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 2rd2_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LRTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.694 174.700 -0.010 0.000 1.109 8 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 8 T CB 0.000 68.868 68.868 0.001 0.000 0.612 9 N N 0.543 119.224 118.700 -0.031 0.000 2.647 9 N HA 0.492 5.231 4.740 -0.002 0.000 0.266 9 N C 0.753 176.257 175.510 -0.009 0.000 1.373 9 N CA -0.875 52.174 53.050 -0.001 0.000 0.807 9 N CB 0.085 38.529 38.487 -0.071 0.000 1.513 9 N HN 0.525 nan 8.380 nan 0.000 0.505 10 F N -0.496 119.433 119.950 -0.036 0.000 2.154 10 F HA 0.066 4.592 4.527 -0.002 0.000 0.301 10 F C 1.310 177.055 175.800 -0.093 0.000 1.087 10 F CA 0.870 58.847 58.000 -0.039 0.000 1.274 10 F CB -0.693 38.306 39.000 -0.003 0.000 1.009 10 F HN 0.400 nan 8.300 nan 0.000 0.485 11 I N 0.404 120.390 120.570 -0.972 0.000 2.252 11 I HA -0.192 3.977 4.170 -0.002 0.000 0.245 11 I C 2.711 178.508 176.117 -0.532 0.000 1.102 11 I CA 1.291 62.082 61.300 -0.848 0.000 1.385 11 I CB -0.519 36.943 38.000 -0.897 0.000 1.064 11 I HN 0.084 nan 8.210 nan 0.000 0.414 12 R N 0.350 120.625 120.500 -0.376 0.000 2.092 12 R HA -0.158 4.181 4.340 -0.002 0.000 0.231 12 R C 2.345 178.558 176.300 -0.146 0.000 1.119 12 R CA 1.221 57.175 56.100 -0.244 0.000 0.970 12 R CB -0.181 30.068 30.300 -0.085 0.000 0.864 12 R HN 0.451 nan 8.270 nan 0.000 0.440 13 Q N 0.242 119.979 119.800 -0.106 0.000 2.084 13 Q HA -0.147 4.191 4.340 -0.002 0.000 0.202 13 Q C 2.123 178.087 176.000 -0.060 0.000 0.978 13 Q CA 1.349 57.129 55.803 -0.038 0.000 0.844 13 Q CB -0.068 28.676 28.738 0.011 0.000 0.898 13 Q HN 0.361 nan 8.270 nan 0.000 0.426 14 I N 0.594 121.091 120.570 -0.122 0.000 2.099 14 I HA -0.337 3.832 4.170 -0.002 0.000 0.239 14 I C 2.210 178.251 176.117 -0.126 0.000 1.066 14 I CA 1.318 62.547 61.300 -0.118 0.000 1.324 14 I CB -0.315 37.535 38.000 -0.249 0.000 1.037 14 I HN 0.228 nan 8.210 nan 0.000 0.401 15 I N 0.621 121.025 120.570 -0.276 0.000 2.194 15 I HA -0.355 3.814 4.170 -0.002 0.000 0.246 15 I C 2.045 178.112 176.117 -0.084 0.000 1.093 15 I CA 1.400 62.521 61.300 -0.298 0.000 1.355 15 I CB -0.616 36.981 38.000 -0.673 0.000 1.046 15 I HN 0.302 nan 8.210 nan 0.000 0.413 16 D N 0.748 121.140 120.400 -0.013 0.000 2.149 16 D HA -0.175 4.464 4.640 -0.002 0.000 0.198 16 D C 2.057 178.389 176.300 0.053 0.000 0.990 16 D CA 1.266 55.316 54.000 0.082 0.000 0.839 16 D CB -0.156 40.688 40.800 0.073 0.000 0.948 16 D HN 0.498 nan 8.370 nan 0.000 0.460 17 E N 0.604 120.821 120.200 0.029 0.000 2.006 17 E HA -0.142 4.207 4.350 -0.002 0.000 0.192 17 E C 1.717 178.344 176.600 0.045 0.000 0.993 17 E CA 0.961 57.382 56.400 0.034 0.000 0.808 17 E CB -0.077 29.642 29.700 0.030 0.000 0.764 17 E HN 0.111 nan 8.360 nan 0.000 0.449 18 D N 0.667 121.103 120.400 0.059 0.000 2.200 18 D HA -0.211 4.428 4.640 -0.002 0.000 0.192 18 D C 1.798 178.147 176.300 0.082 0.000 1.008 18 D CA 0.999 55.050 54.000 0.085 0.000 0.872 18 D CB -0.248 40.675 40.800 0.205 0.000 0.923 18 D HN 0.005 nan 8.370 nan 0.000 0.447 19 L N 0.435 121.715 121.223 0.095 0.000 1.994 19 L HA -0.113 4.226 4.340 -0.002 0.000 0.208 19 L C 2.333 179.242 176.870 0.065 0.000 1.071 19 L CA 1.736 56.636 54.840 0.100 0.000 0.745 19 L CB -1.076 41.057 42.059 0.122 0.000 0.892 19 L HN 0.018 nan 8.230 nan 0.000 0.431 20 A N -0.518 122.333 122.820 0.051 0.000 1.829 20 A HA -0.297 4.022 4.320 -0.002 0.000 0.216 20 A C 2.494 180.092 177.584 0.024 0.000 1.207 20 A CA 2.859 54.916 52.037 0.034 0.000 0.622 20 A CB -1.419 17.598 19.000 0.029 0.000 0.846 20 A HN 0.545 nan 8.150 nan 0.000 0.447 21 S N -1.233 114.478 115.700 0.018 0.000 2.407 21 S HA 0.107 4.576 4.470 -0.002 0.000 0.235 21 S C 1.663 176.261 174.600 -0.003 0.000 1.036 21 S CA 1.876 60.079 58.200 0.005 0.000 1.013 21 S CB -1.044 62.156 63.200 -0.001 0.000 0.820 21 S HN 2.342 nan 8.310 nan 0.000 0.476 22 G N 1.074 109.876 108.800 0.004 0.000 2.131 22 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.223 22 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.223 22 G C 0.527 175.401 174.900 -0.044 0.000 0.990 22 G CA 0.588 45.688 45.100 0.000 0.000 0.671 22 G HN 0.657 nan 8.290 nan 0.000 0.521 23 K N -0.563 119.777 120.400 -0.099 0.000 2.063 23 K HA -0.088 4.231 4.320 -0.002 0.000 0.208 23 K C 0.703 177.048 176.600 -0.424 0.000 1.048 23 K CA 1.307 57.425 56.287 -0.281 0.000 0.928 23 K CB -0.061 32.230 32.500 -0.349 0.000 0.713 23 K HN 0.571 nan 8.250 nan 0.000 0.442 24 H N -1.825 117.275 119.070 0.049 0.000 2.821 24 H HA 0.133 4.688 4.556 -0.002 0.000 0.373 24 H C 0.076 175.439 175.328 0.059 0.000 1.165 24 H CA -0.036 56.047 56.048 0.057 0.000 1.154 24 H CB 2.166 31.984 29.762 0.094 0.000 1.765 24 H HN 0.138 nan 8.280 nan 0.000 0.549 25 T N -2.131 112.537 114.554 0.191 0.000 3.043 25 T HA 0.249 4.598 4.350 -0.002 0.000 0.272 25 T C 0.063 174.832 174.700 0.116 0.000 0.990 25 T CA -0.120 62.053 62.100 0.122 0.000 0.897 25 T CB 0.234 69.152 68.868 0.083 0.000 1.111 25 T HN 0.471 nan 8.240 nan 0.000 0.529 26 T N 1.882 116.516 114.554 0.133 0.000 2.932 26 T HA 0.607 4.956 4.350 -0.002 0.000 0.318 26 T C -0.988 173.749 174.700 0.061 0.000 1.265 26 T CA -0.744 61.408 62.100 0.087 0.000 1.036 26 T CB 2.173 71.080 68.868 0.066 0.000 1.209 26 T HN 0.478 nan 8.240 nan 0.000 0.484 27 V N 0.304 120.233 119.914 0.025 0.000 2.513 27 V HA 0.765 4.884 4.120 -0.002 0.000 0.299 27 V C -0.988 175.114 176.094 0.014 0.000 1.035 27 V CA -0.498 61.800 62.300 -0.003 0.000 0.889 27 V CB 1.566 33.309 31.823 -0.134 0.000 0.988 27 V HN 0.985 nan 8.190 nan 0.000 0.440 28 H N 4.036 123.072 119.070 -0.056 0.000 2.970 28 H HA 0.613 5.168 4.556 -0.001 0.000 0.315 28 H C -0.087 175.202 175.328 -0.065 0.000 0.992 28 H CA 0.424 56.435 56.048 -0.063 0.000 1.363 28 H CB 1.559 31.282 29.762 -0.066 0.000 1.532 28 H HN 1.142 nan 8.280 nan 0.000 0.514 29 T N 1.819 116.463 114.554 0.150 0.000 2.889 29 T HA 0.728 5.077 4.350 -0.002 0.000 0.278 29 T C 0.129 174.833 174.700 0.007 0.000 0.995 29 T CA -1.024 61.100 62.100 0.039 0.000 0.966 29 T CB 2.361 71.184 68.868 -0.075 0.000 1.237 29 T HN 0.619 nan 8.240 nan 0.000 0.591 30 R N -0.062 120.400 120.500 -0.063 0.000 2.629 30 R HA 0.434 4.773 4.340 -0.002 0.000 0.266 30 R C -2.476 173.797 176.300 -0.045 0.000 1.051 30 R CA -0.889 55.149 56.100 -0.104 0.000 0.895 30 R CB 0.975 31.223 30.300 -0.088 0.000 1.246 30 R HN 0.687 nan 8.270 nan 0.000 0.459 31 F N 5.380 125.189 119.950 -0.236 0.000 2.325 31 F HA 0.534 5.061 4.527 -0.001 0.000 0.369 31 F C -2.215 173.485 175.800 -0.167 0.000 1.095 31 F CA -2.759 55.167 58.000 -0.123 0.000 1.082 31 F CB 1.927 40.945 39.000 0.031 0.000 1.289 31 F HN 0.349 nan 8.300 nan 0.000 0.462 32 P HA 0.274 nan 4.420 nan 0.000 0.202 32 P C -2.957 173.970 177.300 -0.621 0.000 1.869 32 P CA -1.507 61.283 63.100 -0.516 0.000 1.017 32 P CB 0.343 31.961 31.700 -0.137 0.000 1.848 33 P HA 0.174 nan 4.420 nan 0.000 0.277 33 P C -0.248 176.852 177.300 -0.334 0.000 1.240 33 P CA -0.068 62.617 63.100 -0.691 0.000 0.798 33 P CB 1.497 32.700 31.700 -0.828 0.000 0.979 34 E N 3.479 123.568 120.200 -0.184 0.000 2.227 34 E HA 0.204 4.553 4.350 -0.002 0.000 0.282 34 E C -1.916 174.671 176.600 -0.022 0.000 1.015 34 E CA -2.609 53.773 56.400 -0.030 0.000 0.823 34 E CB 0.805 30.500 29.700 -0.008 0.000 1.081 34 E HN 0.270 nan 8.360 nan 0.000 0.396 35 P HA 0.063 nan 4.420 nan 0.000 0.237 35 P C -0.878 176.429 177.300 0.012 0.000 1.788 35 P CA -0.058 63.056 63.100 0.024 0.000 1.061 35 P CB -0.334 31.324 31.700 -0.070 0.000 1.967 36 N N 1.244 119.837 118.700 -0.178 0.000 2.238 36 N HA 0.253 4.992 4.740 -0.002 0.000 0.235 36 N C 0.292 175.316 175.510 -0.809 0.000 1.209 36 N CA -0.486 52.425 53.050 -0.232 0.000 0.879 36 N CB 0.952 39.397 38.487 -0.071 0.000 1.136 36 N HN 0.284 nan 8.380 nan 0.000 0.517 37 G N -0.565 107.328 108.800 -1.512 0.000 2.315 37 G HA2 0.272 4.231 3.960 -0.002 0.000 0.294 37 G HA3 0.272 4.231 3.960 -0.002 0.000 0.294 37 G C -2.179 171.975 174.900 -1.242 0.000 1.300 37 G CA -0.854 43.170 45.100 -1.793 0.000 0.843 37 G HN -0.018 nan 8.290 nan 0.000 0.527 38 Y N -0.619 118.780 120.300 -1.502 0.000 2.354 38 Y HA 0.660 5.209 4.550 -0.002 0.000 0.322 38 Y C 0.838 176.624 175.900 -0.189 0.000 1.253 38 Y CA -0.725 57.006 58.100 -0.614 0.000 1.272 38 Y CB 1.082 39.309 38.460 -0.389 0.000 1.255 38 Y HN 0.375 nan 8.280 nan 0.000 0.500 39 L N 2.825 124.109 121.223 0.101 0.000 2.417 39 L HA 0.149 4.488 4.340 -0.002 0.000 0.268 39 L C 0.078 177.191 176.870 0.405 0.000 1.158 39 L CA -0.116 54.882 54.840 0.263 0.000 0.819 39 L CB -0.136 42.040 42.059 0.194 0.000 1.112 39 L HN 0.745 nan 8.230 nan 0.000 0.458 40 H N 0.254 119.649 119.070 0.540 0.000 2.771 40 H HA 0.377 4.932 4.556 -0.002 0.000 0.344 40 H C 0.835 176.225 175.328 0.103 0.000 1.260 40 H CA -1.158 55.000 56.048 0.183 0.000 1.276 40 H CB 0.046 29.839 29.762 0.051 0.000 1.881 40 H HN 0.400 nan 8.280 nan 0.000 0.615 41 I N 0.655 121.380 120.570 0.259 0.000 2.399 41 I HA -0.123 4.045 4.170 -0.002 0.000 0.254 41 I C 2.085 178.328 176.117 0.210 0.000 1.146 41 I CA 2.167 63.568 61.300 0.168 0.000 1.412 41 I CB -0.890 37.128 38.000 0.030 0.000 1.076 41 I HN 0.884 nan 8.210 nan 0.000 0.432 42 G N -0.947 107.945 108.800 0.154 0.000 2.404 42 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.215 42 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.215 42 G C 1.485 176.568 174.900 0.305 0.000 1.174 42 G CA 1.096 46.271 45.100 0.125 0.000 0.780 42 G HN 0.579 nan 8.290 nan 0.000 0.537 43 H N 0.581 119.967 119.070 0.527 0.000 2.422 43 H HA 0.062 4.617 4.556 -0.002 0.000 0.298 43 H C 2.860 178.259 175.328 0.119 0.000 1.098 43 H CA 0.703 56.938 56.048 0.310 0.000 1.315 43 H CB 0.126 30.018 29.762 0.216 0.000 1.382 43 H HN 0.439 nan 8.280 nan 0.000 0.523 44 A N 1.279 124.243 122.820 0.240 0.000 1.933 44 A HA -0.206 4.113 4.320 -0.002 0.000 0.218 44 A C 2.180 179.811 177.584 0.078 0.000 1.175 44 A CA 1.583 53.694 52.037 0.123 0.000 0.628 44 A CB -0.412 18.700 19.000 0.186 0.000 0.814 44 A HN 0.367 nan 8.150 nan 0.000 0.444 45 K N -0.324 120.157 120.400 0.135 0.000 2.097 45 K HA -0.147 4.172 4.320 -0.002 0.000 0.206 45 K C 2.266 178.873 176.600 0.011 0.000 1.049 45 K CA 1.654 57.987 56.287 0.077 0.000 0.933 45 K CB -0.202 32.377 32.500 0.132 0.000 0.717 45 K HN 0.422 nan 8.250 nan 0.000 0.442 46 S N 0.429 116.202 115.700 0.121 0.000 2.387 46 S HA -0.029 4.440 4.470 -0.002 0.000 0.226 46 S C 1.910 176.467 174.600 -0.072 0.000 1.026 46 S CA 0.743 59.032 58.200 0.148 0.000 0.972 46 S CB -0.163 63.314 63.200 0.462 0.000 0.814 46 S HN 0.347 nan 8.310 nan 0.000 0.477 47 I N 0.892 121.288 120.570 -0.290 0.000 2.252 47 I HA -0.196 3.973 4.170 -0.002 0.000 0.245 47 I C 2.459 178.326 176.117 -0.416 0.000 1.102 47 I CA 0.875 61.903 61.300 -0.454 0.000 1.385 47 I CB -0.485 37.150 38.000 -0.608 0.000 1.064 47 I HN 0.417 nan 8.210 nan 0.000 0.414 48 C N 0.320 119.426 119.300 -0.324 0.000 2.429 48 C HA -0.147 4.312 4.460 -0.002 0.000 0.277 48 C C 2.725 177.578 174.990 -0.229 0.000 1.262 48 C CA 0.439 59.288 59.018 -0.280 0.000 1.733 48 C CB -0.872 26.855 27.740 -0.023 0.000 2.010 48 C HN 0.473 nan 8.230 nan 0.000 0.483 49 L N 1.166 122.260 121.223 -0.215 0.000 1.970 49 L HA -0.176 4.163 4.340 -0.002 0.000 0.212 49 L C 2.442 179.184 176.870 -0.213 0.000 1.071 49 L CA 1.870 56.563 54.840 -0.245 0.000 0.751 49 L CB -0.678 41.151 42.059 -0.382 0.000 0.889 49 L HN 0.464 nan 8.230 nan 0.000 0.432 50 N N -0.423 118.162 118.700 -0.192 0.000 2.106 50 N HA -0.185 4.554 4.740 -0.002 0.000 0.188 50 N C 1.785 177.120 175.510 -0.291 0.000 1.029 50 N CA 1.572 54.492 53.050 -0.216 0.000 0.848 50 N CB -0.387 37.989 38.487 -0.185 0.000 1.007 50 N HN 0.264 nan 8.380 nan 0.000 0.423 51 F N 1.142 120.901 119.950 -0.318 0.000 2.206 51 F HA 0.055 4.581 4.527 -0.002 0.000 0.298 51 F C 2.607 178.309 175.800 -0.163 0.000 1.090 51 F CA 0.944 58.765 58.000 -0.298 0.000 1.323 51 F CB -0.778 37.812 39.000 -0.683 0.000 1.028 51 F HN 0.057 nan 8.300 nan 0.000 0.492 52 G N 0.407 109.186 108.800 -0.036 0.000 2.421 52 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.216 52 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.216 52 G C 1.779 176.721 174.900 0.070 0.000 1.171 52 G CA 0.923 46.077 45.100 0.090 0.000 0.775 52 G HN 0.329 nan 8.290 nan 0.000 0.543 53 I N 1.367 121.927 120.570 -0.017 0.000 2.264 53 I HA -0.209 3.960 4.170 -0.002 0.000 0.248 53 I C 3.275 179.419 176.117 0.046 0.000 1.111 53 I CA 0.897 62.186 61.300 -0.018 0.000 1.382 53 I CB -0.175 37.696 38.000 -0.215 0.000 1.060 53 I HN 0.270 nan 8.210 nan 0.000 0.418 54 A N 1.167 123.981 122.820 -0.011 0.000 1.858 54 A HA -0.277 4.042 4.320 -0.002 0.000 0.216 54 A C 2.275 179.910 177.584 0.085 0.000 1.190 54 A CA 1.961 54.000 52.037 0.002 0.000 0.617 54 A CB -0.844 18.123 19.000 -0.055 0.000 0.827 54 A HN 0.622 nan 8.150 nan 0.000 0.443 55 Q N -0.875 118.996 119.800 0.119 0.000 2.119 55 Q HA -0.193 4.146 4.340 -0.002 0.000 0.201 55 Q C 1.108 177.161 176.000 0.088 0.000 0.972 55 Q CA 1.535 57.407 55.803 0.114 0.000 0.847 55 Q CB -0.574 28.256 28.738 0.153 0.000 0.903 55 Q HN 0.465 nan 8.270 nan 0.000 0.433 56 D N 0.224 120.692 120.400 0.114 0.000 2.218 56 D HA -0.129 4.510 4.640 -0.002 0.000 0.204 56 D C 0.428 176.669 176.300 -0.098 0.000 0.976 56 D CA 1.060 55.071 54.000 0.019 0.000 0.853 56 D CB -0.011 40.817 40.800 0.046 0.000 0.939 56 D HN 0.407 nan 8.370 nan 0.000 0.481 57 Y N 0.285 120.562 120.300 -0.038 0.000 2.658 57 Y HA 0.187 4.737 4.550 -0.001 0.000 0.276 57 Y C 0.248 176.129 175.900 -0.032 0.000 1.167 57 Y CA -0.592 57.483 58.100 -0.041 0.000 1.230 57 Y CB 0.196 38.620 38.460 -0.059 0.000 1.144 57 Y HN -0.295 nan 8.280 nan 0.000 0.529 58 K N -0.032 120.414 120.400 0.077 0.000 3.077 58 K HA -0.182 4.137 4.320 -0.002 0.000 0.264 58 K C 0.442 177.062 176.600 0.034 0.000 1.008 58 K CA 0.814 57.124 56.287 0.039 0.000 0.740 58 K CB -1.671 30.840 32.500 0.018 0.000 1.273 58 K HN 0.624 nan 8.250 nan 0.000 0.477 59 G N -0.421 108.396 108.800 0.029 0.000 3.008 59 G HA2 0.609 4.568 3.960 -0.002 0.000 0.181 59 G HA3 0.609 4.568 3.960 -0.002 0.000 0.181 59 G C -0.705 174.123 174.900 -0.120 0.000 1.309 59 G CA -0.353 44.723 45.100 -0.040 0.000 1.009 59 G HN 0.077 nan 8.290 nan 0.000 0.584 60 Q N -1.495 118.139 119.800 -0.277 0.000 2.397 60 Q HA 0.498 4.837 4.340 -0.002 0.000 0.275 60 Q C -1.589 174.196 176.000 -0.358 0.000 1.090 60 Q CA -0.493 55.064 55.803 -0.409 0.000 0.809 60 Q CB 2.134 30.376 28.738 -0.827 0.000 1.362 60 Q HN 0.540 nan 8.270 nan 0.000 0.431 61 C N 2.786 121.972 119.300 -0.190 0.000 2.432 61 C HA 0.536 4.995 4.460 -0.002 0.000 0.334 61 C C -1.025 173.907 174.990 -0.095 0.000 1.155 61 C CA -0.573 58.308 59.018 -0.229 0.000 1.335 61 C CB 0.262 27.636 27.740 -0.611 0.000 1.964 61 C HN 0.722 nan 8.230 nan 0.000 0.444 62 N N 3.174 121.877 118.700 0.004 0.000 2.524 62 N HA 0.517 5.256 4.740 -0.002 0.000 0.283 62 N C -0.730 174.754 175.510 -0.042 0.000 1.142 62 N CA -0.404 52.684 53.050 0.063 0.000 0.984 62 N CB 1.381 39.899 38.487 0.052 0.000 1.155 62 N HN 0.703 nan 8.380 nan 0.000 0.467 63 L N 1.331 122.506 121.223 -0.080 0.000 2.276 63 L HA 0.459 4.798 4.340 -0.002 0.000 0.286 63 L C -0.253 176.312 176.870 -0.508 0.000 1.024 63 L CA -0.297 54.361 54.840 -0.303 0.000 0.826 63 L CB 0.192 41.846 42.059 -0.675 0.000 1.211 63 L HN 0.499 nan 8.230 nan 0.000 0.422 64 R N 4.355 124.530 120.500 -0.542 0.000 2.561 64 R HA 0.492 4.831 4.340 -0.002 0.000 0.297 64 R C -1.568 174.320 176.300 -0.687 0.000 0.969 64 R CA -0.590 55.197 56.100 -0.521 0.000 0.879 64 R CB 1.004 31.125 30.300 -0.297 0.000 1.178 64 R HN 0.507 nan 8.270 nan 0.000 0.445 65 F N 2.700 122.390 119.950 -0.434 0.000 2.421 65 F HA 0.145 4.671 4.527 -0.002 0.000 0.358 65 F C 0.701 176.434 175.800 -0.112 0.000 1.115 65 F CA -0.253 57.571 58.000 -0.294 0.000 1.160 65 F CB 1.131 39.951 39.000 -0.300 0.000 1.123 65 F HN 0.411 nan 8.300 nan 0.000 0.508 66 D N 3.662 124.081 120.400 0.031 0.000 2.688 66 D HA 0.002 4.641 4.640 -0.002 0.000 0.228 66 D C -0.184 176.234 176.300 0.196 0.000 1.116 66 D CA -0.044 54.016 54.000 0.100 0.000 1.023 66 D CB -0.256 40.605 40.800 0.102 0.000 1.100 66 D HN 0.407 nan 8.370 nan 0.000 0.487 67 D N 0.281 120.847 120.400 0.277 0.000 2.896 67 D HA -0.038 4.601 4.640 -0.002 0.000 0.240 67 D C 1.069 177.629 176.300 0.435 0.000 1.193 67 D CA -0.362 53.856 54.000 0.362 0.000 0.983 67 D CB -0.153 40.962 40.800 0.524 0.000 1.074 67 D HN 0.101 nan 8.370 nan 0.000 0.496 68 T N -2.765 111.992 114.554 0.339 0.000 3.086 68 T HA 0.061 4.410 4.350 -0.002 0.000 0.250 68 T C 0.497 175.324 174.700 0.211 0.000 1.074 68 T CA -0.496 61.828 62.100 0.373 0.000 0.988 68 T CB -0.171 68.871 68.868 0.289 0.000 0.988 68 T HN 0.078 nan 8.240 nan 0.000 0.530 69 N N 2.151 120.911 118.700 0.100 0.000 2.762 69 N HA 0.326 5.065 4.740 -0.002 0.000 0.252 69 N C -1.993 173.437 175.510 -0.133 0.000 1.269 69 N CA -2.352 50.675 53.050 -0.039 0.000 0.799 69 N CB 1.981 40.480 38.487 0.020 0.000 1.173 69 N HN -0.022 nan 8.380 nan 0.000 0.516 70 P HA -0.228 nan 4.420 nan 0.000 0.217 70 P C 1.391 178.599 177.300 -0.153 0.000 1.158 70 P CA 1.590 64.476 63.100 -0.356 0.000 0.887 70 P CB 0.103 