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 3dbr_1_D DATA FIRST_RESID 11 DATA SEQUENCE LDWEGRWNHV KKFLERSGPF THPDFEPSTE SLQFLLDTCK VLVIGAGGLG DATA SEQUENCE CELLKNLALS GFRQIHVIDM DTIDVSNLNR QFLFRPKDIG RPKAEVAAEF DATA SEQUENCE LNDRVPNCNV VPHFNKIQDF NDTFYRQFHI IVCGLDSIIA RRWINGMLIS DATA SEQUENCE LLNYEDGVLD PSSIVPLIDG GTEGFKGNAQ VILPGMTACI ECTLELYPPQ DATA SEQUENCE VNFPMATIAS MPRLPEHCIE YVRMLQWPKE QPFGEGVPLD GDDPEHIQWI DATA SEQUENCE FQKSLERASQ YNIRGVTYRL TQGVVKRIIP AVASTNAVIA AVCATEVFKI DATA SEQUENCE ATSAYIPLNN YLVFNDVDGL YTYTFEAERK ENCPACSQLP QNIQFSPSAK DATA SEQUENCE LQEVLDYLTN SASLQMKSPA ITATLEGKNR TLYLQSVTSI EERTRPNLSK DATA SEQUENCE TLKELGLVDG QELAVADVTT PQTVLFKLHF T 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.929 176.870 0.098 0.000 1.165 11 L CA 0.000 54.893 54.840 0.088 0.000 0.813 11 L CB 0.000 42.096 42.059 0.062 0.000 0.961 12 D N 1.045 121.513 120.400 0.114 0.000 3.361 12 D HA 0.184 4.824 4.640 -0.000 0.000 0.246 12 D C -0.552 175.783 176.300 0.058 0.000 1.395 12 D CA -0.181 53.866 54.000 0.080 0.000 0.839 12 D CB 0.223 41.075 40.800 0.087 0.000 1.469 12 D HN 0.305 nan 8.370 nan 0.000 0.636 13 W N 2.151 123.492 121.300 0.067 0.000 2.790 13 W HA -0.042 4.618 4.660 -0.000 0.000 0.314 13 W C 0.228 176.757 176.519 0.015 0.000 0.964 13 W CA 0.007 57.367 57.345 0.025 0.000 1.207 13 W CB 0.178 29.634 29.460 -0.008 0.000 1.120 13 W HN 0.097 nan 8.180 nan 0.000 0.541 14 E N 3.262 123.692 120.200 0.382 0.000 2.480 14 E HA 0.222 4.572 4.350 -0.000 0.000 0.258 14 E C 1.155 177.931 176.600 0.293 0.000 0.984 14 E CA 1.994 58.542 56.400 0.246 0.000 0.930 14 E CB 0.529 30.331 29.700 0.170 0.000 0.936 14 E HN 0.906 nan 8.360 nan 0.000 0.466 15 G N 5.061 113.933 108.800 0.120 0.000 2.956 15 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.210 15 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.210 15 G C 1.290 176.127 174.900 -0.105 0.000 1.316 15 G CA 0.491 45.631 45.100 0.066 0.000 0.819 15 G HN 0.594 nan 8.290 nan 0.000 0.544 16 R N 0.145 120.492 120.500 -0.255 0.000 2.346 16 R HA -0.261 4.078 4.340 -0.000 0.000 0.244 16 R C 1.493 177.229 176.300 -0.941 0.000 1.074 16 R CA 2.995 58.578 56.100 -0.863 0.000 0.910 16 R CB -0.586 28.544 30.300 -1.948 0.000 0.970 16 R HN 0.651 nan 8.270 nan 0.000 0.432 17 W N 0.028 121.195 121.300 -0.221 0.000 2.987 17 W HA 0.299 4.959 4.660 -0.000 0.000 0.441 17 W C 1.092 177.591 176.519 -0.034 0.000 0.853 17 W CA -0.910 56.365 57.345 -0.116 0.000 2.222 17 W CB 0.175 29.579 29.460 -0.093 0.000 1.139 17 W HN 0.136 nan 8.180 nan 0.000 0.819 18 N N 0.016 118.724 118.700 0.013 0.000 2.216 18 N HA -0.139 4.600 4.740 -0.000 0.000 0.183 18 N C 1.242 176.898 175.510 0.242 0.000 1.017 18 N CA 1.275 54.382 53.050 0.095 0.000 0.861 18 N CB -0.139 38.374 38.487 0.044 0.000 0.986 18 N HN 0.514 nan 8.380 nan 0.000 0.428 19 H N -0.783 118.379 119.070 0.154 0.000 2.495 19 H HA 0.044 4.599 4.556 -0.000 0.000 0.287 19 H C 1.693 177.229 175.328 0.347 0.000 1.033 19 H CA 0.482 56.651 56.048 0.202 0.000 1.307 19 H CB 0.676 30.526 29.762 0.147 0.000 1.401 19 H HN 0.003 nan 8.280 nan 0.000 0.555 20 V N 0.338 120.533 119.914 0.467 0.000 2.795 20 V HA -0.095 4.024 4.120 -0.000 0.000 0.243 20 V C 2.112 178.494 176.094 0.481 0.000 1.069 20 V CA 0.762 63.371 62.300 0.514 0.000 1.089 20 V CB -0.045 32.083 31.823 0.508 0.000 0.756 20 V HN 0.178 nan 8.190 nan 0.000 0.471 21 K N 0.594 121.202 120.400 0.348 0.000 2.218 21 K HA -0.214 4.106 4.320 -0.000 0.000 0.205 21 K C 2.061 178.783 176.600 0.203 0.000 1.046 21 K CA 1.398 57.831 56.287 0.244 0.000 0.933 21 K CB -0.031 32.583 32.500 0.189 0.000 0.728 21 K HN 0.413 nan 8.250 nan 0.000 0.454 22 K N -0.823 119.683 120.400 0.177 0.000 2.155 22 K HA -0.077 4.242 4.320 -0.000 0.000 0.203 22 K C 1.550 178.101 176.600 -0.081 0.000 1.052 22 K CA 1.067 57.342 56.287 -0.020 0.000 0.948 22 K CB 0.030 32.410 32.500 -0.200 0.000 0.728 22 K HN 0.129 nan 8.250 nan 0.000 0.448 23 F N 0.505 120.578 119.950 0.204 0.000 2.743 23 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 23 F C 1.691 177.677 175.800 0.309 0.000 1.131 23 F CA 0.452 58.584 58.000 0.221 0.000 1.426 23 F CB 0.053 39.214 39.000 0.268 0.000 1.116 23 F HN -0.112 nan 8.300 nan 0.000 0.583 24 L N -1.141 120.374 121.223 0.487 0.000 2.425 24 L HA 0.109 4.449 4.340 -0.000 0.000 0.215 24 L C 1.879 178.947 176.870 0.330 0.000 1.065 24 L CA 0.512 55.637 54.840 0.475 0.000 0.842 24 L CB -0.252 41.985 42.059 0.297 0.000 1.033 24 L HN 0.038 nan 8.230 nan 0.000 0.474 25 E N 0.798 121.128 120.200 0.218 0.000 2.086 25 E HA 0.022 4.372 4.350 -0.000 0.000 0.190 25 E C 0.358 177.029 176.600 0.119 0.000 0.975 25 E CA 0.332 56.799 56.400 0.111 0.000 0.813 25 E CB 0.300 30.045 29.700 0.075 0.000 0.768 25 E HN 0.384 nan 8.360 nan 0.000 0.457 26 R N 1.465 122.054 120.500 0.149 0.000 2.349 26 R HA 0.223 4.562 4.340 -0.000 0.000 0.299 26 R C 0.510 176.953 176.300 0.239 0.000 1.027 26 R CA -0.296 55.877 56.100 0.121 0.000 0.958 26 R CB 1.458 31.777 30.300 0.032 0.000 1.047 26 R HN 0.049 nan 8.270 nan 0.000 0.468 27 S N 1.018 116.846 115.700 0.213 0.000 2.393 27 S HA 0.770 5.239 4.470 -0.000 0.000 0.255 27 S C 0.602 175.234 174.600 0.053 0.000 1.210 27 S CA 0.000 58.367 58.200 0.278 0.000 1.013 27 S CB 0.862 64.181 63.200 0.199 0.000 1.055 27 S HN 0.817 nan 8.310 nan 0.000 0.483 28 G N -0.980 107.818 108.800 -0.002 0.000 2.320 28 G HA2 0.409 4.369 3.960 -0.000 0.000 0.297 28 G HA3 0.409 4.369 3.960 -0.000 0.000 0.297 28 G C -2.729 172.105 174.900 -0.110 0.000 1.344 28 G CA -0.205 44.855 45.100 -0.067 0.000 0.851 28 G HN 0.544 nan 8.290 nan 0.000 0.567 29 P HA 0.101 nan 4.420 nan 0.000 0.209 29 P C 1.601 178.745 177.300 -0.260 0.000 1.201 29 P CA 0.977 63.898 63.100 -0.298 0.000 0.911 29 P CB 0.008 31.381 31.700 -0.545 0.000 0.758 30 F N 0.486 120.432 119.950 -0.008 0.000 2.549 30 F HA -0.079 4.448 4.527 -0.000 0.000 0.295 30 F C 1.710 177.458 175.800 -0.086 0.000 1.124 30 F CA 0.361 58.385 58.000 0.040 0.000 1.482 30 F CB -1.257 37.871 39.000 0.213 0.000 1.108 30 F HN -0.010 nan 8.300 nan 0.000 0.602 31 T N -0.638 113.827 114.554 -0.147 0.000 2.906 31 T HA -0.109 4.241 4.350 -0.000 0.000 0.320 31 T C 0.005 174.670 174.700 -0.058 0.000 1.088 31 T CA -0.318 61.583 62.100 -0.332 0.000 1.120 31 T CB 0.219 68.884 68.868 -0.337 0.000 1.000 31 T HN 0.309 nan 8.240 nan 0.000 0.550 32 H N 4.011 123.020 119.070 -0.101 0.000 2.690 32 H HA 0.272 4.828 4.556 -0.000 0.000 0.365 32 H C -1.692 173.687 175.328 0.085 0.000 1.142 32 H CA -1.115 54.955 56.048 0.038 0.000 1.417 32 H CB 0.775 30.578 29.762 0.069 0.000 1.446 32 H HN 0.394 nan 8.280 nan 0.000 0.599 33 P HA -0.191 nan 4.420 nan 0.000 0.210 33 P C 0.746 177.979 177.300 -0.111 0.000 1.185 33 P CA 1.717 64.617 63.100 -0.333 0.000 0.924 33 P CB 0.167 31.613 31.700 -0.423 0.000 0.786 34 D N -1.680 118.680 120.400 -0.066 0.000 2.420 34 D HA -0.087 4.553 4.640 -0.000 0.000 0.233 34 D C 0.608 177.027 176.300 0.199 0.000 1.017 34 D CA 0.355 54.432 54.000 0.127 0.000 0.951 34 D CB -0.660 40.267 40.800 0.212 0.000 0.877 34 D HN 0.098 nan 8.370 nan 0.000 0.528 35 F N 1.643 121.641 119.950 0.079 0.000 2.539 35 F HA 0.060 4.587 4.527 -0.000 0.000 0.340 35 F C 0.652 176.452 175.800 -0.000 0.000 1.185 35 F CA 0.113 58.143 58.000 0.050 0.000 1.333 35 F CB 0.632 39.654 39.000 0.037 0.000 1.152 35 F HN -0.255 nan 8.300 nan 0.000 0.602 36 E N 4.675 124.295 120.200 -0.968 0.000 2.466 36 E HA 0.167 4.517 4.350 -0.000 0.000 0.308 36 E C -2.660 173.328 176.600 -1.020 0.000 0.933 36 E CA -1.623 54.348 56.400 -0.714 0.000 0.800 36 E CB 1.468 30.939 29.700 -0.383 0.000 1.434 36 E HN 0.307 nan 8.360 nan 0.000 0.389 37 P HA 0.066 nan 4.420 nan 0.000 0.267 37 P C -0.349 176.786 177.300 -0.275 0.000 1.205 37 P CA 0.161 62.990 63.100 -0.451 0.000 0.765 37 P CB 0.961 32.596 31.700 -0.109 0.000 0.828 38 S N 1.187 116.773 115.700 -0.190 0.000 2.548 38 S HA 0.204 4.674 4.470 -0.000 0.000 0.278 38 S C 0.980 175.537 174.600 -0.072 0.000 1.150 38 S CA -0.270 57.848 58.200 -0.136 0.000 0.907 38 S CB 1.128 64.216 63.200 -0.185 0.000 1.108 38 S HN 0.490 nan 8.310 nan 0.000 0.459 39 T N 2.108 116.631 114.554 -0.052 0.000 2.803 39 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 39 T C 1.407 176.090 174.700 -0.028 0.000 1.052 39 T CA 2.382 64.468 62.100 -0.023 0.000 1.136 39 T CB -0.487 68.369 68.868 -0.020 0.000 0.864 39 T HN 0.750 nan 8.240 nan 0.000 0.467 40 E N 0.160 120.327 120.200 -0.056 0.000 2.007 40 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 40 E C 2.278 178.856 176.600 -0.038 0.000 0.999 40 E CA 1.494 57.861 56.400 -0.054 0.000 0.811 40 E CB -0.487 29.148 29.700 -0.109 0.000 0.762 40 E HN 0.496 nan 8.360 nan 0.000 0.450 41 S N 0.901 116.556 115.700 -0.074 0.000 2.565 41 S HA -0.312 4.157 4.470 -0.000 0.000 0.310 41 S C 1.812 176.398 174.600 -0.023 0.000 1.244 41 S CA 1.953 60.124 58.200 -0.048 0.000 1.170 41 S CB -0.953 62.211 63.200 -0.061 0.000 1.179 41 S HN 0.446 nan 8.310 nan 0.000 0.441 42 L N 1.506 122.706 121.223 -0.038 0.000 2.043 42 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 42 L C 2.334 179.103 176.870 -0.167 0.000 1.075 42 L CA 2.287 57.065 54.840 -0.104 0.000 0.752 42 L CB -0.922 41.095 42.059 -0.070 0.000 0.891 42 L HN 0.263 nan 8.230 nan 0.000 0.432 43 Q N -1.130 118.616 119.800 -0.089 0.000 2.079 43 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 43 Q C 2.033 178.002 176.000 -0.051 0.000 0.974 43 Q CA 1.784 57.535 55.803 -0.087 0.000 0.840 43 Q CB -0.632 28.094 28.738 -0.020 0.000 0.898 43 Q HN 0.529 nan 8.270 nan 0.000 0.430 44 F N -0.493 119.366 119.950 -0.151 0.000 2.494 44 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 44 F C 1.556 177.253 175.800 -0.170 0.000 1.106 44 F CA 0.573 58.490 58.000 -0.138 0.000 1.452 44 F CB 0.112 39.037 39.000 -0.125 0.000 1.085 44 F HN 0.203 nan 8.300 nan 0.000 0.569 45 L N -0.874 120.263 121.223 -0.142 0.000 2.200 45 L HA 0.070 4.410 4.340 -0.000 0.000 0.200 45 L C 1.866 178.539 176.870 -0.328 0.000 1.072 45 L CA 1.333 55.999 54.840 -0.289 0.000 0.787 45 L CB -0.496 41.311 42.059 -0.420 0.000 0.957 45 L HN -0.006 nan 8.230 nan 0.000 0.459 46 L N -0.243 120.770 121.223 -0.349 0.000 2.456 46 L HA -0.120 4.219 4.340 -0.000 0.000 0.224 46 L C 1.427 178.173 176.870 -0.206 0.000 1.148 46 L CA 0.658 55.302 54.840 -0.327 0.000 0.825 46 L CB -0.486 41.333 42.059 -0.401 0.000 0.937 46 L HN 0.366 nan 8.230 nan 0.000 0.450 47 D N -1.637 118.636 120.400 -0.212 0.000 3.105 47 D HA -0.012 4.627 4.640 -0.000 0.000 0.291 47 D C 1.499 177.679 176.300 -0.201 0.000 1.218 47 D CA 1.358 55.245 54.000 -0.189 0.000 1.029 47 D CB 0.004 40.684 40.800 -0.200 0.000 1.207 47 D HN 0.123 nan 8.370 nan 0.000 0.437 48 T N -0.766 113.587 114.554 -0.335 0.000 3.285 48 T HA 0.364 4.713 4.350 -0.000 0.000 0.232 48 T C -0.165 174.476 174.700 -0.098 0.000 0.973 48 T CA -0.653 61.278 62.100 -0.282 0.000 1.023 48 T CB -1.051 67.497 68.868 -0.535 0.000 1.158 48 T HN 0.055 nan 8.240 nan 0.000 0.590 49 C N 2.839 122.155 119.300 0.027 0.000 2.547 49 C HA 0.505 4.965 4.460 -0.000 0.000 0.327 49 C C -0.338 174.841 174.990 0.314 0.000 1.076 49 C CA -0.913 58.252 59.018 0.246 0.000 1.390 49 C CB -0.033 27.789 27.740 0.138 0.000 1.918 49 C HN 0.722 nan 8.230 nan 0.000 0.438 50 K N 4.512 125.097 120.400 0.310 0.000 2.248 50 K HA 0.622 4.942 4.320 -0.000 0.000 0.281 50 K C -0.708 176.121 176.600 0.381 0.000 1.054 50 K CA -0.339 56.087 56.287 0.233 0.000 0.903 50 K CB 1.665 34.122 32.500 -0.071 0.000 1.077 50 K HN 0.438 nan 8.250 nan 0.000 0.474 51 V N 4.376 124.507 119.914 0.361 0.000 2.604 51 V HA 0.315 4.435 4.120 -0.000 0.000 0.305 51 V C -0.964 175.121 176.094 -0.015 0.000 1.043 51 V CA -1.041 61.343 62.300 0.141 0.000 0.888 51 V CB 1.845 33.630 31.823 -0.063 0.000 0.995 51 V HN 0.556 nan 8.190 nan 0.000 0.429 52 L N 6.126 127.109 121.223 -0.399 0.000 2.307 52 L HA 0.718 5.058 4.340 -0.000 0.000 0.284 52 L C -0.628 176.073 176.870 -0.282 0.000 1.023 52 L CA 0.048 54.517 54.840 -0.618 0.000 0.810 52 L CB 1.788 42.973 42.059 -1.456 0.000 1.231 52 L HN 0.419 nan 8.230 nan 0.000 0.423 53 V N 6.862 126.693 119.914 -0.138 0.000 2.370 53 V HA 0.436 4.555 4.120 -0.000 0.000 0.283 53 V C 0.088 176.171 176.094 -0.019 0.000 1.023 53 V CA -0.358 61.899 62.300 -0.073 0.000 0.857 53 V CB 1.457 33.257 31.823 -0.039 0.000 0.985 53 V HN 0.602 nan 8.190 nan 0.000 0.443 54 I N 4.944 125.508 120.570 -0.010 0.000 2.328 54 I HA 0.702 4.872 4.170 -0.000 0.000 0.287 54 I C 0.654 176.796 176.117 0.041 0.000 1.012 54 I CA -0.128 61.198 61.300 0.042 0.000 1.195 54 I CB 1.230 39.261 38.000 0.052 0.000 1.350 54 I HN 0.845 nan 8.210 nan 0.000 0.464 55 G N 4.761 113.599 108.800 0.063 0.000 3.067 55 G HA2 0.186 4.145 3.960 -0.000 0.000 0.686 55 G HA3 0.186 4.145 3.960 -0.000 0.000 0.686 55 G C -0.755 174.171 174.900 0.042 0.000 1.119 55 G CA -0.390 44.742 45.100 0.053 0.000 0.790 55 G HN 0.993 nan 8.290 nan 0.000 0.605 56 A N 1.287 124.145 122.820 0.063 0.000 3.082 56 A HA 0.886 5.206 4.320 -0.000 0.000 0.328 56 A C 0.639 178.259 177.584 0.059 0.000 1.089 56 A CA 0.547 52.617 52.037 0.055 0.000 0.802 56 A CB 0.549 19.622 19.000 0.122 0.000 1.138 56 A HN 2.470 nan 8.150 nan 0.000 0.474 57 G N -0.307 108.467 108.800 -0.043 0.000 4.379 57 G HA2 0.575 4.534 3.960 -0.000 0.000 0.243 57 G HA3 0.575 4.534 3.960 -0.000 0.000 0.243 57 G C 0.621 175.431 174.900 -0.149 0.000 1.009 57 G CA 0.756 45.808 45.100 -0.079 0.000 0.646 57 G HN 1.926 nan 8.290 nan 0.000 0.475 58 G N 0.447 109.097 108.800 -0.249 0.000 3.597 58 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.202 58 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.202 58 G C 1.266 176.092 174.900 -0.124 0.000 1.702 58 G CA 0.346 45.334 45.100 -0.186 0.000 1.354 58 G HN 0.875 nan 8.290 nan 0.000 0.609 59 L N 2.043 123.215 121.223 -0.086 0.000 2.201 59 L HA 0.269 4.609 4.340 -0.000 0.000 0.212 59 L C 2.806 179.630 176.870 -0.076 0.000 1.105 59 L CA 2.289 57.090 54.840 -0.065 0.000 0.775 59 L CB -0.461 41.568 42.059 -0.050 0.000 0.913 59 L HN 0.577 nan 8.230 nan 0.000 0.440 60 G N -1.082 107.662 108.800 -0.093 0.000 2.424 60 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.214 60 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.214 60 G C 1.561 176.376 174.900 -0.143 0.000 1.202 60 G CA 0.732 45.778 45.100 -0.091 0.000 0.793 60 G HN 0.458 nan 8.290 nan 0.000 0.534 61 C N 0.370 119.500 119.300 -0.283 0.000 2.393 61 C HA -0.039 4.421 4.460 -0.000 0.000 0.276 61 C C 2.694 177.526 174.990 -0.263 0.000 1.215 61 C CA 1.175 59.906 59.018 -0.478 0.000 1.743 61 C CB -0.873 26.229 27.740 -1.063 0.000 2.044 61 C HN 0.572 nan 8.230 nan 0.000 0.464 62 E N 0.755 120.887 120.200 -0.113 0.000 2.070 62 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 62 E C 2.014 178.651 176.600 0.061 0.000 1.004 62 E CA 1.177 57.663 56.400 0.143 0.000 0.805 62 E CB -0.474 29.284 29.700 0.096 0.000 0.744 62 E HN 0.592 nan 8.360 nan 0.000 0.451 63 L N -0.280 120.935 121.223 -0.014 0.000 1.989 63 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 63 L C 2.423 179.290 176.870 -0.005 0.000 1.071 63 L CA 1.142 55.966 54.840 -0.026 0.000 0.749 63 L