0.068 0.000 1.399 498 F HN 0.650 nan 8.300 nan 0.000 0.491 499 I N -0.469 120.047 120.570 -0.089 0.000 3.042 499 I HA 0.641 4.814 4.170 0.005 0.000 0.310 499 I C -1.852 174.080 176.117 -0.308 0.000 1.117 499 I CA -0.912 60.223 61.300 -0.276 0.000 1.003 499 I CB 2.412 40.270 38.000 -0.236 0.000 1.228 499 I HN 0.815 nan 8.210 nan 0.000 0.443 500 N N 1.000 119.278 118.700 -0.703 0.000 2.284 500 N HA 0.547 5.290 4.740 0.005 0.000 0.300 500 N C -0.952 174.270 175.510 -0.479 0.000 1.047 500 N CA -0.503 52.103 53.050 -0.739 0.000 0.821 500 N CB 1.790 39.334 38.487 -1.572 0.000 1.337 500 N HN 0.874 nan 8.380 nan 0.000 0.482 501 T N 0.634 115.109 114.554 -0.133 0.000 2.907 501 T HA 0.305 4.658 4.350 0.005 0.000 0.284 501 T C 0.788 175.600 174.700 0.187 0.000 1.004 501 T CA -0.736 61.407 62.100 0.072 0.000 1.063 501 T CB 0.969 69.898 68.868 0.103 0.000 0.992 501 T HN 0.217 nan 8.240 nan 0.000 0.483 502 L N 0.685 122.055 121.223 0.244 0.000 2.585 502 L HA 0.477 4.820 4.340 0.005 0.000 0.226 502 L C 1.033 178.026 176.870 0.205 0.000 1.113 502 L CA 0.117 55.142 54.840 0.308 0.000 0.876 502 L CB -1.249 40.964 42.059 0.256 0.000 1.072 502 L HN 0.986 nan 8.230 nan 0.000 0.468 503 A N -1.119 121.793 122.820 0.153 0.000 2.427 503 A HA 0.751 5.074 4.320 0.005 0.000 0.298 503 A C 0.209 177.850 177.584 0.096 0.000 1.036 503 A CA 0.172 52.270 52.037 0.103 0.000 0.701 503 A CB 1.529 20.581 19.000 0.087 0.000 1.250 503 A HN 0.358 nan 8.150 nan 0.000 0.412 504 G N 0.692 109.533 108.800 0.069 0.000 2.331 504 G HA2 0.037 4.000 3.960 0.005 0.000 0.479 504 G HA3 0.037 4.000 3.960 0.005 0.000 0.479 504 G C 0.302 175.237 174.900 0.059 0.000 1.262 504 G CA -0.044 45.096 45.100 0.066 0.000 1.029 504 G HN 0.892 nan 8.290 nan 0.000 0.487 505 R N -0.924 119.613 120.500 0.062 0.000 2.285 505 R HA 0.185 4.528 4.340 0.005 0.000 0.213 505 R C 1.682 178.016 176.300 0.056 0.000 1.068 505 R CA 1.702 57.842 56.100 0.067 0.000 1.004 505 R CB -0.121 30.215 30.300 0.060 0.000 0.873 505 R HN 0.418 nan 8.270 nan 0.000 0.467 506 T N -0.640 113.944 114.554 0.051 0.000 3.209 506 T HA 0.091 4.444 4.350 0.005 0.000 0.295 506 T C -0.377 174.358 174.700 0.058 0.000 0.977 506 T CA -0.099 62.027 62.100 0.044 0.000 0.922 506 T CB 0.393 69.281 68.868 0.033 0.000 1.152 506 T HN 0.267 nan 8.240 nan 0.000 0.527 507 S N 0.405 116.147 115.700 0.070 0.000 2.603 507 S HA 0.326 4.799 4.470 0.005 0.000 0.268 507 S C 1.178 175.863 174.600 0.142 0.000 1.317 507 S CA -0.756 57.517 58.200 0.122 0.000 1.012 507 S CB 0.393 