31.496 31.700 -0.513 0.000 0.792 71 V N -2.581 117.261 119.914 -0.120 0.000 2.720 71 V HA -0.098 4.021 4.120 -0.002 0.000 0.256 71 V C 1.962 178.067 176.094 0.018 0.000 1.082 71 V CA 1.652 63.934 62.300 -0.030 0.000 1.101 71 V CB -1.268 30.547 31.823 -0.012 0.000 0.693 71 V HN -0.002 nan 8.190 nan 0.000 0.479 72 K N 0.268 120.682 120.400 0.022 0.000 2.354 72 K HA 0.323 4.642 4.320 -0.002 0.000 0.194 72 K C 0.424 177.091 176.600 0.111 0.000 1.038 72 K CA 0.141 56.469 56.287 0.068 0.000 1.052 72 K CB 0.609 33.141 32.500 0.053 0.000 0.861 72 K HN 0.674 nan 8.250 nan 0.000 0.535 73 E N 0.705 120.962 120.200 0.095 0.000 2.222 73 E HA 0.287 4.636 4.350 -0.002 0.000 0.267 73 E C -1.278 175.365 176.600 0.072 0.000 0.963 73 E CA -0.575 55.902 56.400 0.128 0.000 0.837 73 E CB 1.574 31.355 29.700 0.135 0.000 1.183 73 E HN -0.084 nan 8.360 nan 0.000 0.403 74 D N 0.166 120.527 120.400 -0.065 0.000 2.753 74 D HA 0.158 4.797 4.640 -0.002 0.000 0.224 74 D C -0.153 175.858 176.300 -0.482 0.000 1.213 74 D CA -0.578 53.248 54.000 -0.289 0.000 0.833 74 D CB 1.418 41.922 40.800 -0.493 0.000 1.607 74 D HN 0.349 nan 8.370 nan 0.000 0.463 75 I N 2.098 122.435 120.570 -0.388 0.000 2.567 75 I HA -0.066 4.103 4.170 -0.002 0.000 0.257 75 I C 1.679 177.577 176.117 -0.365 0.000 1.184 75 I CA 1.446 62.525 61.300 -0.369 0.000 1.451 75 I CB -0.157 37.727 38.000 -0.194 0.000 1.089 75 I HN 0.616 nan 8.210 nan 0.000 0.441 76 E N -0.716 119.231 120.200 -0.422 0.000 2.204 76 E HA -0.240 4.109 4.350 -0.002 0.000 0.194 76 E C 1.794 178.125 176.600 -0.448 0.000 0.989 76 E CA 1.063 57.224 56.400 -0.400 0.000 0.824 76 E CB -0.098 29.356 29.700 -0.409 0.000 0.756 76 E HN 0.582 nan 8.360 nan 0.000 0.477 77 Y N -0.299 119.777 120.300 -0.373 0.000 2.243 77 Y HA -0.133 4.416 4.550 -0.002 0.000 0.293 77 Y C 2.480 178.124 175.900 -0.428 0.000 1.124 77 Y CA 0.910 58.722 58.100 -0.480 0.000 1.159 77 Y CB -1.055 37.175 38.460 -0.384 0.000 1.008 77 Y HN 0.066 nan 8.280 nan 0.000 0.527 78 V N -0.420 119.275 119.914 -0.364 0.000 2.343 78 V HA -0.247 3.872 4.120 -0.002 0.000 0.247 78 V C 1.839 177.736 176.094 -0.328 0.000 1.051 78 V CA 2.215 64.129 62.300 -0.645 0.000 1.036 78 V CB -0.545 30.599 31.823 -1.133 0.000 0.654 78 V HN 0.366 nan 8.190 nan 0.000 0.451 79 E N 1.515 121.552 120.200 -0.271 0.000 2.049 79 E HA -0.211 4.138 4.350 -0.002 0.000 0.198 79 E C 2.433 178.961 176.600 -0.121 0.000 1.007 79 E CA 2.186 58.495 56.400 -0.152 0.000 0.809 79 E CB -0.335 29.279 29.700 -0.142 0.000 0.749 79 E HN 0.905 nan 8.360 nan 0.000 0.450 80 S N 0.194 115.749 115.700 -0.240 0.000 2.447 80 S HA -0.083 4.385 4.470 -0.002 0.000 0.233 80 S C 1.963 176.461 174.600 -0.169 0.000 1.006 80 S CA 0.562 58.587 58.200 -0.293 0.000 0.957 80 S CB -0.263 62.441 63.200 -0.826 0.000 0.773 80 S HN 0.165 nan 8.310 nan 0.000 0.507 81 I N 1.549 122.065 120.570 -0.089 0.000 2.233 81 I HA -0.097 4.072 4.170 -0.002 0.000 0.243 81 I C 2.601 178.788 176.117 0.118 0.000 1.093 81 I CA 1.069 62.399 61.300 0.049 0.000 1.380 81 I CB -0.175 37.933 38.000 0.179 0.000 1.067 81 I HN 0.237 nan 8.210 nan 0.000 0.413 82 K N 0.498 120.992 120.400 0.156 0.000 2.103 82 K HA -0.242 4.077 4.320 -0.002 0.000 0.207 82 K C 1.852 178.592 176.600 0.234 0.000 1.048 82 K CA 1.928 58.314 56.287 0.166 0.000 0.930 82 K CB -0.396 32.221 32.500 0.195 0.000 0.716 82 K HN 0.235 nan 8.250 nan 0.000 0.444 83 N N 1.259 120.050 118.700 0.151 0.000 2.084 83 N HA -0.173 4.566 4.740 -0.002 0.000 0.190 83 N C 1.394 177.014 175.510 0.183 0.000 1.030 83 N CA 1.703 54.841 53.050 0.145 0.000 0.849 83 N CB 0.006 38.535 38.487 0.071 0.000 1.012 83 N HN 0.088 nan 8.380 nan 0.000 0.423 84 D N -0.578 119.914 120.400 0.153 0.000 2.178 84 D HA -0.087 4.552 4.640 -0.002 0.000 0.202 84 D C 1.947 178.387 176.300 0.234 0.000 0.974 84 D CA 0.634 54.762 54.000 0.213 0.000 0.841 84 D CB -0.133 40.763 40.800 0.159 0.000 0.953 84 D HN 0.146 nan 8.370 nan 0.000 0.478 85 V N 1.206 121.222 119.914 0.170 0.000 2.358 85 V HA -0.194 3.925 4.120 -0.002 0.000 0.246 85 V C 2.314 178.460 176.094 0.085 0.000 1.047 85 V CA 1.489 63.845 62.300 0.093 0.000 1.035 85 V CB -0.354 31.546 31.823 0.128 0.000 0.658 85 V HN 0.154 nan 8.190 nan 0.000 0.452 86 E N -1.190 119.108 120.200 0.164 0.000 2.051 86 E HA -0.278 4.071 4.350 -0.002 0.000 0.192 86 E C 1.946 178.543 176.600 -0.005 0.000 0.991 86 E CA 1.636 58.045 56.400 0.015 0.000 0.799 86 E CB -0.236 29.518 29.700 0.090 0.000 0.748 86 E HN 0.744 nan 8.360 nan 0.000 0.449 87 W N 1.405 122.677 121.300 -0.047 0.000 2.342 87 W HA -0.144 4.516 4.660 -0.001 0.000 0.297 87 W C 1.609 178.076 176.519 -0.087 0.000 1.213 87 W CA 1.186 58.500 57.345 -0.052 0.000 1.251 87 W CB -0.160 29.297 29.460 -0.006 0.000 1.136 87 W HN -0.017 nan 8.180 nan 0.000 0.526 88 L N 0.484 121.639 121.223 -0.113 0.000 2.456 88 L HA 0.068 4.407 4.340 -0.002 0.000 0.224 88 L C 1.803 178.323 176.870 -0.583 0.000 1.148 88 L CA 1.158 55.805 54.840 -0.322 0.000 0.825 88 L CB -0.972 41.125 42.059 0.064 0.000 0.937 88 L HN 0.334 nan 8.230 nan 0.000 0.450 89 G N -0.864 107.604 108.800 -0.553 0.000 2.141 89 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.195 89 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.195 89 G C -0.238 174.139 174.900 -0.871 0.000 1.012 89 G CA -0.641 44.041 45.100 -0.697 0.000 0.696 89 G HN 0.113 nan 8.290 nan 0.000 0.508 90 F N 0.996 120.645 119.950 -0.502 0.000 2.522 90 F HA 0.693 5.219 4.527 -0.001 0.000 0.324 90 F C 0.594 175.980 175.800 -0.690 0.000 1.077 90 F CA -0.949 56.722 58.000 -0.548 0.000 0.944 90 F CB 1.553 40.060 39.000 -0.822 0.000 1.175 90 F HN 0.067 nan 8.300 nan 0.000 0.468 91 H N 0.648 119.737 119.070 0.032 0.000 2.524 91 H HA 0.247 4.802 4.556 -0.002 0.000 0.353 91 H C -0.995 174.487 175.328 0.257 0.000 1.136 91 H CA -0.941 55.037 56.048 -0.116 0.000 1.193 91 H CB 1.703 31.355 29.762 -0.183 0.000 1.558 91 H HN 0.794 nan 8.280 nan 0.000 0.515 92 W N 0.792 122.348 121.300 0.427 0.000 2.390 92 W HA 0.519 5.178 4.660 -0.001 0.000 0.362 92 W C 0.045 176.704 176.519 0.232 0.000 1.206 92 W CA -1.227 56.378 57.345 0.433 0.000 1.355 92 W CB 0.326 30.016 29.460 0.384 0.000 1.278 92 W HN 0.329 nan 8.180 nan 0.000 0.653 93 S N 1.648 117.607 115.700 0.432 0.000 2.448 93 S HA 0.487 4.956 4.470 -0.002 0.000 0.279 93 S C 0.726 175.507 174.600 0.302 0.000 1.195 93 S CA 0.640 58.991 58.200 0.253 0.000 1.051 93 S CB -0.818 62.473 63.200 0.152 0.000 0.948 93 S HN 1.480 nan 8.310 nan 0.000 0.493 94 G N 5.998 114.929 108.800 0.217 0.000 2.564 94 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.273 94 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.273 94 G C -0.212 174.881 174.900 0.322 0.000 1.242 94 G CA -0.150 45.077 45.100 0.211 0.000 0.951 94 G HN 0.737 nan 8.290 nan 0.000 0.564 95 N N -0.385 118.475 118.700 0.265 0.000 2.424 95 N HA 0.378 5.117 4.740 -0.002 0.000 0.257 95 N C 0.610 176.281 175.510 0.269 0.000 1.250 95 N CA -0.212 53.015 53.050 0.294 0.000 0.946 95 N CB 1.034 39.640 38.487 0.198 0.000 1.175 95 N HN 0.540 nan 8.380 nan 0.000 0.477 96 V N 2.244 122.279 119.914 0.202 0.000 2.655 96 V HA 0.037 4.156 4.120 -0.002 0.000 0.300 96 V C 0.639 176.672 176.094 -0.101 0.000 1.044 96 V CA 0.104 62.318 62.300 -0.144 0.000 1.095 96 V CB 0.108 31.841 31.823 -0.151 0.000 0.952 96 V HN 0.475 nan 8.190 nan 0.000 0.485 97 R N 3.759 124.113 120.500 -0.243 0.000 2.668 97 R HA 0.593 4.932 4.340 -0.002 0.000 0.279 97 R C -1.370 174.731 176.300 -0.333 0.000 0.976 97 R CA -0.704 55.298 56.100 -0.164 0.000 0.978 97 R CB 1.117 31.372 30.300 -0.074 0.000 1.133 97 R HN 0.605 nan 8.270 nan 0.000 0.484 98 Y N -0.959 119.240 120.300 -0.168 0.000 2.462 98 Y HA 0.205 4.754 4.550 -0.002 0.000 0.346 98 Y C 1.353 177.015 175.900 -0.396 0.000 0.976 98 Y CA -0.585 57.424 58.100 -0.152 0.000 1.044 98 Y CB 2.450 40.836 38.460 -0.124 0.000 1.230 98 Y HN 0.534 nan 8.280 nan 0.000 0.455 99 S N 0.347 115.989 115.700 -0.097 0.000 2.399 99 S HA -0.208 4.261 4.470 -0.002 0.000 0.231 99 S C 2.067 176.357 174.600 -0.518 0.000 1.022 99 S CA 1.743 59.861 58.200 -0.138 0.000 0.983 99 S CB -0.341 62.884 63.200 0.042 0.000 0.803 99 S HN 0.845 nan 8.310 nan 0.000 0.480 100 S N 2.085 117.347 115.700 -0.731 0.000 2.420 100 S HA -0.185 4.284 4.470 -0.002 0.000 0.237 100 S C 1.189 175.158 174.600 -1.052 0.000 1.023 100 S CA 1.295 58.522 58.200 -1.621 0.000 0.991 100 S CB -0.562 61.986 63.200 -1.087 0.000 0.792 100 S HN 0.387 nan 8.310 nan 0.000 0.488 101 D N 0.838 120.802 120.400 -0.726 0.000 2.263 101 D HA -0.063 4.576 4.640 -0.002 0.000 0.208 101 D C 0.529 176.521 176.300 -0.515 0.000 0.971 101 D CA 1.003 54.638 54.000 -0.609 0.000 0.867 101 D CB -0.276 40.096 40.800 -0.713 0.000 0.929 101 D HN 0.661 nan 8.370 nan 0.000 0.492 102 Y N -1.140 119.049 120.300 -0.186 0.000 2.555 102 Y HA 0.184 4.733 4.550 -0.002 0.000 0.259 102 Y C 1.354 177.291 175.900 0.062 0.000 1.179 102 Y CA -0.857 57.211 58.100 -0.053 0.000 1.230 102 Y CB -0.460 37.966 38.460 -0.057 0.000 1.146 102 Y HN -0.202 nan 8.280 nan 0.000 0.526 103 F N 1.078 121.007 119.950 -0.035 0.000 2.154 103 F HA -0.234 4.293 4.527 -0.002 0.000 0.301 103 F C 1.845 177.620 175.800 -0.041 0.000 1.087 103 F CA 1.008 58.864 58.000 -0.239 0.000 1.274 103 F CB -0.617 37.941 39.000 -0.736 0.000 1.009 103 F HN 0.201 nan 8.300 nan 0.000 0.485 104 D N -0.575 120.064 120.400 0.399 0.000 2.117 104 D HA -0.160 4.479 4.640 -0.002 0.000 0.198 104 D C 2.169 178.663 176.300 0.324 0.000 0.982 104 D CA 0.944 55.207 54.000 0.438 0.000 0.828 104 D CB -0.289 40.710 40.800 0.331 0.000 0.967 104 D HN 0.251 nan 8.370 nan 0.000 0.464 105 Q N 0.370 120.321 119.800 0.253 0.000 2.030 105 Q HA -0.107 4.232 4.340 -0.002 0.000 0.204 105 Q C 2.185 178.322 176.000 0.229 0.000 0.986 105 Q CA 0.793 56.696 55.803 0.167 0.000 0.843 105 Q CB -0.297 28.560 28.738 0.200 0.000 0.904 105 Q HN 0.142 nan 8.270 nan 0.000 0.420 106 L N -0.214 121.199 121.223 0.316 0.000 2.042 106 L HA -0.205 4.134 4.340 -0.002 0.000 0.210 106 L C 2.312 179.550 176.870 0.614 0.000 1.076 106 L CA 2.110 57.189 54.840 0.399 0.000 0.749 106 L CB -1.610 40.662 42.059 0.354 0.000 0.893 106 L HN 0.454 nan 8.230 nan 0.000 0.432 107 H N 0.015 119.340 119.070 0.425 0.000 2.387 107 H HA -0.100 4.455 4.556 -0.002 0.000 0.299 107 H C 2.061 177.570 175.328 0.303 0.000 1.099 107 H CA 1.752 58.019 56.048 0.365 0.000 1.315 107 H CB 0.260 30.206 29.762 0.307 0.000 1.380 107 H HN 0.267 nan 8.280 nan 0.000 0.513 108 A N -0.361 122.540 122.820 0.134 0.000 1.898 108 A HA -0.149 4.170 4.320 -0.002 0.000 0.216 108 A C 1.999 179.549 177.584 -0.057 0.000 1.181 108 A CA 1.369 53.377 52.037 -0.049 0.000 0.620 108 A CB -1.005 17.911 19.000 -0.141 0.000 0.819 108 A HN 0.547 nan 8.150 nan 0.000 0.442 109 Y N -0.007 120.377 120.300 0.141 0.000 2.352 109 Y HA -0.024 4.525 4.550 -0.002 0.000 0.292 109 Y C 2.809 178.856 175.900 0.246 0.000 1.136 109 Y CA 0.374 58.567 58.100 0.156 0.000 1.227 109 Y CB -0.569 37.947 38.460 0.095 0.000 0.991 109 Y HN 0.341 nan 8.280 nan 0.000 0.545 110 A N -0.097 122.982 122.820 0.433 0.000 1.897 110 A HA -0.118 4.201 4.320 -0.002 0.000 0.215 110 A C 2.239 179.798 177.584 -0.041 0.000 1.181 110 A CA 1.409 53.529 52.037 0.138 0.000 0.620 110 A CB -0.926 18.112 19.000 0.063 0.000 0.821 110 A HN 0.432 nan 8.150 nan 0.000 0.443 111 I N -0.445 120.107 120.570 -0.029 0.000 2.361 111 I HA -0.240 3.929 4.170 -0.002 0.000 0.251 111 I C 2.514 178.627 176.117 -0.005 0.000 1.133 111 I CA 1.683 62.958 61.300 -0.040 0.000 1.413 111 I CB -0.202 37.761 38.000 -0.062 0.000 1.073 111 I HN 0.574 nan 8.210 nan 0.000 0.424 112 E N 1.422 121.641 120.200 0.032 0.000 2.072 112 E HA -0.199 4.150 4.350 -0.002 0.000 0.191 112 E C 2.356 178.980 176.600 0.039 0.000 0.985 112 E CA 1.009 57.435 56.400 0.044 0.000 0.801 112 E CB 0.022 29.778 29.700 0.095 0.000 0.750 112 E HN 0.452 nan 8.360 nan 0.000 0.452 113 L N 0.679 121.933 121.223 0.051 0.000 2.046 113 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 113 L C 2.586 179.469 176.870 0.022 0.000 1.077 113 L CA 0.955 55.815 54.840 0.035 0.000 0.747 113 L CB -0.397 41.697 42.059 0.059 0.000 0.896 113 L HN 0.263 nan 8.230 nan 0.000 0.432 114 I N 0.101 120.658 120.570 -0.022 0.000 2.163 114 I HA -0.336 3.833 4.170 -0.002 0.000 0.243 114 I C 2.001 178.127 176.117 0.015 0.000 1.085 114 I CA 1.762 63.050 61.300 -0.020 0.000 1.347 114 I CB -0.540 37.418 38.000 -0.070 0.000 1.044 114 I HN 0.368 nan 8.210 nan 0.000 0.408 115 N N 0.680 119.387 118.700 0.012 0.000 2.272 115 N HA -0.169 4.570 4.740 -0.002 0.000 0.185 115 N C 1.224 176.747 175.510 0.022 0.000 1.014 115 N CA 0.823 53.883 53.050 0.018 0.000 0.870 115 N CB 0.011 38.507 38.487 0.013 0.000 0.975 115 N HN 0.369 nan 8.380 nan 0.000 0.433 116 K N 0.026 120.440 120.400 0.024 0.000 2.417 116 K HA 0.120 4.439 4.320 -0.002 0.000 0.196 116 K C 0.817 177.444 176.600 0.046 0.000 1.023 116 K CA 0.178 56.480 56.287 0.025 0.000 1.122 116 K CB 0.647 33.153 32.500 0.010 0.000 0.850 116 K HN 0.182 nan 8.250 nan 0.000 0.521 117 G N 1.624 110.456 108.800 0.054 0.000 2.168 117 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.257 117 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.257 117 G C 0.505 175.473 174.900 0.114 0.000 0.997 117 G CA 0.089 45.232 45.100 0.072 0.000 0.708 117 G HN 0.340 nan 8.290 nan 0.000 0.520 118 L N -0.307 120.995 121.223 0.132 0.000 2.653 118 L HA 0.600 4.939 4.340 -0.002 0.000 0.231 118 L C 1.098 178.117 176.870 0.250 0.000 1.153 118 L CA 0.611 55.590 54.840 0.231 0.000 0.933 118 L CB -0.122 42.078 42.059 0.236 0.000 1.175 118 L HN 0.629 nan 8.230 nan 0.000 0.473 119 A N -0.203 122.714 122.820 0.162 0.000 2.605 119 A HA 0.663 4.982 4.320 -0.002 0.000 0.294 119 A C -1.795 175.847 177.584 0.096 0.000 1.062 119 A CA -0.443 51.630 52.037 0.060 0.000 0.682 119 A CB 1.324 20.270 19.000 -0.090 0.000 1.278 119 A HN 0.172 nan 8.150 nan 0.000 0.410 120 Y N -1.508 118.734 120.300 -0.096 0.000 2.638 120 Y HA 0.711 5.260 4.550 -0.002 0.000 0.335 120 Y C -1.152 174.689 175.900 -0.098 0.000 1.155 120 Y CA -1.556 56.499 58.100 -0.076 0.000 1.046 120 Y CB 0.817 39.263 38.460 -0.024 0.000 1.303 120 Y HN 0.519 nan 8.280 nan 0.000 0.460 121 V N 2.778 122.688 119.914 -0.006 0.000 2.432 121 V HA 0.244 4.363 4.120 -0.002 0.000 0.271 121 V C -0.556 175.537 176.094 -0.001 0.000 1.046 121 V CA -0.002 62.244 62.300 -0.091 0.000 0.945 121 V CB 0.779 32.605 31.823 0.005 0.000 0.992 121 V HN 0.766 nan 8.190 nan 0.000 0.471 122 D N 3.316 123.629 120.400 -0.145 0.000 2.163 122 D HA 0.335 4.974 4.640 -0.002 0.000 0.248 122 D C 0.390 176.530 176.300 -0.266 0.000 1.035 122 D CA -0.427 53.555 54.000 -0.030 0.000 0.872 122 D CB 1.893 42.702 40.800 0.015 0.000 1.183 122 D HN 0.616 nan 8.370 nan 0.000 0.445 123 E N 1.602 121.508 120.200 -0.490 0.000 2.624 123 E HA 0.117 4.466 4.350 -0.002 0.000 0.210 123 E C -0.322 176.110 176.600 -0.280 0.000 0.997 123 E CA -0.506 55.548 56.400 -0.576 0.000 0.999 123 E CB 0.606 29.770 29.700 -0.893 0.000 1.040 123 E HN 0.200 nan 8.360 nan 0.000 0.469 124 L N 2.562 123.731 121.223 -0.090 0.000 2.410 124 L HA 0.048 4.387 4.340 -0.002 0.000 0.273 124 L C 1.062 177.901 176.870 -0.051 0.000 1.144 124 L CA 0.359 55.187 54.840 -0.020 0.000 0.863 124 L CB 0.520 42.520 42.059 -0.098 0.000 1.140 124 L HN 0.113 nan 8.230 nan 0.000 0.463 125 T N 2.496 117.040 114.554 -0.017 0.000 2.724 125 T HA 0.071 4.420 4.350 -0.002 0.000 0.324 125 T C -1.680 173.017 174.700 -0.004 0.000 1.071 125 T CA -0.860 61.233 62.100 -0.012 0.000 1.061 125 T CB -0.007 68.872 68.868 0.018 0.000 0.990 125 T HN 0.510 nan 8.240 nan 0.000 0.543 126 P HA -0.038 nan 4.420 nan 0.000 0.218 126 P C 1.189 178.505 177.300 0.027 0.000 1.148 126 P CA 0.978 64.084 63.100 0.010 0.000 0.822 126 P CB 0.042 31.751 31.700 0.014 0.000 0.784 127 E N -0.675 119.547 120.200 0.037 0.000 2.076 127 E HA -0.111 4.238 4.350 -0.002 0.000 0.190 127 E C 2.080 178.726 176.600 0.076 0.000 0.979 127 E CA 0.977 57.407 56.400 0.051 0.000 0.807 127 E CB -0.888 28.842 29.700 0.050 0.000 0.761 127 E HN 0.365 nan 8.360 nan 0.000 0.454 128 Q N 0.250 120.100 119.800 0.083 0.000 2.170 128 Q HA -0.083 4.256 4.340 -0.002 0.000 0.203 128 Q C 2.283 178.380 176.000 0.162 0.000 0.976 128 Q CA 0.930 56.820 55.803 0.145 0.000 0.858 128 Q CB -0.178 28.616 28.738 0.093 0.000 0.907 128 Q HN 0.341 nan 8.270 nan 0.000 0.433 129 I N 0.675 121.286 120.570 0.068 0.000 2.286 129 I HA -0.289 3.880 4.170 -0.002 0.000 0.248 129 I C 2.572 178.753 176.117 0.107 0.000 1.115 129 I CA 1.070 62.407 61.300 0.062 0.000 1.392 129 I CB 0.008 38.017 38.000 0.014 0.000 1.065 129 I HN 0.099 nan 8.210 nan 0.000 0.418 130 R N 0.788 121.342 120.500 0.090 0.000 2.093 130 R HA -0.140 4.199 4.340 -0.002 0.000 0.224 130 R C 2.019 178.376 176.300 0.094 0.000 1.101 130 R CA 1.434 57.580 56.100 0.076 0.000 0.979 130 R CB -0.141 30.190 30.300 0.052 0.000 0.877 130 R HN 0.455 nan 8.270 nan 0.000 0.441 131 E N -0.673 119.603 120.200 0.126 0.000 2.153 131 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 131 E C 1.364 178.025 176.600 0.102 0.000 0.988 131 E CA 1.148 57.611 56.400 0.106 0.000 0.811 131 E CB -0.043 29.734 29.700 0.128 0.000 0.746 131 E HN 0.435 nan 8.360 nan 0.000 0.466 132 Y N 0.419 120.729 120.300 0.016 0.000 