CB -0.370 41.656 42.059 -0.055 0.000 0.890 63 L HN 0.256 nan 8.230 nan 0.000 0.431 64 L N -0.197 121.022 121.223 -0.007 0.000 1.971 64 L HA -0.337 4.002 4.340 -0.000 0.000 0.215 64 L C 2.696 179.616 176.870 0.084 0.000 1.072 64 L CA 1.873 56.727 54.840 0.023 0.000 0.758 64 L CB -0.698 41.364 42.059 0.004 0.000 0.889 64 L HN 0.305 nan 8.230 nan 0.000 0.433 65 K N 0.120 120.595 120.400 0.125 0.000 2.020 65 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 65 K C 1.933 178.615 176.600 0.136 0.000 1.050 65 K CA 2.033 58.422 56.287 0.169 0.000 0.929 65 K CB -0.085 32.559 32.500 0.240 0.000 0.714 65 K HN 0.295 nan 8.250 nan 0.000 0.443 66 N N 1.209 119.970 118.700 0.101 0.000 2.004 66 N HA -0.193 4.547 4.740 -0.000 0.000 0.196 66 N C 2.004 177.602 175.510 0.147 0.000 1.064 66 N CA 1.609 54.713 53.050 0.091 0.000 0.855 66 N CB -0.809 37.700 38.487 0.037 0.000 1.056 66 N HN 0.182 nan 8.380 nan 0.000 0.423 67 L N 0.880 122.157 121.223 0.090 0.000 2.171 67 L HA -0.277 4.063 4.340 -0.000 0.000 0.216 67 L C 2.332 179.400 176.870 0.330 0.000 1.084 67 L CA 1.449 56.348 54.840 0.098 0.000 0.771 67 L CB -0.564 41.402 42.059 -0.155 0.000 0.890 67 L HN 0.210 nan 8.230 nan 0.000 0.437 68 A N -0.058 122.913 122.820 0.252 0.000 1.841 68 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 68 A C 2.015 179.838 177.584 0.398 0.000 1.195 68 A CA 1.191 53.405 52.037 0.296 0.000 0.611 68 A CB -0.655 18.480 19.000 0.225 0.000 0.835 68 A HN 0.380 nan 8.150 nan 0.000 0.443 69 L N 0.271 121.690 121.223 0.327 0.000 2.650 69 L HA 0.039 4.379 4.340 -0.000 0.000 0.235 69 L C 1.217 178.356 176.870 0.449 0.000 1.149 69 L CA 0.267 55.300 54.840 0.321 0.000 0.887 69 L CB 0.045 42.196 42.059 0.154 0.000 1.021 69 L HN 0.231 nan 8.230 nan 0.000 0.441 70 S N -0.513 115.490 115.700 0.504 0.000 2.593 70 S HA 0.311 4.781 4.470 -0.000 0.000 0.236 70 S C 1.209 176.072 174.600 0.438 0.000 0.991 70 S CA 0.506 59.010 58.200 0.506 0.000 0.963 70 S CB 0.863 64.380 63.200 0.529 0.000 0.865 70 S HN 0.577 nan 8.310 nan 0.000 0.488 71 G N 1.123 110.075 108.800 0.253 0.000 2.144 71 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 71 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 71 G C -0.179 174.376 174.900 -0.576 0.000 0.988 71 G CA -0.597 44.206 45.100 -0.494 0.000 0.659 71 G HN 0.400 nan 8.290 nan 0.000 0.522 72 F N -0.262 119.650 119.950 -0.063 0.000 2.425 72 F HA 0.793 5.320 4.527 -0.000 0.000 0.331 72 F C 1.484 177.261 175.800 -0.037 0.000 1.085 72 F CA -0.904 57.069 58.000 -0.045 0.000 1.028 72 F CB 1.443 40.458 39.000 0.026 0.000 1.177 72 F HN -0.139 nan 8.300 nan 0.000 0.487 73 R N -0.301 120.270 120.500 0.118 0.000 2.562 73 R HA 0.103 4.442 4.340 -0.000 0.000 0.191 73 R C -0.137 176.202 176.300 0.066 0.000 0.835 73 R CA 0.138 56.276 56.100 0.063 0.000 1.036 73 R CB 0.184 30.470 30.300 -0.023 0.000 1.437 73 R HN 0.481 nan 8.270 nan 0.000 0.654 74 Q N 1.970 121.819 119.800 0.083 0.000 3.026 74 Q HA 0.313 4.653 4.340 -0.000 0.000 0.258 74 Q C -0.102 175.965 176.000 0.111 0.000 1.388 74 Q CA 0.357 56.200 55.803 0.067 0.000 1.000 74 Q CB -0.267 28.525 28.738 0.090 0.000 1.634 74 Q HN 0.300 nan 8.270 nan 0.000 0.571 75 I N 1.360 121.947 120.570 0.028 0.000 2.437 75 I HA 0.282 4.451 4.170 -0.000 0.000 0.298 75 I C 0.363 176.427 176.117 -0.089 0.000 0.984 75 I CA -0.661 60.663 61.300 0.040 0.000 1.214 75 I CB 1.133 39.159 38.000 0.044 0.000 1.365 75 I HN 0.268 nan 8.210 nan 0.000 0.469 76 H N 4.586 123.725 119.070 0.115 0.000 2.572 76 H HA 0.596 5.152 4.556 -0.000 0.000 0.359 76 H C -1.178 174.191 175.328 0.068 0.000 1.134 76 H CA -0.586 55.550 56.048 0.146 0.000 1.187 76 H CB 2.529 32.501 29.762 0.350 0.000 1.597 76 H HN 0.236 nan 8.280 nan 0.000 0.524 77 V N 3.990 124.029 119.914 0.208 0.000 2.577 77 V HA 0.429 4.549 4.120 -0.000 0.000 0.303 77 V C 0.146 176.389 176.094 0.249 0.000 1.042 77 V CA -0.738 61.657 62.300 0.157 0.000 0.872 77 V CB 1.939 33.817 31.823 0.091 0.000 0.998 77 V HN 0.545 nan 8.190 nan 0.000 0.423 78 I N 3.558 124.269 120.570 0.234 0.000 2.441 78 I HA 0.680 4.850 4.170 -0.000 0.000 0.295 78 I C -0.848 175.394 176.117 0.209 0.000 0.994 78 I CA -0.049 61.422 61.300 0.284 0.000 1.144 78 I CB 1.900 40.069 38.000 0.281 0.000 1.314 78 I HN 0.722 nan 8.210 nan 0.000 0.445 79 D N 6.162 126.698 120.400 0.227 0.000 2.711 79 D HA 0.171 4.811 4.640 -0.000 0.000 0.204 79 D C -0.103 176.343 176.300 0.242 0.000 1.257 79 D CA -0.383 53.729 54.000 0.188 0.000 0.808 79 D CB 1.510 42.412 40.800 0.170 0.000 1.780 79 D HN 0.598 nan 8.370 nan 0.000 0.537 80 M N 0.072 119.754 119.600 0.136 0.000 2.510 80 M HA 0.277 4.757 4.480 -0.000 0.000 0.256 80 M C 0.238 176.680 176.300 0.238 0.000 1.132 80 M CA 0.130 55.462 55.300 0.054 0.000 1.105 80 M CB 0.232 32.766 32.600 -0.110 0.000 1.375 80 M HN -0.045 nan 8.290 nan 0.000 0.477 81 D N 2.183 122.697 120.400 0.191 0.000 2.371 81 D HA 0.232 4.872 4.640 -0.000 0.000 0.242 81 D C -0.354 176.034 176.300 0.147 0.000 1.218 81 D CA 0.450 54.541 54.000 0.152 0.000 0.945 81 D CB 1.143 41.999 40.800 0.092 0.000 1.137 81 D HN 0.021 nan 8.370 nan 0.000 0.464 82 T N 0.421 115.012 114.554 0.061 0.000 2.887 82 T HA 0.396 4.746 4.350 -0.000 0.000 0.288 82 T C 0.398 175.050 174.700 -0.080 0.000 1.021 82 T CA -0.640 61.432 62.100 -0.046 0.000 1.000 82 T CB 0.921 69.779 68.868 -0.018 0.000 1.034 82 T HN 0.139 nan 8.240 nan 0.000 0.467 83 I N 3.410 123.862 120.570 -0.196 0.000 2.752 83 I HA 0.054 4.224 4.170 -0.000 0.000 0.286 83 I C 0.531 176.620 176.117 -0.046 0.000 1.180 83 I CA 0.306 61.508 61.300 -0.163 0.000 1.404 83 I CB 0.058 37.867 38.000 -0.318 0.000 1.389 83 I HN 0.592 nan 8.210 nan 0.000 0.549 84 D N 4.699 125.111 120.400 0.020 0.000 2.494 84 D HA 0.217 4.857 4.640 -0.000 0.000 0.259 84 D C 0.483 176.808 176.300 0.042 0.000 1.109 84 D CA -0.605 53.408 54.000 0.022 0.000 1.040 84 D CB 2.072 42.885 40.800 0.023 0.000 1.175 84 D HN 0.155 nan 8.370 nan 0.000 0.584 85 V N 0.692 120.625 119.914 0.032 0.000 2.951 85 V HA -0.039 4.081 4.120 -0.000 0.000 0.255 85 V C 1.580 177.697 176.094 0.038 0.000 1.088 85 V CA 2.032 64.355 62.300 0.038 0.000 1.109 85 V CB -0.415 31.425 31.823 0.029 0.000 0.724 85 V HN 0.640 nan 8.190 nan 0.000 0.471 86 S N -0.363 115.356 115.700 0.032 0.000 2.603 86 S HA 0.007 4.477 4.470 -0.000 0.000 0.220 86 S C 1.295 175.909 174.600 0.024 0.000 0.967 86 S CA 0.789 59.003 58.200 0.023 0.000 0.920 86 S CB -0.512 62.695 63.200 0.013 0.000 0.773 86 S HN 0.659 nan 8.310 nan 0.000 0.529 87 N N 1.895 120.622 118.700 0.046 0.000 2.368 87 N HA 0.269 5.009 4.740 -0.000 0.000 0.176 87 N C 1.429 176.953 175.510 0.023 0.000 1.021 87 N CA 0.622 53.703 53.050 0.052 0.000 0.888 87 N CB -0.504 38.070 38.487 0.145 0.000 0.995 87 N HN 0.350 nan 8.380 nan 0.000 0.437 88 L N 1.487 122.739 121.223 0.047 0.000 2.191 88 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 88 L C 1.798 178.678 176.870 0.016 0.000 1.103 88 L CA 0.855 55.717 54.840 0.036 0.000 0.769 88 L CB -0.652 41.444 42.059 0.062 0.000 0.908 88 L HN 0.367 nan 8.230 nan 0.000 0.438 89 N N 1.506 120.213 118.700 0.012 0.000 2.520 89 N HA -0.206 4.533 4.740 -0.000 0.000 0.185 89 N C 1.585 177.099 175.510 0.006 0.000 1.068 89 N CA 1.355 54.412 53.050 0.011 0.000 0.911 89 N CB 0.055 38.546 38.487 0.006 0.000 0.961 89 N HN 0.589 nan 8.380 nan 0.000 0.446 90 R N -1.006 119.485 120.500 -0.015 0.000 2.663 90 R HA 0.158 4.498 4.340 -0.000 0.000 0.199 90 R C 0.275 176.541 176.300 -0.058 0.000 0.870 90 R CA -0.264 55.827 56.100 -0.015 0.000 1.040 90 R CB -0.302 29.978 30.300 -0.032 0.000 1.524 90 R HN 0.011 nan 8.270 nan 0.000 0.643 91 Q N 2.652 122.333 119.800 -0.198 0.000 3.254 91 Q HA 0.099 4.439 4.340 -0.000 0.000 0.315 91 Q C 0.034 175.632 176.000 -0.670 0.000 1.405 91 Q CA -0.290 55.198 55.803 -0.525 0.000 0.966 91 Q CB -0.207 28.143 28.738 -0.646 0.000 1.706 91 Q HN 0.417 nan 8.270 nan 0.000 0.525 92 F N -1.651 118.094 119.950 -0.341 0.000 2.229 92 F HA -0.293 4.234 4.527 -0.000 0.000 0.300 92 F C 0.843 176.383 175.800 -0.434 0.000 1.043 92 F CA 1.170 58.992 58.000 -0.297 0.000 1.339 92 F CB -0.491 38.374 39.000 -0.224 0.000 1.076 92 F HN 0.271 nan 8.300 nan 0.000 0.518 93 L N -0.917 119.674 121.223 -1.052 0.000 2.610 93 L HA 0.122 4.462 4.340 -0.000 0.000 0.232 93 L C 0.221 176.984 176.870 -0.178 0.000 1.149 93 L CA 0.079 54.334 54.840 -0.975 0.000 0.872 93 L CB -0.525 40.947 42.059 -0.977 0.000 0.992 93 L HN 0.123 nan 8.230 nan 0.000 0.447 94 F N -0.484 119.355 119.950 -0.185 0.000 2.492 94 F HA 0.557 5.083 4.527 -0.000 0.000 0.327 94 F C 0.493 176.312 175.800 0.031 0.000 1.079 94 F CA -1.427 56.549 58.000 -0.039 0.000 0.967 94 F CB 1.407 40.369 39.000 -0.064 0.000 1.169 94 F HN -0.213 nan 8.300 nan 0.000 0.472 95 R N 1.360 122.019 120.500 0.266 0.000 2.919 95 R HA 0.351 4.691 4.340 -0.000 0.000 0.260 95 R C -2.142 174.229 176.300 0.118 0.000 1.067 95 R CA -2.281 53.923 56.100 0.175 0.000 1.003 95 R CB 0.780 31.182 30.300 0.170 0.000 1.192 95 R HN 0.203 nan 8.270 nan 0.000 0.488 96 P HA -0.174 nan 4.420 nan 0.000 0.218 96 P C 0.554 177.876 177.300 0.037 0.000 1.148 96 P CA 1.542 64.675 63.100 0.056 0.000 0.822 96 P CB 0.277 32.005 31.700 0.047 0.000 0.784 97 K N -1.440 118.983 120.400 0.040 0.000 2.486 97 K HA -0.020 4.300 4.320 -0.000 0.000 0.194 97 K C 1.193 177.796 176.600 0.005 0.000 1.033 97 K CA 1.290 57.590 56.287 0.021 0.000 1.004 97 K CB -0.816 31.698 32.500 0.024 0.000 0.798 97 K HN 0.056 nan 8.250 nan 0.000 0.495 98 D N 0.818 121.223 120.400 0.009 0.000 2.301 98 D HA 0.090 4.730 4.640 -0.000 0.000 0.206 98 D C 0.493 176.739 176.300 -0.090 0.000 0.979 98 D CA 0.026 54.001 54.000 -0.042 0.000 0.874 98 D CB 0.111 40.892 40.800 -0.032 0.000 0.968 98 D HN 0.198 nan 8.370 nan 0.000 0.510 99 I N 0.922 121.463 120.570 -0.049 0.000 3.076 99 I HA -0.187 3.983 4.170 -0.000 0.000 0.321 99 I C 1.809 177.881 176.117 -0.075 0.000 1.216 99 I CA 1.367 62.634 61.300 -0.055 0.000 1.460 99 I CB 0.284 38.275 38.000 -0.015 0.000 1.313 99 I HN 0.278 nan 8.210 nan 0.000 0.546 100 G N 5.672 114.415 108.800 -0.096 0.000 2.490 100 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.214 100 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.214 100 G C 0.428 175.239 174.900 -0.147 0.000 1.151 100 G CA -0.367 44.677 45.100 -0.093 0.000 0.684 100 G HN 0.576 nan 8.290 nan 0.000 0.518 101 R N 2.502 122.890 120.500 -0.187 0.000 2.734 101 R HA 0.397 4.737 4.340 -0.000 0.000 0.266 101 R C -2.172 173.910 176.300 -0.363 0.000 1.044 101 R CA -0.706 55.242 56.100 -0.254 0.000 1.128 101 R CB 0.094 30.258 30.300 -0.226 0.000 1.010 101 R HN 0.282 nan 8.270 nan 0.000 0.461 102 P HA -0.011 nan 4.420 nan 0.000 0.268 102 P C -0.453 176.583 177.300 -0.441 0.000 1.205 102 P CA 0.054 62.778 63.100 -0.627 0.000 0.771 102 P CB 0.804 31.729 31.700 -1.292 0.000 0.858 103 K N 2.603 122.802 120.400 -0.335 0.000 1.991 103 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 103 K C 2.188 178.721 176.600 -0.112 0.000 1.049 103 K CA 1.989 58.065 56.287 -0.350 0.000 0.932 103 K CB -0.891 31.590 32.500 -0.033 0.000 0.717 103 K HN 0.465 nan 8.250 nan 0.000 0.441 104 A N 1.736 124.562 122.820 0.011 0.000 1.940 104 A HA -0.323 3.997 4.320 -0.000 0.000 0.221 104 A C 2.138 179.727 177.584 0.008 0.000 1.190 104 A CA 2.176 54.252 52.037 0.064 0.000 0.647 104 A CB -0.656 18.426 19.000 0.138 0.000 0.821 104 A HN 0.501 nan 8.150 nan 0.000 0.457 105 E N -0.509 119.644 120.200 -0.077 0.000 2.001 105 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 105 E C 1.956 178.527 176.600 -0.050 0.000 0.994 105 E CA 1.540 57.890 56.400 -0.083 0.000 0.815 105 E CB -0.208 29.395 29.700 -0.162 0.000 0.770 105 E HN 0.287 nan 8.360 nan 0.000 0.453 106 V N 1.687 121.535 119.914 -0.108 0.000 2.317 106 V HA -0.347 3.773 4.120 -0.000 0.000 0.251 106 V C 2.500 178.675 176.094 0.135 0.000 1.065 106 V CA 1.997 64.277 62.300 -0.033 0.000 1.049 106 V CB -1.063 30.650 31.823 -0.184 0.000 0.651 106 V HN 0.481 nan 8.190 nan 0.000 0.450 107 A N -0.060 122.856 122.820 0.161 0.000 1.908 107 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 107 A C 2.421 180.103 177.584 0.162 0.000 1.181 107 A CA 2.466 54.638 52.037 0.224 0.000 0.627 107 A CB -0.790 18.333 19.000 0.205 0.000 0.818 107 A HN 0.620 nan 8.150 nan 0.000 0.445 108 A N 0.448 123.332 122.820 0.108 0.000 1.897 108 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 108 A C 1.993 179.644 177.584 0.112 0.000 1.181 108 A CA 1.604 53.693 52.037 0.087 0.000 0.620 108 A CB -0.632 18.387 19.000 0.032 0.000 0.821 108 A HN 0.786 nan 8.150 nan 0.000 0.443 109 E N -1.455 118.806 120.200 0.102 0.000 2.204 109 E HA -0.205 4.144 4.350 -0.000 0.000 0.195 109 E C 1.804 178.481 176.600 0.128 0.000 0.990 109 E CA 1.274 57.725 56.400 0.085 0.000 0.821 109 E CB -0.467 29.262 29.700 0.048 0.000 0.750 109 E HN 0.632 nan 8.360 nan 0.000 0.477 110 F N 0.825 120.808 119.950 0.055 0.000 2.149 110 F HA 0.011 4.538 4.527 -0.000 0.000 0.294 110 F C 2.078 177.927 175.800 0.081 0.000 1.095 110 F CA 0.732 58.778 58.000 0.075 0.000 1.276 110 F CB 0.099 39.159 39.000 0.101 0.000 1.023 110 F HN -0.024 nan 8.300 nan 0.000 0.480 111 L N 0.472 121.954 121.223 0.433 0.000 2.056 111 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 111 L C 1.856 178.848 176.870 0.203 0.000 1.078 111 L CA 1.201 56.227 54.840 0.310 0.000 0.749 111 L CB -0.577 41.602 42.059 0.200 0.000 0.901 111 L HN 0.116 nan 8.230 nan 0.000 0.433 112 N N -0.649 118.137 118.700 0.144 0.000 2.550 112 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 112 N C 1.116 176.677 175.510 0.085 0.000 1.110 112 N CA 0.941 54.052 53.050 0.101 0.000 0.912 112 N CB -0.080 38.448 38.487 0.068 0.000 0.968 112 N HN 0.475 nan 8.380 nan 0.000 0.448 113 D N 0.199 120.645 120.400 0.076 0.000 2.422 113 D HA -0.007 4.633 4.640 -0.000 0.000 0.218 113 D C 1.672 177.986 176.300 0.023 0.000 1.047 113 D CA 0.142 54.154 54.000 0.019 0.000 0.885 113 D CB 0.532 41.297 40.800 -0.058 0.000 1.035 113 D HN -0.026 nan 8.370 nan 0.000 0.502 114 R N 0.047 120.595 120.500 0.080 0.000 2.210 114 R HA 0.165 4.505 4.340 -0.000 0.000 0.203 114 R C -0.141 176.251 176.300 0.154 0.000 1.010 114 R CA 0.528 56.696 56.100 0.115 0.000 1.008 114 R CB 0.343 30.792 30.300 0.248 0.000 0.923 114 R HN -0.077 nan 8.270 nan 0.000 0.469 115 V N 2.329 122.343 119.914 0.167 0.000 2.325 115 V HA 0.289 4.409 4.120 -0.000 0.000 0.280 115 V C -1.829 174.366 176.094 0.169 0.000 1.016 115 V CA -1.938 60.469 62.300 0.179 0.000 0.818 115 V CB 1.614 33.551 31.823 0.191 0.000 1.019 115 V HN 0.112 nan 8.190 nan 0.000 0.434 116 P HA -0.274 nan 4.420 nan 0.000 0.227 116 P C 0.948 178.331 177.300 0.139 0.000 0.791 116 P CA 1.855 65.064 63.100 0.181 0.000 1.075 116 P CB 0.071 31.929 31.700 0.263 0.000 0.728 117 N N -2.028 116.756 118.700 0.141 0.000 2.370 117 N HA 0.009 4.749 4.740 -0.000 0.000 0.198 117 N C 0.311 175.880 175.510 0.097 0.000 1.156 117 N CA 0.044 53.158 53.050 0.106 0.000 0.839 117 N CB -0.732 37.811 38.487 0.094 0.000 0.989 117 N HN 0.206 nan 8.380 nan 0.000 0.468 118 C N 1.619 120.993 119.300 0.123 0.000 2.641 118 C HA -0.008 4.452 4.460 -0.000 0.000 0.412 118 C C 1.203 176.235 