63.662 63.200 0.116 0.000 0.926 507 S HN 0.340 nan 8.310 nan 0.000 0.539 508 F N 2.176 122.181 119.950 0.092 0.000 2.161 508 F HA -0.083 4.447 4.527 0.005 0.000 0.300 508 F C 1.537 177.402 175.800 0.108 0.000 1.089 508 F CA 1.359 59.442 58.000 0.139 0.000 1.282 508 F CB -0.535 38.631 39.000 0.277 0.000 1.010 508 F HN 0.557 nan 8.300 nan 0.000 0.485 509 L N 0.765 121.701 121.223 -0.478 0.000 2.043 509 L HA -0.231 4.112 4.340 0.005 0.000 0.212 509 L C 2.683 179.346 176.870 -0.344 0.000 1.075 509 L CA 1.588 56.127 54.840 -0.501 0.000 0.752 509 L CB -0.769 41.186 42.059 -0.173 0.000 0.891 509 L HN 0.139 nan 8.230 nan 0.000 0.432 510 R N 0.056 120.426 120.500 -0.218 0.000 2.237 510 R HA -0.052 4.291 4.340 0.005 0.000 0.219 510 R C 2.024 178.247 176.300 -0.128 0.000 1.080 510 R CA 1.080 57.071 56.100 -0.183 0.000 0.995 510 R CB -0.392 29.854 30.300 -0.092 0.000 0.875 510 R HN 0.357 nan 8.270 nan 0.000 0.462 511 A N 1.054 123.787 122.820 -0.146 0.000 2.178 511 A HA 0.173 4.496 4.320 0.005 0.000 0.211 511 A C 1.049 178.574 177.584 -0.099 0.000 1.157 511 A CA 0.057 52.046 52.037 -0.079 0.000 0.780 511 A CB 0.176 19.161 19.000 -0.025 0.000 0.828 511 A HN 0.045 nan 8.150 nan 0.000 0.476 512 L N 0.676 121.786 121.223 -0.189 0.000 2.357 512 L HA 0.339 4.682 4.340 0.005 0.000 0.273 512 L C -2.443 174.373 176.870 -0.090 0.000 1.080 512 L CA -2.199 52.554 54.840 -0.144 0.000 0.803 512 L CB 0.652 42.585 42.059 -0.209 0.000 1.174 512 L HN -0.024 nan 8.230 nan 0.000 0.443 513 P HA 0.023 nan 4.420 nan 0.000 0.269 513 P C -0.136 177.147 177.300 -0.030 0.000 1.217 513 P CA -0.196 62.888 63.100 -0.026 0.000 0.783 513 P CB 0.663 32.355 31.700 -0.014 0.000 0.898 514 D N 0.947 121.340 120.400 -0.012 0.000 2.104 514 D HA -0.171 4.472 4.640 0.005 0.000 0.194 514 D C 1.501 177.801 176.300 -0.000 0.000 0.994 514 D CA 1.581 55.578 54.000 -0.006 0.000 0.830 514 D CB -0.217 40.594 40.800 0.017 0.000 0.959 514 D HN 0.566 nan 8.370 nan 0.000 0.452 515 E N 0.153 120.353 120.200 -0.000 0.000 2.208 515 E HA -0.089 4.264 4.350 0.005 0.000 0.193 515 E C 2.229 178.822 176.600 -0.012 0.000 0.988 515 E CA 0.371 56.771 56.400 -0.001 0.000 0.828 515 E CB 0.134 29.833 29.700 -0.001 0.000 0.763 515 E HN 0.211 nan 8.360 nan 0.000 0.478 516 V N 0.418 120.319 119.914 -0.022 0.000 2.548 516 V HA -0.183 3.940 4.120 0.005 0.000 0.249 516 V C 1.919 177.981 176.094 -0.053 0.000 1.055 516 V CA 1.237 63.513 62.300 -0.040 0.000 1.065 516 V CB -0.329 31.470 31.823 -0.039 0.000 0.681 516 V HN 0.193 nan 8.190 nan 