2.517 132 Y HA 0.063 4.612 4.550 -0.002 0.000 0.281 132 Y C 2.248 178.155 175.900 0.011 0.000 1.125 132 Y CA 0.362 58.470 58.100 0.015 0.000 1.283 132 Y CB 0.146 38.621 38.460 0.026 0.000 1.042 132 Y HN -0.127 nan 8.280 nan 0.000 0.547 133 R N 0.353 120.945 120.500 0.153 0.000 2.189 133 R HA 0.141 4.480 4.340 -0.002 0.000 0.223 133 R C 0.895 177.223 176.300 0.047 0.000 1.092 133 R CA 0.946 57.099 56.100 0.089 0.000 0.989 133 R CB -0.197 30.144 30.300 0.067 0.000 0.876 133 R HN 0.381 nan 8.270 nan 0.000 0.457 134 G N -0.733 108.083 108.800 0.026 0.000 2.660 134 G HA2 -0.259 3.699 3.960 -0.002 0.000 0.247 134 G HA3 -0.259 3.699 3.960 -0.002 0.000 0.247 134 G C -0.314 174.586 174.900 0.000 0.000 1.328 134 G CA -0.349 44.752 45.100 0.001 0.000 0.884 134 G HN 0.451 nan 8.290 nan 0.000 0.531 135 T N -2.594 111.955 114.554 -0.009 0.000 2.773 135 T HA 0.697 5.046 4.350 -0.002 0.000 0.278 135 T C 1.680 176.370 174.700 -0.016 0.000 1.011 135 T CA -0.054 62.039 62.100 -0.011 0.000 1.014 135 T CB 1.353 70.212 68.868 -0.016 0.000 1.293 135 T HN 0.931 nan 8.240 nan 0.000 0.554 136 L N 0.686 121.897 121.223 -0.020 0.000 2.265 136 L HA -0.007 4.332 4.340 -0.002 0.000 0.215 136 L C 2.494 179.342 176.870 -0.037 0.000 1.117 136 L CA 1.740 56.563 54.840 -0.029 0.000 0.782 136 L CB -0.731 41.311 42.059 -0.029 0.000 0.914 136 L HN 1.004 nan 8.230 nan 0.000 0.441 137 T N -5.807 108.727 114.554 -0.032 0.000 2.959 137 T HA 0.149 4.498 4.350 -0.002 0.000 0.254 137 T C 0.694 175.375 174.700 -0.032 0.000 1.003 137 T CA -0.306 61.773 62.100 -0.035 0.000 0.950 137 T CB 0.355 69.204 68.868 -0.032 0.000 1.090 137 T HN 0.149 nan 8.240 nan 0.000 0.503 138 Q N 2.769 122.552 119.800 -0.028 0.000 2.322 138 Q HA 0.447 4.786 4.340 -0.002 0.000 0.265 138 Q C -2.747 173.239 176.000 -0.024 0.000 0.985 138 Q CA -2.682 53.105 55.803 -0.027 0.000 0.849 138 Q CB 2.357 31.078 28.738 -0.028 0.000 1.274 138 Q HN 0.218 nan 8.270 nan 0.000 0.449 139 P HA -0.017 nan 4.420 nan 0.000 0.271 139 P C -0.190 177.102 177.300 -0.013 0.000 1.233 139 P CA 0.045 63.135 63.100 -0.016 0.000 0.789 139 P CB 0.735 32.426 31.700 -0.016 0.000 0.951 140 G N 0.664 109.465 108.800 0.002 0.000 2.532 140 G HA2 0.574 4.533 3.960 -0.002 0.000 0.291 140 G HA3 0.574 4.533 3.960 -0.002 0.000 0.291 140 G C -0.719 174.190 174.900 0.014 0.000 1.349 140 G CA -0.736 44.374 45.100 0.016 0.000 1.038 140 G HN 0.684 nan 8.290 nan 0.000 0.518 141 K N -0.798 119.631 120.400 0.048 0.000 2.464 141 K HA 0.292 4.611 4.320 -0.002 0.000 0.253 141 K C -0.830 175.877 176.600 0.179 0.000 0.933 141 K CA -0.816 55.504 56.287 0.055 0.000 0.801 141 K CB 1.864 34.330 32.500 -0.056 0.000 1.271 141 K HN 0.500 nan 8.250 nan 0.000 0.430 142 N N 1.167 119.934 118.700 0.112 0.000 2.353 142 N HA -0.090 4.649 4.740 -0.002 0.000 0.248 142 N C -0.276 175.327 175.510 0.155 0.000 1.240 142 N CA 0.229 53.333 53.050 0.091 0.000 0.862 142 N CB 0.681 39.172 38.487 0.007 0.000 1.086 142 N HN 0.615 nan 8.380 nan 0.000 0.453 143 S N 2.308 118.031 115.700 0.039 0.000 2.580 143 S HA 0.158 4.627 4.470 -0.002 0.000 0.274 143 S C -1.236 173.267 174.600 -0.162 0.000 1.329 143 S CA -1.552 56.582 58.200 -0.109 0.000 1.036 143 S CB 0.854 64.035 63.200 -0.031 0.000 0.919 143 S HN 0.437 nan 8.310 nan 0.000 0.515 144 P HA -0.061 nan 4.420 nan 0.000 0.228 144 P C -0.024 176.959 177.300 -0.528 0.000 1.151 144 P CA 1.107 63.944 63.100 -0.439 0.000 0.770 144 P CB -0.159 31.181 31.700 -0.599 0.000 0.786 145 Y N -1.109 119.139 120.300 -0.086 0.000 2.507 145 Y HA 0.333 4.882 4.550 -0.002 0.000 0.254 145 Y C 2.561 178.328 175.900 -0.222 0.000 1.171 145 Y CA -0.473 57.586 58.100 -0.069 0.000 1.238 145 Y CB -0.554 37.918 38.460 0.019 0.000 1.148 145 Y HN -0.193 nan 8.280 nan 0.000 0.525 146 R N 0.709 121.017 120.500 -0.321 0.000 2.120 146 R HA -0.109 4.230 4.340 -0.002 0.000 0.234 146 R C 0.135 176.117 176.300 -0.530 0.000 1.123 146 R CA 1.589 57.213 56.100 -0.794 0.000 0.975 146 R CB 0.048 30.019 30.300 -0.548 0.000 0.866 146 R HN 0.185 nan 8.270 nan 0.000 0.446 147 D N 0.525 120.780 120.400 -0.242 0.000 2.587 147 D HA 0.055 4.694 4.640 -0.002 0.000 0.233 147 D C -0.244 176.024 176.300 -0.054 0.000 1.213 147 D CA -0.003 53.917 54.000 -0.133 0.000 0.827 147 D CB 0.225 40.971 40.800 -0.090 0.000 1.006 147 D HN 0.146 nan 8.370 nan 0.000 0.490 148 R N 0.789 121.275 120.500 -0.024 0.000 2.784 148 R HA 0.125 4.464 4.340 -0.002 0.000 0.266 148 R C 1.040 177.364 176.300 0.040 0.000 1.044 148 R CA 0.030 56.155 56.100 0.043 0.000 1.151 148 R CB 0.592 30.953 30.300 0.103 0.000 1.037 148 R HN 0.092 nan 8.270 nan 0.000 0.478 149 S N -0.010 115.717 115.700 0.045 0.000 2.614 149 S HA 0.033 4.502 4.470 -0.002 0.000 0.265 149 S C 1.507 176.137 174.600 0.051 0.000 1.303 149 S CA -0.965 57.258 58.200 0.040 0.000 1.000 149 S CB 1.239 64.460 63.200 0.035 0.000 0.935 149 S HN 0.359 nan 8.310 nan 0.000 0.551 150 V N 1.898 121.838 119.914 0.043 0.000 2.282 150 V HA -0.196 3.923 4.120 -0.002 0.000 0.249 150 V C 2.610 178.733 176.094 0.048 0.000 1.057 150 V CA 2.499 64.826 62.300 0.044 0.000 1.032 150 V CB -1.332 30.512 31.823 0.034 0.000 0.645 150 V HN 0.885 nan 8.190 nan 0.000 0.447 151 E N 0.114 120.340 120.200 0.044 0.000 2.085 151 E HA -0.211 4.138 4.350 -0.002 0.000 0.194 151 E C 2.144 178.778 176.600 0.057 0.000 0.994 151 E CA 1.505 57.932 56.400 0.045 0.000 0.801 151 E CB -0.331 29.390 29.700 0.036 0.000 0.743 151 E HN 0.712 nan 8.360 nan 0.000 0.453 152 E N 0.315 120.553 120.200 0.062 0.000 2.047 152 E HA -0.131 4.218 4.350 -0.002 0.000 0.191 152 E C 1.918 178.576 176.600 0.096 0.000 0.987 152 E CA 1.064 57.510 56.400 0.077 0.000 0.799 152 E CB -0.296 29.452 29.700 0.081 0.000 0.752 152 E HN 0.320 nan 8.360 nan 0.000 0.449 153 N N 0.600 119.358 118.700 0.096 0.000 2.069 153 N HA -0.188 4.551 4.740 -0.002 0.000 0.191 153 N C 1.719 177.300 175.510 0.119 0.000 1.031 153 N CA 0.670 53.781 53.050 0.100 0.000 0.852 153 N CB -0.057 38.476 38.487 0.077 0.000 1.018 153 N HN -0.020 nan 8.380 nan 0.000 0.423 154 L N 1.096 122.380 121.223 0.102 0.000 2.012 154 L HA -0.138 4.201 4.340 -0.002 0.000 0.210 154 L C 2.312 179.263 176.870 0.135 0.000 1.073 154 L CA 1.564 56.477 54.840 0.122 0.000 0.748 154 L CB -1.149 40.957 42.059 0.079 0.000 0.891 154 L HN 0.168 nan 8.230 nan 0.000 0.431 155 A N -1.477 121.403 122.820 0.101 0.000 1.898 155 A HA -0.159 4.160 4.320 -0.002 0.000 0.216 155 A C 2.138 179.787 177.584 0.107 0.000 1.181 155 A CA 1.437 53.522 52.037 0.080 0.000 0.620 155 A CB -0.684 18.351 19.000 0.058 0.000 0.819 155 A HN 0.329 nan 8.150 nan 0.000 0.442 156 L N -1.819 119.495 121.223 0.152 0.000 2.093 156 L HA -0.045 4.294 4.340 -0.002 0.000 0.208 156 L C 2.191 179.234 176.870 0.289 0.000 1.085 156 L CA 1.349 56.324 54.840 0.225 0.000 0.755 156 L CB -1.202 40.988 42.059 0.219 0.000 0.904 156 L HN 0.488 nan 8.230 nan 0.000 0.435 157 F N 0.844 120.829 119.950 0.058 0.000 2.146 157 F HA -0.176 4.349 4.527 -0.002 0.000 0.298 157 F C 2.518 178.344 175.800 0.043 0.000 1.096 157 F CA 1.565 59.578 58.000 0.022 0.000 1.275 157 F CB -0.292 38.690 39.000 -0.031 0.000 1.008 157 F HN 0.197 nan 8.300 nan 0.000 0.480 158 E N 0.902 121.124 120.200 0.038 0.000 2.110 158 E HA -0.245 4.104 4.350 -0.002 0.000 0.193 158 E C 2.222 178.775 176.600 -0.077 0.000 0.988 158 E CA 1.749 58.102 56.400 -0.077 0.000 0.804 158 E CB -0.476 29.216 29.700 -0.014 0.000 0.745 158 E HN 0.437 nan 8.360 nan 0.000 0.458 159 K N -0.497 119.901 120.400 -0.003 0.000 2.057 159 K HA -0.128 4.190 4.320 -0.002 0.000 0.207 159 K C 2.214 178.828 176.600 0.024 0.000 1.049 159 K CA 1.612 57.877 56.287 -0.035 0.000 0.931 159 K CB -0.153 32.293 32.500 -0.090 0.000 0.714 159 K HN 0.184 nan 8.250 nan 0.000 0.440 160 M N 0.301 119.988 119.600 0.146 0.000 2.065 160 M HA -0.202 4.277 4.480 -0.002 0.000 0.259 160 M C 2.488 178.760 176.300 -0.047 0.000 1.071 160 M CA 1.654 57.051 55.300 0.161 0.000 1.109 160 M CB -0.366 32.326 32.600 0.154 0.000 1.313 160 M HN 0.141 nan 8.290 nan 0.000 0.408 161 R N 0.514 120.881 120.500 -0.223 0.000 2.091 161 R HA -0.144 4.195 4.340 -0.002 0.000 0.238 161 R C 1.881 178.063 176.300 -0.198 0.000 1.136 161 R CA 1.836 57.760 56.100 -0.294 0.000 0.959 161 R CB -0.353 29.671 30.300 -0.460 0.000 0.856 161 R HN 0.413 nan 8.270 nan 0.000 0.437 162 A N -0.423 122.310 122.820 -0.145 0.000 2.209 162 A HA 0.096 4.415 4.320 -0.002 0.000 0.212 162 A C 1.342 178.919 177.584 -0.012 0.000 1.158 162 A CA 1.129 53.105 52.037 -0.101 0.000 0.742 162 A CB -0.319 18.623 19.000 -0.098 0.000 0.790 162 A HN 0.614 nan 8.150 nan 0.000 0.472 163 G N -2.370 106.466 108.800 0.060 0.000 2.136 163 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.242 163 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.242 163 G C 1.000 176.030 174.900 0.216 0.000 0.989 163 G CA 0.388 45.649 45.100 0.268 0.000 0.682 163 G HN 1.345 nan 8.290 nan 0.000 0.522 164 G N -0.914 107.917 108.800 0.053 0.000 3.026 164 G HA2 0.419 4.378 3.960 -0.002 0.000 0.208 164 G HA3 0.419 4.378 3.960 -0.002 0.000 0.208 164 G C 0.082 174.870 174.900 -0.188 0.000 1.169 164 G CA 0.099 45.140 45.100 -0.098 0.000 0.788 164 G HN 0.381 nan 8.290 nan 0.000 0.533 165 F N 0.112 120.140 119.950 0.130 0.000 2.556 165 F HA 0.416 4.942 4.527 -0.002 0.000 0.314 165 F C 0.206 176.141 175.800 0.224 0.000 1.106 165 F CA -1.573 56.497 58.000 0.117 0.000 0.911 165 F CB 1.871 40.911 39.000 0.067 0.000 1.190 165 F HN -0.024 nan 8.300 nan 0.000 0.448 166 E N 1.535 121.988 120.200 0.421 0.000 2.373 166 E HA 0.141 4.490 4.350 -0.002 0.000 0.263 166 E C -0.478 176.313 176.600 0.319 0.000 1.073 166 E CA -0.540 56.078 56.400 0.364 0.000 0.894 166 E CB 0.590 30.416 29.700 0.211 0.000 1.008 166 E HN 0.514 nan 8.360 nan 0.000 0.420 167 E N 0.258 120.659 120.200 0.336 0.000 2.568 167 E HA -0.064 4.284 4.350 -0.002 0.000 0.262 167 E C 0.880 177.538 176.600 0.097 0.000 0.961 167 E CA 0.823 57.331 56.400 0.180 0.000 0.945 167 E CB 0.198 30.010 29.700 0.188 0.000 0.924 167 E HN 0.845 nan 8.360 nan 0.000 0.467 168 G N 3.037 111.859 108.800 0.037 0.000 2.220 168 G HA2 -0.379 3.580 3.960 -0.002 0.000 0.269 168 G HA3 -0.379 3.580 3.960 -0.002 0.000 0.269 168 G C 1.084 175.957 174.900 -0.045 0.000 0.977 168 G CA 0.885 45.985 45.100 -0.000 0.000 0.634 168 G HN 0.479 nan 8.290 nan 0.000 0.539 169 K N 0.488 120.858 120.400 -0.049 0.000 2.432 169 K HA 0.611 4.929 4.320 -0.002 0.000 0.196 169 K C 1.006 177.356 176.600 -0.417 0.000 1.038 169 K CA 1.387 57.596 56.287 -0.130 0.000 0.986 169 K CB 0.123 32.643 32.500 0.034 0.000 0.782 169 K HN 1.315 nan 8.250 nan 0.000 0.485 170 A N -1.099 121.468 122.820 -0.421 0.000 2.599 170 A HA 0.574 4.893 4.320 -0.002 0.000 0.294 170 A C -1.291 176.133 177.584 -0.266 0.000 1.055 170 A CA -0.644 51.075 52.037 -0.530 0.000 0.683 170 A CB 0.482 18.807 19.000 -1.125 0.000 1.278 170 A HN 0.253 nan 8.150 nan 0.000 0.412 171 C N -0.089 119.081 119.300 -0.215 0.000 3.288 171 C HA 0.855 5.314 4.460 -0.002 0.000 0.318 171 C C -1.270 173.626 174.990 -0.158 0.000 1.356 171 C CA -0.829 58.119 59.018 -0.115 0.000 1.359 171 C CB 0.519 28.197 27.740 -0.104 0.000 1.688 171 C HN 1.512 nan 8.230 nan 0.000 0.467 172 L N 2.153 123.301 121.223 -0.124 0.000 2.295 172 L HA 0.736 5.075 4.340 -0.002 0.000 0.285 172 L C 0.051 176.702 176.870 -0.365 0.000 1.035 172 L CA 0.045 54.706 54.840 -0.298 0.000 0.806 172 L CB 0.651 42.476 42.059 -0.390 0.000 1.214 172 L HN 0.798 nan 8.230 nan 0.000 0.426 173 R N 3.545 123.694 120.500 -0.585 0.000 2.803 173 R HA 0.761 5.100 4.340 -0.002 0.000 0.276 173 R C -0.951 175.050 176.300 -0.499 0.000 0.978 173 R CA -0.950 54.810 56.100 -0.567 0.000 0.939 173 R CB 1.896 31.760 30.300 -0.726 0.000 1.179 173 R HN 0.758 nan 8.270 nan 0.000 0.472 174 A N 1.824 124.465 122.820 -0.298 0.000 2.327 174 A HA 0.240 4.559 4.320 -0.002 0.000 0.283 174 A C -0.176 177.364 177.584 -0.074 0.000 1.127 174 A CA -0.338 51.595 52.037 -0.174 0.000 0.810 174 A CB 0.469 19.281 19.000 -0.312 0.000 1.066 174 A HN 0.615 nan 8.150 nan 0.000 0.492 175 K N 3.361 123.816 120.400 0.091 0.000 2.257 175 K HA 0.508 4.827 4.320 -0.002 0.000 0.270 175 K C -0.417 176.191 176.600 0.014 0.000 1.098 175 K CA -0.176 56.209 56.287 0.162 0.000 0.943 175 K CB -0.072 32.571 32.500 0.239 0.000 1.316 175 K HN 0.750 nan 8.250 nan 0.000 0.447 176 I N 0.689 121.186 120.570 -0.121 0.000 4.761 176 I HA 0.235 4.404 4.170 -0.002 0.000 0.247 176 I C -0.344 175.728 176.117 -0.075 0.000 0.760 176 I CA -0.569 60.610 61.300 -0.201 0.000 2.578 176 I CB 0.389 38.070 38.000 -0.530 0.000 1.478 176 I HN 0.415 nan 8.210 nan 0.000 0.507 177 D N 0.496 120.846 120.400 -0.083 0.000 2.386 177 D HA 0.261 4.900 4.640 -0.002 0.000 0.247 177 D C 0.471 176.765 176.300 -0.009 0.000 1.336 177 D CA -0.338 53.648 54.000 -0.023 0.000 0.976 177 D CB 1.131 41.930 40.800 -0.002 0.000 1.257 177 D HN 0.107 nan 8.370 nan 0.000 0.570 178 M N 1.902 121.505 119.600 0.006 0.000 2.539 178 M HA 0.036 4.515 4.480 -0.002 0.000 0.261 178 M C 1.309 177.619 176.300 0.016 0.000 1.069 178 M CA 0.659 55.971 55.300 0.020 0.000 1.081 178 M CB -0.897 31.726 32.600 0.038 0.000 1.412 178 M HN 0.514 nan 8.290 nan 0.000 0.482 179 A N -1.074 121.753 122.820 0.012 0.000 2.500 179 A HA 0.228 4.547 4.320 -0.002 0.000 0.267 179 A C 0.931 178.522 177.584 0.012 0.000 1.290 179 A CA -0.180 51.861 52.037 0.008 0.000 0.928 179 A CB -0.099 18.903 19.000 0.004 0.000 1.066 179 A HN 0.285 nan 8.150 nan 0.000 0.516 180 S N 1.168 116.883 115.700 0.026 0.000 2.565 180 S HA 0.308 4.777 4.470 -0.002 0.000 0.276 180 S C -1.005 173.610 174.600 0.024 0.000 1.326 180 S CA -0.991 57.241 58.200 0.053 0.000 1.045 180 S CB 0.774 64.039 63.200 0.108 0.000 0.918 180 S HN 0.306 nan 8.310 nan 0.000 0.505 181 P HA 0.029 nan 4.420 nan 0.000 0.230 181 P C -0.242 176.940 177.300 -0.197 0.000 1.158 181 P CA 0.581 63.589 63.100 -0.153 0.000 0.769 181 P CB -0.079 31.467 31.700 -0.257 0.000 0.807 182 F N 0.433 120.375 119.950 -0.013 0.000 2.368 182 F HA 0.250 4.775 4.527 -0.002 0.000 0.362 182 F C 2.003 177.792 175.800 -0.019 0.000 1.137 182 F CA -0.588 57.405 58.000 -0.013 0.000 1.161 182 F CB -0.030 38.965 39.000 -0.009 0.000 1.265 182 F HN -0.269 nan 8.300 nan 0.000 0.530 183 I N 1.756 122.408 120.570 0.138 0.000 2.248 183 I HA -0.297 3.872 4.170 -0.002 0.000 0.248 183 I C 2.327 178.488 176.117 0.073 0.000 1.107 183 I CA 0.980 62.327 61.300 0.078 0.000 1.373 183 I CB -0.392 37.638 38.000 0.049 0.000 1.055 183 I HN 0.439 nan 8.210 nan 0.000 0.418 184 V N 1.052 121.026 119.914 0.100 0.000 2.568 184 V HA -0.251 3.868 4.120 -0.002 0.000 0.253 184 V C 2.169 178.253 176.094 -0.017 0.000 1.072 184 V CA 1.619 63.947 62.300 0.048 0.000 1.084 184 V CB -0.224 31.633 31.823 0.056 0.000 0.676 184 V HN 0.369 nan 8.190 nan 0.000 0.469 185 M N -0.246 119.350 119.600 -0.007 0.000 2.561 185 M HA 0.161 4.640 4.480 -0.002 0.000 0.238 185 M C 0.735 176.973 176.300 -0.103 0.000 1.131 185 M CA 0.487 55.724 55.300 -0.105 0.000 1.046 185 M CB -0.582 31.977 32.600 -0.068 0.000 1.532 185 M HN 0.231 nan 8.290 nan 0.000 0.497 186 R N 1.934 122.409 120.500 -0.042 0.000 3.710 186 R HA 0.129 4.468 4.340 -0.002 0.000 0.201 186 R C -0.713 175.564 176.300 -0.038 0.000 1.641 186 R CA -0.137 55.949 56.100 -0.024 0.000 1.390 186 R CB -0.997 29.311 30.300 0.013 0.000 1.341 186 R HN 0.155 nan 8.270 nan 0.000 0.728 187 D N 1.481 121.829 120.400 -0.086 0.000 2.737 187 D HA -0.108 4.531 4.640 -0.002 0.000 0.238 187 D C -2.253 173.980 176.300 -0.112 0.000 1.157 187 D CA 0.605 54.557 54.000 -0.080 0.000 0.694 187 D CB -0.352 40.481 40.800 0.056 0.000 1.021 187 D HN 0.362 nan 8.370 nan 0.000 0.420 188 P HA 0.007 nan 4.420 nan 0.000 0.268 188 P C 0.201 177.410 177.300 -0.151 0.000 1.205 188 P CA -0.362 62.666 63.100 -0.120 0.000 0.771 188 P CB 0.855 32.489 31.700 -0.110 0.000 0.858 189 V N 4.255 124.098 119.914 -0.117 0.000 2.655 189 V HA -0.082 4.037 4.120 -0.002 0.000 0.300 189 V C 1.729 177.724 176.094 -0.166 0.000 1.044 189 V CA 0.364 62.579 62.300 -0.142 0.000 1.095 189 V CB 0.272 32.043 31.823 -0.087 0.000 0.952 189 V HN 0.472 nan 8.190 nan 0.000 0.485 190 L N 4.461 125.539 121.223 -0.242 0.000 2.388 190 L HA 0.378 4.717 4.340 -0.002 0.000 0.209 190 L C 0.003 176.660 176.870 -0.356 0.000 1.061 190 L CA 0.947 55.550 54.840 -0.395 0.000 0.834 190 L CB -0.301 41.387 42.059 -0.619 0.000 1.029 190 L HN 0.595 nan 8.230 nan 0.000 0.473 191 Y N -0.792 119.408 120.300 -0.166 0.000 2.504 191 Y HA 0.567 5.116 4.550 -0.002 0.000 0.344 191 Y C -0.360 175.529 175.900 -0.019 0.000 1.023 191 Y CA -1.239 56.843 58.100 -0.030 0.000 1.020 191 Y CB 1.607 40.132 38.460 0.109 0.000 1.282 191 Y HN -0.034 nan 8.280 nan 0.000 0.454 192 R N 1.138 121.746 120.500 0.181 0.000 2.808 192 R HA 0.707 5.046 4.340 -0.002 0.000 0.272 192 R C -1.871 174.489 176.300 0.100 0.000 0.995 192 R CA -0.886 55.272 56.100 0.096 0.000 0.917 192 R CB 1.002 31.332 30.300 0.050 0.000 1.217 192 R HN 0.537 nan 8.270 nan 0.000 0.471 193 I N 1.613 122.198 120.570 0.025 0.000 2.395 193 I HA 0.324 4.493 4.170 -0.002 0.000 0.289 193 I C -0.150 175.921 176.117 -0.077 0.000 1.023 193 I CA -0.230 61.029 61.300 -0.068 0.000 1.350 193 I CB 0.864 38.800 38.000 -0.107 0.000 1.409 193 I HN 0.384 nan 8.210 nan 0.000 0.507 194 K N 