174.990 0.070 0.000 1.312 118 C CA 0.235 59.322 59.018 0.115 0.000 1.838 118 C CB -0.656 27.168 27.740 0.140 0.000 2.682 118 C HN 0.392 nan 8.230 nan 0.000 0.627 119 N N 2.799 121.526 118.700 0.045 0.000 2.696 119 N HA 0.260 4.999 4.740 -0.000 0.000 0.308 119 N C -0.959 174.529 175.510 -0.038 0.000 1.915 119 N CA -0.291 52.761 53.050 0.004 0.000 0.906 119 N CB 0.521 39.003 38.487 -0.009 0.000 1.284 119 N HN 0.442 nan 8.380 nan 0.000 0.488 120 V N 1.490 121.394 119.914 -0.016 0.000 2.381 120 V HA 0.184 4.303 4.120 -0.000 0.000 0.257 120 V C 0.367 176.406 176.094 -0.092 0.000 1.057 120 V CA -0.576 61.697 62.300 -0.046 0.000 1.013 120 V CB 0.583 32.415 31.823 0.016 0.000 1.069 120 V HN 0.084 nan 8.190 nan 0.000 0.484 121 V N 9.193 128.981 119.914 -0.209 0.000 2.432 121 V HA 0.316 4.436 4.120 -0.000 0.000 0.271 121 V C -1.709 174.247 176.094 -0.229 0.000 1.046 121 V CA -1.280 60.884 62.300 -0.227 0.000 0.945 121 V CB 1.474 33.092 31.823 -0.342 0.000 0.992 121 V HN 0.721 nan 8.190 nan 0.000 0.471 122 P HA 0.415 nan 4.420 nan 0.000 0.293 122 P C -1.242 175.919 177.300 -0.232 0.000 1.291 122 P CA -0.525 62.494 63.100 -0.136 0.000 0.867 122 P CB 1.376 33.056 31.700 -0.033 0.000 1.074 123 H N 2.541 121.748 119.070 0.228 0.000 2.887 123 H HA 0.179 4.735 4.556 -0.000 0.000 0.300 123 H C -0.760 174.745 175.328 0.295 0.000 1.038 123 H CA -0.470 55.740 56.048 0.270 0.000 1.352 123 H CB 0.556 30.507 29.762 0.314 0.000 1.473 123 H HN 0.333 nan 8.280 nan 0.000 0.503 124 F N 4.587 124.636 119.950 0.166 0.000 2.651 124 F HA 0.195 4.721 4.527 -0.000 0.000 0.369 124 F C -0.322 175.511 175.800 0.055 0.000 1.187 124 F CA -0.410 57.640 58.000 0.083 0.000 1.335 124 F CB -0.664 38.354 39.000 0.030 0.000 1.707 124 F HN 0.373 nan 8.300 nan 0.000 0.637 125 N N 1.768 120.482 118.700 0.023 0.000 2.697 125 N HA 0.335 5.075 4.740 -0.000 0.000 0.272 125 N C -1.303 174.154 175.510 -0.088 0.000 1.381 125 N CA -1.109 51.834 53.050 -0.179 0.000 0.797 125 N CB 2.247 40.574 38.487 -0.267 0.000 1.523 125 N HN 0.163 nan 8.380 nan 0.000 0.518 126 K N 0.005 120.297 120.400 -0.179 0.000 2.098 126 K HA 0.370 4.690 4.320 -0.000 0.000 0.258 126 K C 1.323 177.878 176.600 -0.075 0.000 0.973 126 K CA -0.680 55.531 56.287 -0.127 0.000 0.898 126 K CB 1.462 33.841 32.500 -0.201 0.000 1.057 126 K HN 0.636 nan 8.250 nan 0.000 0.447 127 I N -1.626 118.921 120.570 -0.039 0.000 2.315 127 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 127 I C 1.138 177.108 176.117 -0.245 0.000 1.125 127 I CA 1.170 62.501 61.300 0.051 0.000 1.392 127 I CB -0.418 37.593 38.000 0.019 0.000 1.065 127 I HN 0.562 nan 8.210 nan 0.000 0.424 128 Q N 1.157 120.563 119.800 -0.656 0.000 2.488 128 Q HA -0.099 4.241 4.340 -0.000 0.000 0.211 128 Q C 1.433 177.262 176.000 -0.285 0.000 0.967 128 Q CA 0.989 56.336 55.803 -0.760 0.000 0.926 128 Q CB -0.387 27.918 28.738 -0.721 0.000 0.992 128 Q HN 0.546 nan 8.270 nan 0.000 0.506 129 D N -0.765 119.446 120.400 -0.314 0.000 2.269 129 D HA -0.027 4.612 4.640 -0.000 0.000 0.208 129 D C -0.230 175.740 176.300 -0.549 0.000 0.963 129 D CA 0.637 54.352 54.000 -0.475 0.000 0.864 129 D CB 0.221 40.597 40.800 -0.707 0.000 0.936 129 D HN 0.137 nan 8.370 nan 0.000 0.505 130 F N 0.151 120.062 119.950 -0.066 0.000 2.525 130 F HA 0.362 4.889 4.527 -0.000 0.000 0.346 130 F C 0.787 176.743 175.800 0.259 0.000 1.072 130 F CA -1.186 56.792 58.000 -0.037 0.000 1.033 130 F CB 0.744 39.592 39.000 -0.253 0.000 1.324 130 F HN -0.240 nan 8.300 nan 0.000 0.491 131 N N -1.976 117.016 118.700 0.487 0.000 2.902 131 N HA 0.199 4.939 4.740 -0.000 0.000 0.268 131 N C -0.129 175.653 175.510 0.454 0.000 1.450 131 N CA -0.614 52.710 53.050 0.457 0.000 0.819 131 N CB 0.294 38.938 38.487 0.262 0.000 1.540 131 N HN 0.507 nan 8.380 nan 0.000 0.545 132 D N -0.321 120.288 120.400 0.348 0.000 2.268 132 D HA -0.320 4.320 4.640 -0.000 0.000 0.189 132 D C 1.025 177.449 176.300 0.207 0.000 1.010 132 D CA 2.752 56.917 54.000 0.275 0.000 0.862 132 D CB -1.503 39.381 40.800 0.140 0.000 0.943 132 D HN 0.648 nan 8.370 nan 0.000 0.451 133 T N 0.121 114.764 114.554 0.148 0.000 2.751 133 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 133 T C 1.504 176.241 174.700 0.062 0.000 1.045 133 T CA 1.557 63.710 62.100 0.088 0.000 1.142 133 T CB -0.594 68.323 68.868 0.083 0.000 0.851 133 T HN 0.278 nan 8.240 nan 0.000 0.474 134 F N 0.354 120.247 119.950 -0.096 0.000 2.293 134 F HA 0.119 4.646 4.527 -0.000 0.000 0.297 134 F C 1.658 177.251 175.800 -0.345 0.000 1.089 134 F CA 0.252 58.070 58.000 -0.304 0.000 1.377 134 F CB -0.246 38.490 39.000 -0.441 0.000 1.051 134 F HN 0.188 nan 8.300 nan 0.000 0.511 135 Y N -0.216 120.010 120.300 -0.123 0.000 2.397 135 Y HA 0.105 4.655 4.550 -0.000 0.000 0.292 135 Y C 2.423 178.265 175.900 -0.097 0.000 1.115 135 Y CA 0.539 58.562 58.100 -0.127 0.000 1.208 135 Y CB -0.391 38.068 38.460 -0.001 0.000 1.046 135 Y HN -0.173 nan 8.280 nan 0.000 0.552 136 R N 0.504 121.021 120.500 0.029 0.000 2.127 136 R HA -0.263 4.077 4.340 -0.000 0.000 0.238 136 R C 2.191 178.403 176.300 -0.147 0.000 1.134 136 R CA 1.651 57.736 56.100 -0.025 0.000 0.975 136 R CB -0.375 29.911 30.300 -0.022 0.000 0.865 136 R HN 0.467 nan 8.270 nan 0.000 0.447 137 Q N 0.296 119.907 119.800 -0.315 0.000 2.248 137 Q HA -0.139 4.200 4.340 -0.000 0.000 0.208 137 Q C -0.427 175.100 176.000 -0.789 0.000 0.984 137 Q CA 1.127 56.578 55.803 -0.586 0.000 0.875 137 Q CB 0.089 28.320 28.738 -0.846 0.000 0.910 137 Q HN 0.147 nan 8.270 nan 0.000 0.433 138 F N -0.815 118.922 119.950 -0.355 0.000 2.399 138 F HA 0.231 4.758 4.527 -0.000 0.000 0.328 138 F C 1.265 176.917 175.800 -0.247 0.000 1.084 138 F CA -0.906 56.888 58.000 -0.344 0.000 1.053 138 F CB 1.056 39.906 39.000 -0.251 0.000 1.209 138 F HN -0.014 nan 8.300 nan 0.000 0.502 139 H N 1.813 120.982 119.070 0.165 0.000 2.399 139 H HA 0.339 4.895 4.556 -0.000 0.000 0.300 139 H C 0.274 175.647 175.328 0.075 0.000 1.048 139 H CA 1.077 57.178 56.048 0.087 0.000 1.370 139 H CB 0.453 30.261 29.762 0.076 0.000 1.428 139 H HN 0.294 nan 8.280 nan 0.000 0.534 140 I N 0.309 120.995 120.570 0.194 0.000 2.969 140 I HA 0.360 4.530 4.170 -0.000 0.000 0.307 140 I C -0.910 175.191 176.117 -0.026 0.000 1.149 140 I CA -0.853 60.487 61.300 0.067 0.000 1.008 140 I CB 3.358 41.379 38.000 0.035 0.000 1.232 140 I HN -0.193 nan 8.210 nan 0.000 0.435 141 I N 3.900 124.428 120.570 -0.070 0.000 2.534 141 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 141 I C -0.757 175.296 176.117 -0.106 0.000 1.077 141 I CA -0.881 60.340 61.300 -0.131 0.000 1.051 141 I CB 2.219 40.146 38.000 -0.121 0.000 1.234 141 I HN 0.242 nan 8.210 nan 0.000 0.425 142 V N 1.809 121.652 119.914 -0.117 0.000 2.919 142 V HA 0.720 4.840 4.120 -0.000 0.000 0.316 142 V C -0.445 175.609 176.094 -0.067 0.000 1.077 142 V CA -0.640 61.605 62.300 -0.092 0.000 0.977 142 V CB 1.774 33.533 31.823 -0.108 0.000 1.039 142 V HN 0.847 nan 8.190 nan 0.000 0.441 143 C N 1.662 120.934 119.300 -0.048 0.000 2.626 143 C HA 0.900 5.359 4.460 -0.000 0.000 0.310 143 C C 0.790 175.767 174.990 -0.021 0.000 1.191 143 C CA 0.068 59.073 59.018 -0.023 0.000 1.517 143 C CB 1.286 29.025 27.740 -0.001 0.000 2.102 143 C HN 1.319 nan 8.230 nan 0.000 0.479 144 G N 2.285 111.079 108.800 -0.010 0.000 4.885 144 G HA2 0.436 4.396 3.960 -0.000 0.000 0.263 144 G HA3 0.436 4.396 3.960 -0.000 0.000 0.263 144 G C -0.273 174.631 174.900 0.006 0.000 1.168 144 G CA -0.084 45.007 45.100 -0.014 0.000 0.906 144 G HN 0.627 nan 8.290 nan 0.000 0.575 145 L N 0.374 121.610 121.223 0.022 0.000 2.476 145 L HA 0.333 4.673 4.340 -0.000 0.000 0.255 145 L C 0.975 177.867 176.870 0.037 0.000 1.218 145 L CA -0.444 54.417 54.840 0.035 0.000 0.819 145 L CB 0.909 42.999 42.059 0.050 0.000 1.119 145 L HN 0.350 nan 8.230 nan 0.000 0.485 146 D N -1.446 118.977 120.400 0.038 0.000 2.540 146 D HA 0.076 4.716 4.640 -0.000 0.000 0.229 146 D C -0.123 176.204 176.300 0.045 0.000 1.250 146 D CA -0.017 54.005 54.000 0.037 0.000 0.817 146 D CB 0.560 41.374 40.800 0.023 0.000 1.060 146 D HN 0.399 nan 8.370 nan 0.000 0.508 147 S N -1.058 114.675 115.700 0.055 0.000 2.579 147 S HA 0.478 4.948 4.470 -0.000 0.000 0.272 147 S C 0.728 175.360 174.600 0.054 0.000 1.141 147 S CA -0.812 57.416 58.200 0.048 0.000 0.843 147 S CB 1.149 64.360 63.200 0.018 0.000 1.122 147 S HN -0.076 nan 8.310 nan 0.000 0.468 148 I N 1.192 121.769 120.570 0.011 0.000 2.163 148 I HA -0.086 4.084 4.170 -0.000 0.000 0.240 148 I C 1.853 177.928 176.117 -0.069 0.000 1.081 148 I CA 1.055 62.291 61.300 -0.107 0.000 1.353 148 I CB -0.522 37.312 38.000 -0.277 0.000 1.054 148 I HN 0.616 nan 8.210 nan 0.000 0.407 149 I N 1.666 122.213 120.570 -0.038 0.000 2.113 149 I HA -0.350 3.819 4.170 -0.000 0.000 0.242 149 I C 2.753 178.911 176.117 0.069 0.000 1.057 149 I CA 1.994 63.298 61.300 0.007 0.000 1.314 149 I CB -1.275 36.728 38.000 0.004 0.000 1.022 149 I HN 0.186 nan 8.210 nan 0.000 0.408 150 A N 0.165 123.020 122.820 0.058 0.000 1.883 150 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 150 A C 2.489 180.159 177.584 0.142 0.000 1.186 150 A CA 2.143 54.236 52.037 0.094 0.000 0.624 150 A CB -0.694 18.334 19.000 0.047 0.000 0.822 150 A HN 0.353 nan 8.150 nan 0.000 0.444 151 R N -0.842 119.714 120.500 0.093 0.000 2.091 151 R HA -0.071 4.269 4.340 -0.000 0.000 0.238 151 R C 2.441 178.785 176.300 0.075 0.000 1.136 151 R CA 1.724 57.877 56.100 0.087 0.000 0.959 151 R CB -0.285 30.071 30.300 0.093 0.000 0.856 151 R HN 0.506 nan 8.270 nan 0.000 0.437 152 R N -1.332 119.201 120.500 0.055 0.000 2.152 152 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 152 R C 1.763 178.101 176.300 0.063 0.000 1.117 152 R CA 1.485 57.604 56.100 0.032 0.000 0.981 152 R CB -0.174 30.127 30.300 0.002 0.000 0.870 152 R HN 0.376 nan 8.270 nan 0.000 0.451 153 W N 0.408 121.684 121.300 -0.040 0.000 2.480 153 W HA -0.050 4.610 4.660 -0.000 0.000 0.299 153 W C 1.750 178.230 176.519 -0.065 0.000 1.187 153 W CA 0.406 57.728 57.345 -0.038 0.000 1.347 153 W CB -0.127 29.320 29.460 -0.022 0.000 1.121 153 W HN -0.057 nan 8.180 nan 0.000 0.533 154 I N 1.801 122.567 120.570 0.328 0.000 2.614 154 I HA -0.224 3.946 4.170 -0.000 0.000 0.258 154 I C 1.936 177.971 176.117 -0.138 0.000 1.189 154 I CA 2.005 63.374 61.300 0.115 0.000 1.462 154 I CB -0.948 37.133 38.000 0.135 0.000 1.092 154 I HN 0.145 nan 8.210 nan 0.000 0.442 155 N N 0.432 119.076 118.700 -0.094 0.000 2.080 155 N HA -0.094 4.646 4.740 -0.000 0.000 0.189 155 N C 2.069 177.474 175.510 -0.175 0.000 1.036 155 N CA 1.855 54.842 53.050 -0.106 0.000 0.846 155 N CB -0.787 37.670 38.487 -0.050 0.000 1.015 155 N HN 0.343 nan 8.380 nan 0.000 0.423 156 G N 0.384 109.041 108.800 -0.239 0.000 2.421 156 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 156 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 156 G C 1.488 176.186 174.900 -0.337 0.000 1.171 156 G CA 1.198 46.138 45.100 -0.267 0.000 0.775 156 G HN 0.378 nan 8.290 nan 0.000 0.543 157 M N 0.502 119.773 119.600 -0.548 0.000 2.088 157 M HA -0.036 4.444 4.480 -0.000 0.000 0.256 157 M C 2.293 178.407 176.300 -0.310 0.000 1.071 157 M CA 1.481 56.446 55.300 -0.558 0.000 1.097 157 M CB -0.606 31.475 32.600 -0.865 0.000 1.315 157 M HN 0.168 nan 8.290 nan 0.000 0.406 158 L N -1.036 120.025 121.223 -0.270 0.000 2.291 158 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 158 L C 2.195 179.006 176.870 -0.098 0.000 1.120 158 L CA 0.634 55.380 54.840 -0.158 0.000 0.799 158 L CB -0.450 41.527 42.059 -0.137 0.000 0.925 158 L HN 0.378 nan 8.230 nan 0.000 0.446 159 I N -0.979 119.527 120.570 -0.107 0.000 2.716 159 I HA -0.175 3.995 4.170 -0.000 0.000 0.259 159 I C 2.508 178.604 176.117 -0.035 0.000 1.172 159 I CA 0.992 62.259 61.300 -0.055 0.000 1.478 159 I CB -0.034 37.932 38.000 -0.056 0.000 1.104 159 I HN 0.277 nan 8.210 nan 0.000 0.439 160 S N 0.926 116.583 115.700 -0.072 0.000 2.481 160 S HA -0.000 4.469 4.470 -0.000 0.000 0.231 160 S C 1.798 176.390 174.600 -0.013 0.000 0.996 160 S CA 0.496 58.670 58.200 -0.044 0.000 0.942 160 S CB -0.545 62.609 63.200 -0.077 0.000 0.768 160 S HN 0.415 nan 8.310 nan 0.000 0.520 161 L N 0.722 121.933 121.223 -0.020 0.000 2.465 161 L HA 0.226 4.566 4.340 -0.000 0.000 0.224 161 L C 0.807 177.678 176.870 0.002 0.000 1.145 161 L CA 0.087 54.926 54.840 -0.000 0.000 0.834 161 L CB -0.641 41.419 42.059 0.001 0.000 0.944 161 L HN 0.283 nan 8.230 nan 0.000 0.451 162 L N 0.382 121.610 121.223 0.008 0.000 2.473 162 L HA -0.006 4.334 4.340 -0.000 0.000 0.268 162 L C 0.262 177.147 176.870 0.024 0.000 1.215 162 L CA 0.251 55.089 54.840 -0.003 0.000 0.823 162 L CB 0.154 42.238 42.059 0.041 0.000 1.099 162 L HN 0.091 nan 8.230 nan 0.000 0.483 163 N N 0.447 119.123 118.700 -0.040 0.000 2.577 163 N HA 0.234 4.974 4.740 -0.000 0.000 0.275 163 N C -1.573 173.912 175.510 -0.042 0.000 1.091 163 N CA -0.413 52.640 53.050 0.005 0.000 0.843 163 N CB 0.563 39.043 38.487 -0.012 0.000 1.295 163 N HN 0.255 nan 8.380 nan 0.000 0.530 164 Y N 1.667 121.961 120.300 -0.009 0.000 2.595 164 Y HA 0.196 4.746 4.550 -0.000 0.000 0.347 164 Y C 0.288 176.185 175.900 -0.006 0.000 1.025 164 Y CA -0.495 57.601 58.100 -0.008 0.000 1.295 164 Y CB 0.585 39.038 38.460 -0.011 0.000 1.147 164 Y HN 0.372 nan 8.280 nan 0.000 0.515 165 E N 4.108 124.360 120.200 0.087 0.000 1.795 165 E HA -0.039 4.311 4.350 -0.000 0.000 0.261 165 E C -0.696 175.946 176.600 0.070 0.000 1.238 165 E CA -0.088 56.348 56.400 0.060 0.000 1.001 165 E CB -0.118 29.596 29.700 0.023 0.000 1.065 165 E HN 0.576 nan 8.360 nan 0.000 0.418 166 D N 2.683 123.128 120.400 0.075 0.000 2.904 166 D HA -0.222 4.418 4.640 -0.000 0.000 0.231 166 D C 1.050 177.393 176.300 0.072 0.000 1.185 166 D CA 1.353 55.387 54.000 0.058 0.000 0.783 166 D CB -0.935 39.887 40.800 0.036 0.000 0.961 166 D HN 0.950 nan 8.370 nan 0.000 0.409 167 G N -1.431 107.436 108.800 0.112 0.000 2.383 167 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.229 167 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.229 167 G C 0.440 175.459 174.900 0.198 0.000 1.089 167 G CA 0.154 45.332 45.100 0.129 0.000 0.640 167 G HN 0.627 nan 8.290 nan 0.000 0.510 168 V N 2.432 122.423 119.914 0.128 0.000 2.406 168 V HA 0.571 4.691 4.120 -0.000 0.000 0.272 168 V C 0.558 176.631 176.094 -0.035 0.000 1.043 168 V CA -0.290 62.046 62.300 0.059 0.000 0.915 168 V CB 1.417 33.252 31.823 0.020 0.000 0.988 168 V HN 0.589 nan 8.190 nan 0.000 0.466 169 L N 5.495 126.598 121.223 -0.200 0.000 2.407 169 L HA 0.347 4.687 4.340 -0.000 0.000 0.282 169 L C 0.203 176.912 176.870 -0.269 0.000 1.110 169 L CA 0.054 54.569 54.840 -0.542 0.000 0.863 169 L CB 0.424 42.022 42.059 -0.768 0.000 1.207 169 L HN 0.731 nan 8.230 nan 0.000 0.454 170 D N 7.506 127.784 120.400 -0.204 0.000 2.358 170 D HA 0.118 4.758 4.640 -0.000 0.000 0.258 170 D C -1.598 174.635 176.300 -0.111 0.000 1.223 170 D CA -1.715 52.217 54.000 -0.113 0.000 0.886 170 D CB 1.156 41.914 40.800 -0.071 0.000 1.120 170 D HN 0.446 nan 8.370 nan 0.000 0.482 171 P HA -0.104 nan 4.420 nan 0.000 0.231 171 P C 0.824 178.102 177.300 -0.037 0.000 1.158 171 P CA 0.459 63.523 63.100 -0.059 0.000 0.763 171 P CB 0.313 31.991 31.700 -0.036 0.000 0.805 172 S N 0.511 116.191 115.700 -0.032 0.000 2.406 172 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 172 S C 1.897 176.491 174.600 -0.010 0.000 1.020 172 S CA 1.498 59.690 58.200 -0.013 0.000 0.965 172 S CB -0.625 62.570 63.200 -0.009 0.000 0.798 172 S HN 0.405 nan 8.310 nan 0.000 0.488 173 S N 0.670 116.352 115.700 -0.031 0.000 2.631 173 S HA 0.268 4.738 4.470 -0.000 0.000 0.217 173 S C 0.353 174.936 174.600 -0.028 0.000 0.958 173 S CA -0.225 57.958 58.200 -0.027 0.000 0.920 173 S CB -0.545 62.630 63.200 -0.041 0.000 0.776 173 S HN 0.348 nan 8.310 nan 0.000 0.517 174 I N 2.310 122.863 120.570 -0.028 0.000 2.325 174 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 174 I C -0.767 175.350 176.117 0.002 0.000 1.019 174 I CA -0.741 60.545 61.300 -0.024 0.000 1.302 174 I CB 1.564 39.544 38.000 -0.033 0.000 1.401 174 I HN -0.011 nan 8.210 nan 0.000 0.485 175 V N 8.592 128.507 119.914 0.002 0.000 2.334 175 V HA 0.273 4.393 4.120 -0.000 0.000 0.281 175 V C -2.244 173.852 176.094 0.002 0.000 1.016 175 V CA -1.930 60.382 62.300 0.020 0.000 0.832 175 V CB 1.207 33.045 31.823 0.026 0.000 0.999 175 V HN 0.581 nan 8.190 nan 0.000 0.439 176 P HA 0.152 nan 4.420 nan 0.000 0.267 176 P C -0.752 176.535 177.300 -0.021 0.000 1.209 176 P CA -0.131 62.964 63.100 -0.008 0.000 0.763 176 P CB 0.576 32.273 31.700 -0.005 0.000 0.816 177 L N 5.469 126.675 121.223 -0.029 0.000 2.322 177 L HA 0.555 4.894 4.340 -0.000 0.000 0.281 177 L C -1.088 175.761 176.870 -0.036 0.000 1.014 177 L CA -0.340 54.477 54.840 -0.039 0.000 0.815 177 L CB 0.759 42.794 42.059 -0.041 0.000 1.247 177 L HN 0.248 nan 8.230 nan 0.000 0.421 178 I N 4.316 124.859 120.570 -0.046 0.000 2.410 178 I HA 0.335 4.505 4.170 -0.000 0.000 0.286 178 I C -1.006 175.084 176.117 -0.046 0.000 1.009 178 I CA -0.501 60.768 61.300 -0.051 0.000 1.111 178 I CB 1.783 39.744 38.000 -0.066 0.000 1.262 178 I HN 0.644 nan 8.210 nan 0.000 0.443 179 D N 4.474 124.853 120.400 -0.035 0.000 2.185 179 D HA 0.694 5.334 4.640 -0.000 0.000 0.247 179 D C -0.237 176.032 176.300 -0.052 0.000 1.027 179 D CA -0.201 53.788 54.000 -0.019 0.000 0.861 179 D CB 1.761 42.579 40.800 0.030 0.000 1.202 179 D HN 0.619 nan 8.370 nan 0.000 0.453 180 G N 0.698 109.471 108.800 -0.047 0.000 2.563 180 G HA2 0.665 4.625 3.960 -0.000 0.000 0.302 180 G HA3 0.665 4.625 3.960 -0.000 0.000 0.302 180 G C -0.839 174.035 174.900 -0.043 0.000 1.301 180 G CA -0.843 44.212 45.100 -0.074 0.000 0.965 180 G HN 0.587 nan 8.290 nan 0.000 0.480 181 G N -0.479 108.287 108.800 -0.057 0.000 2.682 181 G HA2 0.622 4.582 3.960 -0.000 0.000 0.300 181 G HA3 0.622 4.582 3.960 -0.000 0.000 0.300 181 G C -1.018 173.867 174.900 -0.025 0.000 1.391 181 G CA -0.317 44.767 45.100 -0.028 0.000 0.990 181 G HN 0.651 nan 8.290 nan 0.000 0.501 182 T N 0.087 114.636 114.554 -0.009 0.000 2.916 182 T HA 0.734 5.084 4.350 -0.000 0.000 0.292 182 T C -0.979 173.722 174.700 0.001 0.000 1.055 182 T CA -0.493 61.608 62.100 0.001 0.000 1.009 182 T CB 2.144 71.004 68.868 -0.012 0.000 1.118 182 T HN 0.601 nan 8.240 nan 0.000 0.497 183 E N 0.691 120.893 120.200 0.002 0.000 2.635 183 E HA 0.414 4.764 4.350 -0.000 0.000 0.388 183 E C 0.323 176.905 176.600 -0.031 0.000 1.027 183 E CA 0.364 56.757 56.400 -0.012 0.000 0.713 183 E CB -0.345 29.358 29.700 0.005 0.000 1.536 183 E HN 0.998 nan 8.360 nan 0.000 0.388 184 G N 2.838 111.574 108.800 -0.107 0.000 2.557 184 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.292 184 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.292 184 G C 0.216 174.941 174.900 -0.291 0.000 1.162 184 G CA 0.432 45.380 45.100 -0.252 0.000 0.964 184 G HN 0.467 nan 8.290 nan 0.000 0.541 185 F N 2.653 122.630 119.950 0.045 0.000 2.639 185 F HA 0.437 4.964 4.527 -0.000 0.000 0.300 185 F C 1.200 177.028 175.800 0.046 0.000 1.109 185 F CA 0.165 58.198 58.000 0.055 0.000 1.335 185 F CB 0.545 39.549 39.000 0.007 0.000 1.014 185 F HN 0.028 nan 8.300 nan 0.000 0.537 186 K N -0.036 120.482 120.400 0.196 0.000 2.328 186 K HA 0.786 5.106 4.320 -0.000 0.000 0.246 186 K C -0.073 176.640 176.600 0.187 0.000 0.955 186 K CA -0.803 55.581 56.287 0.161 0.000 0.817 186 K CB 2.315 34.873 32.500 0.098 0.000 1.208 186 K HN 0.110 nan 8.250 nan 0.000 0.432 187 G N 0.692 109.625 108.800 0.222 0.000 2.645 187 G HA2 0.469 4.429 3.960 -0.000 0.000 0.292 187 G HA3 0.469 4.429 3.960 -0.000 0.000 0.292 187 G C -1.835 173.091 174.900 0.043 0.000 1.415 187 G CA -0.678 44.496 45.100 0.123 0.000 0.785 187 G HN 0.769 nan 8.290 nan 0.000 0.483 188 N N -1.662 116.992 118.700 -0.077 0.000 3.046 188 N HA 0.640 5.380 4.740 -0.000 0.000 0.243 188 N C -1.386 173.951 175.510 -0.288 0.000 1.452 188 N CA -0.413 52.492 53.050 -0.242 0.000 0.882 188 N CB 1.841 40.132 38.487 -0.327 0.000 1.425 188 N HN 1.524 nan 8.380 nan 0.000 0.517 189 A N 0.345 122.896 122.820 -0.450 0.000 2.488 189 A HA 0.500 4.820 4.320 -0.000 0.000 0.295 189 A C -1.552 175.781 177.584 -0.418 0.000 1.045 189 A CA -0.564 51.276 52.037 -0.329 0.000 0.703 189 A CB 1.969 20.821 19.000 -0.247 0.000 1.271 189 A HN 0.725 nan 8.150 nan 0.000 0.400 190 Q N 1.743 121.409 119.800 -0.224 0.000 2.356 190 Q HA 0.674 5.013 4.340 -0.000 0.000 0.270 190 Q C -1.811 174.153 176.000 -0.060 0.000 1.058 190 Q CA -0.623 55.121 55.803 -0.099 0.000 0.802 190 Q CB 2.228 31.043 28.738 0.129 0.000 1.303 190 Q HN 0.602 nan 8.270 nan 0.000 0.444 191 V N 5.718 125.597 119.914 -0.058 0.000 2.370 191 V HA 0.453 4.573 4.120 -0.000 0.000 0.279 191 V C -0.268 175.815 176.094 -0.019 0.000 1.029 191 V CA -0.434 61.839 62.300 -0.046 0.000 0.870 191 V CB 1.188 32.978 31.823 -0.056 0.000 0.984 191 V HN 0.690 nan 8.190 nan 0.000 0.451 192 I N 5.945 126.507 120.570 -0.013 0.000 2.389 192 I HA 0.408 4.577 4.170 -0.000 0.000 0.288 192 I C -0.473 175.639 176.117 -0.009 0.000 0.999 192 I CA -0.381 60.917 61.300 -0.004 0.000 1.129 192 I CB 1.778 39.780 38.000 0.004 0.000 1.288 192 I HN 0.363 nan 8.210 nan 0.000 0.444 193 L N 8.333 129.554 121.223 -0.004 0.000 2.353 193 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 193 L C -2.262 174.604 176.870 -0.006 0.000 1.085 193 L CA -1.759 53.077 54.840 -0.007 0.000 0.938 193 L CB 0.293 42.350 42.059 -0.003 0.000 1.312 193 L HN 0.240 nan 8.230 nan 0.000 0.429 194 P HA -0.143 nan 4.420 nan 0.000 0.260 194 P C 0.994 178.293 177.300 -0.002 0.000 1.147 194 P CA 1.029 64.123 63.100 -0.010 0.000 0.758 194 P CB 0.435 32.122 31.700 -0.022 0.000 0.744 195 G N 2.081 110.897 108.800 0.026 0.000 2.203 195 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 195 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 195 G C 0.401 175.323 174.900 0.038 0.000 1.012 195 G CA 0.792 45.931 45.100 0.064 0.000 0.749 195 G HN 0.566 nan 8.290 nan 0.000 0.512 196 M N -2.449 117.165 119.600 0.023 0.000 1.918 196 M HA 0.261 4.741 4.480 -0.000 0.000 0.192 196 M C 0.894 177.209 176.300 0.025 0.000 1.474 196 M CA 1.043 56.355 55.300 0.019 0.000 0.927 196 M CB 0.723 33.324 32.600 0.002 0.000 1.567 196 M HN 0.067 nan 8.290 nan 0.000 0.581 197 T N 1.203 115.768 114.554 0.020 0.000 2.943 197 T HA 0.689 5.039 4.350 -0.000 0.000 0.284 197 T C -0.450 174.265 174.700 0.025 0.000 1.015 197 T CA -0.265 61.848 62.100 0.022 0.000 1.042 197 T CB 1.482 70.358 68.868 0.014 0.000 1.055 197 T HN 0.352 nan 8.240 nan 0.000 0.500 198 A N 1.217 124.055 122.820 0.031 0.000 2.567 198 A HA 0.301 4.621 4.320 -0.000 0.000 0.240 198 A C 1.022 178.625 177.584 0.032 0.000 1.053 198 A CA -0.420 51.638 52.037 0.035 0.000 0.755 198 A CB -0.963 18.063 19.000 0.043 0.000 0.978 198 A HN 1.078 nan 8.150 nan 0.000 0.507 199 C N 1.978 121.295 119.300 0.029 0.000 2.328 199 C HA 0.615 5.074 4.460 -0.000 0.000 0.378 199 C C 1.764 176.779 174.990 0.040 0.000 1.249 199 C CA -0.645 58.388 59.018 0.025 0.000 2.204 199 C CB -0.173 27.573 27.740 0.009 0.000 2.218 199 C HN 0.850 nan 8.230 nan 0.000 0.564 200 I N 0.433 121.029 120.570 0.043 0.000 2.423 200 I HA -0.164 4.006 4.170 -0.000 0.000 0.254 200 I C 2.559 178.711 176.117 0.059 0.000 1.151 200 I CA 1.801 63.145 61.300 0.072 0.000 1.421 200 I CB -0.291 37.748 38.000 0.065 0.000 1.079 200 I HN 0.856 nan 8.210 nan 0.000 0.431 201 E N -0.347 119.868 120.200 0.026 0.000 2.170 201 E HA -0.131 4.218 4.350 -0.000 0.000 0.191 201 E C 2.192 178.809 176.600 0.028 0.000 0.981 201 E CA 0.607 57.015 56.400 0.014 0.000 0.830 201 E CB -0.016 29.682 29.700 -0.005 0.000 0.775 201 E HN 0.421 nan 8.360 nan 0.000 0.470 202 C N 0.361 119.679 119.300 0.031 0.000 2.401 202 C HA -0.107 4.353 4.460 -0.000 0.000 0.286 202 C C 2.062 177.078 174.990 0.043 0.000 1.332 202 C CA 1.746 60.785 59.018 0.034 0.000 1.795 202 C CB -1.089 26.672 27.740 0.035 0.000 1.922 202 C HN 0.584 nan 8.230 nan 0.000 0.520 203 T N -3.376 111.212 114.554 0.058 0.000 3.200 203 T HA 0.169 4.519 4.350 -0.000 0.000 0.284 203 T C 0.968 175.744 174.700 0.126 0.000 1.009 203 T CA -0.173 61.964 62.100 0.062 0.000 0.907 203 T CB -0.282 68.601 68.868 0.025 0.000 1.120 203 T HN 0.170 nan 8.240 nan 0.000 0.534 204 L N 1.831 123.115 121.223 0.101 0.000 2.450 204 L HA 0.075 4.415 4.340 -0.000 0.000 0.225 204 L C 1.862 178.809 176.870 0.128 0.000 1.145 204 L CA 1.664 56.557 54.840 0.089 0.000 0.801 204 L CB -0.489 41.571 42.059 0.002 0.000 0.924 204 L HN 0.378 nan 8.230 nan 0.000 0.447 205 E N -1.420 118.849 120.200 0.114 0.000 2.472 205 E HA 0.022 4.371 4.350 -0.000 0.000 0.196 205 E C 1.927 178.600 176.600 0.122 0.000 1.033 205 E CA 0.026 56.487 56.400 0.102 0.000 0.886 205 E CB 0.073 29.807 29.700 0.057 0.000 0.944 205 E HN 0.513 nan 8.360 nan 0.000 0.492 206 L N 0.451 121.756 121.223 0.136 0.000 2.465 206 L HA -0.039 4.301 4.340 -0.000 0.000 0.224 206 L C 0.401 177.322 176.870 0.085 0.000 1.145 206 L CA 0.387 55.269 54.840 0.070 0.000 0.834 206 L CB -0.307 41.734 42.059 -0.029 0.000 0.944 206 L HN 0.100 nan 8.230 nan 0.000 0.451 207 Y N 1.803 122.131 120.300 0.046 0.000 2.425 207 Y HA 0.125 4.674 4.550 -0.000 0.000 0.331 207 Y C -1.170 174.753 175.900 0.039 0.000 1.157 207 Y CA -2.755 55.376 58.100 0.053 0.000 1.372 207 Y CB -0.308 38.178 38.460 0.043 0.000 1.253 207 Y HN -0.026 nan 8.280 nan 0.000 0.536 208 P HA 0.097 nan 4.420 nan 0.000 0.280 208 P C -2.498 174.861 177.300 0.097 0.000 1.278 208 P CA -0.883 62.272 63.100 0.091 0.000 0.787 208 P CB -0.082 31.655 31.700 0.061 0.000 1.163 209 P HA 0.234 nan 4.420 nan 0.000 0.282 209 P C -1.049 176.267 177.300 0.026 0.000 1.259 209 P CA -0.445 62.681 63.100 0.042 0.000 0.826 209 P CB 0.859 32.577 31.700 0.029 0.000 1.064 210 Q N 0.206 120.009 119.800 0.006 0.000 2.347 210 Q HA 0.415 4.755 4.340 -0.000 0.000 0.262 210 Q C -0.661 175.299 176.000 -0.066 0.000 0.980 210 Q CA -1.064 54.724 55.803 -0.025 0.000 0.867 210 Q CB 1.053 29.774 28.738 -0.028 0.000 1.242 210 Q HN 0.082 nan 8.270 nan 0.000 0.453 211 V N 3.758 123.614 119.914 -0.098 0.000 2.484 211 V HA -0.083 4.037 4.120 -0.000 0.000 0.276 211 V C -0.354 175.551 176.094 -0.314 0.000 0.976 211 V CA 0.381 62.582 62.300 -0.166 0.000 1.141 211 V CB -1.049 30.665 31.823 -0.183 0.000 0.975 211 V HN 0.723 nan 8.190 nan 0.000 0.466 212 N N 5.220 123.798 118.700 -0.205 0.000 2.564 212 N HA 0.423 5.163 4.740 -0.000 0.000 0.248 212 N C -0.428 175.037 175.510 -0.075 0.000 0.986 212 N CA -0.366 52.569 53.050 -0.193 0.000 0.921 212 N CB 0.621 39.061 38.487 -0.080 0.000 1.136 212 N HN 0.501 nan 8.380 nan 0.000 0.509 213 F N 2.268 122.231 119.950 0.021 0.000 2.623 213 F HA 0.104 4.631 4.527 -0.000 0.000 0.383 213 F C -1.284 174.492 175.800 -0.039 0.000 1.077 213 F CA -1.380 56.612 58.000 -0.013 0.000 1.268 213 F CB 0.139 39.139 39.000 -0.001 0.000 1.053 213 F HN 0.246 nan 8.300 nan 0.000 0.571 214 P HA 0.035 nan 4.420 nan 0.000 0.271 214 P C 0.596 177.909 177.300 0.021 0.000 1.218 214 P CA -0.360 62.767 63.100 0.045 0.000 0.780 214 P CB 0.657 32.362 31.700 0.008 0.000 0.901 215 M N 1.736 121.352 119.600 0.026 0.000 2.296 215 M HA -0.111 4.369 4.480 -0.000 0.000 0.265 215 M C 1.695 177.989 176.300 -0.011 0.000 1.064 215 M CA 1.442 56.757 55.300 0.025 0.000 1.109 215 M CB -1.491 31.132 32.600 0.038 0.000 1.396 215 M HN 0.449 nan 8.290 nan 0.000 0.430 216 A N -0.944 121.860 122.820 -0.026 0.000 2.015 216 A HA -0.090 4.229 4.320 -0.000 0.000 0.219 216 A C 2.201 179.725 177.584 -0.100 0.000 1.163 216 A CA 1.880 53.890 52.037 -0.046 0.000 0.646 216 A CB -0.679 18.302 19.000 -0.032 0.000 0.806 216 A HN 0.457 nan 8.150 nan 0.000 0.448 217 T N -0.172 114.294 114.554 -0.146 0.000 2.976 217 T HA 0.100 4.450 4.350 -0.000 0.000 0.257 217 T C 1.750 176.240 174.700 -0.350 0.000 1.051 217 T CA 1.052 62.986 62.100 -0.276 0.000 1.141 217 T CB -0.261 68.369 68.868 -0.395 0.000 0.881 217 T HN 0.405 nan 8.240 nan 0.000 0.461 218 I N 1.402 121.823 120.570 -0.249 0.000 2.252 218 I HA -0.097 4.073 4.170 -0.000 0.000 0.245 218 I C 2.699 178.701 176.117 -0.191 0.000 1.102 218 I CA 1.049 62.244 61.300 -0.174 0.000 1.385 218 I CB -0.356 37.652 38.000 0.014 0.000 1.064 218 I HN 0.198 nan 8.210 nan 0.000 0.414 219 A N 0.156 122.889 122.820 -0.146 0.000 1.878 219 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 219 A C 2.423 179.843 177.584 -0.273 0.000 1.310 219 A CA 1.268 53.192 52.037 -0.187 0.000 0.612 219 A CB -0.878 18.116 19.000 -0.011 0.000 0.989 219 A HN 0.257 nan 8.150 nan 0.000 0.472 220 S N 0.593 116.200 115.700 -0.156 0.000 2.349 220 S HA -0.073 4.397 4.470 -0.000 0.000 0.216 220 S C 1.158 175.663 174.600 -0.159 0.000 1.033 220 S CA 1.658 59.792 58.200 -0.109 0.000 1.021 220 S CB -0.446 62.723 63.200 -0.051 0.000 0.968 220 S HN 0.679 nan 8.310 nan 0.000 0.426 221 M N 0.925 120.414 119.600 -0.185 0.000 2.158 221 M HA 0.515 4.995 4.480 -0.000 0.000 0.326 221 M C -3.362 172.781 176.300 -0.262 0.000 1.014 221 M CA -2.027 53.163 55.300 -0.183 0.000 0.961 221 M CB 1.121 33.677 32.600 -0.073 0.000 1.327 221 M HN -0.195 nan 8.290 nan 0.000 0.393 222 P HA 0.349 nan 4.420 nan 0.000 0.276 222 P C -0.257 176.991 177.300 -0.087 0.000 1.230 222 P CA -0.192 62.736 63.100 -0.287 0.000 0.776 222 P CB 1.072 32.473 31.700 -0.498 0.000 0.888 223 R N 1.452 122.041 120.500 0.149 0.000 2.383 223 R HA 0.316 4.656 4.340 -0.000 0.000 0.205 223 R C 0.356 176.601 176.300 -0.090 0.000 0.875 223 R CA 0.075 56.203 56.100 0.047 0.000 1.039 223 R CB 0.290 30.646 30.300 0.093 0.000 1.267 223 R HN 0.368 nan 8.270 nan 0.000 0.635 224 L N 0.120 121.151 121.223 -0.321 0.000 2.286 224 L HA 0.434 4.774 4.340 -0.000 0.000 0.265 224 L C -1.986 174.696 176.870 -0.314 0.000 1.012 224 L CA -2.347 52.246 54.840 -0.413 0.000 0.818 224 L CB 1.571 43.224 42.059 -0.677 0.000 1.337 224 L HN -0.288 nan 8.230 nan 0.000 0.438 225 P HA -0.076 nan 4.420 nan 0.000 0.221 225 P C 0.769 178.000 177.300 -0.115 0.000 1.150 225 P CA 0.851 63.886 63.100 -0.108 0.000 0.800 225 P CB 0.397 32.066 31.700 -0.051 0.000 0.787 226 E N -1.238 118.847 120.200 -0.192 0.000 2.051 226 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 226 E C 1.886 178.381 176.600 -0.176 0.000 0.991 226 E CA 1.323 57.644 56.400 -0.131 0.000 0.799 226 E CB -1.016 28.625 29.700 -0.098 0.000 0.748 226 E HN 0.506 nan 8.360 nan 0.000 0.449 227 H N -1.122 117.699 119.070 -0.415 0.000 