0.000 0.462 517 L N 0.634 121.850 121.223 -0.013 0.000 2.027 517 L HA -0.020 4.323 4.340 0.005 0.000 0.206 517 L C 3.034 179.962 176.870 0.096 0.000 1.074 517 L CA 1.653 56.543 54.840 0.083 0.000 0.745 517 L CB -1.133 40.995 42.059 0.115 0.000 0.898 517 L HN 0.449 nan 8.230 nan 0.000 0.433 518 A N 0.725 123.575 122.820 0.050 0.000 1.841 518 A HA -0.251 4.072 4.320 0.005 0.000 0.216 518 A C 2.069 179.666 177.584 0.022 0.000 1.199 518 A CA 2.107 54.173 52.037 0.048 0.000 0.621 518 A CB -0.894 18.123 19.000 0.027 0.000 0.835 518 A HN 0.477 nan 8.150 nan 0.000 0.445 519 N N 0.263 118.957 118.700 -0.011 0.000 2.184 519 N HA -0.202 4.541 4.740 0.005 0.000 0.190 519 N C 1.823 177.285 175.510 -0.080 0.000 1.011 519 N CA 1.600 54.629 53.050 -0.035 0.000 0.867 519 N CB -0.347 38.117 38.487 -0.037 0.000 0.993 519 N HN 0.547 nan 8.380 nan 0.000 0.433 520 A N -0.196 122.526 122.820 -0.162 0.000 1.930 520 A HA -0.032 4.291 4.320 0.005 0.000 0.215 520 A C 1.105 178.447 177.584 -0.403 0.000 1.176 520 A CA 0.873 52.695 52.037 -0.357 0.000 0.632 520 A CB -0.214 18.426 19.000 -0.600 0.000 0.819 520 A HN 0.277 nan 8.150 nan 0.000 0.445 521 Y N -1.192 119.115 120.300 0.012 0.000 2.481 521 Y HA 0.291 4.844 4.550 0.005 0.000 0.247 521 Y C 0.137 176.039 175.900 0.004 0.000 1.151 521 Y CA -0.203 57.903 58.100 0.011 0.000 1.238 521 Y CB -0.008 38.460 38.460 0.014 0.000 1.179 521 Y HN 0.419 nan 8.280 nan 0.000 0.524 522 Q N 0.959 120.818 119.800 0.098 0.000 2.455 522 Q HA -0.179 4.164 4.340 0.005 0.000 0.343 522 Q C -0.661 175.381 176.000 0.069 0.000 1.458 522 Q CA 0.841 56.680 55.803 0.060 0.000 0.923 522 Q CB -2.022 26.742 28.738 0.044 0.000 1.149 522 Q HN 0.671 nan 8.270 nan 0.000 0.357 523 I N -3.535 117.078 120.570 0.072 0.000 3.191 523 I HA 0.735 4.908 4.170 0.005 0.000 0.313 523 I C 0.252 176.396 176.117 0.045 0.000 1.193 523 I CA -1.167 60.169 61.300 0.061 0.000 0.968 523 I CB 2.021 40.067 38.000 0.076 0.000 1.262 523 I HN 0.103 nan 8.210 nan 0.000 0.456 524 S N 1.655 117.375 115.700 0.033 0.000 2.603 524 S HA 0.397 4.870 4.470 0.005 0.000 0.268 524 S C 0.902 175.519 174.600 0.029 0.000 1.317 524 S CA -0.688 57.529 58.200 0.027 0.000 1.012 524 S CB 1.403 64.617 63.200 0.022 0.000 0.926 524 S HN 0.765 nan 8.310 nan 0.000 0.539 525 R N 1.209 121.725 120.500 0.026 0.000 2.103 525 R HA -0.139 4.204 4.340 0.005 0.000 0.242 525 R C 2.080 178.398 176.300 0.031 0.000 1.142 525 R CA 1.870 57.986 56.100 0.027 0.000 0.960 525 R CB -0.519 29.797 30.300 0.026 0.000 0.858 525 R HN 