6.818 127.150 120.400 -0.113 0.000 2.687 194 K HA 0.304 4.623 4.320 -0.002 0.000 0.249 194 K C -1.318 175.249 176.600 -0.054 0.000 0.994 194 K CA -0.551 55.722 56.287 -0.024 0.000 0.913 194 K CB 1.577 34.122 32.500 0.074 0.000 1.202 194 K HN 0.320 nan 8.250 nan 0.000 0.460 195 F N 2.356 122.402 119.950 0.160 0.000 2.661 195 F HA 0.265 4.791 4.527 -0.002 0.000 0.356 195 F C 0.628 176.502 175.800 0.124 0.000 1.244 195 F CA -0.294 57.792 58.000 0.142 0.000 1.290 195 F CB 0.443 39.499 39.000 0.093 0.000 1.677 195 F HN 0.418 nan 8.300 nan 0.000 0.649 196 A N 1.187 124.156 122.820 0.248 0.000 2.449 196 A HA 0.481 4.800 4.320 -0.002 0.000 0.302 196 A C -0.540 177.150 177.584 0.177 0.000 1.048 196 A CA -0.827 51.304 52.037 0.156 0.000 0.708 196 A CB 1.022 20.050 19.000 0.046 0.000 1.274 196 A HN 0.391 nan 8.150 nan 0.000 0.410 197 E N 1.480 121.764 120.200 0.141 0.000 2.344 197 E HA 0.104 4.452 4.350 -0.002 0.000 0.270 197 E C -0.762 175.917 176.600 0.131 0.000 1.021 197 E CA -0.205 56.289 56.400 0.156 0.000 0.887 197 E CB 0.368 30.134 29.700 0.109 0.000 0.997 197 E HN 0.687 nan 8.360 nan 0.000 0.429 198 H N 3.281 122.402 119.070 0.085 0.000 2.473 198 H HA 0.051 4.606 4.556 -0.002 0.000 0.327 198 H C 0.613 175.879 175.328 -0.104 0.000 1.105 198 H CA -0.254 55.774 56.048 -0.034 0.000 1.280 198 H CB 0.910 30.750 29.762 0.131 0.000 1.450 198 H HN 0.746 nan 8.280 nan 0.000 0.492 199 H N 1.868 120.919 119.070 -0.032 0.000 2.518 199 H HA -0.070 4.485 4.556 -0.002 0.000 0.292 199 H C 0.767 176.152 175.328 0.094 0.000 1.068 199 H CA 1.246 57.294 56.048 0.001 0.000 1.275 199 H CB 0.381 30.063 29.762 -0.133 0.000 1.375 199 H HN 0.458 nan 8.280 nan 0.000 0.563 200 Q N 0.064 119.981 119.800 0.196 0.000 2.471 200 Q HA 0.084 4.423 4.340 -0.002 0.000 0.241 200 Q C 1.639 177.617 176.000 -0.037 0.000 0.886 200 Q CA 1.499 57.299 55.803 -0.006 0.000 0.953 200 Q CB 0.424 29.032 28.738 -0.218 0.000 1.108 200 Q HN 0.717 nan 8.270 nan 0.000 0.575 201 T N -2.228 112.323 114.554 -0.005 0.000 3.105 201 T HA 0.413 4.762 4.350 -0.002 0.000 0.253 201 T C 1.190 175.979 174.700 0.148 0.000 1.047 201 T CA 0.554 62.691 62.100 0.060 0.000 0.944 201 T CB 0.407 69.371 68.868 0.161 0.000 1.016 201 T HN 0.356 nan 8.240 nan 0.000 0.544 202 G N 2.943 111.836 108.800 0.155 0.000 2.629 202 G HA2 -0.347 3.611 3.960 -0.002 0.000 0.313 202 G HA3 -0.347 3.611 3.960 -0.002 0.000 0.313 202 G C 0.352 175.360 174.900 0.180 0.000 1.217 202 G CA 0.401 45.582 45.100 0.136 0.000 0.994 202 G HN 0.536 nan 8.290 nan 0.000 0.549 203 N N 1.030 119.804 118.700 0.124 0.000 2.401 203 N HA 0.142 4.881 4.740 -0.002 0.000 0.264 203 N C 1.408 176.952 175.510 0.056 0.000 1.238 203 N CA 0.402 53.529 53.050 0.128 0.000 0.889 203 N CB 1.066 39.612 38.487 0.098 0.000 1.196 203 N HN 0.669 nan 8.380 nan 0.000 0.511 204 K N -0.283 120.136 120.400 0.031 0.000 2.296 204 K HA -0.008 4.311 4.320 -0.002 0.000 0.200 204 K C -0.511 175.846 176.600 -0.404 0.000 1.048 204 K CA 0.710 56.883 56.287 -0.190 0.000 0.966 204 K CB 0.356 32.732 32.500 -0.208 0.000 0.754 204 K HN 0.049 nan 8.250 nan 0.000 0.466 205 W N -0.626 120.583 121.300 -0.151 0.000 2.819 205 W HA 0.243 4.902 4.660 -0.002 0.000 0.337 205 W C 0.333 176.653 176.519 -0.332 0.000 1.077 205 W CA -1.194 55.930 57.345 -0.369 0.000 1.226 205 W CB 1.342 30.364 29.460 -0.731 0.000 1.419 205 W HN 0.037 nan 8.180 nan 0.000 0.502 206 C N 0.703 119.939 119.300 -0.107 0.000 3.385 206 C HA 0.605 5.064 4.460 -0.002 0.000 0.288 206 C C 0.272 175.122 174.990 -0.234 0.000 1.429 206 C CA -0.423 58.493 59.018 -0.168 0.000 1.778 206 C CB -1.714 25.845 27.740 -0.302 0.000 2.503 206 C HN 0.440 nan 8.230 nan 0.000 0.646 207 I N -1.585 118.821 120.570 -0.274 0.000 2.498 207 I HA 0.773 4.942 4.170 -0.002 0.000 0.290 207 I C -1.596 174.294 176.117 -0.378 0.000 1.032 207 I CA -0.882 60.338 61.300 -0.133 0.000 1.073 207 I CB 1.272 39.243 38.000 -0.049 0.000 1.251 207 I HN -0.008 nan 8.210 nan 0.000 0.426 208 Y N 5.367 125.673 120.300 0.010 0.000 2.446 208 Y HA 0.614 5.163 4.550 -0.002 0.000 0.345 208 Y C -2.453 173.310 175.900 -0.227 0.000 0.984 208 Y CA -2.502 55.477 58.100 -0.202 0.000 1.058 208 Y CB 2.074 40.440 38.460 -0.157 0.000 1.220 208 Y HN 0.443 nan 8.280 nan 0.000 0.455 209 P HA 0.098 nan 4.420 nan 0.000 0.274 209 P C -0.508 176.689 177.300 -0.173 0.000 1.231 209 P CA -0.115 62.594 63.100 -0.652 0.000 0.790 209 P CB 0.889 32.336 31.700 -0.422 0.000 0.951 210 M N 1.971 121.485 119.600 -0.143 0.000 2.227 210 M HA 0.085 4.564 4.480 -0.002 0.000 0.316 210 M C 1.598 177.958 176.300 0.100 0.000 1.144 210 M CA -0.495 54.818 55.300 0.020 0.000 1.121 210 M CB -0.332 32.269 32.600 0.002 0.000 1.440 210 M HN 0.459 nan 8.290 nan 0.000 0.473 211 Y N 2.142 122.483 120.300 0.069 0.000 2.030 211 Y HA -0.306 4.243 4.550 -0.002 0.000 0.274 211 Y C 1.697 177.651 175.900 0.090 0.000 1.153 211 Y CA 2.452 60.604 58.100 0.088 0.000 1.115 211 Y CB -0.336 38.178 38.460 0.090 0.000 0.969 211 Y HN 0.690 nan 8.280 nan 0.000 0.488 212 D N -0.385 119.750 120.400 -0.441 0.000 2.133 212 D HA -0.233 4.406 4.640 -0.002 0.000 0.195 212 D C 2.086 178.239 176.300 -0.244 0.000 0.997 212 D CA 1.852 55.571 54.000 -0.469 0.000 0.840 212 D CB -0.654 40.093 40.800 -0.089 0.000 0.947 212 D HN 0.414 nan 8.370 nan 0.000 0.452 213 F N 2.048 121.851 119.950 -0.246 0.000 2.051 213 F HA -0.195 4.331 4.527 -0.002 0.000 0.296 213 F C 2.507 178.166 175.800 -0.234 0.000 1.122 213 F CA 1.500 59.377 58.000 -0.205 0.000 1.201 213 F CB -0.823 38.073 39.000 -0.172 0.000 0.978 213 F HN -0.150 nan 8.300 nan 0.000 0.472 214 T N -1.301 113.135 114.554 -0.197 0.000 2.665 214 T HA -0.311 4.038 4.350 -0.002 0.000 0.268 214 T C 1.794 176.317 174.700 -0.295 0.000 1.035 214 T CA 2.144 64.102 62.100 -0.236 0.000 1.151 214 T CB -0.805 68.056 68.868 -0.011 0.000 0.862 214 T HN 0.482 nan 8.240 nan 0.000 0.438 215 H N 0.036 118.869 119.070 -0.395 0.000 2.389 215 H HA -0.082 4.473 4.556 -0.002 0.000 0.299 215 H C 2.553 177.599 175.328 -0.470 0.000 1.081 215 H CA 1.766 57.587 56.048 -0.378 0.000 1.345 215 H CB -0.269 29.223 29.762 -0.450 0.000 1.393 215 H HN 0.615 nan 8.280 nan 0.000 0.520 216 C N -0.702 118.254 119.300 -0.572 0.000 2.450 216 C HA 0.071 4.530 4.460 -0.002 0.000 0.279 216 C C 2.522 177.041 174.990 -0.785 0.000 1.335 216 C CA 0.076 58.437 59.018 -1.095 0.000 1.749 216 C CB -1.067 25.717 27.740 -1.594 0.000 1.963 216 C HN 0.539 nan 8.230 nan 0.000 0.501 217 I N 1.909 122.065 120.570 -0.690 0.000 2.286 217 I HA -0.117 4.051 4.170 -0.002 0.000 0.245 217 I C 2.808 178.577 176.117 -0.580 0.000 1.104 217 I CA 1.458 62.361 61.300 -0.662 0.000 1.397 217 I CB -0.428 37.130 38.000 -0.736 0.000 1.072 217 I HN 0.291 nan 8.210 nan 0.000 0.417 218 S N 0.571 115.949 115.700 -0.537 0.000 2.359 218 S HA -0.210 4.259 4.470 -0.002 0.000 0.224 218 S C 1.631 175.942 174.600 -0.482 0.000 1.035 218 S CA 1.509 59.377 58.200 -0.553 0.000 1.018 218 S CB -0.324 62.676 63.200 -0.332 0.000 0.876 218 S HN 0.419 nan 8.310 nan 0.000 0.448 219 D N 1.542 121.693 120.400 -0.414 0.000 2.104 219 D HA -0.049 4.590 4.640 -0.002 0.000 0.194 219 D C 2.179 178.307 176.300 -0.287 0.000 0.994 219 D CA 1.371 55.198 54.000 -0.288 0.000 0.830 219 D CB -0.492 40.237 40.800 -0.118 0.000 0.959 219 D HN 0.378 nan 8.370 nan 0.000 0.452 220 A N 0.633 123.255 122.820 -0.330 0.000 1.902 220 A HA -0.109 4.210 4.320 -0.002 0.000 0.217 220 A C 2.429 179.842 177.584 -0.285 0.000 1.181 220 A CA 0.901 52.761 52.037 -0.295 0.000 0.623 220 A CB -0.780 18.006 19.000 -0.357 0.000 0.818 220 A HN 0.225 nan 8.150 nan 0.000 0.443 221 L N -0.904 120.102 121.223 -0.362 0.000 2.201 221 L HA -0.139 4.200 4.340 -0.002 0.000 0.212 221 L C 2.216 178.923 176.870 -0.272 0.000 1.105 221 L CA 1.235 55.881 54.840 -0.324 0.000 0.775 221 L CB -0.412 41.359 42.059 -0.480 0.000 0.913 221 L HN 0.466 nan 8.230 nan 0.000 0.440 222 E N -0.251 119.765 120.200 -0.306 0.000 2.478 222 E HA 0.027 4.376 4.350 -0.002 0.000 0.194 222 E C 1.242 177.636 176.600 -0.344 0.000 1.045 222 E CA 0.428 56.670 56.400 -0.264 0.000 0.868 222 E CB 0.222 29.767 29.700 -0.258 0.000 0.885 222 E HN 0.504 nan 8.360 nan 0.000 0.505 223 G N 1.695 110.325 108.800 -0.284 0.000 2.147 223 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.244 223 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.244 223 G C 0.221 174.925 174.900 -0.327 0.000 1.005 223 G CA -0.244 44.707 45.100 -0.248 0.000 0.713 223 G HN 0.135 nan 8.290 nan 0.000 0.515 224 I N 1.526 121.892 120.570 -0.341 0.000 2.710 224 I HA 0.127 4.296 4.170 -0.002 0.000 0.286 224 I C 1.984 178.002 176.117 -0.165 0.000 1.181 224 I CA 1.430 62.578 61.300 -0.253 0.000 1.430 224 I CB 0.698 38.596 38.000 -0.170 0.000 1.367 224 I HN 0.402 nan 8.210 nan 0.000 0.577 225 T N 2.567 117.019 114.554 -0.169 0.000 3.023 225 T HA 0.134 4.482 4.350 -0.002 0.000 0.249 225 T C 0.585 174.949 174.700 -0.561 0.000 1.050 225 T CA 0.365 62.205 62.100 -0.432 0.000 1.088 225 T CB 0.161 68.556 68.868 -0.788 0.000 0.946 225 T HN 0.565 nan 8.240 nan 0.000 0.480 226 H N 1.135 120.182 119.070 -0.038 0.000 3.036 226 H HA 0.465 5.020 4.556 -0.001 0.000 0.295 226 H C -1.064 174.315 175.328 0.085 0.000 1.124 226 H CA -0.601 55.502 56.048 0.092 0.000 1.507 226 H CB 1.428 31.200 29.762 0.016 0.000 1.591 226 H HN 0.151 nan 8.280 nan 0.000 0.510 227 S N 4.614 120.398 115.700 0.140 0.000 2.423 227 S HA 0.218 4.687 4.470 -0.002 0.000 0.302 227 S C 0.306 174.994 174.600 0.147 0.000 1.143 227 S CA -0.683 57.583 58.200 0.109 0.000 1.080 227 S CB -0.507 62.728 63.200 0.060 0.000 1.081 227 S HN 0.400 nan 8.310 nan 0.000 0.522 228 L N 7.654 128.990 121.223 0.189 0.000 2.255 228 L HA 0.589 4.928 4.340 -0.002 0.000 0.289 228 L C 0.753 177.808 176.870 0.309 0.000 1.046 228 L CA -0.642 54.365 54.840 0.278 0.000 0.816 228 L CB 0.292 42.492 42.059 0.235 0.000 1.197 228 L HN 0.590 nan 8.230 nan 0.000 0.427 229 R N 1.262 121.900 120.500 0.231 0.000 2.922 229 R HA 0.688 5.027 4.340 -0.002 0.000 0.256 229 R C -0.537 175.643 176.300 -0.201 0.000 1.138 229 R CA -0.690 55.449 56.100 0.065 0.000 0.995 229 R CB 1.018 31.269 30.300 -0.080 0.000 1.226 229 R HN 0.437 nan 8.270 nan 0.000 0.481 230 T N -0.998 113.465 114.554 -0.152 0.000 2.899 230 T HA 0.202 4.551 4.350 -0.002 0.000 0.284 230 T C 1.399 176.043 174.700 -0.093 0.000 1.004 230 T CA -0.882 60.995 62.100 -0.371 0.000 1.043 230 T CB 0.712 69.442 68.868 -0.231 0.000 1.013 230 T HN 0.323 nan 8.240 nan 0.000 0.518 231 L N 1.178 122.301 121.223 -0.165 0.000 2.151 231 L HA -0.133 4.206 4.340 -0.002 0.000 0.215 231 L C 2.354 179.163 176.870 -0.102 0.000 1.084 231 L CA 1.769 56.558 54.840 -0.085 0.000 0.764 231 L CB -1.446 40.565 42.059 -0.080 0.000 0.891 231 L HN 0.780 nan 8.230 nan 0.000 0.435 232 E N -1.975 118.088 120.200 -0.228 0.000 2.338 232 E HA -0.156 4.193 4.350 -0.002 0.000 0.197 232 E C 1.543 177.903 176.600 -0.400 0.000 1.007 232 E CA 0.817 57.002 56.400 -0.359 0.000 0.849 232 E CB -0.406 28.965 29.700 -0.549 0.000 0.774 232 E HN 0.426 nan 8.360 nan 0.000 0.506 233 F N 0.655 120.573 119.950 -0.053 0.000 2.732 233 F HA 0.194 4.720 4.527 -0.002 0.000 0.303 233 F C 2.034 177.829 175.800 -0.010 0.000 1.110 233 F CA -0.115 57.875 58.000 -0.016 0.000 1.355 233 F CB -0.065 38.926 39.000 -0.015 0.000 1.081 233 F HN -0.032 nan 8.300 nan 0.000 0.565 234 Q N 0.724 120.582 119.800 0.097 0.000 2.061 234 Q HA -0.208 4.131 4.340 -0.002 0.000 0.204 234 Q C 1.723 177.768 176.000 0.076 0.000 0.984 234 Q CA 2.056 57.901 55.803 0.069 0.000 0.846 234 Q CB -0.012 28.753 28.738 0.044 0.000 0.902 234 Q HN 0.311 nan 8.270 nan 0.000 0.421 235 D N -0.176 120.281 120.400 0.096 0.000 2.144 235 D HA -0.148 4.491 4.640 -0.002 0.000 0.199 235 D C 1.332 177.670 176.300 0.064 0.000 0.984 235 D CA 0.885 54.970 54.000 0.143 0.000 0.834 235 D CB -0.354 40.547 40.800 0.168 0.000 0.955 235 D HN 0.396 nan 8.370 nan 0.000 0.465 236 N N 1.263 120.025 118.700 0.104 0.000 2.443 236 N HA -0.153 4.586 4.740 -0.002 0.000 0.184 236 N C 1.932 177.475 175.510 0.055 0.000 1.037 236 N CA 0.158 53.279 53.050 0.118 0.000 0.896 236 N CB -0.016 38.633 38.487 0.270 0.000 0.959 236 N HN 0.287 nan 8.380 nan 0.000 0.442 237 R N 1.904 122.405 120.500 0.001 0.000 2.134 237 R HA -0.171 4.168 4.340 -0.002 0.000 0.248 237 R C 1.620 177.885 176.300 -0.059 0.000 1.143 237 R CA 1.658 57.722 56.100 -0.060 0.000 0.957 237 R CB -0.069 30.170 30.300 -0.101 0.000 0.867 237 R HN 0.025 nan 8.270 nan 0.000 0.441 238 R N 0.262 120.647 120.500 -0.191 0.000 2.189 238 R HA -0.073 4.266 4.340 -0.002 0.000 0.223 238 R C 1.970 178.261 176.300 -0.014 0.000 1.092 238 R CA 0.786 56.771 56.100 -0.191 0.000 0.989 238 R CB -0.404 29.582 30.300 -0.524 0.000 0.876 238 R HN 0.278 nan 8.270 nan 0.000 0.457 239 L N -1.103 120.129 121.223 0.016 0.000 2.209 239 L HA 0.004 4.343 4.340 -0.002 0.000 0.207 239 L C 1.756 178.742 176.870 0.194 0.000 1.094 239 L CA 1.429 56.325 54.840 0.094 0.000 0.790 239 L CB -0.606 41.474 42.059 0.034 0.000 0.932 239 L HN 0.139 nan 8.230 nan 0.000 0.447 240 Y N 0.861 121.163 120.300 0.003 0.000 2.097 240 Y HA -0.266 4.283 4.550 -0.002 0.000 0.282 240 Y C 2.205 178.084 175.900 -0.035 0.000 1.152 240 Y CA 2.297 60.369 58.100 -0.046 0.000 1.136 240 Y CB -0.344 38.071 38.460 -0.075 0.000 0.975 240 Y HN 0.323 nan 8.280 nan 0.000 0.498 241 D N -1.127 119.485 120.400 0.353 0.000 2.178 241 D HA -0.212 4.427 4.640 -0.002 0.000 0.202 241 D C 1.838 178.259 176.300 0.203 0.000 0.974 241 D CA 1.231 55.422 54.000 0.318 0.000 0.841 241 D CB -0.881 40.095 40.800 0.294 0.000 0.953 241 D HN 0.576 nan 8.370 nan 0.000 0.478 242 W N 1.982 123.298 121.300 0.027 0.000 2.354 242 W HA -0.238 4.421 4.660 -0.002 0.000 0.315 242 W C 2.153 178.655 176.519 -0.029 0.000 1.206 242 W CA 1.363 58.709 57.345 0.002 0.000 1.290 242 W CB -0.469 28.986 29.460 -0.009 0.000 1.152 242 W HN -0.258 nan 8.180 nan 0.000 0.489 243 V N 1.510 121.498 119.914 0.124 0.000 2.231 243 V HA -0.375 3.743 4.120 -0.002 0.000 0.248 243 V C 2.400 178.281 176.094 -0.355 0.000 1.054 243 V CA 2.327 64.555 62.300 -0.119 0.000 1.015 243 V CB -1.325 30.510 31.823 0.019 0.000 0.638 243 V HN 0.278 nan 8.190 nan 0.000 0.444 244 L N -0.216 120.780 121.223 -0.379 0.000 2.131 244 L HA -0.189 4.150 4.340 -0.002 0.000 0.210 244 L C 2.257 178.948 176.870 -0.298 0.000 1.092 244 L CA 1.482 56.047 54.840 -0.459 0.000 0.759 244 L CB -0.827 40.793 42.059 -0.732 0.000 0.903 244 L HN 0.367 nan 8.230 nan 0.000 0.435 245 D N -0.107 120.172 120.400 -0.202 0.000 2.269 245 D HA -0.105 4.534 4.640 -0.002 0.000 0.208 245 D C 1.529 177.671 176.300 -0.263 0.000 0.963 245 D CA 0.861 54.779 54.000 -0.137 0.000 0.864 245 D CB -0.049 40.701 40.800 -0.084 0.000 0.936 245 D HN 0.352 nan 8.370 nan 0.000 0.505 246 N N 0.291 118.729 118.700 -0.437 0.000 2.205 246 N HA 0.113 4.852 4.740 -0.002 0.000 0.201 246 N C 0.679 176.014 175.510 -0.291 0.000 1.128 246 N CA 0.006 52.783 53.050 -0.454 0.000 0.867 246 N CB 1.564 39.536 38.487 -0.858 0.000 0.996 246 N HN 0.369 nan 8.380 nan 0.000 0.503 247 I N -2.523 117.899 120.570 -0.247 0.000 3.133 247 I HA 0.448 4.617 4.170 -0.002 0.000 0.311 247 I C -0.409 175.667 176.117 -0.067 0.000 1.072 247 I CA -0.669 60.559 61.300 -0.121 0.000 1.015 247 I CB 1.688 39.554 38.000 -0.224 0.000 1.233 247 I HN -0.361 nan 8.210 nan 0.000 0.473 248 T N 4.294 118.905 114.554 0.096 0.000 2.997 248 T HA 0.548 4.897 4.350 -0.002 0.000 0.311 248 T C -0.409 174.354 174.700 0.105 0.000 1.079 248 T CA 0.146 62.294 62.100 0.081 0.000 0.982 248 T CB -0.638 68.283 68.868 0.088 0.000 1.032 248 T HN 0.424 nan 8.240 nan 0.000 0.581 249 I N 4.943 125.494 120.570 -0.032 0.000 2.607 249 I HA 0.351 4.520 4.170 -0.002 0.000 0.290 249 I C -1.573 174.504 176.117 -0.067 0.000 1.129 249 I CA -2.278 58.979 61.300 -0.072 0.000 1.042 249 I CB 2.971 40.815 38.000 -0.259 0.000 1.242 249 I HN 0.277 nan 8.210 nan 0.000 0.421 250 P HA 0.012 nan 4.420 nan 0.000 0.229 250 P C 0.012 177.298 177.300 -0.023 0.000 1.160 250 P CA 0.746 63.829 63.100 -0.028 0.000 0.777 250 P CB 0.133 31.823 31.700 -0.017 0.000 0.814 251 V N -2.668 117.219 119.914 -0.045 0.000 3.046 251 V HA 0.598 4.717 4.120 -0.002 0.000 0.316 251 V C -1.032 175.063 176.094 0.002 0.000 1.104 251 V CA -1.120 61.173 62.300 -0.012 0.000 1.006 251 V CB 2.007 33.811 31.823 -0.031 0.000 1.058 251 V HN 0.067 nan 8.190 nan 0.000 0.440 252 H N 1.820 120.864 119.070 -0.043 0.000 2.808 252 H HA 0.578 5.133 4.556 -0.002 0.000 0.268 252 H C -2.844 172.488 175.328 0.007 0.000 1.306 252 H CA -1.582 54.450 56.048 -0.027 0.000 1.565 252 H CB 1.504 31.248 29.762 -0.030 0.000 1.632 252 H HN 0.687 nan 8.280 nan 0.000 0.525 253 P HA 0.029 nan 4.420 nan 0.000 0.268 253 P C -0.478 176.886 177.300 0.108 0.000 1.208 253 P CA -0.235 62.927 63.100 0.104 0.000 0.777 253 P CB 0.692 32.439 31.700 0.079 0.000 0.875 254 R N 1.957 122.435 120.500 -0.037 0.000 2.474 254 R HA 0.377 4.715 4.340 -0.002 0.000 0.295 254 R C 0.104 176.179 176.300 -0.375 0.000 0.980 254 R CA -0.596 55.391 56.100 -0.188 0.000 0.934 254 R CB 0.964 31.205 30.300 -0.098 0.000 1.101 254 R HN 0.565 nan 8.270 nan 0.000 0.469 255 Q N 1.450 120.866 119.800 -0.639 0.000 2.226 255 Q HA 0.513 4.851 4.340 -0.002 0.000 0.256 255 Q C -1.132 174.341 176.000 -0.877 0.000 