2.387 227 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 227 H C 1.988 177.190 175.328 -0.209 0.000 1.099 227 H CA 0.865 56.639 56.048 -0.456 0.000 1.315 227 H CB -0.091 29.401 29.762 -0.448 0.000 1.380 227 H HN 0.221 nan 8.280 nan 0.000 0.513 228 C N 0.565 119.844 119.300 -0.034 0.000 2.496 228 C HA -0.126 4.334 4.460 -0.000 0.000 0.281 228 C C 2.742 177.787 174.990 0.091 0.000 1.250 228 C CA 0.654 59.673 59.018 0.002 0.000 1.717 228 C CB -0.840 26.888 27.740 -0.020 0.000 2.082 228 C HN 0.486 nan 8.230 nan 0.000 0.472 229 I N 0.960 121.566 120.570 0.059 0.000 2.185 229 I HA -0.238 3.932 4.170 -0.000 0.000 0.246 229 I C 2.280 178.465 176.117 0.114 0.000 1.088 229 I CA 1.811 63.160 61.300 0.080 0.000 1.347 229 I CB -0.554 37.488 38.000 0.069 0.000 1.041 229 I HN 0.373 nan 8.210 nan 0.000 0.415 230 E N -0.347 119.938 120.200 0.140 0.000 2.505 230 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 230 E C 1.297 178.020 176.600 0.206 0.000 1.111 230 E CA 0.511 57.023 56.400 0.186 0.000 0.887 230 E CB -0.118 29.765 29.700 0.305 0.000 0.913 230 E HN 0.577 nan 8.360 nan 0.000 0.517 231 Y N -1.554 118.777 120.300 0.050 0.000 2.594 231 Y HA 0.156 4.706 4.550 -0.000 0.000 0.283 231 Y C 1.330 177.284 175.900 0.090 0.000 1.140 231 Y CA 0.334 58.464 58.100 0.050 0.000 1.261 231 Y CB 0.231 38.694 38.460 0.005 0.000 1.358 231 Y HN -0.078 nan 8.280 nan 0.000 0.513 232 V N 3.293 123.217 119.914 0.017 0.000 3.559 232 V HA -0.048 4.071 4.120 -0.000 0.000 0.272 232 V C 1.738 177.909 176.094 0.128 0.000 1.235 232 V CA 1.779 64.062 62.300 -0.028 0.000 1.192 232 V CB -1.089 30.712 31.823 -0.037 0.000 0.930 232 V HN 0.456 nan 8.190 nan 0.000 0.492 233 R N -0.415 120.128 120.500 0.071 0.000 2.977 233 R HA 0.213 4.553 4.340 -0.000 0.000 0.161 233 R C 1.975 178.295 176.300 0.032 0.000 0.805 233 R CA 0.192 56.321 56.100 0.049 0.000 1.044 233 R CB -0.108 30.196 30.300 0.007 0.000 1.433 233 R HN 0.362 nan 8.270 nan 0.000 0.570 234 M N 0.952 120.580 119.600 0.047 0.000 2.476 234 M HA 0.070 4.550 4.480 -0.000 0.000 0.262 234 M C 0.792 177.123 176.300 0.051 0.000 1.079 234 M CA 1.445 56.780 55.300 0.059 0.000 1.104 234 M CB 0.394 33.056 32.600 0.103 0.000 1.409 234 M HN 0.329 nan 8.290 nan 0.000 0.467 235 L N -2.643 118.566 121.223 -0.023 0.000 2.678 235 L HA 0.121 4.461 4.340 -0.000 0.000 0.187 235 L C 1.555 178.344 176.870 -0.135 0.000 1.073 235 L CA -0.054 54.735 54.840 -0.084 0.000 0.883 235 L CB -0.356 41.643 42.059 -0.100 0.000 1.501 235 L HN 0.014 nan 8.230 nan 0.000 0.488 236 Q N 0.401 119.992 119.800 -0.349 0.000 2.292 236 Q HA -0.117 4.222 4.340 -0.000 0.000 0.235 236 Q C 0.596 176.752 176.000 0.260 0.000 0.910 236 Q CA 0.350 56.074 55.803 -0.131 0.000 0.952 236 Q CB 0.243 28.807 28.738 -0.289 0.000 1.089 236 Q HN 0.567 nan 8.270 nan 0.000 0.431 237 W N -0.729 120.594 121.300 0.038 0.000 4.634 237 W HA 0.196 4.856 4.660 -0.000 0.000 0.188 237 W C -1.846 174.662 176.519 -0.018 0.000 1.087 237 W CA 0.229 57.607 57.345 0.055 0.000 1.788 237 W CB -0.410 29.092 29.460 0.070 0.000 0.651 237 W HN 0.055 nan 8.180 nan 0.000 0.982 238 P HA -0.053 nan 4.420 nan 0.000 0.242 238 P C 1.089 178.421 177.300 0.053 0.000 1.197 238 P CA 1.598 64.800 63.100 0.170 0.000 0.765 238 P CB 0.114 31.907 31.700 0.155 0.000 0.936 239 K N 1.438 121.862 120.400 0.040 0.000 2.065 239 K HA -0.028 4.292 4.320 -0.000 0.000 0.211 239 K C 0.858 177.439 176.600 -0.030 0.000 1.025 239 K CA 0.908 57.203 56.287 0.013 0.000 0.948 239 K CB -0.239 32.276 32.500 0.025 0.000 0.798 239 K HN 0.060 nan 8.250 nan 0.000 0.450 240 E N 1.837 122.010 120.200 -0.045 0.000 2.282 240 E HA 0.100 4.450 4.350 -0.000 0.000 0.247 240 E C -1.067 175.381 176.600 -0.255 0.000 1.113 240 E CA -0.288 56.058 56.400 -0.090 0.000 1.095 240 E CB 0.270 29.964 29.700 -0.009 0.000 1.328 240 E HN 0.183 nan 8.360 nan 0.000 0.463 241 Q N 2.447 122.059 119.800 -0.313 0.000 2.597 241 Q HA -0.085 4.255 4.340 -0.000 0.000 0.291 241 Q C -1.558 174.064 176.000 -0.630 0.000 1.304 241 Q CA -0.647 54.835 55.803 -0.535 0.000 1.015 241 Q CB -0.130 28.395 28.738 -0.354 0.000 1.354 241 Q HN 0.475 nan 8.270 nan 0.000 0.477 242 P HA -0.224 nan 4.420 nan 0.000 0.218 242 P C -0.122 176.777 177.300 -0.668 0.000 1.165 242 P CA 1.549 64.009 63.100 -1.065 0.000 0.922 242 P CB 0.147 30.663 31.700 -1.973 0.000 0.794 243 F N -0.748 118.684 119.950 -0.864 0.000 2.434 243 F HA 0.552 5.079 4.527 -0.000 0.000 0.316 243 F C 1.090 176.722 175.800 -0.281 0.000 1.222 243 F CA -0.558 57.185 58.000 -0.429 0.000 1.207 243 F CB -0.152 38.698 39.000 -0.250 0.000 1.466 243 F HN -0.007 nan 8.300 nan 0.000 0.545 244 G N 0.987 109.690 108.800 -0.161 0.000 2.764 244 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 244 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 244 G C -0.437 174.393 174.900 -0.117 0.000 1.258 244 G CA -1.130 43.905 45.100 -0.109 0.000 0.846 244 G HN 0.403 nan 8.290 nan 0.000 0.596 245 E N 0.971 121.113 120.200 -0.097 0.000 2.328 245 E HA 0.399 4.749 4.350 -0.000 0.000 0.265 245 E C 1.347 177.923 176.600 -0.040 0.000 1.057 245 E CA 1.042 57.393 56.400 -0.081 0.000 0.916 245 E CB 0.632 30.295 29.700 -0.062 0.000 0.993 245 E HN 1.965 nan 8.360 nan 0.000 0.446 246 G N 2.234 111.018 108.800 -0.026 0.000 2.352 246 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.204 246 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.204 246 G C 0.346 175.278 174.900 0.052 0.000 1.004 246 G CA -0.388 44.721 45.100 0.014 0.000 0.648 246 G HN 0.438 nan 8.290 nan 0.000 0.491 247 V N 3.808 123.755 119.914 0.057 0.000 2.420 247 V HA 0.295 4.415 4.120 -0.000 0.000 0.274 247 V C -1.523 174.713 176.094 0.236 0.000 1.003 247 V CA -0.347 62.028 62.300 0.124 0.000 1.092 247 V CB 0.635 32.537 31.823 0.131 0.000 1.002 247 V HN 0.214 nan 8.190 nan 0.000 0.473 248 P HA 0.102 nan 4.420 nan 0.000 0.271 248 P C -0.167 177.203 177.300 0.115 0.000 1.226 248 P CA -0.529 62.668 63.100 0.162 0.000 0.765 248 P CB 0.486 32.227 31.700 0.070 0.000 0.835 249 L N 3.706 124.856 121.223 -0.123 0.000 2.747 249 L HA -0.081 4.259 4.340 -0.000 0.000 0.286 249 L C 0.031 176.780 176.870 -0.201 0.000 1.216 249 L CA 0.847 55.267 54.840 -0.700 0.000 0.930 249 L CB -0.768 40.472 42.059 -1.364 0.000 1.216 249 L HN 0.300 nan 8.230 nan 0.000 0.486 250 D N 3.413 123.912 120.400 0.164 0.000 2.454 250 D HA 0.386 5.026 4.640 -0.000 0.000 0.225 250 D C 1.199 177.455 176.300 -0.072 0.000 1.081 250 D CA 0.258 54.273 54.000 0.025 0.000 0.864 250 D CB 1.220 41.994 40.800 -0.044 0.000 1.040 250 D HN 0.666 nan 8.370 nan 0.000 0.517 251 G N 2.797 111.540 108.800 -0.095 0.000 2.586 251 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 251 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 251 G C 0.803 175.656 174.900 -0.078 0.000 1.128 251 G CA 0.290 45.335 45.100 -0.092 0.000 0.774 251 G HN 0.557 nan 8.290 nan 0.000 0.543 252 D N -0.296 120.054 120.400 -0.083 0.000 2.398 252 D HA 0.009 4.649 4.640 -0.000 0.000 0.210 252 D C -0.212 176.037 176.300 -0.086 0.000 1.094 252 D CA -0.101 53.859 54.000 -0.065 0.000 0.839 252 D CB 0.634 41.405 40.800 -0.048 0.000 0.963 252 D HN 0.204 nan 8.370 nan 0.000 0.506 253 D N 1.698 121.999 120.400 -0.165 0.000 2.411 253 D HA 0.091 4.730 4.640 -0.000 0.000 0.225 253 D C -1.732 174.484 176.300 -0.139 0.000 1.156 253 D CA -2.035 51.816 54.000 -0.248 0.000 0.874 253 D CB 2.005 42.419 40.800 -0.644 0.000 1.034 253 D HN -0.169 nan 8.370 nan 0.000 0.502 254 P HA -0.185 nan 4.420 nan 0.000 0.218 254 P C 0.839 178.247 177.300 0.179 0.000 1.147 254 P CA 1.196 64.359 63.100 0.106 0.000 0.827 254 P CB 0.432 32.187 31.700 0.090 0.000 0.778 255 E N -1.936 118.350 120.200 0.143 0.000 2.033 255 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 255 E C 1.993 178.867 176.600 0.457 0.000 0.979 255 E CA 0.714 57.315 56.400 0.335 0.000 0.802 255 E CB -0.497 29.476 29.700 0.455 0.000 0.763 255 E HN 0.514 nan 8.360 nan 0.000 0.449 256 H N 0.680 119.773 119.070 0.038 0.000 2.289 256 H HA -0.142 4.414 4.556 -0.000 0.000 0.296 256 H C 2.384 177.883 175.328 0.285 0.000 1.091 256 H CA 1.048 57.129 56.048 0.055 0.000 1.274 256 H CB -0.079 29.552 29.762 -0.219 0.000 1.364 256 H HN 0.107 nan 8.280 nan 0.000 0.490 257 I N 0.730 121.468 120.570 0.280 0.000 2.151 257 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 257 I C 2.694 179.028 176.117 0.362 0.000 1.080 257 I CA 1.483 62.900 61.300 0.195 0.000 1.339 257 I CB -0.230 37.785 38.000 0.024 0.000 1.039 257 I HN 0.265 nan 8.210 nan 0.000 0.409 258 Q N 0.009 120.112 119.800 0.505 0.000 2.291 258 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 258 Q C 1.766 178.130 176.000 0.608 0.000 0.976 258 Q CA 1.719 57.890 55.803 0.614 0.000 0.875 258 Q CB -0.350 28.666 28.738 0.463 0.000 0.927 258 Q HN 0.595 nan 8.270 nan 0.000 0.450 259 W N -0.478 121.079 121.300 0.428 0.000 2.526 259 W HA 0.131 4.790 4.660 -0.001 0.000 0.294 259 W C 1.484 178.203 176.519 0.334 0.000 1.181 259 W CA 0.771 58.355 57.345 0.399 0.000 1.373 259 W CB -0.143 29.633 29.460 0.527 0.000 1.112 259 W HN 0.079 nan 8.180 nan 0.000 0.545 260 I N 0.567 121.406 120.570 0.449 0.000 2.264 260 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 260 I C 2.424 178.568 176.117 0.045 0.000 1.111 260 I CA 1.544 62.938 61.300 0.156 0.000 1.382 260 I CB -0.834 37.313 38.000 0.245 0.000 1.060 260 I HN 0.030 nan 8.210 nan 0.000 0.418 261 F N 2.011 121.982 119.950 0.034 0.000 2.069 261 F HA -0.317 4.210 4.527 -0.000 0.000 0.298 261 F C 2.526 178.312 175.800 -0.024 0.000 1.113 261 F CA 2.058 60.081 58.000 0.038 0.000 1.214 261 F CB -0.685 38.419 39.000 0.172 0.000 0.978 261 F HN -0.004 nan 8.300 nan 0.000 0.474 262 Q N 1.054 120.721 119.800 -0.223 0.000 1.935 262 Q HA -0.232 4.108 4.340 -0.000 0.000 0.212 262 Q C 2.255 178.004 176.000 -0.419 0.000 1.008 262 Q CA 2.491 58.062 55.803 -0.387 0.000 0.868 262 Q CB -0.430 28.145 28.738 -0.271 0.000 0.946 262 Q HN 0.207 nan 8.270 nan 0.000 0.418 263 K N -0.097 119.991 120.400 -0.519 0.000 2.113 263 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 263 K C 2.284 178.753 176.600 -0.218 0.000 1.047 263 K CA 1.460 57.506 56.287 -0.400 0.000 0.928 263 K CB -0.727 31.419 32.500 -0.591 0.000 0.716 263 K HN 0.147 nan 8.250 nan 0.000 0.446 264 S N 1.443 117.023 115.700 -0.200 0.000 2.383 264 S HA -0.055 4.414 4.470 -0.000 0.000 0.229 264 S C 1.992 176.519 174.600 -0.121 0.000 1.030 264 S CA 0.829 58.974 58.200 -0.091 0.000 1.002 264 S CB -0.165 63.015 63.200 -0.033 0.000 0.829 264 S HN 0.223 nan 8.310 nan 0.000 0.467 265 L N 0.946 122.019 121.223 -0.250 0.000 2.141 265 L HA -0.100 4.239 4.340 -0.000 0.000 0.209 265 L C 2.426 179.214 176.870 -0.136 0.000 1.094 265 L CA 1.117 55.815 54.840 -0.237 0.000 0.763 265 L CB -0.426 41.383 42.059 -0.417 0.000 0.908 265 L HN 0.386 nan 8.230 nan 0.000 0.437 266 E N -0.134 119.990 120.200 -0.126 0.000 2.046 266 E HA -0.237 4.113 4.350 -0.000 0.000 0.190 266 E C 2.180 178.778 176.600 -0.004 0.000 0.982 266 E CA 0.876 57.237 56.400 -0.064 0.000 0.800 266 E CB -0.074 29.587 29.700 -0.065 0.000 0.756 266 E HN 0.326 nan 8.360 nan 0.000 0.449 267 R N 1.071 121.585 120.500 0.023 0.000 2.115 267 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 267 R C 2.106 178.460 176.300 0.090 0.000 1.111 267 R CA 1.262 57.419 56.100 0.094 0.000 0.976 267 R CB -0.135 30.228 30.300 0.104 0.000 0.870 267 R HN 0.132 nan 8.270 nan 0.000 0.445 268 A N -0.046 122.789 122.820 0.024 0.000 1.897 268 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 268 A C 2.138 179.739 177.584 0.028 0.000 1.181 268 A CA 1.567 53.614 52.037 0.017 0.000 0.620 268 A CB -0.371 18.620 19.000 -0.016 0.000 0.821 268 A HN 0.412 nan 8.150 nan 0.000 0.443 269 S N -0.766 114.938 115.700 0.007 0.000 2.406 269 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 269 S C 1.988 176.594 174.600 0.009 0.000 1.020 269 S CA 1.112 59.313 58.200 0.001 0.000 0.965 269 S CB -0.181 63.007 63.200 -0.020 0.000 0.798 269 S HN 0.714 nan 8.310 nan 0.000 0.488 270 Q N 0.412 120.228 119.800 0.026 0.000 1.856 270 Q HA -0.132 4.208 4.340 -0.000 0.000 0.228 270 Q C 0.936 176.925 176.000 -0.018 0.000 0.987 270 Q CA 1.614 57.410 55.803 -0.012 0.000 0.873 270 Q CB -0.373 28.370 28.738 0.008 0.000 0.928 270 Q HN 0.530 nan 8.270 nan 0.000 0.425 271 Y N 1.095 121.369 120.300 -0.043 0.000 2.822 271 Y HA -0.099 4.451 4.550 -0.000 0.000 0.318 271 Y C 0.390 176.269 175.900 -0.034 0.000 1.184 271 Y CA 0.836 58.910 58.100 -0.042 0.000 1.371 271 Y CB -0.494 37.934 38.460 -0.054 0.000 1.002 271 Y HN 0.426 nan 8.280 nan 0.000 0.529 272 N N -0.559 118.190 118.700 0.082 0.000 2.741 272 N HA -0.219 4.521 4.740 -0.000 0.000 0.250 272 N C -0.863 174.671 175.510 0.039 0.000 1.115 272 N CA 0.658 53.733 53.050 0.042 0.000 0.724 272 N CB -1.536 36.966 38.487 0.025 0.000 1.090 272 N HN 0.352 nan 8.380 nan 0.000 0.558 273 I N 1.077 121.673 120.570 0.043 0.000 2.337 273 I HA 0.109 4.279 4.170 -0.000 0.000 0.291 273 I C 0.923 177.041 176.117 0.002 0.000 1.046 273 I CA -0.244 61.063 61.300 0.012 0.000 1.324 273 I CB 0.633 38.627 38.000 -0.010 0.000 1.409 273 I HN -0.070 nan 8.210 nan 0.000 0.494 274 R N 4.182 124.681 120.500 -0.000 0.000 2.459 274 R HA 0.527 4.867 4.340 -0.000 0.000 0.281 274 R C 0.887 177.188 176.300 0.002 0.000 1.050 274 R CA 0.090 56.193 56.100 0.005 0.000 1.055 274 R CB 0.973 31.277 30.300 0.008 0.000 1.045 274 R HN 0.957 nan 8.270 nan 0.000 0.495 275 G N 0.526 109.338 108.800 0.019 0.000 2.205 275 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.180 275 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.180 275 G C -0.218 174.711 174.900 0.047 0.000 1.004 275 G CA -0.529 44.586 45.100 0.024 0.000 0.670 275 G HN 0.396 nan 8.290 nan 0.000 0.496 276 V N 2.577 122.531 119.914 0.066 0.000 2.405 276 V HA 0.551 4.670 4.120 -0.000 0.000 0.264 276 V C 0.747 176.984 176.094 0.239 0.000 1.048 276 V CA 0.733 63.104 62.300 0.118 0.000 0.966 276 V CB 0.830 32.695 31.823 0.070 0.000 1.015 276 V HN 0.346 nan 8.190 nan 0.000 0.477 277 T N 3.400 118.098 114.554 0.239 0.000 2.940 277 T HA 0.300 4.649 4.350 -0.000 0.000 0.288 277 T C 0.356 175.140 174.700 0.139 0.000 1.045 277 T CA -0.254 61.981 62.100 0.226 0.000 1.018 277 T CB 1.662 70.585 68.868 0.092 0.000 1.151 277 T HN 0.557 nan 8.240 nan 0.000 0.529 278 Y N 1.152 121.250 120.300 -0.336 0.000 2.220 278 Y HA 0.032 4.582 4.550 -0.000 0.000 0.291 278 Y C 2.691 178.454 175.900 -0.227 0.000 1.129 278 Y CA 1.414 59.105 58.100 -0.683 0.000 1.161 278 Y CB -0.011 37.983 38.460 -0.777 0.000 0.997 278 Y HN 0.525 nan 8.280 nan 0.000 0.522 279 R N -0.184 120.234 120.500 -0.138 0.000 2.081 279 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 279 R C 2.142 178.375 176.300 -0.112 0.000 1.131 279 R CA 1.671 57.700 56.100 -0.118 0.000 0.960 279 R CB -0.569 29.724 30.300 -0.013 0.000 0.856 279 R HN 0.463 nan 8.270 nan 0.000 0.436 280 L N 0.694 121.887 121.223 -0.051 0.000 2.093 280 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 280 L C 1.828 178.682 176.870 -0.028 0.000 1.085 280 L CA 1.965 56.797 54.840 -0.015 0.000 0.755 280 L CB -0.508 41.568 42.059 0.029 0.000 0.904 280 L HN 0.141 nan 8.230 nan 0.000 