0.762 nan 8.270 nan 0.000 0.439 526 E N 1.029 121.246 120.200 0.029 0.000 2.058 526 E HA -0.234 4.119 4.350 0.005 0.000 0.194 526 E C 2.027 178.643 176.600 0.027 0.000 0.997 526 E CA 1.310 57.729 56.400 0.031 0.000 0.801 526 E CB -0.255 29.460 29.700 0.026 0.000 0.746 526 E HN 0.531 nan 8.360 nan 0.000 0.450 527 Q N 0.623 120.436 119.800 0.020 0.000 2.170 527 Q HA -0.066 4.277 4.340 0.005 0.000 0.203 527 Q C 2.233 178.234 176.000 0.001 0.000 0.976 527 Q CA 1.287 57.096 55.803 0.011 0.000 0.858 527 Q CB -0.253 28.491 28.738 0.010 0.000 0.907 527 Q HN 0.286 nan 8.270 nan 0.000 0.433 528 A N 1.558 124.385 122.820 0.011 0.000 1.883 528 A HA -0.231 4.092 4.320 0.005 0.000 0.217 528 A C 1.996 179.552 177.584 -0.048 0.000 1.186 528 A CA 1.534 53.569 52.037 -0.004 0.000 0.624 528 A CB -0.435 18.573 19.000 0.013 0.000 0.822 528 A HN 0.225 nan 8.150 nan 0.000 0.444 529 R N -0.647 119.850 120.500 -0.005 0.000 2.189 529 R HA -0.097 4.246 4.340 0.005 0.000 0.223 529 R C 2.300 178.615 176.300 0.024 0.000 1.092 529 R CA 1.366 57.481 56.100 0.025 0.000 0.989 529 R CB -0.228 30.173 30.300 0.168 0.000 0.876 529 R HN 0.705 nan 8.270 nan 0.000 0.457 530 Q N 0.270 120.079 119.800 0.015 0.000 2.187 530 Q HA -0.024 4.319 4.340 0.005 0.000 0.199 530 Q C 2.062 178.041 176.000 -0.035 0.000 0.957 530 Q CA 0.793 56.605 55.803 0.016 0.000 0.857 530 Q CB 0.104 28.851 28.738 0.015 0.000 0.929 530 Q HN 0.341 nan 8.270 nan 0.000 0.453 531 L N 0.548 121.725 121.223 -0.078 0.000 2.093 531 L HA -0.186 4.157 4.340 0.005 0.000 0.208 531 L C 2.203 178.971 176.870 -0.169 0.000 1.085 531 L CA 1.230 56.004 54.840 -0.109 0.000 0.755 531 L CB -0.173 41.811 42.059 -0.125 0.000 0.904 531 L HN 0.153 nan 8.230 nan 0.000 0.435 532 K N -0.890 119.324 120.400 -0.309 0.000 2.031 532 K HA -0.116 4.207 4.320 0.005 0.000 0.205 532 K C 1.480 177.801 176.600 -0.464 0.000 1.049 532 K CA 1.358 57.299 56.287 -0.577 0.000 0.939 532 K CB 0.030 31.844 32.500 -1.143 0.000 0.717 532 K HN 0.196 nan 8.250 nan 0.000 0.438 533 Y N -0.339 119.960 120.300 -0.001 0.000 2.481 533 Y HA 0.171 4.724 4.550 0.005 0.000 0.247 533 Y C 1.181 177.083 175.900 0.003 0.000 1.151 533 Y CA -0.328 57.773 58.100 0.001 0.000 1.238 533 Y CB 0.122 38.582 38.460 -0.000 0.000 1.179 533 Y HN -0.005 nan 8.280 nan 0.000 0.524 534 N N 0.678 119.442 118.700 0.105 0.000 2.457 534 N HA -0.045 4.698 4.740 0.005 0.000 0.180 534 N C 0.565 176.111 175.510 0.060 0.000 1.050 534 N CA 0.437 53.532 53.050 0.075 0.000 0.906 534 N CB 0.053 38.565 38.487 0.042 0.000 