0.962 255 Q CA -0.433 55.015 55.803 -0.591 0.000 0.887 255 Q CB 1.679 30.092 28.738 -0.542 0.000 1.282 255 Q HN 0.402 nan 8.270 nan 0.000 0.449 256 Y N -0.092 120.234 120.300 0.043 0.000 2.399 256 Y HA 0.293 4.842 4.550 -0.001 0.000 0.327 256 Y C -0.958 175.060 175.900 0.197 0.000 1.111 256 Y CA -0.985 57.201 58.100 0.142 0.000 1.047 256 Y CB 1.822 40.359 38.460 0.127 0.000 1.259 256 Y HN 0.509 nan 8.280 nan 0.000 0.434 257 E N 3.432 123.848 120.200 0.360 0.000 2.202 257 E HA 0.685 5.034 4.350 -0.002 0.000 0.272 257 E C -1.171 175.690 176.600 0.434 0.000 0.951 257 E CA -0.708 55.844 56.400 0.253 0.000 0.813 257 E CB 1.637 31.404 29.700 0.113 0.000 1.151 257 E HN 0.372 nan 8.360 nan 0.000 0.398 258 F N -1.333 118.784 119.950 0.278 0.000 2.620 258 F HA 0.686 5.213 4.527 -0.001 0.000 0.320 258 F C -0.109 175.794 175.800 0.171 0.000 1.069 258 F CA -1.509 56.668 58.000 0.294 0.000 0.953 258 F CB 0.865 40.019 39.000 0.256 0.000 1.322 258 F HN 0.285 nan 8.300 nan 0.000 0.479 259 S N 1.164 116.997 115.700 0.221 0.000 2.564 259 S HA 0.450 4.919 4.470 -0.002 0.000 0.278 259 S C -0.145 174.514 174.600 0.098 0.000 1.333 259 S CA -1.045 57.198 58.200 0.072 0.000 1.048 259 S CB 0.543 63.795 63.200 0.086 0.000 0.900 259 S HN 0.927 nan 8.310 nan 0.000 0.505 260 R N 1.334 121.830 120.500 -0.006 0.000 2.582 260 R HA 0.510 4.849 4.340 -0.002 0.000 0.271 260 R C -0.229 176.110 176.300 0.064 0.000 1.078 260 R CA -0.985 55.142 56.100 0.045 0.000 1.127 260 R CB 0.082 30.375 30.300 -0.012 0.000 1.038 260 R HN 0.575 nan 8.270 nan 0.000 0.500 261 L N 1.685 122.959 121.223 0.085 0.000 2.397 261 L HA 0.255 4.594 4.340 -0.002 0.000 0.271 261 L C -0.909 175.954 176.870 -0.011 0.000 1.148 261 L CA 0.261 55.134 54.840 0.054 0.000 0.825 261 L CB 0.626 42.739 42.059 0.091 0.000 1.117 261 L HN 0.638 nan 8.230 nan 0.000 0.456 262 N N 5.272 123.972 118.700 0.000 0.000 2.249 262 N HA 0.459 5.198 4.740 -0.002 0.000 0.296 262 N C -1.652 173.863 175.510 0.009 0.000 1.051 262 N CA -0.454 52.575 53.050 -0.035 0.000 0.815 262 N CB 2.431 40.888 38.487 -0.049 0.000 1.487 262 N HN 0.591 nan 8.380 nan 0.000 0.475 263 L N 1.298 122.516 121.223 -0.008 0.000 2.346 263 L HA 0.399 4.738 4.340 -0.002 0.000 0.276 263 L C 0.291 177.166 176.870 0.008 0.000 1.006 263 L CA -0.627 54.234 54.840 0.035 0.000 0.817 263 L CB 1.810 43.885 42.059 0.027 0.000 1.272 263 L HN 0.406 nan 8.230 nan 0.000 0.421 264 E N 3.055 123.273 120.200 0.031 0.000 2.404 264 E HA 0.020 4.369 4.350 -0.002 0.000 0.261 264 E C -0.841 175.809 176.600 0.084 0.000 1.074 264 E CA 0.095 56.465 56.400 -0.049 0.000 0.917 264 E CB 0.390 30.061 29.700 -0.048 0.000 0.965 264 E HN 0.485 nan 8.360 nan 0.000 0.433 265 Y N -1.440 118.889 120.300 0.050 0.000 4.490 265 Y HA -0.281 4.268 4.550 -0.002 0.000 0.233 265 Y C 0.300 176.335 175.900 0.226 0.000 1.101 265 Y CA 1.208 59.385 58.100 0.128 0.000 2.010 265 Y CB -1.803 36.732 38.460 0.126 0.000 1.622 265 Y HN 0.529 nan 8.280 nan 0.000 0.675 266 T N -1.366 113.288 114.554 0.167 0.000 2.739 266 T HA 0.723 5.072 4.350 -0.002 0.000 0.303 266 T C -1.032 173.617 174.700 -0.085 0.000 1.389 266 T CA -0.220 61.994 62.100 0.190 0.000 1.001 266 T CB 1.118 70.098 68.868 0.185 0.000 1.436 266 T HN 0.575 nan 8.240 nan 0.000 0.500 267 V N 0.973 120.848 119.914 -0.064 0.000 2.732 267 V HA 0.884 5.003 4.120 -0.002 0.000 0.310 267 V C -0.152 175.864 176.094 -0.130 0.000 1.053 267 V CA -0.850 61.333 62.300 -0.196 0.000 0.957 267 V CB 1.568 33.217 31.823 -0.290 0.000 1.018 267 V HN 0.838 nan 8.190 nan 0.000 0.452 268 M N 3.960 123.448 119.600 -0.187 0.000 3.004 268 M HA 0.457 4.936 4.480 -0.002 0.000 0.365 268 M C -0.107 176.095 176.300 -0.163 0.000 1.317 268 M CA 0.058 55.185 55.300 -0.288 0.000 0.821 268 M CB 0.054 32.426 32.600 -0.379 0.000 1.387 268 M HN 1.069 nan 8.290 nan 0.000 0.501 269 S N -2.015 113.692 115.700 0.011 0.000 2.536 269 S HA 0.530 4.999 4.470 -0.002 0.000 0.287 269 S C 0.547 175.267 174.600 0.201 0.000 1.101 269 S CA -0.916 57.354 58.200 0.116 0.000 0.950 269 S CB 1.881 65.075 63.200 -0.011 0.000 1.056 269 S HN 0.356 nan 8.310 nan 0.000 0.481 270 K N 0.765 121.320 120.400 0.259 0.000 2.209 270 K HA -0.061 4.258 4.320 -0.002 0.000 0.204 270 K C 2.105 178.854 176.600 0.249 0.000 1.048 270 K CA 0.582 57.060 56.287 0.319 0.000 0.940 270 K CB -0.141 32.500 32.500 0.235 0.000 0.729 270 K HN 0.498 nan 8.250 nan 0.000 0.451 271 R N 2.120 122.702 120.500 0.136 0.000 2.075 271 R HA -0.090 4.249 4.340 -0.002 0.000 0.232 271 R C 1.603 177.947 176.300 0.073 0.000 1.126 271 R CA 1.605 57.764 56.100 0.098 0.000 0.963 271 R CB 0.028 30.358 30.300 0.051 0.000 0.858 271 R HN 0.146 nan 8.270 nan 0.000 0.435 272 K N 0.045 120.443 120.400 -0.003 0.000 2.186 272 K HA 0.030 4.349 4.320 -0.002 0.000 0.202 272 K C 2.199 178.838 176.600 0.065 0.000 1.052 272 K CA 0.661 56.914 56.287 -0.056 0.000 0.965 272 K CB 0.016 32.214 32.500 -0.504 0.000 0.746 272 K HN 0.150 nan 8.250 nan 0.000 0.457 273 L N 1.351 122.584 121.223 0.016 0.000 2.141 273 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 273 L C 2.292 178.895 176.870 -0.446 0.000 1.094 273 L CA 0.684 55.464 54.840 -0.100 0.000 0.763 273 L CB -0.375 41.700 42.059 0.028 0.000 0.908 273 L HN 0.255 nan 8.230 nan 0.000 0.437 274 N N 0.499 119.022 118.700 -0.294 0.000 2.142 274 N HA -0.168 4.571 4.740 -0.002 0.000 0.186 274 N C 1.858 177.284 175.510 -0.141 0.000 1.023 274 N CA 1.076 53.947 53.050 -0.299 0.000 0.852 274 N CB 0.002 38.588 38.487 0.164 0.000 0.998 274 N HN 0.159 nan 8.380 nan 0.000 0.424 275 L N 1.425 122.661 121.223 0.021 0.000 2.083 275 L HA -0.015 4.324 4.340 -0.002 0.000 0.209 275 L C 2.099 179.002 176.870 0.056 0.000 1.083 275 L CA 1.209 56.104 54.840 0.093 0.000 0.752 275 L CB -0.706 41.497 42.059 0.242 0.000 0.899 275 L HN 0.160 nan 8.230 nan 0.000 0.433 276 L N -2.057 119.199 121.223 0.055 0.000 2.141 276 L HA -0.175 4.164 4.340 -0.002 0.000 0.209 276 L C 2.303 179.104 176.870 -0.115 0.000 1.094 276 L CA 0.664 55.530 54.840 0.043 0.000 0.763 276 L CB -0.547 41.547 42.059 0.059 0.000 0.908 276 L HN 0.102 nan 8.230 nan 0.000 0.437 277 V N -1.215 118.537 119.914 -0.270 0.000 2.346 277 V HA -0.204 3.915 4.120 -0.002 0.000 0.244 277 V C 2.472 178.465 176.094 -0.168 0.000 1.037 277 V CA 2.133 64.240 62.300 -0.321 0.000 1.029 277 V CB -0.514 30.916 31.823 -0.655 0.000 0.663 277 V HN 0.396 nan 8.190 nan 0.000 0.454 278 T N -0.267 114.222 114.554 -0.108 0.000 2.821 278 T HA -0.148 4.201 4.350 -0.002 0.000 0.267 278 T C 1.345 175.990 174.700 -0.091 0.000 1.046 278 T CA 1.553 63.625 62.100 -0.046 0.000 1.139 278 T CB -0.300 68.575 68.868 0.012 0.000 0.871 278 T HN 0.402 nan 8.240 nan 0.000 0.454 279 D N 0.723 121.037 120.400 -0.142 0.000 2.328 279 D HA 0.083 4.722 4.640 -0.002 0.000 0.226 279 D C 0.520 176.507 176.300 -0.521 0.000 1.066 279 D CA 0.170 54.001 54.000 -0.281 0.000 0.861 279 D CB 0.056 40.720 40.800 -0.226 0.000 0.912 279 D HN 0.079 nan 8.370 nan 0.000 0.521 280 K N -0.324 119.880 120.400 -0.326 0.000 3.096 280 K HA -0.223 4.096 4.320 -0.002 0.000 0.266 280 K C -0.036 176.385 176.600 -0.297 0.000 1.043 280 K CA 0.416 56.545 56.287 -0.264 0.000 0.758 280 K CB -2.570 29.814 32.500 -0.194 0.000 1.260 280 K HN 0.552 nan 8.250 nan 0.000 0.481 281 H N -1.680 117.347 119.070 -0.071 0.000 2.553 281 H HA 0.133 4.688 4.556 -0.002 0.000 0.265 281 H C 0.857 176.139 175.328 -0.077 0.000 0.964 281 H CA 0.474 56.476 56.048 -0.077 0.000 1.156 281 H CB 0.670 30.375 29.762 -0.095 0.000 1.411 281 H HN 0.223 nan 8.280 nan 0.000 0.558 282 V N -2.688 117.227 119.914 0.000 0.000 3.078 282 V HA 0.208 4.327 4.120 -0.002 0.000 0.311 282 V C 0.636 176.707 176.094 -0.037 0.000 1.138 282 V CA -1.045 61.243 62.300 -0.020 0.000 1.007 282 V CB 2.540 34.331 31.823 -0.054 0.000 1.045 282 V HN 0.053 nan 8.190 nan 0.000 0.432 283 E N 1.578 121.773 120.200 -0.008 0.000 2.051 283 E HA 0.235 4.584 4.350 -0.002 0.000 0.192 283 E C 0.901 177.480 176.600 -0.034 0.000 0.991 283 E CA 1.703 58.104 56.400 0.001 0.000 0.799 283 E CB 0.073 29.803 29.700 0.049 0.000 0.748 283 E HN 1.036 nan 8.360 nan 0.000 0.449 284 G N -1.905 106.855 108.800 -0.066 0.000 2.488 284 G HA2 0.134 4.093 3.960 -0.002 0.000 0.301 284 G HA3 0.134 4.093 3.960 -0.002 0.000 0.301 284 G C -1.026 173.788 174.900 -0.145 0.000 1.339 284 G CA -0.737 44.309 45.100 -0.091 0.000 0.803 284 G HN 0.105 nan 8.290 nan 0.000 0.482 285 W N 0.604 121.735 121.300 -0.281 0.000 2.325 285 W HA -0.029 4.630 4.660 -0.002 0.000 0.299 285 W C 2.172 178.531 176.519 -0.267 0.000 1.215 285 W CA 1.718 58.840 57.345 -0.372 0.000 1.244 285 W CB 0.164 29.047 29.460 -0.961 0.000 1.140 285 W HN 0.603 nan 8.180 nan 0.000 0.523 286 D N -0.560 119.817 120.400 -0.038 0.000 2.352 286 D HA -0.069 4.570 4.640 -0.002 0.000 0.236 286 D C 0.075 176.338 176.300 -0.062 0.000 1.148 286 D CA 0.183 54.163 54.000 -0.034 0.000 0.844 286 D CB -0.817 39.966 40.800 -0.029 0.000 0.933 286 D HN 0.083 nan 8.370 nan 0.000 0.507 287 D N 1.664 122.025 120.400 -0.064 0.000 2.455 287 D HA -0.015 4.624 4.640 -0.002 0.000 0.241 287 D C -1.510 174.711 176.300 -0.131 0.000 1.138 287 D CA -1.432 52.525 54.000 -0.071 0.000 0.877 287 D CB 1.924 42.693 40.800 -0.052 0.000 1.187 287 D HN -0.077 nan 8.370 nan 0.000 0.451 288 P HA -0.061 nan 4.420 nan 0.000 0.226 288 P C 0.793 177.840 177.300 -0.421 0.000 1.146 288 P CA 0.974 63.821 63.100 -0.423 0.000 0.773 288 P CB 0.223 31.431 31.700 -0.821 0.000 0.772 289 R N -2.314 118.024 120.500 -0.270 0.000 2.280 289 R HA 0.190 4.529 4.340 -0.002 0.000 0.195 289 R C 0.785 177.043 176.300 -0.069 0.000 0.935 289 R CA 0.133 56.151 56.100 -0.135 0.000 1.033 289 R CB -0.066 30.214 30.300 -0.033 0.000 0.964 289 R HN 0.210 nan 8.270 nan 0.000 0.489 290 M N 1.909 121.470 119.600 -0.066 0.000 2.250 290 M HA 0.137 4.616 4.480 -0.002 0.000 0.344 290 M C -1.637 174.658 176.300 -0.008 0.000 1.150 290 M CA -2.028 53.266 55.300 -0.011 0.000 1.147 290 M CB 0.684 33.282 32.600 -0.003 0.000 1.498 290 M HN -0.182 nan 8.290 nan 0.000 0.461 291 P HA 0.024 nan 4.420 nan 0.000 0.255 291 P C 0.093 177.439 177.300 0.077 0.000 1.301 291 P CA 0.239 63.344 63.100 0.008 0.000 0.817 291 P CB -0.520 31.187 31.700 0.011 0.000 1.259 292 T N -2.350 112.280 114.554 0.127 0.000 2.860 292 T HA 0.166 4.515 4.350 -0.002 0.000 0.299 292 T C 1.634 176.407 174.700 0.122 0.000 1.045 292 T CA -0.693 61.533 62.100 0.211 0.000 1.071 292 T CB 0.697 69.725 68.868 0.267 0.000 0.985 292 T HN -0.246 nan 8.240 nan 0.000 0.537 293 I N 1.671 122.338 120.570 0.162 0.000 2.179 293 I HA -0.178 3.991 4.170 -0.002 0.000 0.242 293 I C 2.945 179.020 176.117 -0.069 0.000 1.088 293 I CA 1.929 63.290 61.300 0.102 0.000 1.357 293 I CB -1.974 36.133 38.000 0.179 0.000 1.051 293 I HN 0.914 nan 8.210 nan 0.000 0.409 294 S N 1.195 116.883 115.700 -0.019 0.000 2.382 294 S HA -0.099 4.370 4.470 -0.002 0.000 0.228 294 S C 2.207 176.730 174.600 -0.129 0.000 1.027 294 S CA 1.146 59.279 58.200 -0.112 0.000 0.991 294 S CB -1.337 61.908 63.200 0.076 0.000 0.823 294 S HN 0.457 nan 8.310 nan 0.000 0.469 295 G N 1.762 110.531 108.800 -0.052 0.000 2.408 295 G HA2 0.010 3.969 3.960 -0.002 0.000 0.217 295 G HA3 0.010 3.969 3.960 -0.002 0.000 0.217 295 G C 1.453 176.286 174.900 -0.111 0.000 1.150 295 G CA 0.757 45.809 45.100 -0.080 0.000 0.776 295 G HN 0.497 nan 8.290 nan 0.000 0.542 296 L N -0.244 120.914 121.223 -0.108 0.000 2.093 296 L HA 0.021 4.360 4.340 -0.002 0.000 0.208 296 L C 2.898 179.768 176.870 0.001 0.000 1.085 296 L CA 1.069 55.853 54.840 -0.093 0.000 0.755 296 L CB -0.295 41.643 42.059 -0.202 0.000 0.904 296 L HN 0.197 nan 8.230 nan 0.000 0.435 297 R N 0.482 120.862 120.500 -0.200 0.000 2.073 297 R HA -0.199 4.140 4.340 -0.002 0.000 0.234 297 R C 2.480 178.689 176.300 -0.152 0.000 1.134 297 R CA 1.566 57.463 56.100 -0.338 0.000 0.952 297 R CB -0.184 29.491 30.300 -1.042 0.000 0.850 297 R HN 0.165 nan 8.270 nan 0.000 0.433 298 R N 0.050 120.449 120.500 -0.168 0.000 2.152 298 R HA -0.145 4.194 4.340 -0.002 0.000 0.232 298 R C 2.207 178.459 176.300 -0.079 0.000 1.117 298 R CA 1.498 57.527 56.100 -0.117 0.000 0.981 298 R CB -0.114 30.110 30.300 -0.127 0.000 0.870 298 R HN 0.035 nan 8.270 nan 0.000 0.451 299 R N -0.560 119.898 120.500 -0.069 0.000 2.189 299 R HA -0.029 4.310 4.340 -0.002 0.000 0.223 299 R C 1.032 177.337 176.300 0.008 0.000 1.092 299 R CA 1.731 57.795 56.100 -0.060 0.000 0.989 299 R CB -0.058 30.240 30.300 -0.003 0.000 0.876 299 R HN 0.444 nan 8.270 nan 0.000 0.457 300 G N -2.974 105.857 108.800 0.052 0.000 2.229 300 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.189 300 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.189 300 G C -0.440 174.467 174.900 0.012 0.000 1.000 300 G CA -0.129 44.982 45.100 0.018 0.000 0.663 300 G HN 0.212 nan 8.290 nan 0.000 0.493 301 Y N 2.605 122.926 120.300 0.035 0.000 2.480 301 Y HA 0.426 4.975 4.550 -0.002 0.000 0.338 301 Y C 1.608 177.629 175.900 0.203 0.000 1.220 301 Y CA 1.027 59.173 58.100 0.076 0.000 1.430 301 Y CB 0.796 39.308 38.460 0.086 0.000 1.311 301 Y HN 0.239 nan 8.280 nan 0.000 0.575 302 T N -1.140 113.549 114.554 0.226 0.000 2.907 302 T HA 0.553 4.902 4.350 -0.002 0.000 0.284 302 T C 1.046 175.741 174.700 -0.009 0.000 1.004 302 T CA -0.446 61.723 62.100 0.116 0.000 1.063 302 T CB 1.678 70.531 68.868 -0.025 0.000 0.992 302 T HN 0.747 nan 8.240 nan 0.000 0.483 303 A N 1.859 124.398 122.820 -0.468 0.000 1.933 303 A HA 0.178 4.497 4.320 -0.002 0.000 0.218 303 A C 2.562 179.957 177.584 -0.316 0.000 1.175 303 A CA 1.622 53.215 52.037 -0.739 0.000 0.628 303 A CB -1.413 16.830 19.000 -1.261 0.000 0.814 303 A HN 1.238 nan 8.150 nan 0.000 0.444 304 A N 0.270 122.939 122.820 -0.252 0.000 1.972 304 A HA -0.081 4.238 4.320 -0.002 0.000 0.219 304 A C 2.485 180.038 177.584 -0.051 0.000 1.169 304 A CA 2.220 54.166 52.037 -0.152 0.000 0.635 304 A CB -0.838 18.078 19.000 -0.141 0.000 0.810 304 A HN 0.996 nan 8.150 nan 0.000 0.446 305 S N -0.101 115.595 115.700 -0.007 0.000 2.387 305 S HA -0.066 4.402 4.470 -0.002 0.000 0.226 305 S C 1.869 176.557 174.600 0.147 0.000 1.026 305 S CA 1.250 59.495 58.200 0.075 0.000 0.972 305 S CB -0.648 62.618 63.200 0.110 0.000 0.814 305 S HN 0.476 nan 8.310 nan 0.000 0.477 306 I N 1.489 122.140 120.570 0.135 0.000 2.252 306 I HA -0.089 4.080 4.170 -0.002 0.000 0.245 306 I C 3.064 179.294 176.117 0.189 0.000 1.102 306 I CA 1.066 62.469 61.300 0.172 0.000 1.385 306 I CB -0.293 37.799 38.000 0.153 0.000 1.064 306 I HN 0.240 nan 8.210 nan 0.000 0.414 307 R N 0.392 120.948 120.500 0.094 0.000 2.120 307 R HA -0.209 4.130 4.340 -0.002 0.000 0.234 307 R C 2.197 178.552 176.300 0.092 0.000 1.123 307 R CA 1.381 57.538 56.100 0.093 0.000 0.975 307 R CB -0.260 30.049 30.300 0.016 0.000 0.866 307 R HN 0.279 nan 8.270 nan 0.000 0.446 308 E N 0.800 121.056 120.200 0.092 0.000 2.047 308 E HA -0.194 4.155 4.350 -0.002 0.000 0.191 308 E C 1.567 178.247 176.600 0.133 0.000 0.987 308 E CA 1.186 57.639 56.400 0.088 0.000 0.799 308 E CB -0.360 29.389 29.700 0.081 0.000 0.752 308 E HN 0.223 nan 8.360 nan 0.000 0.449 309 F N 0.609 120.581 119.950 0.037 0.000 2.069 309 F HA -0.252 4.274 4.527 -0.002 0.000 0.298 309 F C 2.218 178.038 175.800 0.033 0.000 1.113 309 F CA 1.837 59.862 58.000 0.042 0.000 1.214 309 F CB -0.801 38.230 39.000 0.052 0.000 0.978 309 F HN 0.166 nan 8.300 nan 0.000 0.474 310 C N 0.604 119.904 119.300 0.000 0.000 2.422 310 C HA -0.159 4.300 4.460 -0.002 0.000 0.279 310 C C 2.758 177.670 174.990 -0.130 0.000 1.305 310 C CA 1.394 60.339 59.018 -0.122 0.000 1.757 310 C CB -1.293 26.465 27.740 0.029 0.000 1.962 310 C HN 0.531 nan 8.230 nan 0.000 0.499 311 K N 0.473 120.839 120.400 -0.058 0.000 2.103 311 K HA -0.069 4.250 4.320 -0.002 0.000 0.204 311 K C 2.317 178.872 176.600 -0.075 0.000 1.052 311 K CA 1.060 57.318 56.287 -0.049 0.000 0.945 311 K CB -0.088 32.407 32.500 -0.009 0.000 0.722 311 K HN 0.450 nan 8.250 nan 0.000 0.443 312 R N 0.620 121.064 120.500 -0.094 0.000 2.090 312 R HA -0.036 4.303 4.340 -0.002 0.000 0.228 312 R C 2.412 178.625 176.300 -0.146 0.000 1.110 312 R CA 1.558 57.603 56.100 -0.092 0.000 0.973 312 R CB -0.379 29.892 30.300 -0.048 0.000 0.869 312 R HN 0.402 nan 8.270 nan 0.000 0.440 313 I N -1.843 118.557 120.570 -0.282 0.000 2.676 313 I HA 0.154 4.322 4.170 -0.002 0.000 0.259 313 I C 0.968 177.001 176.117 -0.139 0.000 1.194 313 I CA 0.739 61.880 61.300 -0.264 0.000 1.473 313 I CB -0.647 37.079 38.000 -0.457 0.000 1.096 313 I HN 0.166 nan 8.210 nan 0.000 0.443 314 G N 0.980 109.708 108.800 -0.121 0.000 2.828 314 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.463 314 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.463 314 G C -0.672 174.204 174.900 -0.041 0.000 1.394 314 G CA -0.327 44.735 45.100 -0.064 0.000 0.862 314 G HN 0.338 nan 8.290 nan 0.000 0.540 315 V N 1.897 121.809 119.914 -0.004 0.000 2.409 315 V HA 0.810 4.929 4.120 -0.002 0.000 0.290 315 V C 0.698 176.946 176.094 0.256 0.000 1.017 315 V CA 0.527 62.855 62.300 0.046 0.000 0.841 315 V CB 1.004 32.741 31.823 -0.144 0.000 1.003 315 V HN 1.724 nan 8.190 nan 0.000 0.426 316 T N 1.337 116.084 114.554 0.321 0.000 2.654 316 T HA 0.524 4.873 4.350 -0.002 0.000 0.289 316 T C 0.059 174.908 174.700 0.248 0.000 1.062 316 T CA -0.742 