0.435 281 T N -0.896 113.629 114.554 -0.048 0.000 2.881 281 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 281 T C 1.766 176.396 174.700 -0.117 0.000 1.068 281 T CA 1.500 63.578 62.100 -0.037 0.000 1.131 281 T CB -0.097 68.788 68.868 0.027 0.000 0.871 281 T HN 0.509 nan 8.240 nan 0.000 0.479 282 Q N 0.108 119.781 119.800 -0.212 0.000 2.134 282 Q HA 0.113 4.453 4.340 -0.000 0.000 0.195 282 Q C 2.848 178.789 176.000 -0.098 0.000 0.958 282 Q CA 0.915 56.604 55.803 -0.190 0.000 0.840 282 Q CB -0.310 28.274 28.738 -0.256 0.000 0.918 282 Q HN 0.549 nan 8.270 nan 0.000 0.467 283 G N 0.510 109.264 108.800 -0.076 0.000 2.442 283 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 283 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 283 G C 1.480 176.374 174.900 -0.011 0.000 1.141 283 G CA 0.851 45.929 45.100 -0.036 0.000 0.763 283 G HN 0.179 nan 8.290 nan 0.000 0.554 284 V N 0.175 120.092 119.914 0.005 0.000 2.427 284 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 284 V C 2.897 179.005 176.094 0.023 0.000 1.051 284 V CA 1.344 63.672 62.300 0.047 0.000 1.048 284 V CB -0.033 31.838 31.823 0.080 0.000 0.666 284 V HN 0.260 nan 8.190 nan 0.000 0.456 285 V N -0.557 119.350 119.914 -0.013 0.000 2.300 285 V HA -0.093 4.027 4.120 -0.000 0.000 0.241 285 V C 2.045 178.110 176.094 -0.048 0.000 1.034 285 V CA 1.432 63.709 62.300 -0.038 0.000 1.021 285 V CB -0.516 31.268 31.823 -0.065 0.000 0.662 285 V HN 0.422 nan 8.190 nan 0.000 0.458 286 K N 0.087 120.456 120.400 -0.052 0.000 2.611 286 K HA 0.027 4.347 4.320 -0.000 0.000 0.193 286 K C 0.433 177.013 176.600 -0.034 0.000 1.026 286 K CA -0.160 56.099 56.287 -0.047 0.000 1.063 286 K CB -0.096 32.375 32.500 -0.048 0.000 0.839 286 K HN 0.089 nan 8.250 nan 0.000 0.505 287 R N 1.101 121.585 120.500 -0.028 0.000 3.266 287 R HA -0.169 4.171 4.340 -0.000 0.000 0.245 287 R C -0.513 175.776 176.300 -0.019 0.000 0.941 287 R CA 0.304 56.391 56.100 -0.021 0.000 0.638 287 R CB -2.352 27.933 30.300 -0.025 0.000 1.019 287 R HN 0.300 nan 8.270 nan 0.000 0.462 288 I N 0.917 121.474 120.570 -0.021 0.000 2.683 288 I HA -0.071 4.099 4.170 -0.000 0.000 0.286 288 I C 1.114 177.221 176.117 -0.018 0.000 1.175 288 I CA 0.603 61.890 61.300 -0.021 0.000 1.429 288 I CB 0.293 38.277 38.000 -0.027 0.000 1.371 288 I HN 0.146 nan 8.210 nan 0.000 0.569 289 I N 8.273 128.831 120.570 -0.019 0.000 2.354 289 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 289 I C -2.022 174.072 176.117 -0.037 0.000 0.989 289 I CA -1.873 59.414 61.300 -0.021 0.000 1.188 289 I CB 1.388 39.379 38.000 -0.015 0.000 1.342 289 I HN 0.317 nan 8.210 nan 0.000 0.457 290 P HA 0.324 nan 4.420 nan 0.000 0.271 290 P C -1.106 176.126 177.300 -0.113 0.000 1.216 290 P CA -0.153 62.900 63.100 -0.079 0.000 0.776 290 P CB 0.855 32.503 31.700 -0.085 0.000 0.881 291 A N 1.949 124.694 122.820 -0.124 0.000 2.517 291 A HA 0.642 4.962 4.320 -0.000 0.000 0.297 291 A C -0.849 176.650 177.584 -0.141 0.000 1.050 291 A CA -0.554 51.402 52.037 -0.135 0.000 0.694 291 A CB 1.290 20.242 19.000 -0.080 0.000 1.277 291 A HN 0.361 nan 8.150 nan 0.000 0.400 292 V N -0.500 119.316 119.914 -0.163 0.000 2.914 292 V HA 0.865 4.985 4.120 -0.000 0.000 0.314 292 V C 1.096 177.165 176.094 -0.040 0.000 1.084 292 V CA -0.084 62.153 62.300 -0.106 0.000 0.963 292 V CB 0.955 32.693 31.823 -0.142 0.000 1.025 292 V HN 1.823 nan 8.190 nan 0.000 0.432 293 A N 2.334 125.151 122.820 -0.004 0.000 1.841 293 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 293 A C 2.437 180.036 177.584 0.026 0.000 1.199 293 A CA 3.088 55.136 52.037 0.017 0.000 0.621 293 A CB -1.343 17.675 19.000 0.030 0.000 0.835 293 A HN 1.805 nan 8.150 nan 0.000 0.445 294 S N -0.577 115.153 115.700 0.049 0.000 2.390 294 S HA -0.291 4.179 4.470 -0.000 0.000 0.234 294 S C 1.852 176.485 174.600 0.055 0.000 1.063 294 S CA 2.488 60.726 58.200 0.063 0.000 1.108 294 S CB -1.740 61.536 63.200 0.127 0.000 0.975 294 S HN 0.555 nan 8.310 nan 0.000 0.442 295 T N 2.903 117.521 114.554 0.107 0.000 2.720 295 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 295 T C 1.809 176.499 174.700 -0.016 0.000 1.037 295 T CA 1.569 63.735 62.100 0.110 0.000 1.144 295 T CB -0.637 68.323 68.868 0.153 0.000 0.864 295 T HN 0.491 nan 8.240 nan 0.000 0.444 296 N N 1.151 119.841 118.700 -0.018 0.000 2.244 296 N HA 0.019 4.758 4.740 -0.000 0.000 0.183 296 N C 2.139 177.615 175.510 -0.057 0.000 1.016 296 N CA 1.091 54.116 53.050 -0.041 0.000 0.866 296 N CB -0.352 38.117 38.487 -0.030 0.000 0.980 296 N HN 0.429 nan 8.380 nan 0.000 0.430 297 A N 0.970 123.762 122.820 -0.047 0.000 1.877 297 A HA -0.075 4.244 4.320 -0.000 0.000 0.216 297 A C 2.554 180.063 177.584 -0.125 0.000 1.186 297 A CA 1.186 53.187 52.037 -0.060 0.000 0.620 297 A CB -0.792 18.176 19.000 -0.052 0.000 0.822 297 A HN 0.072 nan 8.150 nan 0.000 0.443 298 V N 0.571 120.368 119.914 -0.195 0.000 2.223 298 V HA -0.260 3.859 4.120 -0.000 0.000 0.244 298 V C 2.474 178.371 176.094 -0.329 0.000 1.045 298 V CA 1.965 64.054 62.300 -0.352 0.000 1.000 298 V CB -0.637 30.773 31.823 -0.689 0.000 0.635 298 V HN 0.516 nan 8.190 nan 0.000 0.445 299 I N 0.484 120.878 120.570 -0.293 0.000 2.208 299 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 299 I C 2.678 178.698 176.117 -0.161 0.000 1.097 299 I CA 2.121 63.291 61.300 -0.218 0.000 1.363 299 I CB -1.598 36.312 38.000 -0.150 0.000 1.051 299 I HN 0.347 nan 8.210 nan 0.000 0.413 300 A N 0.646 123.391 122.820 -0.124 0.000 1.972 300 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 300 A C 2.572 180.098 177.584 -0.097 0.000 1.169 300 A CA 1.802 53.783 52.037 -0.093 0.000 0.635 300 A CB -0.641 18.324 19.000 -0.058 0.000 0.810 300 A HN 0.427 nan 8.150 nan 0.000 0.446 301 A N -0.407 122.343 122.820 -0.117 0.000 1.858 301 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 301 A C 2.215 179.720 177.584 -0.131 0.000 1.190 301 A CA 1.809 53.776 52.037 -0.117 0.000 0.617 301 A CB -1.054 17.864 19.000 -0.137 0.000 0.827 301 A HN 0.413 nan 8.150 nan 0.000 0.443 302 V N -0.678 119.138 119.914 -0.163 0.000 2.332 302 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 302 V C 2.680 178.691 176.094 -0.138 0.000 1.055 302 V CA 2.131 64.331 62.300 -0.167 0.000 1.038 302 V CB -1.220 30.483 31.823 -0.199 0.000 0.651 302 V HN 0.720 nan 8.190 nan 0.000 0.450 303 C N -0.007 119.216 119.300 -0.128 0.000 2.453 303 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 303 C C 3.122 178.059 174.990 -0.088 0.000 1.262 303 C CA 0.717 59.670 59.018 -0.108 0.000 1.718 303 C CB -1.318 26.359 27.740 -0.104 0.000 2.031 303 C HN 0.639 nan 8.230 nan 0.000 0.480 304 A N 0.184 122.956 122.820 -0.080 0.000 1.883 304 A HA -0.223 4.096 4.320 -0.000 0.000 0.217 304 A C 2.185 179.767 177.584 -0.003 0.000 1.186 304 A CA 2.694 54.698 52.037 -0.054 0.000 0.624 304 A CB -1.337 17.642 19.000 -0.035 0.000 0.822 304 A HN 0.559 nan 8.150 nan 0.000 0.444 305 T N -0.019 114.511 114.554 -0.040 0.000 2.699 305 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 305 T C 1.806 176.516 174.700 0.017 0.000 1.036 305 T CA 1.626 63.697 62.100 -0.047 0.000 1.147 305 T CB -0.286 68.495 68.868 -0.144 0.000 0.862 305 T HN 0.476 nan 8.240 nan 0.000 0.446 306 E N 0.581 120.766 120.200 -0.026 0.000 2.153 306 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 306 E C 2.418 179.035 176.600 0.029 0.000 0.988 306 E CA 0.551 56.942 56.400 -0.015 0.000 0.811 306 E CB -0.470 29.194 29.700 -0.059 0.000 0.746 306 E HN 0.356 nan 8.360 nan 0.000 0.466 307 V N 0.947 120.877 119.914 0.027 0.000 2.270 307 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 307 V C 2.131 178.324 176.094 0.166 0.000 1.043 307 V CA 1.643 63.955 62.300 0.020 0.000 1.014 307 V CB -0.678 31.067 31.823 -0.129 0.000 0.645 307 V HN 0.145 nan 8.190 nan 0.000 0.447 308 F N 1.255 121.289 119.950 0.140 0.000 2.063 308 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 308 F C 2.486 178.370 175.800 0.140 0.000 1.109 308 F CA 2.188 60.338 58.000 0.251 0.000 1.212 308 F CB -0.205 38.886 39.000 0.151 0.000 0.973 308 F HN 0.019 nan 8.300 nan 0.000 0.480 309 K N 0.172 120.777 120.400 0.343 0.000 2.063 309 K HA -0.190 4.129 4.320 -0.000 0.000 0.208 309 K C 2.072 178.710 176.600 0.064 0.000 1.048 309 K CA 2.010 58.432 56.287 0.225 0.000 0.928 309 K CB -0.377 32.218 32.500 0.157 0.000 0.713 309 K HN 0.393 nan 8.250 nan 0.000 0.442 310 I N 0.636 121.229 120.570 0.039 0.000 2.353 310 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 310 I C 2.494 178.603 176.117 -0.014 0.000 1.119 310 I CA 0.804 62.096 61.300 -0.012 0.000 1.417 310 I CB -0.351 37.647 38.000 -0.002 0.000 1.078 310 I HN 0.147 nan 8.210 nan 0.000 0.421 311 A N 0.953 123.783 122.820 0.016 0.000 1.854 311 A HA -0.187 4.132 4.320 -0.000 0.000 0.214 311 A C 2.412 179.934 177.584 -0.104 0.000 1.192 311 A CA 2.275 54.313 52.037 0.002 0.000 0.611 311 A CB -1.036 18.060 19.000 0.160 0.000 0.832 311 A HN 0.472 nan 8.150 nan 0.000 0.442 312 T N -4.644 109.777 114.554 -0.221 0.000 3.067 312 T HA 0.109 4.459 4.350 -0.000 0.000 0.257 312 T C 0.971 175.706 174.700 0.059 0.000 1.105 312 T CA 1.360 63.355 62.100 -0.175 0.000 1.104 312 T CB -0.028 68.579 68.868 -0.434 0.000 0.925 312 T HN 1.313 nan 8.240 nan 0.000 0.498 313 S N -0.027 115.693 115.700 0.032 0.000 3.380 313 S HA -0.257 4.212 4.470 -0.000 0.000 0.300 313 S C 1.161 175.855 174.600 0.157 0.000 1.255 313 S CA 0.977 59.221 58.200 0.074 0.000 0.963 313 S CB -2.009 61.277 63.200 0.144 0.000 1.106 313 S HN 1.315 nan 8.310 nan 0.000 0.629 314 A N -0.785 122.086 122.820 0.084 0.000 2.239 314 A HA 0.504 4.824 4.320 -0.000 0.000 0.209 314 A C 0.494 177.864 177.584 -0.357 0.000 1.171 314 A CA 1.155 53.011 52.037 -0.301 0.000 0.768 314 A CB -0.231 18.832 19.000 0.105 0.000 0.790 314 A HN 0.951 nan 8.150 nan 0.000 0.478 315 Y N -2.958 117.340 120.300 -0.004 0.000 2.852 315 Y HA 0.398 4.947 4.550 -0.000 0.000 0.350 315 Y C -0.998 174.954 175.900 0.087 0.000 1.272 315 Y CA -1.458 56.676 58.100 0.055 0.000 1.086 315 Y CB 0.802 39.288 38.460 0.044 0.000 1.408 315 Y HN 0.015 nan 8.280 nan 0.000 0.447 316 I N 1.652 122.418 120.570 0.325 0.000 2.365 316 I HA 0.502 4.672 4.170 -0.000 0.000 0.291 316 I C -2.629 173.555 176.117 0.112 0.000 1.004 316 I CA -2.180 59.251 61.300 0.218 0.000 1.311 316 I CB 0.077 38.213 38.000 0.226 0.000 1.401 316 I HN 0.149 nan 8.210 nan 0.000 0.491 317 P HA 0.096 nan 4.420 nan 0.000 0.269 317 P C -0.462 176.829 177.300 -0.015 0.000 1.215 317 P CA -0.575 62.527 63.100 0.004 0.000 0.780 317 P CB 0.474 32.165 31.700 -0.014 0.000 0.898 318 L N 2.944 124.136 121.223 -0.051 0.000 2.654 318 L HA 0.009 4.349 4.340 -0.000 0.000 0.271 318 L C 0.355 177.186 176.870 -0.065 0.000 1.169 318 L CA 0.390 55.184 54.840 -0.077 0.000 0.947 318 L CB -1.148 40.840 42.059 -0.119 0.000 1.232 318 L HN 0.251 nan 8.230 nan 0.000 0.486 319 N N 4.314 122.984 118.700 -0.050 0.000 2.492 319 N HA -0.034 4.706 4.740 -0.000 0.000 0.262 319 N C 0.978 176.437 175.510 -0.085 0.000 1.202 319 N CA 0.073 53.102 53.050 -0.035 0.000 0.926 319 N CB 0.458 38.940 38.487 -0.008 0.000 1.078 319 N HN 0.698 nan 8.380 nan 0.000 0.454 320 N N 1.305 119.959 118.700 -0.076 0.000 1.186 320 N HA -0.344 4.396 4.740 -0.000 0.000 0.111 320 N C 0.249 175.650 175.510 -0.182 0.000 0.267 320 N CA 1.983 54.965 53.050 -0.113 0.000 0.927 320 N CB -0.936 37.509 38.487 -0.071 0.000 0.809 320 N HN 0.694 nan 8.380 nan 0.000 1.303 321 Y N 0.058 119.977 120.300 -0.635 0.000 2.654 321 Y HA 0.609 5.159 4.550 -0.000 0.000 0.327 321 Y C -0.596 174.991 175.900 -0.522 0.000 1.122 321 Y CA -1.080 56.615 58.100 -0.676 0.000 1.227 321 Y CB 1.115 38.900 38.460 -1.124 0.000 1.370 321 Y HN 0.226 nan 8.280 nan 0.000 0.528 322 L N 3.199 123.969 121.223 -0.755 0.000 2.710 322 L HA 0.519 4.859 4.340 -0.000 0.000 0.262 322 L C -1.912 174.724 176.870 -0.391 0.000 0.940 322 L CA -0.839 53.738 54.840 -0.438 0.000 0.944 322 L CB 0.952 42.805 42.059 -0.343 0.000 1.348 322 L HN 0.378 nan 8.230 nan 0.000 0.425 323 V N 2.074 121.941 119.914 -0.078 0.000 2.630 323 V HA 0.751 4.871 4.120 -0.000 0.000 0.305 323 V C -0.600 175.535 176.094 0.068 0.000 1.046 323 V CA -0.740 61.583 62.300 0.038 0.000 0.934 323 V CB 1.685 33.631 31.823 0.204 0.000 1.003 323 V HN 0.766 nan 8.190 nan 0.000 0.451 324 F N 3.000 122.912 119.950 -0.063 0.000 2.569 324 F HA 0.701 5.228 4.527 -0.000 0.000 0.312 324 F C -0.885 174.937 175.800 0.037 0.000 1.109 324 F CA -0.497 57.475 58.000 -0.047 0.000 0.919 324 F CB 1.943 40.908 39.000 -0.058 0.000 1.211 324 F HN 0.769 nan 8.300 nan 0.000 0.446 325 N N 4.616 122.869 118.700 -0.744 0.000 2.336 325 N HA 0.201 4.941 4.740 -0.000 0.000 0.290 325 N C -1.206 173.894 175.510 -0.683 0.000 1.058 325 N CA -0.347 52.396 53.050 -0.512 0.000 0.865 325 N CB 2.090 40.517 38.487 -0.100 0.000 1.581 325 N HN 0.766 nan 8.380 nan 0.000 0.480 326 D N 2.007 122.124 120.400 -0.471 0.000 2.392 326 D HA 0.022 4.662 4.640 -0.000 0.000 0.206 326 D C 2.001 178.104 176.300 -0.329 0.000 1.046 326 D CA 0.674 54.458 54.000 -0.360 0.000 0.865 326 D CB 0.728 41.412 40.800 -0.194 0.000 0.969 326 D HN 0.494 nan 8.370 nan 0.000 0.509 327 V N -0.064 119.704 119.914 -0.244 0.000 2.219 327 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 327 V C 1.152 177.136 176.094 -0.183 0.000 1.053 327 V CA 1.680 63.846 62.300 -0.224 0.000 1.009 327 V CB -0.501 31.270 31.823 -0.087 0.000 0.636 327 V HN -0.038 nan 8.190 nan 0.000 0.445 328 D N 0.571 120.891 120.400 -0.133 0.000 2.638 328 D HA 0.455 5.094 4.640 -0.000 0.000 0.245 328 D C 0.732 176.973 176.300 -0.099 0.000 1.176 328 D CA 1.030 54.965 54.000 -0.108 0.000 0.996 328 D CB 0.125 40.870 40.800 -0.092 0.000 1.012 328 D HN 0.803 nan 8.370 nan 0.000 0.515 329 G N 1.924 110.661 108.800 -0.106 0.000 2.669 329 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.250 329 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.250 329 G C -0.624 174.229 174.900 -0.078 0.000 1.247 329 G CA -0.155 44.901 45.100 -0.074 0.000 0.958 329 G HN 0.438 nan 8.290 nan 0.000 0.559 330 L N -0.431 120.773 121.223 -0.032 0.000 2.541 330 L HA 0.623 4.962 4.340 -0.000 0.000 0.266 330 L C -1.198 175.718 176.870 0.077 0.000 0.966 330 L CA -0.800 54.029 54.840 -0.019 0.000 0.871 330 L CB 2.081 44.171 42.059 0.052 0.000 1.232 330 L HN 0.755 nan 8.230 nan 0.000 0.408 331 Y N 2.614 122.821 120.300 -0.154 0.000 2.512 331 Y HA 0.771 5.321 4.550 -0.000 0.000 0.348 331 Y C -0.555 175.345 175.900 0.000 0.000 0.990 331 Y CA -0.945 57.119 58.100 -0.060 0.000 1.033 331 Y CB 2.405 40.825 38.460 -0.067 0.000 1.259 331 Y HN 0.491 nan 8.280 nan 0.000 0.461 332 T N 3.306 117.504 114.554 -0.593 0.000 3.578 332 T HA 0.293 4.642 4.350 -0.000 0.000 0.329 332 T C -1.796 172.625 174.700 -0.465 0.000 0.913 332 T CA -0.567 61.280 62.100 -0.421 0.000 1.029 332 T CB -0.018 68.818 68.868 -0.052 0.000 1.045 332 T HN 0.585 nan 8.240 nan 0.000 0.460 333 Y N 2.893 122.847 120.300 -0.577 0.000 2.335 333 Y HA 0.709 5.258 4.550 -0.000 0.000 0.323 333 Y C -0.238 175.655 175.900 -0.012 0.000 1.224 333 Y CA -0.378 57.596 58.100 -0.210 0.000 1.241 333 Y CB 1.744 40.195 38.460 -0.015 0.000 1.235 333 Y HN 0.854 nan 8.280 