0.968 534 N HN -0.010 nan 8.380 nan 0.000 0.445 535 R N 1.151 121.686 120.500 0.059 0.000 2.246 535 R HA 0.242 4.585 4.340 0.005 0.000 0.332 535 R C 0.206 176.546 176.300 0.066 0.000 0.974 535 R CA 0.073 56.205 56.100 0.054 0.000 0.837 535 R CB 0.301 30.630 30.300 0.047 0.000 1.145 535 R HN 0.066 nan 8.270 nan 0.000 0.467 536 Q N 1.568 121.401 119.800 0.055 0.000 2.356 536 Q HA 0.126 4.469 4.340 0.005 0.000 0.205 536 Q C -0.338 175.684 176.000 0.038 0.000 0.901 536 Q CA 0.374 56.209 55.803 0.053 0.000 0.938 536 Q CB 0.678 29.439 28.738 0.038 0.000 1.081 536 Q HN 0.608 nan 8.270 nan 0.000 0.517 537 E N -0.262 119.958 120.200 0.033 0.000 2.292 537 E HA 0.082 4.435 4.350 0.005 0.000 0.258 537 E C 0.908 177.529 176.600 0.034 0.000 1.115 537 E CA 0.300 56.712 56.400 0.020 0.000 0.929 537 E CB 1.012 30.718 29.700 0.010 0.000 1.161 537 E HN 0.102 nan 8.360 nan 0.000 0.453 538 T N -2.293 112.276 114.554 0.025 0.000 2.990 538 T HA 0.150 4.503 4.350 0.005 0.000 0.237 538 T C 1.489 176.225 174.700 0.060 0.000 1.009 538 T CA 0.357 62.479 62.100 0.037 0.000 1.195 538 T CB -0.012 68.869 68.868 0.021 0.000 0.885 538 T HN 0.402 nan 8.240 nan 0.000 0.424 539 I N 0.619 121.219 120.570 0.051 0.000 4.398 539 I HA 0.448 4.621 4.170 0.005 0.000 0.310 539 I C 1.019 177.219 176.117 0.139 0.000 1.232 539 I CA -0.333 61.028 61.300 0.101 0.000 1.312 539 I CB 0.355 38.387 38.000 0.053 0.000 1.347 539 I HN 0.274 nan 8.210 nan 0.000 0.454 540 A N 3.339 126.184 122.820 0.040 0.000 2.279 540 A HA 0.661 4.984 4.320 0.005 0.000 0.306 540 A C -0.467 177.183 177.584 0.110 0.000 1.300 540 A CA -0.140 51.955 52.037 0.096 0.000 0.925 540 A CB -0.098 18.737 19.000 -0.275 0.000 1.152 540 A HN 0.241 nan 8.150 nan 0.000 0.544 541 L N 2.972 124.328 121.223 0.223 0.000 2.295 541 L HA 0.414 4.757 4.340 0.005 0.000 0.285 541 L C 0.614 177.558 176.870 0.123 0.000 1.035 541 L CA -0.563 54.358 54.840 0.136 0.000 0.806 541 L CB 1.924 44.064 42.059 0.136 0.000 1.214 541 L HN 0.795 nan 8.230 nan 0.000 0.426 542 S N 0.872 116.614 115.700 0.070 0.000 2.537 542 S HA 0.365 4.838 4.470 0.005 0.000 0.275 542 S C 0.290 174.931 174.600 0.069 0.000 1.272 542 S CA -0.883 57.358 58.200 0.069 0.000 1.050 542 S CB 1.383 64.604 63.200 0.035 0.000 0.961 542 S HN 0.693 nan 8.310 nan 0.000 0.496 543 S N 0.000 115.747 115.700 0.079 0.000 2.498 543 S HA 0.000 4.473 4.470 0.005 0.000 0.327 543 S CA 0.000 58.237 58.200 0.062 0.000 1.107 543 S CB 0.000 63.239 63.200 0.064 0.000 0.593 543 S HN 0.000 nan 8.310 nan 0.000 0.517