61.536 62.100 0.296 0.000 1.041 316 T CB 2.278 71.216 68.868 0.115 0.000 1.417 316 T HN 0.319 nan 8.240 nan 0.000 0.510 317 K N 0.320 120.720 120.400 0.000 0.000 2.440 317 K HA 0.254 4.573 4.320 -0.002 0.000 0.206 317 K C 0.033 176.622 176.600 -0.018 0.000 1.025 317 K CA -0.120 56.149 56.287 -0.030 0.000 1.135 317 K CB 0.452 32.832 32.500 -0.199 0.000 0.856 317 K HN 0.474 nan 8.250 nan 0.000 0.502 318 Q N 0.942 120.746 119.800 0.008 0.000 2.282 318 Q HA 0.200 4.539 4.340 -0.002 0.000 0.260 318 Q C -0.949 175.056 176.000 0.009 0.000 0.964 318 Q CA -0.852 54.949 55.803 -0.003 0.000 0.880 318 Q CB 1.672 30.405 28.738 -0.008 0.000 1.286 318 Q HN 0.048 nan 8.270 nan 0.000 0.445 319 D N 2.482 122.878 120.400 -0.007 0.000 2.424 319 D HA 0.090 4.729 4.640 -0.002 0.000 0.244 319 D C -0.378 175.919 176.300 -0.006 0.000 1.134 319 D CA 0.627 54.621 54.000 -0.011 0.000 0.881 319 D CB 0.578 41.363 40.800 -0.026 0.000 1.191 319 D HN 0.600 nan 8.370 nan 0.000 0.445 320 N N -1.452 117.246 118.700 -0.003 0.000 2.708 320 N HA 0.472 5.211 4.740 -0.002 0.000 0.257 320 N C -1.641 173.868 175.510 -0.003 0.000 1.373 320 N CA -0.823 52.227 53.050 0.000 0.000 0.843 320 N CB 1.659 40.153 38.487 0.012 0.000 1.503 320 N HN -0.000 nan 8.380 nan 0.000 0.504 321 T N 1.103 115.657 114.554 0.001 0.000 3.066 321 T HA 0.372 4.720 4.350 -0.002 0.000 0.318 321 T C -0.681 174.039 174.700 0.033 0.000 0.979 321 T CA -0.337 61.764 62.100 0.002 0.000 1.025 321 T CB 0.121 68.972 68.868 -0.027 0.000 1.002 321 T HN 0.425 nan 8.240 nan 0.000 0.453 322 I N 2.839 123.453 120.570 0.073 0.000 2.779 322 I HA 0.191 4.360 4.170 -0.002 0.000 0.285 322 I C 1.009 177.204 176.117 0.129 0.000 1.134 322 I CA -0.474 60.899 61.300 0.121 0.000 1.398 322 I CB 0.389 38.525 38.000 0.226 0.000 1.404 322 I HN 0.560 nan 8.210 nan 0.000 0.587 323 E N 4.546 124.829 120.200 0.138 0.000 2.313 323 E HA 0.153 4.502 4.350 -0.002 0.000 0.272 323 E C 0.637 177.334 176.600 0.161 0.000 1.038 323 E CA -0.681 55.804 56.400 0.141 0.000 0.863 323 E CB 0.821 30.595 29.700 0.124 0.000 1.060 323 E HN 0.414 nan 8.360 nan 0.000 0.402 324 M N 1.189 120.889 119.600 0.166 0.000 2.267 324 M HA -0.165 4.314 4.480 -0.002 0.000 0.263 324 M C 1.976 178.339 176.300 0.104 0.000 1.063 324 M CA 1.309 56.683 55.300 0.124 0.000 1.090 324 M CB -1.205 31.475 32.600 0.134 0.000 1.392 324 M HN 0.726 nan 8.290 nan 0.000 0.422 325 A N -0.801 122.087 122.820 0.114 0.000 1.908 325 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 325 A C 2.483 180.137 177.584 0.117 0.000 1.181 325 A CA 2.283 54.380 52.037 0.100 0.000 0.627 325 A CB -0.935 18.121 19.000 0.093 0.000 0.818 325 A HN 0.491 nan 8.150 nan 0.000 0.445 326 S N -0.781 115.013 115.700 0.156 0.000 2.356 326 S HA -0.113 4.356 4.470 -0.002 0.000 0.223 326 S C 1.940 176.694 174.600 0.256 0.000 1.032 326 S CA 1.404 59.736 58.200 0.220 0.000 1.005 326 S CB -0.420 62.954 63.200 0.291 0.000 0.867 326 S HN 0.525 nan 8.310 nan 0.000 0.449 327 L N 0.895 122.201 121.223 0.139 0.000 2.056 327 L HA -0.100 4.239 4.340 -0.002 0.000 0.207 327 L C 2.424 179.343 176.870 0.082 0.000 1.078 327 L CA 1.851 56.611 54.840 -0.133 0.000 0.749 327 L CB -0.529 41.262 42.059 -0.447 0.000 0.901 327 L HN 0.458 nan 8.230 nan 0.000 0.433 328 E N -0.855 119.405 120.200 0.100 0.000 2.077 328 E HA -0.241 4.108 4.350 -0.002 0.000 0.193 328 E C 2.192 178.823 176.600 0.052 0.000 0.989 328 E CA 1.371 57.824 56.400 0.089 0.000 0.800 328 E CB -0.144 29.599 29.700 0.071 0.000 0.746 328 E HN 0.384 nan 8.360 nan 0.000 0.452 329 S N 0.270 116.016 115.700 0.077 0.000 2.374 329 S HA -0.217 4.252 4.470 -0.002 0.000 0.227 329 S C 2.146 176.779 174.600 0.054 0.000 1.037 329 S CA 1.358 59.597 58.200 0.067 0.000 1.024 329 S CB -0.410 62.843 63.200 0.088 0.000 0.861 329 S HN 0.416 nan 8.310 nan 0.000 0.456 330 C N 0.575 119.933 119.300 0.097 0.000 2.429 330 C HA 0.019 4.478 4.460 -0.002 0.000 0.277 330 C C 2.426 177.424 174.990 0.014 0.000 1.262 330 C CA 0.754 59.829 59.018 0.095 0.000 1.733 330 C CB -1.383 26.472 27.740 0.192 0.000 2.010 330 C HN 0.727 nan 8.230 nan 0.000 0.483 331 I N 0.874 121.423 120.570 -0.035 0.000 2.546 331 I HA -0.067 4.102 4.170 -0.002 0.000 0.255 331 I C 2.537 178.462 176.117 -0.320 0.000 1.163 331 I CA 1.394 62.555 61.300 -0.232 0.000 1.457 331 I CB -0.558 37.083 38.000 -0.598 0.000 1.092 331 I HN 0.202 nan 8.210 nan 0.000 0.434 332 R N 0.088 120.454 120.500 -0.224 0.000 2.066 332 R HA -0.168 4.171 4.340 -0.002 0.000 0.232 332 R C 2.194 178.384 176.300 -0.184 0.000 1.131 332 R CA 1.529 57.486 56.100 -0.238 0.000 0.955 332 R CB -0.561 29.721 30.300 -0.029 0.000 0.851 332 R HN 0.488 nan 8.270 nan 0.000 0.432 333 E N 0.753 120.901 120.200 -0.087 0.000 2.160 333 E HA -0.232 4.117 4.350 -0.002 0.000 0.195 333 E C 1.585 178.140 176.600 -0.075 0.000 0.991 333 E CA 1.423 57.796 56.400 -0.046 0.000 0.810 333 E CB 0.049 29.742 29.700 -0.011 0.000 0.742 333 E HN 0.197 nan 8.360 nan 0.000 0.466 334 D N -0.116 120.208 120.400 -0.127 0.000 2.107 334 D HA -0.125 4.514 4.640 -0.002 0.000 0.204 334 D C 2.010 178.207 176.300 -0.171 0.000 0.978 334 D CA 0.672 54.596 54.000 -0.128 0.000 0.852 334 D CB -0.050 40.671 40.800 -0.131 0.000 1.008 334 D HN 0.150 nan 8.370 nan 0.000 0.458 335 L N 1.500 122.519 121.223 -0.340 0.000 2.079 335 L HA -0.136 4.203 4.340 -0.002 0.000 0.210 335 L C 2.150 178.886 176.870 -0.224 0.000 1.081 335 L CA 1.216 55.801 54.840 -0.425 0.000 0.752 335 L CB -1.817 39.667 42.059 -0.958 0.000 0.896 335 L HN 0.198 nan 8.230 nan 0.000 0.433 336 N N -0.593 117.987 118.700 -0.200 0.000 2.205 336 N HA -0.214 4.525 4.740 -0.002 0.000 0.186 336 N C 1.834 177.466 175.510 0.204 0.000 1.015 336 N CA 1.225 54.359 53.050 0.140 0.000 0.862 336 N CB 0.091 38.657 38.487 0.131 0.000 0.986 336 N HN 0.254 nan 8.380 nan 0.000 0.429 337 E N -0.469 119.807 120.200 0.126 0.000 2.166 337 E HA 0.077 4.426 4.350 -0.002 0.000 0.192 337 E C 0.730 177.427 176.600 0.161 0.000 0.967 337 E CA 0.523 57.017 56.400 0.157 0.000 0.840 337 E CB 0.040 29.765 29.700 0.042 0.000 0.795 337 E HN 0.492 nan 8.360 nan 0.000 0.470 338 N N 0.034 118.787 118.700 0.089 0.000 2.348 338 N HA 0.074 4.813 4.740 -0.002 0.000 0.183 338 N C 0.244 175.801 175.510 0.080 0.000 1.094 338 N CA 0.177 53.264 53.050 0.063 0.000 0.885 338 N CB 0.596 39.076 38.487 -0.011 0.000 1.065 338 N HN -0.073 nan 8.380 nan 0.000 0.472 339 A N 3.709 126.581 122.820 0.086 0.000 2.409 339 A HA 0.323 4.642 4.320 -0.002 0.000 0.267 339 A C -2.138 175.514 177.584 0.114 0.000 1.127 339 A CA -1.023 51.059 52.037 0.076 0.000 0.795 339 A CB 0.056 19.152 19.000 0.159 0.000 1.061 339 A HN -0.010 nan 8.150 nan 0.000 0.502 340 P HA 0.283 nan 4.420 nan 0.000 0.272 340 P C -0.551 176.870 177.300 0.201 0.000 1.223 340 P CA -0.208 62.973 63.100 0.135 0.000 0.784 340 P CB 0.830 32.604 31.700 0.124 0.000 0.923 341 R N 0.976 121.556 120.500 0.134 0.000 2.549 341 R HA 0.803 5.142 4.340 -0.002 0.000 0.267 341 R C 0.017 176.392 176.300 0.124 0.000 1.045 341 R CA -0.340 55.824 56.100 0.107 0.000 1.115 341 R CB 0.797 31.090 30.300 -0.012 0.000 1.121 341 R HN 0.660 nan 8.270 nan 0.000 0.543 342 A N 1.076 123.929 122.820 0.055 0.000 2.586 342 A HA 0.622 4.941 4.320 -0.002 0.000 0.290 342 A C -1.562 175.853 177.584 -0.282 0.000 1.086 342 A CA -0.846 51.132 52.037 -0.098 0.000 0.665 342 A CB 1.346 20.275 19.000 -0.118 0.000 1.279 342 A HN 0.428 nan 8.150 nan 0.000 0.423 343 M N 0.561 119.899 119.600 -0.436 0.000 2.300 343 M HA 0.733 5.212 4.480 -0.002 0.000 0.348 343 M C -0.074 175.781 176.300 -0.742 0.000 1.151 343 M CA -0.348 54.634 55.300 -0.531 0.000 1.046 343 M CB 0.805 33.075 32.600 -0.550 0.000 1.647 343 M HN 1.357 nan 8.290 nan 0.000 0.451 344 A N 2.703 125.055 122.820 -0.780 0.000 2.540 344 A HA 0.708 5.027 4.320 -0.002 0.000 0.297 344 A C -1.377 175.947 177.584 -0.433 0.000 1.056 344 A CA -0.645 50.868 52.037 -0.873 0.000 0.700 344 A CB 1.533 19.406 19.000 -1.878 0.000 1.280 344 A HN 0.530 nan 8.150 nan 0.000 0.398 345 V N 4.372 124.144 119.914 -0.237 0.000 2.334 345 V HA 0.255 4.374 4.120 -0.002 0.000 0.281 345 V C 0.927 176.943 176.094 -0.130 0.000 1.016 345 V CA -0.126 62.154 62.300 -0.033 0.000 0.832 345 V CB 0.952 32.812 31.823 0.062 0.000 0.999 345 V HN 0.896 nan 8.190 nan 0.000 0.439 346 I N 1.780 122.302 120.570 -0.080 0.000 2.333 346 I HA 0.022 4.191 4.170 -0.002 0.000 0.246 346 I C 0.937 176.999 176.117 -0.091 0.000 1.106 346 I CA 1.204 62.447 61.300 -0.095 0.000 1.411 346 I CB 0.257 38.249 38.000 -0.013 0.000 1.082 346 I HN 0.567 nan 8.210 nan 0.000 0.420 347 D N 2.291 122.673 120.400 -0.030 0.000 2.460 347 D HA 0.221 4.860 4.640 -0.002 0.000 0.268 347 D C -2.434 173.868 176.300 0.004 0.000 1.153 347 D CA -1.773 52.211 54.000 -0.026 0.000 0.929 347 D CB 1.290 42.099 40.800 0.015 0.000 1.015 347 D HN 0.007 nan 8.370 nan 0.000 0.502 348 P HA 0.071 nan 4.420 nan 0.000 0.271 348 P C -0.474 176.933 177.300 0.178 0.000 1.216 348 P CA -0.357 62.769 63.100 0.043 0.000 0.771 348 P CB 2.115 33.690 31.700 -0.208 0.000 0.864 349 V N 3.501 123.630 119.914 0.357 0.000 2.668 349 V HA 0.296 4.415 4.120 -0.002 0.000 0.304 349 V C -0.127 176.155 176.094 0.313 0.000 1.071 349 V CA -1.147 61.341 62.300 0.313 0.000 0.894 349 V CB 1.918 33.826 31.823 0.141 0.000 1.008 349 V HN 0.517 nan 8.190 nan 0.000 0.425 350 K N 5.470 125.969 120.400 0.166 0.000 2.448 350 K HA 0.406 4.724 4.320 -0.002 0.000 0.278 350 K C -0.895 175.491 176.600 -0.357 0.000 1.009 350 K CA 0.113 56.203 56.287 -0.328 0.000 0.995 350 K CB 0.654 32.874 32.500 -0.466 0.000 0.917 350 K HN 0.702 nan 8.250 nan 0.000 0.481 351 L N 6.177 127.132 121.223 -0.447 0.000 2.457 351 L HA 0.372 4.711 4.340 -0.002 0.000 0.266 351 L C -1.170 175.411 176.870 -0.481 0.000 0.979 351 L CA -0.961 53.619 54.840 -0.433 0.000 0.857 351 L CB 1.395 43.268 42.059 -0.310 0.000 1.213 351 L HN 0.545 nan 8.230 nan 0.000 0.418 352 V N 2.472 122.053 119.914 -0.555 0.000 2.567 352 V HA 0.508 4.627 4.120 -0.002 0.000 0.289 352 V C 0.211 176.136 176.094 -0.281 0.000 1.049 352 V CA -0.441 61.591 62.300 -0.447 0.000 0.969 352 V CB 1.553 33.088 31.823 -0.480 0.000 0.995 352 V HN 0.652 nan 8.190 nan 0.000 0.471 353 I N 3.436 123.879 120.570 -0.211 0.000 2.377 353 I HA 0.295 4.464 4.170 -0.002 0.000 0.282 353 I C 1.192 177.320 176.117 0.018 0.000 1.091 353 I CA -0.171 61.076 61.300 -0.087 0.000 1.207 353 I CB 0.716 38.626 38.000 -0.151 0.000 1.429 353 I HN 0.804 nan 8.210 nan 0.000 0.491 354 E N 2.674 122.916 120.200 0.070 0.000 2.219 354 E HA -0.246 4.103 4.350 -0.002 0.000 0.198 354 E C 1.723 178.382 176.600 0.098 0.000 0.998 354 E CA 0.835 57.293 56.400 0.096 0.000 0.818 354 E CB -0.004 29.774 29.700 0.129 0.000 0.741 354 E HN 0.595 nan 8.360 nan 0.000 0.477 355 N N 0.304 119.090 118.700 0.143 0.000 2.354 355 N HA -0.127 4.612 4.740 -0.002 0.000 0.179 355 N C -0.038 175.634 175.510 0.270 0.000 1.021 355 N CA 0.309 53.477 53.050 0.196 0.000 0.887 355 N CB 0.051 38.695 38.487 0.263 0.000 0.974 355 N HN 0.089 nan 8.380 nan 0.000 0.437 356 Y N 2.684 123.015 120.300 0.051 0.000 2.425 356 Y HA 0.050 4.599 4.550 -0.002 0.000 0.331 356 Y C 0.074 175.955 175.900 -0.033 0.000 1.157 356 Y CA -0.205 57.836 58.100 -0.099 0.000 1.372 356 Y CB 0.468 38.717 38.460 -0.352 0.000 1.253 356 Y HN 0.134 nan 8.280 nan 0.000 0.536 357 Q N 4.625 124.062 119.800 -0.604 0.000 2.330 357 Q HA 0.703 5.042 4.340 -0.002 0.000 0.269 357 Q C -0.286 175.462 176.000 -0.421 0.000 1.022 357 Q CA -0.408 55.179 55.803 -0.360 0.000 0.796 357 Q CB 1.438 30.043 28.738 -0.222 0.000 1.271 357 Q HN 1.001 nan 8.270 nan 0.000 0.450 358 G N 2.290 110.997 108.800 -0.155 0.000 2.384 358 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.668 358 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.668 358 G C -0.322 174.623 174.900 0.075 0.000 1.280 358 G CA -0.308 44.760 45.100 -0.053 0.000 0.992 358 G HN 0.386 nan 8.290 nan 0.000 0.512 359 E N 0.454 120.714 120.200 0.098 0.000 2.479 359 E HA 0.400 4.749 4.350 -0.002 0.000 0.193 359 E C 1.205 177.926 176.600 0.201 0.000 1.049 359 E CA 1.374 57.844 56.400 0.117 0.000 0.870 359 E CB 0.616 30.362 29.700 0.076 0.000 0.944 359 E HN 1.937 nan 8.360 nan 0.000 0.492 360 G N 1.451 110.431 108.800 0.299 0.000 2.347 360 G HA2 0.029 3.987 3.960 -0.002 0.000 0.477 360 G HA3 0.029 3.987 3.960 -0.002 0.000 0.477 360 G C -1.004 174.076 174.900 0.301 0.000 1.349 360 G CA -0.324 44.978 45.100 0.336 0.000 1.000 360 G HN 0.091 nan 8.290 nan 0.000 0.605 361 E N -1.933 118.441 120.200 0.290 0.000 2.433 361 E HA 0.814 5.163 4.350 -0.002 0.000 0.264 361 E C -1.185 175.510 176.600 0.157 0.000 0.960 361 E CA -1.211 55.324 56.400 0.224 0.000 0.866 361 E CB 1.761 31.629 29.700 0.281 0.000 1.615 361 E HN 0.648 nan 8.360 nan 0.000 0.442 362 M N 1.853 121.525 119.600 0.120 0.000 2.321 362 M HA 0.368 4.847 4.480 -0.002 0.000 0.315 362 M C -1.406 174.941 176.300 0.078 0.000 1.052 362 M CA -0.808 54.544 55.300 0.085 0.000 0.936 362 M CB 2.028 34.660 32.600 0.054 0.000 1.639 362 M HN 0.533 nan 8.290 nan 0.000 0.433 363 V N 0.692 120.660 119.914 0.090 0.000 2.769 363 V HA 0.787 4.906 4.120 -0.002 0.000 0.312 363 V C -0.342 175.779 176.094 0.046 0.000 1.061 363 V CA -0.504 61.824 62.300 0.046 0.000 0.931 363 V CB 1.707 33.561 31.823 0.051 0.000 1.010 363 V HN 0.781 nan 8.190 nan 0.000 0.433 364 T N 6.046 120.610 114.554 0.018 0.000 2.856 364 T HA 0.629 4.978 4.350 -0.002 0.000 0.292 364 T C -0.237 174.476 174.700 0.023 0.000 0.980 364 T CA -0.097 62.015 62.100 0.020 0.000 1.091 364 T CB 0.647 69.522 68.868 0.012 0.000 0.936 364 T HN 0.730 nan 8.240 nan 0.000 0.503 365 M N 4.105 123.719 119.600 0.023 0.000 2.327 365 M HA 0.344 4.822 4.480 -0.002 0.000 0.298 365 M C -2.636 173.681 176.300 0.028 0.000 1.065 365 M CA -2.265 53.047 55.300 0.021 0.000 0.916 365 M CB 2.600 35.200 32.600 -0.001 0.000 1.630 365 M HN 0.228 nan 8.290 nan 0.000 0.442 366 P HA 0.106 nan 4.420 nan 0.000 0.268 366 P C -0.115 177.227 177.300 0.068 0.000 1.205 366 P CA -0.074 63.059 63.100 0.056 0.000 0.771 366 P CB 0.563 32.302 31.700 0.065 0.000 0.858 367 N N 0.614 119.369 118.700 0.090 0.000 2.459 367 N HA -0.107 4.632 4.740 -0.002 0.000 0.181 367 N C -0.073 175.533 175.510 0.159 0.000 1.046 367 N CA 1.008 54.126 53.050 0.113 0.000 0.904 367 N CB -0.222 38.333 38.487 0.113 0.000 0.964 367 N HN 0.614 nan 8.380 nan 0.000 0.444 368 H N -1.319 117.780 119.070 0.049 0.000 3.278 368 H HA 0.168 4.724 4.556 0.000 0.000 0.326 368 H C -2.179 173.172 175.328 0.039 0.000 1.113 368 H CA -1.169 54.909 56.048 0.050 0.000 1.553 368 H CB 1.780 31.570 29.762 0.047 0.000 1.997 368 H HN -0.167 nan 8.280 nan 0.000 0.456 369 P HA -0.200 nan 4.420 nan 0.000 0.205 369 P C 0.674 178.109 177.300 0.225 0.000 1.164 369 P CA 1.596 64.804 63.100 0.180 0.000 0.938 369 P CB 0.203 31.967 31.700 0.105 0.000 0.777 370 N N -0.865 118.013 118.700 0.296 0.000 2.659 370 N HA -0.123 4.616 4.740 -0.002 0.000 0.194 370 N C -0.042 175.468 175.510 0.001 0.000 1.140 370 N CA 1.120 54.265 53.050 0.158 0.000 0.936 370 N CB -0.525 38.073 38.487 0.185 0.000 0.970 370 N HN 0.296 nan 8.380 nan 0.000 0.449 371 K N -0.266 120.110 120.400 -0.041 0.000 2.895 371 K HA 0.138 4.457 4.320 -0.002 0.000 0.191 371 K C -2.051 174.518 176.600 -0.051 0.000 1.117 371 K CA -1.228 54.952 56.287 -0.180 0.000 0.988 371 K CB 2.032 34.213 32.500 -0.532 0.000 1.181 371 K HN -0.063 nan 8.250 nan 0.000 0.598 372 P HA -0.281 nan 4.420 nan 0.000 0.217 372 P C 0.962 178.265 177.300 0.004 0.000 1.148 372 P CA 1.409 64.517 63.100 0.013 0.000 0.828 372 P CB 0.334 32.041 31.700 0.011 0.000 0.783 373 E N 0.105 120.295 120.200 -0.016 0.000 2.331 373 E HA -0.163 4.186 4.350 -0.002 0.000 0.199 373 E C 1.723 178.320 176.600 -0.006 0.000 1.008 373 E CA 0.932 57.323 56.400 -0.014 0.000 0.843 373 E CB -1.032 28.651 29.700 -0.028 0.000 0.761 373 E HN 0.345 nan 8.360 nan 0.000 0.507 374 M N 0.633 120.233 119.600 -0.000 0.000 2.618 374 M HA 0.122 4.601 4.480 -0.002 0.000 0.240 374 M C 0.784 177.109 176.300 0.043 0.000 1.123 374 M CA 0.811 56.126 55.300 0.024 0.000 1.060 374 M CB 0.142 32.771 32.600 0.049 0.000 1.535 374 M HN 0.291 nan 8.290 nan 0.000 0.507 375 G N 0.641 109.463 108.800 0.037 0.000 2.796 375 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.571 375 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.571 375 G C -0.490 174.440 174.900 0.051 0.000 1.370 375 G CA -0.358 44.766 45.100 0.040 0.000 0.856 375 G HN 0.533 nan 8.290 nan 0.000 0.538 376 S N -1.002 114.724 115.700 0.044 0.000 2.667 376 S HA 0.943 5.412 4.470 -0.002 0.000 0.292 376 S C -0.198 174.426 174.600 0.041 0.000 1.126 376 S CA 0.133 58.359 58.200 0.043 0.000 0.881 376 S CB 2.404 65.624 63.200 0.034 0.000 1.132 376 S HN 1.771 nan 8.310 nan 0.000 0.492 377 R N -0.269 120.253 120.500 0.036 0.000 2.836 377 R HA 0.665 5.004 4.340 -0.002 0.000 0.269 377 R C -1.597 174.717 176.300 0.023 0.000 1.010 377 R CA -0.966 55.153 56.100 0.032 0.000 0.930 377 R CB 0.888 31.209 30.300 0.035 0.000 1.218 377 R HN 0.484 nan 8.270 nan 0.000 0.473 378 Q N 1.106 120.919 119.800 0.021 0.000 2.303 378 Q HA 0.397 4.736 4.340 -0.002 0.000 0.257 378 Q C -1.320 174.685 176.000 0.008 0.000 0.941 378 Q CA -0.471 55.344 55.803 0.020 0.000 0.931 378 Q CB 1.944 30.696 28.738 