nan 0.000 0.492 334 T N 7.268 121.395 114.554 -0.713 0.000 2.971 334 T HA 0.585 4.935 4.350 -0.000 0.000 0.304 334 T C -1.476 172.827 174.700 -0.662 0.000 1.038 334 T CA -0.455 61.333 62.100 -0.520 0.000 1.007 334 T CB 0.827 69.516 68.868 -0.300 0.000 1.055 334 T HN 0.548 nan 8.240 nan 0.000 0.451 335 F N -0.431 119.253 119.950 -0.444 0.000 2.789 335 F HA 0.759 5.286 4.527 -0.000 0.000 0.319 335 F C -1.046 174.717 175.800 -0.063 0.000 1.168 335 F CA -1.350 56.486 58.000 -0.273 0.000 0.934 335 F CB 1.478 40.357 39.000 -0.202 0.000 1.375 335 F HN 0.470 nan 8.300 nan 0.000 0.480 336 E N 1.548 121.906 120.200 0.264 0.000 2.101 336 E HA 0.602 4.952 4.350 -0.000 0.000 0.260 336 E C -0.875 175.904 176.600 0.298 0.000 0.897 336 E CA -0.942 55.539 56.400 0.134 0.000 0.744 336 E CB 1.238 31.001 29.700 0.105 0.000 1.140 336 E HN 0.967 nan 8.360 nan 0.000 0.419 337 A N 5.102 128.031 122.820 0.182 0.000 2.492 337 A HA 0.060 4.379 4.320 -0.000 0.000 0.254 337 A C 0.179 177.850 177.584 0.144 0.000 1.091 337 A CA -0.162 52.038 52.037 0.272 0.000 0.768 337 A CB 0.263 19.334 19.000 0.119 0.000 1.028 337 A HN 0.642 nan 8.150 nan 0.000 0.498 338 E N 2.051 122.331 120.200 0.133 0.000 2.299 338 E HA -0.001 4.348 4.350 -0.000 0.000 0.272 338 E C 0.305 176.942 176.600 0.062 0.000 1.043 338 E CA -0.124 56.325 56.400 0.083 0.000 0.895 338 E CB 0.614 30.355 29.700 0.068 0.000 1.011 338 E HN 0.615 nan 8.360 nan 0.000 0.432 339 R N 4.344 124.874 120.500 0.051 0.000 2.435 339 R HA -0.012 4.327 4.340 -0.000 0.000 0.325 339 R C -0.143 176.178 176.300 0.036 0.000 1.149 339 R CA -0.060 56.064 56.100 0.041 0.000 0.995 339 R CB -0.001 30.322 30.300 0.038 0.000 1.008 339 R HN 0.280 nan 8.270 nan 0.000 0.470 340 K N 3.069 123.489 120.400 0.033 0.000 2.561 340 K HA -0.148 4.172 4.320 -0.000 0.000 0.280 340 K C 0.558 177.171 176.600 0.022 0.000 0.975 340 K CA 0.718 57.022 56.287 0.028 0.000 1.024 340 K CB 0.509 33.025 32.500 0.028 0.000 0.883 340 K HN 0.642 nan 8.250 nan 0.000 0.496 341 E N 1.188 121.401 120.200 0.021 0.000 2.442 341 E HA -0.100 4.249 4.350 -0.000 0.000 0.195 341 E C 0.356 176.959 176.600 0.005 0.000 1.030 341 E CA 0.634 57.043 56.400 0.014 0.000 0.869 341 E CB 0.051 29.761 29.700 0.016 0.000 0.857 341 E HN 0.580 nan 8.360 nan 0.000 0.505 342 N N -0.487 118.219 118.700 0.009 0.000 2.338 342 N HA 0.067 4.807 4.740 -0.000 0.000 0.251 342 N C -0.463 175.043 175.510 -0.006 0.000 1.199 342 N CA -0.423 52.629 53.050 0.004 0.000 0.879 342 N CB 0.265 38.770 38.487 0.030 0.000 1.159 342 N HN -0.086 nan 8.380 nan 0.000 0.514 343 C N 2.805 122.098 119.300 -0.011 0.000 2.633 343 C HA 0.166 4.626 4.460 -0.000 0.000 0.415 343 C C -0.317 174.638 174.990 -0.059 0.000 1.393 343 C CA -1.287 57.721 59.018 -0.017 0.000 1.700 343 C CB 0.443 28.178 27.740 -0.009 0.000 2.541 343 C HN 0.502 nan 8.230 nan 0.000 0.603 344 P HA -0.065 nan 4.420 nan 0.000 0.222 344 P C 0.982 178.205 177.300 -0.129 0.000 1.147 344 P CA 2.163 65.176 63.100 -0.145 0.000 0.790 344 P CB 0.148 31.815 31.700 -0.055 0.000 0.780 345 A N 0.301 123.076 122.820 -0.074 0.000 1.881 345 A HA -0.029 4.290 4.320 -0.000 0.000 0.210 345 A C 2.274 179.821 177.584 -0.061 0.000 1.239 345 A CA 1.325 53.322 52.037 -0.068 0.000 0.629 345 A CB -1.144 17.827 19.000 -0.049 0.000 0.906 345 A HN 0.415 nan 8.150 nan 0.000 0.460 346 C N -0.743 118.535 119.300 -0.038 0.000 2.855 346 C HA 0.546 5.006 4.460 -0.000 0.000 0.279 346 C C 1.069 176.053 174.990 -0.010 0.000 1.270 346 C CA -0.128 58.883 59.018 -0.012 0.000 1.702 346 C CB -1.657 26.089 27.740 0.009 0.000 1.949 346 C HN 0.359 nan 8.230 nan 0.000 0.618 347 S N 1.041 116.712 115.700 -0.049 0.000 2.439 347 S HA 0.189 4.659 4.470 -0.000 0.000 0.282 347 S C 1.087 175.614 174.600 -0.122 0.000 1.170 347 S CA -0.080 58.082 58.200 -0.063 0.000 1.054 347 S CB 0.685 63.845 63.200 -0.065 0.000 0.956 347 S HN 0.727 nan 8.310 nan 0.000 0.490 348 Q N 4.461 124.159 119.800 -0.169 0.000 2.152 348 Q HA -0.054 4.286 4.340 -0.000 0.000 0.206 348 Q C -0.139 175.722 176.000 -0.231 0.000 0.985 348 Q CA 1.292 56.904 55.803 -0.318 0.000 0.863 348 Q CB -0.010 28.399 28.738 -0.547 0.000 0.904 348 Q HN 0.732 nan 8.270 nan 0.000 0.422 349 L N 2.767 123.894 121.223 -0.160 0.000 2.265 349 L HA 0.368 4.708 4.340 -0.000 0.000 0.288 349 L C -2.063 174.733 176.870 -0.124 0.000 1.058 349 L CA -2.185 52.581 54.840 -0.123 0.000 0.809 349 L CB 0.901 42.911 42.059 -0.081 0.000 1.179 349 L HN 0.065 nan 8.230 nan 0.000 0.429 350 P HA -0.116 nan 4.420 nan 0.000 0.257 350 P C -0.219 176.994 177.300 -0.146 0.000 1.162 350 P CA 0.447 63.443 63.100 -0.173 0.000 0.762 350 P CB 0.306 31.937 31.700 -0.116 0.000 0.753 351 Q N 3.185 122.832 119.800 -0.254 0.000 2.540 351 Q HA 0.037 4.377 4.340 -0.000 0.000 0.256 351 Q C -0.086 175.951 176.000 0.061 0.000 1.084 351 Q CA 0.195 55.937 55.803 -0.102 0.000 0.956 351 Q CB 0.419 29.079 28.738 -0.131 0.000 1.303 351 Q HN 0.452 nan 8.270 nan 0.000 0.509 352 N N 1.748 120.550 118.700 0.171 0.000 2.384 352 N HA 0.546 5.286 4.740 -0.000 0.000 0.301 352 N C -0.739 174.951 175.510 0.300 0.000 1.133 352 N CA -0.410 52.801 53.050 0.270 0.000 0.853 352 N CB 1.435 40.137 38.487 0.358 0.000 1.241 352 N HN 0.529 nan 8.380 nan 0.000 0.502 353 I N -1.673 119.071 120.570 0.290 0.000 2.686 353 I HA 0.397 4.567 4.170 -0.000 0.000 0.295 353 I C -1.071 175.212 176.117 0.276 0.000 1.114 353 I CA -1.046 60.408 61.300 0.257 0.000 1.038 353 I CB 2.281 40.464 38.000 0.305 0.000 1.238 353 I HN -0.004 nan 8.210 nan 0.000 0.420 354 Q N 4.576 124.466 119.800 0.150 0.000 2.325 354 Q HA 0.622 4.962 4.340 -0.000 0.000 0.262 354 Q C -1.498 174.508 176.000 0.009 0.000 0.968 354 Q CA -0.177 55.696 55.803 0.117 0.000 0.877 354 Q CB 1.919 30.656 28.738 -0.001 0.000 1.253 354 Q HN 0.606 nan 8.270 nan 0.000 0.448 355 F N 0.001 119.987 119.950 0.060 0.000 2.613 355 F HA 0.358 4.885 4.527 -0.000 0.000 0.310 355 F C 0.132 176.013 175.800 0.134 0.000 1.085 355 F CA -0.884 57.158 58.000 0.071 0.000 0.945 355 F CB 1.925 40.977 39.000 0.086 0.000 1.298 355 F HN 0.352 nan 8.300 nan 0.000 0.455 356 S N 1.422 117.253 115.700 0.219 0.000 2.475 356 S HA 0.378 4.848 4.470 -0.000 0.000 0.281 356 S C -2.357 172.263 174.600 0.033 0.000 1.198 356 S CA -1.340 56.916 58.200 0.093 0.000 1.063 356 S CB 1.516 64.728 63.200 0.020 0.000 0.972 356 S HN 0.352 nan 8.310 nan 0.000 0.486 357 P HA -0.157 nan 4.420 nan 0.000 0.225 357 P C 1.400 178.575 177.300 -0.209 0.000 1.141 357 P CA 1.282 64.085 63.100 -0.495 0.000 0.774 357 P CB -0.104 31.077 31.700 -0.865 0.000 0.760 358 S N -1.130 114.510 115.700 -0.101 0.000 2.377 358 S HA 0.081 4.551 4.470 -0.000 0.000 0.223 358 S C 1.279 175.875 174.600 -0.006 0.000 1.030 358 S CA 0.237 58.405 58.200 -0.054 0.000 0.970 358 S CB -1.167 62.011 63.200 -0.038 0.000 0.830 358 S HN 0.160 nan 8.310 nan 0.000 0.473 359 A N 2.863 125.712 122.820 0.048 0.000 2.591 359 A HA 0.162 4.482 4.320 -0.000 0.000 0.244 359 A C 0.444 178.074 177.584 0.076 0.000 1.031 359 A CA 0.143 52.245 52.037 0.110 0.000 0.767 359 A CB -0.260 18.912 19.000 0.288 0.000 0.942 359 A HN 0.606 nan 8.150 nan 0.000 0.514 360 K N 1.498 121.928 120.400 0.050 0.000 2.149 360 K HA 0.169 4.488 4.320 -0.000 0.000 0.245 360 K C 1.148 177.751 176.600 0.006 0.000 1.024 360 K CA -0.695 55.599 56.287 0.011 0.000 0.899 360 K CB 0.314 32.810 32.500 -0.005 0.000 1.038 360 K HN 0.551 nan 8.250 nan 0.000 0.496 361 L N 1.701 122.899 121.223 -0.041 0.000 1.989 361 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 361 L C 2.177 179.006 176.870 -0.068 0.000 1.071 361 L CA 1.813 56.607 54.840 -0.077 0.000 0.749 361 L CB -0.584 41.410 42.059 -0.107 0.000 0.890 361 L HN 0.584 nan 8.230 nan 0.000 0.431 362 Q N -0.202 119.545 119.800 -0.088 0.000 2.366 362 Q HA -0.316 4.024 4.340 -0.000 0.000 0.214 362 Q C 2.133 178.149 176.000 0.027 0.000 0.994 362 Q CA 1.979 57.741 55.803 -0.069 0.000 0.909 362 Q CB -0.193 28.505 28.738 -0.067 0.000 0.918 362 Q HN 0.686 nan 8.270 nan 0.000 0.436 363 E N -0.788 119.460 120.200 0.080 0.000 2.208 363 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 363 E C 1.810 178.634 176.600 0.374 0.000 0.988 363 E CA 0.717 57.245 56.400 0.212 0.000 0.828 363 E CB 0.402 30.261 29.700 0.265 0.000 0.763 363 E HN 0.169 nan 8.360 nan 0.000 0.478 364 V N 1.008 121.022 119.914 0.167 0.000 2.446 364 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 364 V C 2.322 178.495 176.094 0.132 0.000 1.039 364 V CA 1.008 63.338 62.300 0.050 0.000 1.045 364 V CB -0.497 31.095 31.823 -0.385 0.000 0.681 364 V HN 0.266 nan 8.190 nan 0.000 0.459 365 L N 0.917 122.172 121.223 0.054 0.000 1.956 365 L HA -0.239 4.100 4.340 -0.000 0.000 0.216 365 L C 2.112 179.032 176.870 0.084 0.000 1.073 365 L CA 2.495 57.371 54.840 0.061 0.000 0.762 365 L CB -0.932 41.157 42.059 0.050 0.000 0.889 365 L HN 0.254 nan 8.230 nan 0.000 0.433 366 D N -1.746 118.715 120.400 0.101 0.000 2.133 366 D HA -0.272 4.367 4.640 -0.000 0.000 0.195 366 D C 1.954 178.328 176.300 0.125 0.000 0.997 366 D CA 1.676 55.734 54.000 0.098 0.000 0.840 366 D CB -0.341 40.516 40.800 0.096 0.000 0.947 366 D HN 0.590 nan 8.370 nan 0.000 0.452 367 Y N 1.374 121.722 120.300 0.079 0.000 2.070 367 Y HA -0.228 4.321 4.550 -0.000 0.000 0.280 367 Y C 2.135 178.060 175.900 0.042 0.000 1.148 367 Y CA 1.549 59.699 58.100 0.082 0.000 1.125 367 Y CB -0.771 37.805 38.460 0.193 0.000 0.975 367 Y HN -0.034 nan 8.280 nan 0.000 0.492 368 L N -0.633 120.447 121.223 -0.238 0.000 2.021 368 L HA -0.320 4.020 4.340 -0.000 0.000 0.215 368 L C 2.308 179.050 176.870 -0.213 0.000 1.074 368 L CA 2.171 56.807 54.840 -0.339 0.000 0.760 368 L CB -1.305 40.641 42.059 -0.189 0.000 0.889 368 L HN 0.285 nan 8.230 nan 0.000 0.433 369 T N -0.684 113.809 114.554 -0.101 0.000 2.770 369 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 369 T C 1.607 176.272 174.700 -0.058 0.000 1.039 369 T CA 1.302 63.369 62.100 -0.055 0.000 1.142 369 T CB -0.184 68.680 68.868 -0.007 0.000 0.868 369 T HN 0.334 nan 8.240 nan 0.000 0.435 370 N N 1.077 119.747 118.700 -0.050 0.000 2.422 370 N HA 0.101 4.841 4.740 -0.000 0.000 0.181 370 N C 0.714 176.194 175.510 -0.051 0.000 1.080 370 N CA 0.049 53.081 53.050 -0.029 0.000 0.893 370 N CB 0.042 38.535 38.487 0.011 0.000 0.973 370 N HN 0.210 nan 8.380 nan 0.000 0.456 371 S N 0.466 116.082 115.700 -0.140 0.000 2.552 371 S HA 0.232 4.702 4.470 -0.000 0.000 0.289 371 S C 1.403 175.958 174.600 -0.076 0.000 1.304 371 S CA -0.236 57.871 58.200 -0.155 0.000 1.063 371 S CB 0.920 63.849 63.200 -0.450 0.000 0.848 371 S HN 0.361 nan 8.310 nan 0.000 0.499 372 A N 3.810 126.618 122.820 -0.020 0.000 2.019 372 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 372 A C 2.284 179.866 177.584 -0.003 0.000 1.164 372 A CA 1.888 53.924 52.037 -0.001 0.000 0.644 372 A CB -0.756 18.256 19.000 0.020 0.000 0.805 372 A HN 1.108 nan 8.150 nan 0.000 0.449 373 S N -1.374 114.323 115.700 -0.004 0.000 2.492 373 S HA 0.227 4.697 4.470 -0.000 0.000 0.218 373 S C 1.666 176.262 174.600 -0.007 0.000 1.016 373 S CA 0.512 58.717 58.200 0.008 0.000 0.916 373 S CB -0.310 62.912 63.200 0.036 0.000 0.791 373 S HN 0.403 nan 8.310 nan 0.000 0.513 374 L N 0.269 121.464 121.223 -0.046 0.000 2.189 374 L HA 0.245 4.585 4.340 -0.000 0.000 0.199 374 L C 1.134 177.974 176.870 -0.051 0.000 1.074 374 L CA 0.357 55.170 54.840 -0.044 0.000 0.783 374 L CB -0.901 41.089 42.059 -0.115 0.000 0.955 374 L HN 0.226 nan 8.230 nan 0.000 0.460 375 Q N 0.670 120.425 119.800 -0.076 0.000 2.408 375 Q HA -0.212 4.128 4.340 -0.000 0.000 0.290 375 Q C -0.182 175.790 176.000 -0.045 0.000 1.221 375 Q CA 0.401 56.169 55.803 -0.058 0.000 0.895 375 Q CB -1.302 27.406 28.738 -0.050 0.000 1.241 375 Q HN 0.471 nan 8.270 nan 0.000 0.494 376 M N -0.237 119.336 119.600 -0.045 0.000 2.245 376 M HA 0.016 4.496 4.480 -0.000 0.000 0.330 376 M C 1.502 177.790 176.300 -0.020 0.000 1.098 376 M CA 0.766 56.053 55.300 -0.022 0.000 1.172 376 M CB 0.529 33.119 32.600 -0.016 0.000 1.467 376 M HN 0.145 nan 8.290 nan 0.000 0.454 377 K N 0.824 121.219 120.400 -0.009 0.000 2.063 377 K HA 0.010 4.329 4.320 -0.000 0.000 0.204 377 K C 0.477 177.076 176.600 -0.002 0.000 1.039 377 K CA 0.900 57.182 56.287 -0.007 0.000 0.957 377 K CB 0.344 32.841 32.500 -0.005 0.000 0.764 377 K HN 0.604 nan 8.250 nan 0.000 0.447 378 S N 1.942 117.639 115.700 -0.004 0.000 2.440 378 S HA 0.319 4.788 4.470 -0.000 0.000 0.142 378 S C -2.830 171.756 174.600 -0.023 0.000 1.578 378 S CA -1.498 56.696 58.200 -0.011 0.000 1.260 378 S CB 0.949 64.135 63.200 -0.023 0.000 1.407 378 S HN 0.109 nan 8.310 nan 0.000 0.392 379 P HA 0.468 nan 4.420 nan 0.000 0.272 379 P C -0.796 176.484 177.300 -0.033 0.000 1.230 379 P CA -0.318 62.776 63.100 -0.011 0.000 0.788 379 P CB 1.043 32.739 31.700 -0.005 0.000 0.949 380 A N 2.585 125.388 122.820 -0.029 0.000 2.365 380 A HA 0.743 5.063 4.320 -0.000 0.000 0.318 380 A C -0.489 177.094 177.584 -0.001 0.000 1.091 380 A CA -0.858 51.151 52.037 -0.046 0.000 0.763 380 A CB 0.853 19.819 19.000 -0.057 0.000 1.248 380 A HN 0.463 nan 8.150 nan 0.000 0.442 381 I N 1.860 122.444 120.570 0.023 0.000 2.498 381 I HA 0.605 4.774 4.170 -0.000 0.000 0.290 381 I C 0.225 176.355 176.117 0.022 0.000 1.032 381 I CA -0.395 60.916 61.300 0.019 0.000 1.073 381 I CB 2.599 40.606 38.000 0.012 0.000 1.251 381 I HN 0.832 nan 8.210 nan 0.000 0.426 382 T N 2.175 116.735 114.554 0.011 0.000 2.812 382 T HA 0.960 5.310 4.350 -0.000 0.000 0.294 382 T C -0.849 173.851 174.700 -0.000 0.000 1.159 382 T CA -0.817 61.288 62.100 0.008 0.000 1.008 382 T CB 2.438 71.311 68.868 0.009 0.000 1.289 382 T HN 0.900 nan 8.240 nan 0.000 0.514 383 A N 0.219 123.037 122.820 -0.003 0.000 2.601 383 A HA 0.700 5.020 4.320 -0.000 0.000 0.291 383 A C -0.461 177.118 177.584 -0.008 0.000 1.075 383 A CA -0.926 51.104 52.037 -0.012 0.000 0.671 383 A CB 0.985 19.971 19.000 -0.024 0.000 1.277 383 A HN 0.875 nan 8.150 nan 0.000 0.417 384 T N 2.333 116.880 114.554 -0.012 0.000 2.782 384 T HA 0.436 4.786 4.350 -0.000 0.000 0.298 384 T C 0.857 175.553 174.700 -0.007 0.000 0.944 384 T CA 0.254 62.349 62.100 -0.009 0.000 1.001 384 T CB -0.667 68.195 68.868 -0.011 0.000 0.932 384 T HN 0.428 nan 8.240 nan 0.000 0.524 385 L N 2.184 123.406 121.223 -0.002 0.000 2.543 385 L HA 0.399 4.739 4.340 -0.000 0.000 0.181 385 L C 1.975 178.847 176.870 0.003 0.000 1.437 385 L CA -0.452 54.389 54.840 0.002 0.000 3.059 385 L CB -0.536 41.526 42.059 0.005 0.000 2.916 385 L HN 0.502 nan 8.230 nan 0.000 1.037 386 E N 0.699 120.902 120.200 0.005 0.000 2.127 386 E HA 0.336 4.686 4.350 -0.000 0.000 0.295 386 E C 0.963 177.565 176.600 0.004 0.000 1.155 386 E CA 0.660 57.063 56.400 0.005 0.000 1.201 386 E CB -1.311 28.393 29.700 0.006 0.000 1.083 386 E HN 0.701 nan 8.360 nan 0.000 0.472 387 G N 1.586 110.388 108.800 0.003 0.000 3.548 387 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.224 387 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.224 387 G C 0.741 175.642 174.900 0.001 0.000 1.351 387 G CA 0.635 45.736 45.100 0.002 0.000 0.905 387 G HN 0.880 nan 8.290 nan 0.000 0.561 388 K N 2.299 122.700 120.400 0.002 0.000 2.156 388 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 