0.024 0.000 1.215 378 Q HN 0.498 nan 8.270 nan 0.000 0.437 379 V N 6.718 126.640 119.914 0.013 0.000 2.487 379 V HA 0.525 4.644 4.120 -0.002 0.000 0.298 379 V C -2.257 173.861 176.094 0.039 0.000 1.028 379 V CA -1.976 60.319 62.300 -0.008 0.000 0.860 379 V CB 1.837 33.629 31.823 -0.052 0.000 0.991 379 V HN 0.759 nan 8.190 nan 0.000 0.427 380 P HA 0.204 nan 4.420 nan 0.000 0.271 380 P C -1.088 176.264 177.300 0.086 0.000 1.220 380 P CA 0.090 63.095 63.100 -0.159 0.000 0.768 380 P CB 0.720 32.000 31.700 -0.702 0.000 0.848 381 F N 3.033 122.973 119.950 -0.017 0.000 2.561 381 F HA 0.586 5.112 4.527 -0.001 0.000 0.321 381 F C -0.240 175.425 175.800 -0.225 0.000 1.065 381 F CA 0.050 58.033 58.000 -0.029 0.000 0.934 381 F CB 2.064 41.010 39.000 -0.089 0.000 1.215 381 F HN 0.540 nan 8.300 nan 0.000 0.471 382 S N 1.789 116.848 115.700 -1.067 0.000 2.800 382 S HA 0.523 4.992 4.470 -0.002 0.000 0.293 382 S C 0.137 173.935 174.600 -1.337 0.000 1.209 382 S CA -0.243 57.439 58.200 -0.864 0.000 0.884 382 S CB 0.942 63.973 63.200 -0.281 0.000 1.244 382 S HN 1.013 nan 8.310 nan 0.000 0.540 383 G N -0.638 107.704 108.800 -0.765 0.000 3.042 383 G HA2 0.350 4.309 3.960 -0.002 0.000 0.212 383 G HA3 0.350 4.309 3.960 -0.002 0.000 0.212 383 G C -0.149 174.475 174.900 -0.460 0.000 1.166 383 G CA -0.115 44.657 45.100 -0.546 0.000 0.767 383 G HN 0.618 nan 8.290 nan 0.000 0.546 384 E N 0.670 120.579 120.200 -0.485 0.000 2.267 384 E HA 0.421 4.770 4.350 -0.002 0.000 0.248 384 E C -0.487 175.764 176.600 -0.582 0.000 0.899 384 E CA -0.442 55.656 56.400 -0.503 0.000 0.764 384 E CB 1.678 31.116 29.700 -0.436 0.000 1.227 384 E HN 0.435 nan 8.360 nan 0.000 0.421 385 I N -1.826 118.385 120.570 -0.599 0.000 3.294 385 I HA 0.691 4.860 4.170 -0.002 0.000 0.311 385 I C -1.128 174.682 176.117 -0.511 0.000 1.111 385 I CA -1.221 59.787 61.300 -0.487 0.000 0.976 385 I CB 1.756 39.572 38.000 -0.307 0.000 1.260 385 I HN 0.308 nan 8.210 nan 0.000 0.474 386 W N 2.633 123.863 121.300 -0.117 0.000 2.702 386 W HA 0.754 5.413 4.660 -0.002 0.000 0.331 386 W C -0.429 176.079 176.519 -0.018 0.000 1.049 386 W CA -0.564 56.728 57.345 -0.087 0.000 1.230 386 W CB 1.807 31.228 29.460 -0.064 0.000 1.408 386 W HN 0.468 nan 8.180 nan 0.000 0.492 387 I N -1.441 119.263 120.570 0.225 0.000 3.145 387 I HA 0.609 4.778 4.170 -0.002 0.000 0.313 387 I C -0.963 175.208 176.117 0.090 0.000 1.122 387 I CA -1.242 60.113 61.300 0.092 0.000 0.987 387 I CB 1.960 39.982 38.000 0.037 0.000 1.236 387 I HN 0.168 nan 8.210 nan 0.000 0.453 388 D N 1.170 121.573 120.400 0.004 0.000 2.308 388 D HA 0.266 4.905 4.640 -0.002 0.000 0.251 388 D C 1.037 177.398 176.300 0.102 0.000 1.127 388 D CA -0.186 53.848 54.000 0.058 0.000 0.876 388 D CB 1.265 42.099 40.800 0.057 0.000 1.176 388 D HN 0.469 nan 8.370 nan 0.000 0.446 389 R N 2.730 123.299 120.500 0.116 0.000 2.154 389 R HA -0.215 4.124 4.340 -0.002 0.000 0.248 389 R C 1.657 178.057 176.300 0.167 0.000 1.155 389 R CA 1.399 57.587 56.100 0.146 0.000 0.979 389 R CB -0.218 30.151 30.300 0.114 0.000 0.869 389 R HN 0.498 nan 8.270 nan 0.000 0.452 390 A N 0.698 123.602 122.820 0.139 0.000 2.119 390 A HA -0.095 4.224 4.320 -0.002 0.000 0.217 390 A C 1.088 178.793 177.584 0.202 0.000 1.153 390 A CA 1.043 53.170 52.037 0.151 0.000 0.692 390 A CB 0.078 19.152 19.000 0.124 0.000 0.799 390 A HN 0.141 nan 8.150 nan 0.000 0.458 391 D N -1.799 118.712 120.400 0.185 0.000 2.339 391 D HA 0.160 4.799 4.640 -0.002 0.000 0.217 391 D C -0.607 175.892 176.300 0.331 0.000 1.050 391 D CA 0.291 54.401 54.000 0.183 0.000 0.856 391 D CB 0.168 41.004 40.800 0.061 0.000 0.922 391 D HN 0.399 nan 8.370 nan 0.000 0.518 392 F N 1.038 121.103 119.950 0.191 0.000 2.507 392 F HA 0.533 5.059 4.527 -0.002 0.000 0.325 392 F C -0.690 175.179 175.800 0.116 0.000 1.116 392 F CA -1.010 57.091 58.000 0.169 0.000 0.930 392 F CB 1.309 40.364 39.000 0.091 0.000 1.146 392 F HN -0.438 nan 8.300 nan 0.000 0.447 393 R N 3.861 123.796 120.500 -0.942 0.000 2.621 393 R HA 0.327 4.666 4.340 -0.002 0.000 0.284 393 R C 0.571 176.263 176.300 -1.014 0.000 0.998 393 R CA -0.410 55.158 56.100 -0.886 0.000 0.895 393 R CB 1.642 31.419 30.300 -0.872 0.000 1.195 393 R HN 0.806 nan 8.270 nan 0.000 0.450 394 E N 1.459 121.253 120.200 -0.676 0.000 2.107 394 E HA -0.173 4.176 4.350 -0.002 0.000 0.191 394 E C 0.178 176.637 176.600 -0.235 0.000 0.982 394 E CA 1.541 57.727 56.400 -0.356 0.000 0.809 394 E CB 0.420 30.043 29.700 -0.130 0.000 0.756 394 E HN 0.570 nan 8.360 nan 0.000 0.459 395 E N 0.545 120.595 120.200 -0.250 0.000 2.225 395 E HA 0.392 4.741 4.350 -0.002 0.000 0.202 395 E C 0.183 176.644 176.600 -0.232 0.000 0.987 395 E CA 0.276 56.566 56.400 -0.183 0.000 1.010 395 E CB -0.465 29.151 29.700 -0.140 0.000 1.464 395 E HN 0.153 nan 8.360 nan 0.000 0.508 396 A N 1.762 124.402 122.820 -0.300 0.000 2.433 396 A HA -0.120 4.199 4.320 -0.002 0.000 0.685 396 A C 0.463 177.958 177.584 -0.149 0.000 0.139 396 A CA 0.331 52.147 52.037 -0.369 0.000 0.035 396 A CB -1.649 16.905 19.000 -0.743 0.000 3.969 396 A HN 0.530 nan 8.150 nan 0.000 0.547 397 N N 2.352 121.003 118.700 -0.082 0.000 2.224 397 N HA 0.109 4.848 4.740 -0.002 0.000 0.265 397 N C 0.893 176.427 175.510 0.041 0.000 1.278 397 N CA 1.127 54.172 53.050 -0.009 0.000 0.924 397 N CB -0.092 38.400 38.487 0.008 0.000 1.006 397 N HN 0.673 nan 8.380 nan 0.000 0.452 398 K N -0.137 120.293 120.400 0.050 0.000 2.078 398 K HA 0.092 4.411 4.320 -0.002 0.000 0.203 398 K C 2.280 178.929 176.600 0.082 0.000 1.043 398 K CA 0.986 57.309 56.287 0.059 0.000 0.960 398 K CB -0.418 32.105 32.500 0.039 0.000 0.761 398 K HN 0.426 nan 8.250 nan 0.000 0.448 399 Q N -0.089 119.759 119.800 0.079 0.000 2.197 399 Q HA -0.159 4.180 4.340 -0.002 0.000 0.207 399 Q C 0.047 176.108 176.000 0.100 0.000 0.984 399 Q CA 0.773 56.621 55.803 0.076 0.000 0.869 399 Q CB -0.316 28.462 28.738 0.065 0.000 0.906 399 Q HN 0.301 nan 8.270 nan 0.000 0.426 400 Y N 3.084 123.386 120.300 0.003 0.000 2.834 400 Y HA -0.139 4.410 4.550 -0.001 0.000 0.355 400 Y C 0.856 176.761 175.900 0.008 0.000 1.287 400 Y CA 0.385 58.486 58.100 0.002 0.000 1.647 400 Y CB 0.090 38.542 38.460 -0.015 0.000 1.221 400 Y HN -0.001 nan 8.280 nan 0.000 0.519 401 K N 4.251 124.496 120.400 -0.258 0.000 2.404 401 K HA 0.198 4.517 4.320 -0.002 0.000 0.194 401 K C 0.554 176.999 176.600 -0.259 0.000 1.023 401 K CA -0.003 56.178 56.287 -0.176 0.000 1.094 401 K CB 0.519 32.958 32.500 -0.102 0.000 0.841 401 K HN 0.488 nan 8.250 nan 0.000 0.523 402 R N 0.481 120.598 120.500 -0.638 0.000 2.568 402 R HA 0.265 4.604 4.340 -0.002 0.000 0.206 402 R C -0.267 176.032 176.300 -0.002 0.000 1.178 402 R CA -0.927 54.932 56.100 -0.401 0.000 1.040 402 R CB 0.022 29.947 30.300 -0.625 0.000 1.562 402 R HN 0.006 nan 8.270 nan 0.000 0.512 403 L N 1.257 122.587 121.223 0.178 0.000 2.313 403 L HA 0.229 4.568 4.340 -0.002 0.000 0.282 403 L C -1.173 175.874 176.870 0.295 0.000 1.092 403 L CA 0.198 55.211 54.840 0.287 0.000 0.831 403 L CB 1.130 43.410 42.059 0.369 0.000 1.159 403 L HN 0.152 nan 8.230 nan 0.000 0.442 404 V N 6.073 126.110 119.914 0.204 0.000 2.495 404 V HA 0.242 4.361 4.120 -0.002 0.000 0.298 404 V C 0.052 176.222 176.094 0.127 0.000 1.031 404 V CA -1.004 61.326 62.300 0.050 0.000 0.871 404 V CB 1.613 33.469 31.823 0.055 0.000 0.988 404 V HN 0.634 nan 8.190 nan 0.000 0.432 405 L N 5.310 126.588 121.223 0.092 0.000 3.036 405 L HA 0.366 4.705 4.340 -0.002 0.000 0.304 405 L C 1.083 178.032 176.870 0.131 0.000 1.203 405 L CA 1.960 56.937 54.840 0.229 0.000 1.194 405 L CB -0.928 41.252 42.059 0.200 0.000 1.517 405 L HN 1.038 nan 8.230 nan 0.000 0.423 406 G N 1.901 110.782 108.800 0.134 0.000 2.813 406 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.194 406 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.194 406 G C 0.169 175.117 174.900 0.080 0.000 1.010 406 G CA -0.007 45.145 45.100 0.087 0.000 0.771 406 G HN 0.623 nan 8.290 nan 0.000 0.485 407 K N 1.367 121.823 120.400 0.094 0.000 2.267 407 K HA 0.725 5.044 4.320 -0.002 0.000 0.236 407 K C 0.176 176.835 176.600 0.099 0.000 1.030 407 K CA -0.339 55.999 56.287 0.085 0.000 0.930 407 K CB 1.062 33.612 32.500 0.083 0.000 1.182 407 K HN 0.388 nan 8.250 nan 0.000 0.474 408 E N -0.837 119.412 120.200 0.083 0.000 2.264 408 E HA 0.621 4.970 4.350 -0.002 0.000 0.260 408 E C -1.153 175.495 176.600 0.080 0.000 0.961 408 E CA -1.097 55.353 56.400 0.082 0.000 0.834 408 E CB 1.565 31.303 29.700 0.064 0.000 1.230 408 E HN 0.342 nan 8.360 nan 0.000 0.412 409 V N -1.779 118.181 119.914 0.077 0.000 2.891 409 V HA 0.666 4.785 4.120 -0.002 0.000 0.304 409 V C -0.978 175.155 176.094 0.065 0.000 1.171 409 V CA -1.229 61.111 62.300 0.067 0.000 0.943 409 V CB 1.702 33.569 31.823 0.073 0.000 1.037 409 V HN 0.741 nan 8.190 nan 0.000 0.427 410 R N 3.730 124.266 120.500 0.059 0.000 2.316 410 R HA 0.563 4.902 4.340 -0.002 0.000 0.314 410 R C -0.698 175.652 176.300 0.084 0.000 1.069 410 R CA -0.497 55.642 56.100 0.064 0.000 0.959 410 R CB 0.173 30.505 30.300 0.054 0.000 0.987 410 R HN 0.895 nan 8.270 nan 0.000 0.446 411 L N 5.092 126.359 121.223 0.075 0.000 2.313 411 L HA 0.306 4.645 4.340 -0.002 0.000 0.282 411 L C 0.628 177.655 176.870 0.261 0.000 1.092 411 L CA -0.794 54.111 54.840 0.110 0.000 0.831 411 L CB 0.644 42.596 42.059 -0.178 0.000 1.159 411 L HN 0.588 nan 8.230 nan 0.000 0.442 412 R N 4.109 124.852 120.500 0.406 0.000 2.584 412 R HA -0.197 4.142 4.340 -0.002 0.000 0.315 412 R C 0.537 177.064 176.300 0.379 0.000 0.863 412 R CA 0.994 57.293 56.100 0.332 0.000 1.139 412 R CB -0.890 29.562 30.300 0.253 0.000 0.880 412 R HN 0.756 nan 8.270 nan 0.000 0.413 413 N N 0.925 119.735 118.700 0.184 0.000 2.741 413 N HA -0.331 4.408 4.740 -0.002 0.000 0.251 413 N C -0.621 174.929 175.510 0.067 0.000 1.112 413 N CA 0.750 53.869 53.050 0.115 0.000 0.750 413 N CB -0.554 38.004 38.487 0.117 0.000 1.119 413 N HN 0.723 nan 8.380 nan 0.000 0.561 414 A N -0.812 122.016 122.820 0.012 0.000 4.069 414 A HA 0.707 5.026 4.320 -0.002 0.000 0.188 414 A C -1.032 176.316 177.584 -0.393 0.000 0.718 414 A CA -0.469 51.390 52.037 -0.296 0.000 0.753 414 A CB 0.365 19.222 19.000 -0.238 0.000 1.566 414 A HN 0.131 nan 8.150 nan 0.000 0.836 415 Y N -0.614 119.549 120.300 -0.228 0.000 2.374 415 Y HA 0.507 5.056 4.550 -0.001 0.000 0.322 415 Y C 0.471 176.357 175.900 -0.023 0.000 1.275 415 Y CA -0.493 57.545 58.100 -0.103 0.000 1.307 415 Y CB 0.931 39.364 38.460 -0.046 0.000 1.282 415 Y HN 0.258 nan 8.280 nan 0.000 0.509 416 V N 4.192 124.225 119.914 0.198 0.000 2.509 416 V HA 0.348 4.467 4.120 -0.002 0.000 0.284 416 V C 0.036 176.212 176.094 0.137 0.000 1.047 416 V CA -0.554 61.819 62.300 0.121 0.000 0.952 416 V CB 0.589 32.462 31.823 0.082 0.000 0.988 416 V HN 0.609 nan 8.190 nan 0.000 0.469 417 I N 1.691 122.326 120.570 0.108 0.000 2.892 417 I HA 0.711 4.880 4.170 -0.002 0.000 0.306 417 I C -0.725 175.444 176.117 0.086 0.000 1.078 417 I CA -0.987 60.377 61.300 0.106 0.000 1.032 417 I CB 2.176 40.227 38.000 0.085 0.000 1.229 417 I HN 0.534 nan 8.210 nan 0.000 0.435 418 K N 3.827 124.276 120.400 0.083 0.000 2.376 418 K HA 0.741 5.060 4.320 -0.002 0.000 0.257 418 K C -0.738 175.918 176.600 0.093 0.000 0.939 418 K CA -0.530 55.807 56.287 0.085 0.000 0.809 418 K CB 1.926 34.467 32.500 0.069 0.000 1.121 418 K HN 0.941 nan 8.250 nan 0.000 0.425 419 A N 3.656 126.552 122.820 0.128 0.000 2.407 419 A HA 0.219 4.538 4.320 -0.002 0.000 0.248 419 A C 0.022 177.688 177.584 0.137 0.000 1.082 419 A CA 0.132 52.258 52.037 0.148 0.000 0.785 419 A CB 0.414 19.608 19.000 0.322 0.000 1.020 419 A HN 1.045 nan 8.150 nan 0.000 0.489 420 E N -0.182 120.093 120.200 0.125 0.000 3.383 420 E HA 0.120 4.469 4.350 -0.002 0.000 0.256 420 E C 0.180 176.838 176.600 0.097 0.000 1.197 420 E CA -0.304 56.157 56.400 0.102 0.000 1.851 420 E CB 0.442 30.187 29.700 0.074 0.000 2.128 420 E HN 0.539 nan 8.360 nan 0.000 0.951 421 R N 2.039 122.602 120.500 0.105 0.000 2.439 421 R HA 0.484 4.823 4.340 -0.002 0.000 0.310 421 R C -1.185 175.227 176.300 0.186 0.000 0.955 421 R CA -0.178 55.964 56.100 0.070 0.000 0.853 421 R CB 1.956 32.198 30.300 -0.096 0.000 1.171 421 R HN 0.012 nan 8.270 nan 0.000 0.449 422 V N 2.603 122.609 119.914 0.154 0.000 3.302 422 V HA 0.518 4.637 4.120 -0.002 0.000 0.316 422 V C -0.668 175.534 176.094 0.179 0.000 1.111 422 V CA -0.404 61.997 62.300 0.168 0.000 1.029 422 V CB 1.906 33.838 31.823 0.181 0.000 1.170 422 V HN 0.898 nan 8.190 nan 0.000 0.452 423 E N 1.464 121.768 120.200 0.173 0.000 2.343 423 E HA 0.403 4.752 4.350 -0.002 0.000 0.286 423 E C -1.459 175.205 176.600 0.107 0.000 0.915 423 E CA -0.632 55.860 56.400 0.153 0.000 0.784 423 E CB 1.662 31.529 29.700 0.278 0.000 1.251 423 E HN 0.661 nan 8.360 nan 0.000 0.407 424 K N 2.149 122.597 120.400 0.081 0.000 2.393 424 K HA 0.382 4.701 4.320 -0.002 0.000 0.241 424 K C -0.122 176.511 176.600 0.055 0.000 1.055 424 K CA -0.661 55.666 56.287 0.067 0.000 0.951 424 K CB 0.834 33.370 32.500 0.060 0.000 1.285 424 K HN 0.590 nan 8.250 nan 0.000 0.500 425 D N -0.759 119.669 120.400 0.047 0.000 2.697 425 D HA 0.224 4.863 4.640 -0.002 0.000 0.214 425 D C 0.903 177.222 176.300 0.031 0.000 1.252 425 D CA -0.363 53.660 54.000 0.038 0.000 1.090 425 D CB -0.312 40.511 40.800 0.039 0.000 1.203 425 D HN 0.379 nan 8.370 nan 0.000 0.626 426 A N 0.319 123.155 122.820 0.027 0.000 1.821 426 A HA -0.175 4.144 4.320 -0.002 0.000 0.215 426 A C 1.898 179.494 177.584 0.021 0.000 1.216 426 A CA 1.945 53.995 52.037 0.021 0.000 0.615 426 A CB -1.356 17.655 19.000 0.019 0.000 0.862 426 A HN 0.712 nan 8.150 nan 0.000 0.450 427 E N -0.504 119.709 120.200 0.022 0.000 2.501 427 E HA 0.080 4.429 4.350 -0.002 0.000 0.203 427 E C 0.912 177.526 176.600 0.024 0.000 1.072 427 E CA 0.541 56.954 56.400 0.021 0.000 0.885 427 E CB -0.603 29.109 29.700 0.020 0.000 0.813 427 E HN 0.938 nan 8.360 nan 0.000 0.556 428 G N 0.714 109.532 108.800 0.029 0.000 2.137 428 G HA2 -0.296 3.662 3.960 -0.002 0.000 0.237 428 G HA3 -0.296 3.662 3.960 -0.002 0.000 0.237 428 G C -0.419 174.508 174.900 0.044 0.000 1.002 428 G CA 0.225 45.346 45.100 0.034 0.000 0.702 428 G HN 0.393 nan 8.290 nan 0.000 0.515 429 N N -0.444 118.284 118.700 0.046 0.000 2.524 429 N HA 0.565 5.304 4.740 -0.002 0.000 0.283 429 N C 0.570 176.120 175.510 0.067 0.000 1.142 429 N CA -0.692 52.392 53.050 0.055 0.000 0.984 429 N CB 1.070 39.587 38.487 0.048 0.000 1.155 429 N HN 0.252 nan 8.380 nan 0.000 0.467 430 I N 1.140 121.760 120.570 0.083 0.000 2.496 430 I HA -0.000 4.169 4.170 -0.002 0.000 0.285 430 I C 1.592 177.748 176.117 0.065 0.000 1.080 430 I CA 0.053 61.404 61.300 0.085 0.000 1.404 430 I CB 0.879 38.947 38.000 0.113 0.000 1.403 430 I HN 0.767 nan 8.210 nan 0.000 0.539 431 T N -0.142 114.443 114.554 0.053 0.000 3.000 431 T HA 0.082 4.431 4.350 -0.002 0.000 0.248 431 T C 0.653 175.345 174.700 -0.014 0.000 1.034 431 T CA 0.096 62.221 62.100 0.042 0.000 1.060 431 T CB 0.459 69.356 68.868 0.048 0.000 0.983 431 T HN 0.634 nan 8.240 nan 0.000 0.482 432 T N 0.489 115.010 114.554 -0.054 0.000 3.012 432 T HA 0.590 4.939 4.350 -0.002 0.000 0.330 432 T C -2.076 172.453 174.700 -0.286 0.000 1.321 432 T CA -0.878 61.079 62.100 -0.239 0.000 1.067 432 T CB 1.273 69.916 68.868 -0.376 0.000 1.235 432 T HN 0.282 nan 8.240 nan 0.000 0.479 433 I N 4.700 125.001 120.570 -0.450 0.000 2.382 433 I HA 0.461 4.630 4.170 -0.002 0.000 0.286 433 I C -0.794 175.054 176.117 -0.447 0.000 1.002 433 I CA -0.803 60.250 61.300 -0.412 0.000 1.135 433 I CB 1.112 38.748 38.000 -0.607 0.000 1.288 433 I HN 0.509 nan 8.210 nan 0.000 0.448 434 F N 4.943 124.788 119.950 -0.175 0.000 2.385 434 F HA 0.567 5.093 4.527 -0.002 0.000 0.336 434 F C 0.508 176.252 175.800 -0.094 0.000 1.100 434 F CA -0.346 57.582 58.000 -0.120 0.000 1.116 434 F CB 1.090 40.042 39.000 -0.080 0.000 1.166 434 F HN 0.411 nan 8.300 nan 0.000 0.511 435 C N -0.060 119.282 119.300 0.070 0.000 3.340 435 C HA 0.842 5.301 4.460 -0.002 0.000 0.333 435 C C -0.291 174.748 174.990 0.082 0.000 1.464 435 C CA -0.953 58.100 59.018 0.058 0.000 1.337 435 C CB 2.035 29.779 27.740 0.007 0.000 1.740 435 C HN 0.908 nan 8.230 nan 0.000 0.450 436 T N -0.859 113.753 114.554 0.097 0.000 2.906 436 T HA 0.754 5.103 4.350 -0.002 0.000 0.295 436 T C -1.257 173.553 174.700 0.183 0.000 1.061 436 T CA -0.392 61.789 62.100 0.136 0.000 1.000 436 T CB 1.623 70.540 68.868 0.083 0.000 1.103 436 T HN 1.156 nan 8.240 nan 0.000 0.486 437 Y N -0.123 120.174 120.300 -0.004 0.000 2.485 437 Y HA 0.675 5.223 4.550 -0.002 0.000 0.345 437 Y C -0.646 175.216 175.900 -0.063 0.000 0.998 437 Y CA -1.846 56.238 58.100 -0.027 0.000 1.059 437 Y CB 1.368 39.800 38.460 -0.046 0.000 1.234 437 Y HN 0.698 nan 8.280 nan 0.000 0.461 438 D N 3.567 123.809 120.400 -0.262 0.000 2.352 438 D HA 0.206 4.845 4.640 -0.002 0.000 0.245 438 D C 1.212 177.178 176.300 -0.556 0.000 1.224 438 D CA 0.775 54.574 54.000 -0.335 0.000 0.879 438 D CB 1.528 42.265 40.800 -0.105 0.000 1.057 438 D HN 0.968 nan 8.370 nan 0.000 0.491 439 A N 4.586 126.945 122.820 -0.769 0.000 1.916 439 A HA -0.265 4.054 4.320 -0.002 0.000 0.224 439 A C 1.101 178.539 177.584 -0.242 0.000 1.366 439 A CA 2.091 53.739 52.037 -0.649 0.000 0.692 439 A CB -0.296 18.487 19.000 -0.362 0.000 0.841 