388 K C -0.294 176.307 176.600 0.002 0.000 0.995 388 K CA -0.455 55.833 56.287 0.002 0.000 0.890 388 K CB 1.033 33.534 32.500 0.002 0.000 1.073 388 K HN 0.558 nan 8.250 nan 0.000 0.454 389 N N 3.972 122.673 118.700 0.001 0.000 2.442 389 N HA 0.051 4.791 4.740 -0.000 0.000 0.265 389 N C -0.545 174.966 175.510 0.003 0.000 1.138 389 N CA -0.380 52.671 53.050 0.001 0.000 0.956 389 N CB 1.329 39.816 38.487 -0.000 0.000 1.067 389 N HN 0.576 nan 8.380 nan 0.000 0.474 390 R N 0.949 121.452 120.500 0.005 0.000 2.691 390 R HA 0.339 4.679 4.340 -0.000 0.000 0.259 390 R C -0.689 175.618 176.300 0.011 0.000 1.048 390 R CA -0.495 55.609 56.100 0.008 0.000 1.086 390 R CB 1.006 31.311 30.300 0.010 0.000 1.166 390 R HN 0.464 nan 8.270 nan 0.000 0.526 391 T N 3.527 118.089 114.554 0.014 0.000 2.727 391 T HA 0.174 4.523 4.350 -0.000 0.000 0.298 391 T C 0.940 175.664 174.700 0.040 0.000 0.942 391 T CA -0.478 61.634 62.100 0.020 0.000 0.997 391 T CB 0.968 69.842 68.868 0.011 0.000 0.917 391 T HN 0.382 nan 8.240 nan 0.000 0.487 392 L N 2.939 124.192 121.223 0.050 0.000 2.109 392 L HA 0.215 4.555 4.340 -0.000 0.000 0.207 392 L C 0.201 177.170 176.870 0.165 0.000 1.086 392 L CA 1.315 56.198 54.840 0.071 0.000 0.760 392 L CB -0.469 41.615 42.059 0.041 0.000 0.910 392 L HN 0.663 nan 8.230 nan 0.000 0.437 393 Y N -1.480 118.809 120.300 -0.019 0.000 2.565 393 Y HA 0.555 5.105 4.550 -0.000 0.000 0.330 393 Y C -1.810 174.083 175.900 -0.012 0.000 1.150 393 Y CA -2.079 56.011 58.100 -0.015 0.000 1.055 393 Y CB 1.370 39.819 38.460 -0.019 0.000 1.337 393 Y HN -0.201 nan 8.280 nan 0.000 0.457 394 L N 4.445 125.337 121.223 -0.551 0.000 2.611 394 L HA 0.424 4.764 4.340 -0.000 0.000 0.260 394 L C -0.737 175.797 176.870 -0.561 0.000 0.924 394 L CA 0.068 54.641 54.840 -0.445 0.000 0.901 394 L CB 2.274 44.223 42.059 -0.184 0.000 1.369 394 L HN 0.824 nan 8.230 nan 0.000 0.415 395 Q N 1.081 120.608 119.800 -0.456 0.000 2.378 395 Q HA 0.051 4.391 4.340 -0.000 0.000 0.229 395 Q C 1.605 177.511 176.000 -0.156 0.000 0.882 395 Q CA 0.692 56.307 55.803 -0.312 0.000 0.936 395 Q CB 0.720 29.303 28.738 -0.259 0.000 1.092 395 Q HN 0.852 nan 8.270 nan 0.000 0.535 396 S N 0.623 116.246 115.700 -0.128 0.000 2.380 396 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 396 S C 0.960 175.522 174.600 -0.063 0.000 1.050 396 S CA 1.049 59.204 58.200 -0.075 0.000 1.100 396 S CB -0.100 63.065 63.200 -0.059 0.000 0.984 396 S HN 0.165 nan 8.310 nan 0.000 0.434 397 V N 2.459 122.333 119.914 -0.067 0.000 2.364 397 V HA 0.211 4.331 4.120 -0.000 0.000 0.272 397 V C 1.594 177.661 176.094 -0.046 0.000 1.036 397 V CA 0.269 62.540 62.300 -0.048 0.000 0.880 397 V CB 0.868 32.667 31.823 -0.039 0.000 0.991 397 V HN 0.761 nan 8.190 nan 0.000 0.460 398 T N 1.592 116.127 114.554 -0.031 0.000 2.737 398 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 398 T C 1.990 176.683 174.700 -0.012 0.000 1.040 398 T CA 1.864 63.952 62.100 -0.019 0.000 1.142 398 T CB -0.321 68.541 68.868 -0.010 0.000 0.861 398 T HN 0.752 nan 8.240 nan 0.000 0.456 399 S N 2.723 118.416 115.700 -0.012 0.000 2.336 399 S HA -0.031 4.439 4.470 -0.000 0.000 0.214 399 S C 2.107 176.704 174.600 -0.004 0.000 1.032 399 S CA 1.123 59.320 58.200 -0.005 0.000 1.001 399 S CB -1.089 62.107 63.200 -0.006 0.000 0.953 399 S HN 0.538 nan 8.310 nan 0.000 0.430 400 I N 2.676 123.238 120.570 -0.013 0.000 2.315 400 I HA -0.228 3.941 4.170 -0.000 0.000 0.251 400 I C 2.890 179.001 176.117 -0.010 0.000 1.125 400 I CA 1.912 63.205 61.300 -0.013 0.000 1.392 400 I CB -0.653 37.331 38.000 -0.027 0.000 1.065 400 I HN 0.476 nan 8.210 nan 0.000 0.424 401 E N 1.863 122.046 120.200 -0.029 0.000 2.038 401 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 401 E C 1.844 178.482 176.600 0.063 0.000 1.000 401 E CA 1.870 58.254 56.400 -0.026 0.000 0.803 401 E CB -0.237 29.436 29.700 -0.046 0.000 0.750 401 E HN 0.505 nan 8.360 nan 0.000 0.448 402 E N 0.248 120.475 120.200 0.044 0.000 2.023 402 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 402 E C 2.353 178.987 176.600 0.057 0.000 1.003 402 E CA 1.303 57.734 56.400 0.052 0.000 0.809 402 E CB -0.274 29.445 29.700 0.031 0.000 0.755 402 E HN 0.238 nan 8.360 nan 0.000 0.449 403 R N 0.172 120.697 120.500 0.042 0.000 2.261 403 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 403 R C 2.103 178.437 176.300 0.056 0.000 1.141 403 R CA 1.672 57.795 56.100 0.039 0.000 1.001 403 R CB -0.261 30.055 30.300 0.027 0.000 0.866 403 R HN 0.354 nan 8.270 nan 0.000 0.468 404 T N -3.521 111.088 114.554 0.093 0.000 2.959 404 T HA 0.115 4.465 4.350 -0.000 0.000 0.254 404 T C 1.633 176.439 174.700 0.176 0.000 1.003 404 T CA -0.427 61.753 62.100 0.135 0.000 0.950 404 T CB 0.159 69.127 68.868 0.168 0.000 1.090 404 T HN 0.087 nan 8.240 nan 0.000 0.503 405 R N 2.122 122.748 120.500 0.210 0.000 2.113 405 R HA -0.104 4.236 4.340 -0.000 0.000 0.244 405 R C -0.919 175.371 176.300 -0.016 0.000 1.142 405 R CA 2.070 58.258 56.100 0.146 0.000 0.953 405 R CB -1.335 29.055 30.300 0.151 0.000 0.860 405 R HN 0.313 nan 8.270 nan 0.000 0.438 406 P HA -0.179 nan 4.420 nan 0.000 0.216 406 P C 0.567 177.842 177.300 -0.041 0.000 1.157 406 P CA 1.310 64.401 63.100 -0.015 0.000 0.880 406 P CB -0.295 31.407 31.700 0.004 0.000 0.791 407 N N -0.625 118.057 118.700 -0.031 0.000 2.586 407 N HA -0.124 4.615 4.740 -0.000 0.000 0.191 407 N C 1.388 176.840 175.510 -0.097 0.000 1.085 407 N CA 0.683 53.708 53.050 -0.042 0.000 0.921 407 N CB -0.486 37.996 38.487 -0.009 0.000 0.954 407 N HN 0.210 nan 8.380 nan 0.000 0.448 408 L N -0.456 120.667 121.223 -0.166 0.000 2.376 408 L HA -0.026 4.314 4.340 -0.000 0.000 0.219 408 L C 1.828 178.621 176.870 -0.129 0.000 1.133 408 L CA 0.478 55.181 54.840 -0.228 0.000 0.816 408 L CB 0.020 41.858 42.059 -0.368 0.000 0.933 408 L HN 0.055 nan 8.230 nan 0.000 0.449 409 S N -1.282 114.367 115.700 -0.085 0.000 2.470 409 S HA 0.051 4.521 4.470 -0.000 0.000 0.222 409 S C 0.681 175.256 174.600 -0.041 0.000 1.024 409 S CA 0.095 58.263 58.200 -0.053 0.000 0.931 409 S CB 0.177 63.353 63.200 -0.039 0.000 0.791 409 S HN 0.273 nan 8.310 nan 0.000 0.513 410 K N 3.007 123.382 120.400 -0.043 0.000 2.401 410 K HA 0.127 4.447 4.320 -0.000 0.000 0.278 410 K C 0.596 177.177 176.600 -0.030 0.000 1.018 410 K CA 0.080 56.348 56.287 -0.031 0.000 0.981 410 K CB 0.476 32.961 32.500 -0.026 0.000 0.933 410 K HN 0.330 nan 8.250 nan 0.000 0.477 411 T N -0.482 114.057 114.554 -0.024 0.000 2.788 411 T HA 0.192 4.542 4.350 -0.000 0.000 0.280 411 T C 1.695 176.386 174.700 -0.015 0.000 0.984 411 T CA -0.849 61.239 62.100 -0.020 0.000 0.972 411 T CB 0.523 69.374 68.868 -0.028 0.000 1.039 411 T HN 0.425 nan 8.240 nan 0.000 0.530 412 L N 0.314 121.536 121.223 -0.001 0.000 1.933 412 L HA -0.129 4.211 4.340 -0.000 0.000 0.220 412 L C 3.049 179.943 176.870 0.039 0.000 1.078 412 L CA 1.669 56.540 54.840 0.052 0.000 0.773 412 L CB -0.917 41.245 42.059 0.172 0.000 0.890 412 L HN 0.706 nan 8.230 nan 0.000 0.434 413 K N 0.578 120.944 120.400 -0.056 0.000 2.015 413 K HA -0.285 4.034 4.320 -0.000 0.000 0.216 413 K C 1.958 178.547 176.600 -0.018 0.000 1.052 413 K CA 2.107 58.358 56.287 -0.059 0.000 0.937 413 K CB -0.480 31.924 32.500 -0.160 0.000 0.719 413 K HN 0.356 nan 8.250 nan 0.000 0.446 414 E N 0.383 120.563 120.200 -0.032 0.000 2.108 414 E HA -0.228 4.122 4.350 -0.000 0.000 0.203 414 E C 1.385 177.981 176.600 -0.007 0.000 1.022 414 E CA 2.010 58.398 56.400 -0.020 0.000 0.823 414 E CB -0.143 29.542 29.700 -0.024 0.000 0.744 414 E HN 0.279 nan 8.360 nan 0.000 0.456 415 L N -2.252 118.971 121.223 -0.001 0.000 2.688 415 L HA 0.479 4.819 4.340 -0.000 0.000 0.234 415 L C 0.998 177.877 176.870 0.015 0.000 1.192 415 L CA 0.659 55.501 54.840 0.004 0.000 0.984 415 L CB 0.111 42.169 42.059 -0.001 0.000 1.232 415 L HN 0.154 nan 8.230 nan 0.000 0.465 416 G N -0.192 108.621 108.800 0.022 0.000 2.136 416 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 416 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 416 G C 0.050 174.982 174.900 0.054 0.000 0.989 416 G CA 0.168 45.288 45.100 0.032 0.000 0.682 416 G HN 0.372 nan 8.290 nan 0.000 0.522 417 L N 1.889 123.164 121.223 0.086 0.000 2.433 417 L HA 0.350 4.689 4.340 -0.000 0.000 0.284 417 L C 1.660 178.660 176.870 0.216 0.000 1.120 417 L CA -0.416 54.502 54.840 0.129 0.000 0.879 417 L CB 0.384 42.547 42.059 0.173 0.000 1.232 417 L HN 0.320 nan 8.230 nan 0.000 0.454 418 V N 0.424 120.403 119.914 0.109 0.000 3.503 418 V HA 0.221 4.340 4.120 -0.000 0.000 0.300 418 V C 0.020 176.134 176.094 0.032 0.000 1.099 418 V CA -0.525 61.842 62.300 0.111 0.000 1.117 418 V CB 1.260 33.108 31.823 0.041 0.000 1.122 418 V HN 0.679 nan 8.190 nan 0.000 0.476 419 D N -0.666 119.741 120.400 0.011 0.000 2.384 419 D HA 0.616 5.256 4.640 -0.000 0.000 0.250 419 D C 1.005 177.194 176.300 -0.186 0.000 1.029 419 D CA 0.470 54.314 54.000 -0.259 0.000 0.990 419 D CB 1.430 42.213 40.800 -0.028 0.000 1.175 419 D HN 1.387 nan 8.370 nan 0.000 0.532 420 G N 0.311 108.968 108.800 -0.237 0.000 2.196 420 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.268 420 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.268 420 G C 0.086 174.897 174.900 -0.149 0.000 0.975 420 G CA 1.095 46.126 45.100 -0.114 0.000 0.648 420 G HN 0.746 nan 8.290 nan 0.000 0.538 421 Q N 0.292 119.968 119.800 -0.207 0.000 2.230 421 Q HA 0.628 4.968 4.340 -0.000 0.000 0.248 421 Q C 0.116 176.006 176.000 -0.182 0.000 0.915 421 Q CA -0.452 55.257 55.803 -0.157 0.000 0.900 421 Q CB 1.082 29.744 28.738 -0.126 0.000 1.229 421 Q HN 0.647 nan 8.270 nan 0.000 0.439 422 E N 3.201 123.333 120.200 -0.114 0.000 2.202 422 E HA 0.497 4.847 4.350 -0.000 0.000 0.272 422 E C -0.950 175.624 176.600 -0.043 0.000 0.951 422 E CA -0.822 55.529 56.400 -0.082 0.000 0.813 422 E CB 1.226 30.895 29.700 -0.052 0.000 1.151 422 E HN 0.601 nan 8.360 nan 0.000 0.398 423 L N 0.911 122.131 121.223 -0.004 0.000 2.376 423 L HA 0.725 5.065 4.340 -0.000 0.000 0.267 423 L C -0.110 176.803 176.870 0.070 0.000 1.035 423 L CA -1.429 53.419 54.840 0.012 0.000 0.800 423 L CB 1.325 43.373 42.059 -0.018 0.000 1.290 423 L HN 0.717 nan 8.230 nan 0.000 0.462 424 A N 0.809 123.662 122.820 0.056 0.000 2.310 424 A HA 0.656 4.976 4.320 -0.000 0.000 0.304 424 A C -0.822 176.813 177.584 0.084 0.000 1.231 424 A CA -0.420 51.660 52.037 0.072 0.000 0.799 424 A CB 1.062 20.082 19.000 0.034 0.000 1.162 424 A HN 0.342 nan 8.150 nan 0.000 0.486 425 V N 2.213 122.219 119.914 0.153 0.000 2.398 425 V HA 0.695 4.814 4.120 -0.000 0.000 0.286 425 V C 0.478 176.632 176.094 0.102 0.000 1.026 425 V CA -0.068 62.309 62.300 0.127 0.000 0.868 425 V CB 1.292 33.235 31.823 0.200 0.000 0.982 425 V HN 1.124 nan 8.190 nan 0.000 0.443 426 A N 3.814 126.666 122.820 0.053 0.000 2.365 426 A HA 0.850 5.170 4.320 -0.000 0.000 0.318 426 A C -0.987 176.615 177.584 0.031 0.000 1.091 426 A CA -0.452 51.608 52.037 0.039 0.000 0.763 426 A CB 1.692 20.707 19.000 0.024 0.000 1.248 426 A HN 0.769 nan 8.150 nan 0.000 0.442 427 D N 0.518 120.941 120.400 0.038 0.000 2.570 427 D HA 0.422 5.062 4.640 -0.000 0.000 0.244 427 D C 0.449 176.785 176.300 0.060 0.000 1.178 427 D CA -0.372 53.650 54.000 0.036 0.000 0.881 427 D CB 1.988 42.809 40.800 0.036 0.000 1.453 427 D HN 0.164 nan 8.370 nan 0.000 0.447 428 V N 1.068 121.017 119.914 0.058 0.000 3.510 428 V HA -0.002 4.118 4.120 -0.000 0.000 0.270 428 V C 1.793 177.973 176.094 0.144 0.000 1.201 428 V CA 1.428 63.782 62.300 0.091 0.000 1.166 428 V CB -0.666 31.184 31.823 0.044 0.000 0.825 428 V HN 0.589 nan 8.190 nan 0.000 0.484 429 T N -0.766 113.852 114.554 0.108 0.000 2.781 429 T HA -0.028 4.322 4.350 -0.000 0.000 0.252 429 T C 1.079 175.856 174.700 0.129 0.000 1.039 429 T CA 1.602 63.766 62.100 0.108 0.000 1.147 429 T CB 0.092 68.985 68.868 0.042 0.000 0.865 429 T HN 0.534 nan 8.240 nan 0.000 0.423 430 T N 2.021 116.595 114.554 0.034 0.000 2.888 430 T HA 0.360 4.710 4.350 -0.000 0.000 0.284 430 T C -1.958 172.637 174.700 -0.174 0.000 1.017 430 T CA -2.333 59.694 62.100 -0.121 0.000 1.022 430 T CB 1.863 70.662 68.868 -0.115 0.000 1.013 430 T HN -0.097 nan 8.240 nan 0.000 0.465 431 P HA -0.019 nan 4.420 nan 0.000 0.225 431 P C 0.263 177.457 177.300 -0.177 0.000 1.156 431 P CA 0.538 63.428 63.100 -0.350 0.000 0.787 431 P CB 0.181 31.386 31.700 -0.824 0.000 0.802 432 Q N 0.844 120.529 119.800 -0.192 0.000 2.306 432 Q HA 0.339 4.679 4.340 -0.000 0.000 0.241 432 Q C -0.380 175.586 176.000 -0.058 0.000 0.948 432 Q CA -0.507 55.230 55.803 -0.110 0.000 0.886 432 Q CB -0.048 28.619 28.738 -0.118 0.000 1.227 432 Q HN -0.088 nan 8.270 nan 0.000 0.457 433 T N -0.651 113.884 114.554 -0.032 0.000 2.727 433 T HA 0.335 4.685 4.350 -0.000 0.000 0.298 433 T C 0.005 174.702 174.700 -0.006 0.000 0.942 433 T CA -0.858 61.241 62.100 -0.001 0.000 0.997 433 T CB 1.010 69.881 68.868 0.006 0.000 0.917 433 T HN 0.500 nan 8.240 nan 0.000 0.487 434 V N 5.501 125.428 119.914 0.023 0.000 2.732 434 V HA 0.568 4.688 4.120 -0.000 0.000 0.297 434 V C -0.395 175.701 176.094 0.002 0.000 1.060 434 V CA -0.837 61.445 62.300 -0.029 0.000 1.038 434 V CB 0.675 32.484 31.823 -0.024 0.000 1.003 434 V HN 0.875 nan 8.190 nan 0.000 0.481 435 L N 5.940 127.049 121.223 -0.189 0.000 2.342 435 L HA 0.635 4.975 4.340 -0.000 0.000 0.271 435 L C -1.397 175.254 176.870 -0.365 0.000 1.008 435 L CA -0.461 54.312 54.840 -0.112 0.000 0.818 435 L CB 1.864 43.869 42.059 -0.091 0.000 1.296 435 L HN 0.541 nan 8.230 nan 0.000 0.427 436 F N 0.935 120.867 119.950 -0.030 0.000 2.579 436 F HA 0.329 4.855 4.527 -0.000 0.000 0.325 436 F C 0.050 175.792 175.800 -0.096 0.000 1.162 436 F CA -0.843 57.141 58.000 -0.027 0.000 0.946 436 F CB 1.661 40.666 39.000 0.009 0.000 1.211 436 F HN 0.293 nan 8.300 nan 0.000 0.447 437 K N 4.218 124.623 120.400 0.009 0.000 2.262 437 K HA 0.369 4.689 4.320 -0.000 0.000 0.288 437 K C -0.369 175.930 176.600 -0.502 0.000 1.090 437 K CA -0.661 55.522 56.287 -0.173 0.000 0.918 437 K CB 0.360 32.803 32.500 -0.095 0.000 1.139 437 K HN 0.653 nan 8.250 nan 0.000 0.462 438 L N 5.174 126.130 121.223 -0.445 0.000 2.514 438 L HA 0.039 4.379 4.340 -0.000 0.000 0.280 438 L C -0.872 175.505 176.870 -0.822 0.000 1.223 438 L CA 0.929 55.459 54.840 -0.517 0.000 0.864 438 L CB 0.240 42.038 42.059 -0.434 0.000 1.118 438 L HN 0.648 nan 8.230 nan 0.000 0.494 439 H N 5.903 124.903 119.070 -0.117 0.000 3.108 439 H HA 0.247 4.803 4.556 -0.000 0.000 0.329 439 H C -1.051 174.307 175.328 0.051 0.000 0.978 439 H CA -0.463 55.542 56.048 -0.071 0.000 1.413 439 H CB 0.564 30.331 29.762 0.009 0.000 1.670 439 H HN 0.554 nan 8.280 nan 0.000 0.512 440 F N 3.494 123.536 119.950 0.153 0.000 2.468 440 F HA 0.159 4.686 4.527 -0.000 0.000 0.356 440 F C 0.670 176.525 175.800 0.091 0.000 1.167 440 F CA -0.005 58.060 58.000 0.109 0.000 1.135 440 F CB 0.444 39.485 39.000 0.069 0.000 1.197 440 F HN 0.324 nan 8.300 nan 0.000 0.569 441 T N 0.000 114.728 114.554 0.290 0.000 3.816 441 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 441 T CA 0.000 62.194 62.100 0.157 0.000 1.349 441 T CB 0.000 68.933 68.868 0.108 0.000 0.612 441 T HN 0.000 nan 8.240 nan 0.000 0.658