439 A HN 0.649 nan 8.150 nan 0.000 0.480 440 D N -1.167 119.178 120.400 -0.092 0.000 2.438 440 D HA 0.457 5.096 4.640 -0.002 0.000 0.257 440 D C -0.769 175.573 176.300 0.070 0.000 1.148 440 D CA 0.366 54.401 54.000 0.058 0.000 0.902 440 D CB 0.444 41.255 40.800 0.019 0.000 1.062 440 D HN 0.180 nan 8.370 nan 0.000 0.518 441 T N 2.817 117.471 114.554 0.166 0.000 3.446 441 T HA 0.521 4.870 4.350 -0.002 0.000 0.289 441 T C -0.051 174.675 174.700 0.043 0.000 1.203 441 T CA -0.763 61.396 62.100 0.098 0.000 1.645 441 T CB -0.671 68.258 68.868 0.102 0.000 0.841 441 T HN 0.455 nan 8.240 nan 0.000 0.617 455 V N 0.863 120.787 119.914 0.018 0.000 2.623 455 V HA 0.668 4.787 4.120 -0.002 0.000 0.304 455 V C -0.016 176.118 176.094 0.066 0.000 1.054 455 V CA -0.591 61.741 62.300 0.053 0.000 0.882 455 V CB 1.283 33.145 31.823 0.065 0.000 1.002 455 V HN 0.987 nan 8.190 nan 0.000 0.424 456 I N 1.137 121.760 120.570 0.089 0.000 2.846 456 I HA 0.813 4.982 4.170 -0.002 0.000 0.307 456 I C -0.146 176.064 176.117 0.154 0.000 1.053 456 I CA -0.893 60.446 61.300 0.065 0.000 1.050 456 I CB 2.160 40.150 38.000 -0.018 0.000 1.239 456 I HN 0.857 nan 8.210 nan 0.000 0.439 457 H N 1.903 121.049 119.070 0.126 0.000 2.495 457 H HA 0.733 5.288 4.556 -0.002 0.000 0.350 457 H C -1.087 174.337 175.328 0.160 0.000 1.202 457 H CA -0.675 55.414 56.048 0.068 0.000 1.322 457 H CB 1.124 30.832 29.762 -0.091 0.000 1.544 457 H HN 0.847 nan 8.280 nan 0.000 0.565 458 W N -0.925 120.393 121.300 0.030 0.000 2.959 458 W HA 0.595 5.254 4.660 -0.002 0.000 0.358 458 W C -2.485 174.031 176.519 -0.004 0.000 1.228 458 W CA -1.177 56.156 57.345 -0.021 0.000 1.183 458 W CB 0.496 29.922 29.460 -0.056 0.000 1.467 458 W HN 0.608 nan 8.180 nan 0.000 0.578 459 V N 1.791 121.799 119.914 0.157 0.000 2.711 459 V HA 0.225 4.344 4.120 -0.002 0.000 0.304 459 V C 0.084 176.317 176.094 0.231 0.000 1.097 459 V CA -0.639 61.669 62.300 0.014 0.000 0.906 459 V CB 1.594 33.425 31.823 0.013 0.000 1.015 459 V HN 0.612 nan 8.190 nan 0.000 0.427 460 S N 3.594 119.422 115.700 0.214 0.000 2.515 460 S HA 0.297 4.765 4.470 -0.002 0.000 0.285 460 S C 1.497 176.107 174.600 0.017 0.000 1.265 460 S CA 0.237 58.493 58.200 0.094 0.000 1.079 460 S CB 1.064 64.360 63.200 0.159 0.000 0.877 460 S HN 1.179 nan 8.310 nan 0.000 0.493 461 A N 5.319 127.986 122.820 -0.255 0.000 1.978 461 A HA 0.018 4.337 4.320 -0.002 0.000 0.220 461 A C 2.323 179.794 177.584 -0.189 0.000 1.170 461 A CA 1.886 53.689 52.037 -0.390 0.000 0.636 461 A CB -1.099 17.329 19.000 -0.954 0.000 0.810 461 A HN 1.202 nan 8.150 nan 0.000 0.448 462 A N -1.096 121.616 122.820 -0.180 0.000 1.970 462 A HA 0.010 4.329 4.320 -0.002 0.000 0.216 462 A C 1.679 179.059 177.584 -0.339 0.000 1.170 462 A CA 1.477 53.344 52.037 -0.282 0.000 0.645 462 A CB -0.545 18.211 19.000 -0.406 0.000 0.816 462 A HN 0.658 nan 8.150 nan 0.000 0.447 463 H N -0.658 118.389 119.070 -0.038 0.000 2.549 463 H HA 0.585 5.141 4.556 -0.001 0.000 0.279 463 H C 0.760 176.090 175.328 0.003 0.000 1.018 463 H CA -0.165 55.877 56.048 -0.009 0.000 1.175 463 H CB -0.159 29.602 29.762 -0.003 0.000 1.485 463 H HN 0.458 nan 8.280 nan 0.000 0.543 464 A N 1.346 124.232 122.820 0.109 0.000 2.425 464 A HA 0.321 4.640 4.320 -0.002 0.000 0.249 464 A C -0.177 177.496 177.584 0.147 0.000 1.084 464 A CA -0.423 51.686 52.037 0.120 0.000 0.781 464 A CB 0.012 19.097 19.000 0.142 0.000 1.019 464 A HN 0.319 nan 8.150 nan 0.000 0.490 465 L N 4.531 125.824 121.223 0.118 0.000 2.264 465 L HA 0.532 4.871 4.340 -0.002 0.000 0.289 465 L C -2.467 174.468 176.870 0.109 0.000 1.044 465 L CA -2.161 52.736 54.840 0.095 0.000 0.807 465 L CB 0.959 43.036 42.059 0.029 0.000 1.192 465 L HN 0.315 nan 8.230 nan 0.000 0.425 466 P HA 0.165 nan 4.420 nan 0.000 0.266 466 P C -1.120 176.126 177.300 -0.090 0.000 1.215 466 P CA 0.150 63.228 63.100 -0.037 0.000 0.763 466 P CB 0.884 32.592 31.700 0.015 0.000 0.806 467 V N 3.384 123.176 119.914 -0.204 0.000 2.876 467 V HA 0.305 4.424 4.120 -0.002 0.000 0.312 467 V C -0.064 175.968 176.094 -0.103 0.000 1.085 467 V CA -0.746 61.504 62.300 -0.085 0.000 0.945 467 V CB 2.330 34.102 31.823 -0.085 0.000 1.017 467 V HN 0.442 nan 8.190 nan 0.000 0.428 468 E N 4.015 124.228 120.200 0.021 0.000 2.146 468 E HA 0.543 4.892 4.350 -0.002 0.000 0.282 468 E C -1.290 175.371 176.600 0.102 0.000 0.989 468 E CA -0.414 55.991 56.400 0.008 0.000 0.799 468 E CB 1.119 30.829 29.700 0.016 0.000 1.088 468 E HN 0.584 nan 8.360 nan 0.000 0.397 469 I N 5.066 125.667 120.570 0.051 0.000 2.378 469 I HA 0.339 4.508 4.170 -0.002 0.000 0.291 469 I C -0.028 176.136 176.117 0.079 0.000 0.992 469 I CA -0.786 60.600 61.300 0.143 0.000 1.154 469 I CB 1.477 39.538 38.000 0.102 0.000 1.315 469 I HN 0.422 nan 8.210 nan 0.000 0.448 470 R N 7.318 127.874 120.500 0.093 0.000 2.239 470 R HA 0.509 4.848 4.340 -0.002 0.000 0.332 470 R C -1.018 175.099 176.300 -0.305 0.000 0.988 470 R CA -0.680 55.325 56.100 -0.159 0.000 0.859 470 R CB 0.963 31.145 30.300 -0.195 0.000 1.148 470 R HN 0.514 nan 8.270 nan 0.000 0.482 471 L N 3.952 125.010 121.223 -0.274 0.000 2.305 471 L HA 0.377 4.716 4.340 -0.002 0.000 0.281 471 L C -0.412 176.219 176.870 -0.398 0.000 1.085 471 L CA -0.429 54.290 54.840 -0.202 0.000 0.813 471 L CB 0.157 42.176 42.059 -0.066 0.000 1.157 471 L HN 0.408 nan 8.230 nan 0.000 0.436 472 Y N 0.907 121.197 120.300 -0.017 0.000 2.621 472 Y HA 0.603 5.152 4.550 -0.002 0.000 0.334 472 Y C -0.061 175.820 175.900 -0.031 0.000 1.074 472 Y CA -0.660 57.428 58.100 -0.021 0.000 1.149 472 Y CB 1.927 40.377 38.460 -0.018 0.000 1.302 472 Y HN 0.526 nan 8.280 nan 0.000 0.501 473 D N -1.112 119.378 120.400 0.151 0.000 2.713 473 D HA 0.242 4.881 4.640 -0.002 0.000 0.306 473 D C -1.417 174.898 176.300 0.025 0.000 1.299 473 D CA -0.960 53.068 54.000 0.048 0.000 0.823 473 D CB 1.117 41.916 40.800 -0.001 0.000 1.353 473 D HN 0.543 nan 8.370 nan 0.000 0.447 474 R N 1.026 121.507 120.500 -0.032 0.000 2.523 474 R HA 0.043 4.382 4.340 -0.002 0.000 0.281 474 R C 1.039 177.338 176.300 -0.002 0.000 0.969 474 R CA -0.104 55.987 56.100 -0.014 0.000 1.093 474 R CB 0.201 30.419 30.300 -0.138 0.000 0.917 474 R HN 0.500 nan 8.270 nan 0.000 0.408 475 L N 1.637 122.860 121.223 -0.001 0.000 2.093 475 L HA 0.000 4.339 4.340 -0.002 0.000 0.208 475 L C 0.192 176.797 176.870 -0.441 0.000 1.085 475 L CA 1.286 55.987 54.840 -0.231 0.000 0.755 475 L CB 0.110 41.983 42.059 -0.309 0.000 0.904 475 L HN 0.551 nan 8.230 nan 0.000 0.435 476 F N -2.573 117.451 119.950 0.124 0.000 2.523 476 F HA 0.240 4.766 4.527 -0.002 0.000 0.329 476 F C 1.389 177.308 175.800 0.198 0.000 1.061 476 F CA -0.631 57.456 58.000 0.144 0.000 0.967 476 F CB 1.611 40.708 39.000 0.162 0.000 1.218 476 F HN -0.360 nan 8.300 nan 0.000 0.480 477 S N -0.107 115.804 115.700 0.351 0.000 2.501 477 S HA 0.090 4.559 4.470 -0.002 0.000 0.220 477 S C 0.218 175.043 174.600 0.375 0.000 0.997 477 S CA 0.068 58.432 58.200 0.274 0.000 0.919 477 S CB -0.037 63.259 63.200 0.161 0.000 0.778 477 S HN 0.394 nan 8.310 nan 0.000 0.523 478 V N -1.114 119.001 119.914 0.334 0.000 2.769 478 V HA 0.513 4.632 4.120 -0.002 0.000 0.312 478 V C -2.521 173.446 176.094 -0.212 0.000 1.058 478 V CA -2.304 60.073 62.300 0.128 0.000 0.952 478 V CB 1.491 33.341 31.823 0.045 0.000 1.019 478 V HN -0.150 nan 8.190 nan 0.000 0.445 479 P HA -0.072 nan 4.420 nan 0.000 0.216 479 P C 0.407 177.428 177.300 -0.464 0.000 1.150 479 P CA 1.446 64.004 63.100 -0.904 0.000 0.837 479 P CB 0.110 31.492 31.700 -0.529 0.000 0.786 480 N N -1.218 117.313 118.700 -0.281 0.000 2.886 480 N HA 0.122 4.861 4.740 -0.002 0.000 0.285 480 N C -1.802 173.579 175.510 -0.215 0.000 1.706 480 N CA -2.274 50.645 53.050 -0.219 0.000 0.904 480 N CB 0.244 38.633 38.487 -0.164 0.000 1.224 480 N HN -0.020 nan 8.380 nan 0.000 0.488 481 P HA -0.048 nan 4.420 nan 0.000 0.221 481 P C 1.268 178.376 177.300 -0.321 0.000 1.145 481 P CA 0.762 63.639 63.100 -0.371 0.000 0.795 481 P CB 0.148 31.268 31.700 -0.965 0.000 0.775 482 G N 0.514 109.107 108.800 -0.346 0.000 2.471 482 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.219 482 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.219 482 G C 1.555 176.339 174.900 -0.194 0.000 1.125 482 G CA 0.635 45.540 45.100 -0.326 0.000 0.775 482 G HN 0.407 nan 8.290 nan 0.000 0.548 483 A N -0.158 122.575 122.820 -0.145 0.000 2.278 483 A HA 0.738 5.057 4.320 -0.002 0.000 0.212 483 A C 1.351 178.903 177.584 -0.052 0.000 1.213 483 A CA 0.697 52.679 52.037 -0.092 0.000 0.840 483 A CB -0.180 18.768 19.000 -0.087 0.000 0.866 483 A HN 0.596 nan 8.150 nan 0.000 0.489 484 A N -0.268 122.533 122.820 -0.033 0.000 2.302 484 A HA 0.434 4.753 4.320 -0.002 0.000 0.285 484 A C 0.684 178.294 177.584 0.043 0.000 1.105 484 A CA -0.220 51.825 52.037 0.014 0.000 0.816 484 A CB 0.370 19.395 19.000 0.042 0.000 1.067 484 A HN 0.309 nan 8.150 nan 0.000 0.489 485 D N 0.020 120.442 120.400 0.035 0.000 2.104 485 D HA -0.113 4.526 4.640 -0.002 0.000 0.194 485 D C -0.173 176.170 176.300 0.071 0.000 0.994 485 D CA 1.812 55.835 54.000 0.039 0.000 0.830 485 D CB 0.215 41.029 40.800 0.023 0.000 0.959 485 D HN 0.628 nan 8.370 nan 0.000 0.452 486 D N -0.371 120.068 120.400 0.065 0.000 2.378 486 D HA 0.029 4.668 4.640 -0.002 0.000 0.265 486 D C 0.879 177.201 176.300 0.036 0.000 1.229 486 D CA -0.665 53.363 54.000 0.048 0.000 0.914 486 D CB 0.013 40.806 40.800 -0.012 0.000 1.140 486 D HN -0.093 nan 8.370 nan 0.000 0.516 487 F N 2.245 122.184 119.950 -0.018 0.000 2.250 487 F HA -0.083 4.443 4.527 -0.002 0.000 0.301 487 F C 1.249 177.126 175.800 0.128 0.000 1.077 487 F CA 0.693 58.678 58.000 -0.026 0.000 1.348 487 F CB -0.720 38.183 39.000 -0.163 0.000 1.040 487 F HN 0.261 nan 8.300 nan 0.000 0.509 488 L N 0.992 121.749 121.223 -0.778 0.000 2.046 488 L HA -0.198 4.141 4.340 -0.002 0.000 0.208 488 L C 2.777 179.502 176.870 -0.242 0.000 1.077 488 L CA 1.684 56.190 54.840 -0.558 0.000 0.747 488 L CB -1.059 40.637 42.059 -0.604 0.000 0.896 488 L HN 0.464 nan 8.230 nan 0.000 0.432 489 S N -1.531 114.071 115.700 -0.163 0.000 2.584 489 S HA -0.082 4.387 4.470 -0.002 0.000 0.240 489 S C 1.291 175.883 174.600 -0.014 0.000 0.975 489 S CA 0.452 58.601 58.200 -0.086 0.000 0.949 489 S CB -0.034 63.133 63.200 -0.055 0.000 0.761 489 S HN 0.232 nan 8.310 nan 0.000 0.536 490 V N 1.076 121.029 119.914 0.065 0.000 3.176 490 V HA 0.438 4.557 4.120 -0.002 0.000 0.332 490 V C 0.096 176.342 176.094 0.253 0.000 1.414 490 V CA -0.630 61.763 62.300 0.155 0.000 1.133 490 V CB -0.249 31.677 31.823 0.172 0.000 1.088 490 V HN 0.478 nan 8.190 nan 0.000 0.473 491 I N 1.930 122.554 120.570 0.091 0.000 2.754 491 I HA 0.054 4.223 4.170 -0.002 0.000 0.285 491 I C 0.632 176.686 176.117 -0.106 0.000 1.166 491 I CA 0.290 61.492 61.300 -0.162 0.000 1.417 491 I CB 0.431 38.246 38.000 -0.308 0.000 1.382 491 I HN 0.269 nan 8.210 nan 0.000 0.588 492 N N 8.617 127.229 118.700 -0.147 0.000 2.406 492 N HA 0.160 4.899 4.740 -0.002 0.000 0.251 492 N C -1.568 173.892 175.510 -0.082 0.000 1.069 492 N CA -2.130 50.880 53.050 -0.067 0.000 0.947 492 N CB 0.946 39.407 38.487 -0.042 0.000 1.111 492 N HN 0.265 nan 8.380 nan 0.000 0.497 493 P HA -0.113 nan 4.420 nan 0.000 0.223 493 P C -0.324 176.950 177.300 -0.044 0.000 1.144 493 P CA 1.264 64.333 63.100 -0.052 0.000 0.783 493 P CB 0.394 32.071 31.700 -0.038 0.000 0.771 494 E N -0.408 119.767 120.200 -0.040 0.000 2.569 494 E HA 0.079 4.428 4.350 -0.002 0.000 0.205 494 E C 1.336 177.915 176.600 -0.035 0.000 1.006 494 E CA -0.038 56.340 56.400 -0.038 0.000 0.985 494 E CB 0.163 29.844 29.700 -0.031 0.000 1.060 494 E HN 0.269 nan 8.360 nan 0.000 0.460 495 S N 0.445 116.125 115.700 -0.033 0.000 2.507 495 S HA -0.071 4.398 4.470 -0.002 0.000 0.235 495 S C 0.623 175.252 174.600 0.048 0.000 0.988 495 S CA 0.229 58.428 58.200 -0.002 0.000 0.944 495 S CB -0.056 63.122 63.200 -0.036 0.000 0.762 495 S HN 0.226 nan 8.310 nan 0.000 0.526 496 L N 0.631 121.841 121.223 -0.020 0.000 2.562 496 L HA 0.737 5.075 4.340 -0.002 0.000 0.266 496 L C -1.235 175.555 176.870 -0.133 0.000 0.949 496 L CA -0.836 53.935 54.840 -0.114 0.000 0.879 496 L CB 2.204 44.239 42.059 -0.041 0.000 1.278 496 L HN 0.080 nan 8.230 nan 0.000 0.404 497 V N 5.904 125.709 119.914 -0.183 0.000 2.577 497 V HA 0.673 4.792 4.120 -0.002 0.000 0.303 497 V C -0.990 175.016 176.094 -0.147 0.000 1.042 497 V CA -0.386 61.839 62.300 -0.126 0.000 0.872 497 V CB 1.861 33.634 31.823 -0.083 0.000 0.998 497 V HN 0.716 nan 8.190 nan 0.000 0.423 498 I N 6.862 127.363 120.570 -0.116 0.000 2.321 498 I HA 0.568 4.737 4.170 -0.002 0.000 0.291 498 I C -0.027 176.039 176.117 -0.085 0.000 0.998 498 I CA -0.600 60.637 61.300 -0.105 0.000 1.227 498 I CB 1.410 39.350 38.000 -0.099 0.000 1.368 498 I HN 0.495 nan 8.210 nan 0.000 0.466 499 K N 5.517 125.870 120.400 -0.079 0.000 2.259 499 K HA 0.477 4.796 4.320 -0.002 0.000 0.249 499 K C -0.733 175.792 176.600 -0.126 0.000 0.942 499 K CA -0.894 55.338 56.287 -0.091 0.000 0.816 499 K CB 2.218 34.675 32.500 -0.072 0.000 1.155 499 K HN 0.398 nan 8.250 nan 0.000 0.428 500 Q N 0.888 120.578 119.800 -0.182 0.000 2.325 500 Q HA 0.548 4.887 4.340 -0.002 0.000 0.262 500 Q C 0.061 175.802 176.000 -0.432 0.000 0.968 500 Q CA -0.470 55.169 55.803 -0.273 0.000 0.877 500 Q CB 1.966 30.543 28.738 -0.268 0.000 1.253 500 Q HN 0.887 nan 8.270 nan 0.000 0.448 501 G N 0.940 109.425 108.800 -0.525 0.000 3.086 501 G HA2 0.768 4.727 3.960 -0.002 0.000 0.282 501 G HA3 0.768 4.727 3.960 -0.002 0.000 0.282 501 G C -1.492 172.811 174.900 -0.994 0.000 1.343 501 G CA -0.447 44.231 45.100 -0.703 0.000 0.895 501 G HN 0.310 nan 8.290 nan 0.000 0.557 502 F N 0.044 119.760 119.950 -0.389 0.000 2.540 502 F HA 0.773 5.298 4.527 -0.002 0.000 0.317 502 F C 0.509 176.095 175.800 -0.357 0.000 1.104 502 F CA -0.738 57.049 58.000 -0.355 0.000 0.913 502 F CB 2.481 41.216 39.000 -0.443 0.000 1.170 502 F HN 0.653 nan 8.300 nan 0.000 0.450 503 A N 1.725 124.444 122.820 -0.167 0.000 2.423 503 A HA 0.665 4.984 4.320 -0.002 0.000 0.304 503 A C -0.716 176.722 177.584 -0.243 0.000 1.104 503 A CA -0.872 50.937 52.037 -0.378 0.000 0.757 503 A CB 0.985 19.638 19.000 -0.578 0.000 1.313 503 A HN 0.804 nan 8.150 nan 0.000 0.423 504 E N 2.252 122.257 120.200 -0.325 0.000 2.413 504 E HA 0.124 4.473 4.350 -0.002 0.000 0.263 504 E C -1.686 174.825 176.600 -0.149 0.000 1.015 504 E CA -1.040 55.222 56.400 -0.230 0.000 0.916 504 E CB 0.491 30.012 29.700 -0.297 0.000 0.947 504 E HN 0.357 nan 8.360 nan 0.000 0.440 505 P HA -0.322 nan 4.420 nan 0.000 0.218 505 P C 1.480 178.766 177.300 -0.023 0.000 1.146 505 P CA 1.708 64.802 63.100 -0.011 0.000 0.820 505 P CB 0.090 31.815 31.700 0.041 0.000 0.778 506 S N -0.282 115.385 115.700 -0.055 0.000 2.387 506 S HA -0.132 4.337 4.470 -0.002 0.000 0.230 506 S C 1.800 176.380 174.600 -0.034 0.000 1.035 506 S CA 0.900 59.080 58.200 -0.033 0.000 1.014 506 S CB -0.889 62.282 63.200 -0.049 0.000 0.836 506 S HN -0.055 nan 8.310 nan 0.000 0.466 507 L N 1.553 122.707 121.223 -0.114 0.000 2.622 507 L HA 0.164 4.503 4.340 -0.002 0.000 0.233 507 L C 2.199 179.104 176.870 0.057 0.000 1.156 507 L CA 1.112 55.886 54.840 -0.110 0.000 0.866 507 L CB -1.523 40.390 42.059 -0.243 0.000 0.980 507 L HN 0.395 nan 8.230 nan 0.000 0.448 508 K N 0.873 121.302 120.400 0.047 0.000 2.103 508 K HA -0.169 4.150 4.320 -0.002 0.000 0.207 508 K C 1.137 177.794 176.600 0.096 0.000 1.048 508 K CA 1.455 57.787 56.287 0.075 0.000 0.930 508 K CB -0.012 32.522 32.500 0.057 0.000 0.716 508 K HN 0.234 nan 8.250 nan 0.000 0.444 509 D N 0.376 120.840 120.400 0.107 0.000 2.325 509 D HA 0.117 4.756 4.640 -0.002 0.000 0.225 509 D C -0.221 176.187 176.300 0.179 0.000 1.096 509 D CA 0.274 54.347 54.000 0.123 0.000 0.844 509 D CB 0.135 41.003 40.800 0.113 0.000 0.925 509 D HN 0.303 nan 8.370 nan 0.000 0.513 510 A N 0.977 123.933 122.820 0.226 0.000 2.520 510 A HA 0.295 4.614 4.320 -0.002 0.000 0.235 510 A C 0.599 178.313 177.584 0.216 0.000 1.065 510 A CA -0.136 52.111 52.037 0.350 0.000 0.764 510 A CB 0.423 19.667 19.000 0.406 0.000 1.002 510 A HN 0.095 nan 8.150 nan 0.000 0.502 511 V N -1.040 119.005 119.914 0.218 0.000 2.960 511 V HA 0.867 4.986 4.120 -0.002 0.000 0.315 511 V C 0.418 176.557 176.094 0.075 0.000 1.087 511 V CA -0.651 61.713 62.300 0.108 0.000 0.982 511 V CB 1.062 32.938 31.823 0.088 0.000 1.039 511 V HN 1.725 nan 8.190 nan 0.000 0.437 512 A N 1.816 124.652 122.820 0.026 0.000 2.462 512 A HA 0.633 4.952 4.320 -0.002 0.000 0.243 512 A C 1.506 179.107 177.584 0.027 0.000 1.076 512 A CA 0.738 52.777 52.037 0.003 0.000 0.773 512 A CB -0.302 18.689 19.000 -0.015 0.000 1.010 512 A HN 2.815 nan 8.150 nan 0.000 0.493 513 G N 1.113 109.930 108.800 0.029 0.000 2.729 513 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.216 513 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.216 513 G C 0.640 175.569 174.900 0.048 0.000 1.252 513 G CA 0.577 45.708 45.100 0.051 0.000 0.751 513 G HN 1.110 nan 8.290 nan 0.000 0.527 514 K N 1.886 122.304 120.400 0.030 0.000 2.436 514 K HA 0.555 4.874 4.320 -0.002 0.000 0.275 514 K C 0.331 176.908 176.600 -0.038 0.000 0.999 514 K CA 0.394 56.656 56.287 -0.041 0.000 0.980 514 K CB 0.495 32.944 32.500 -0.086 0.000 0.919 514 K HN 0.912 nan 8.250 nan 0.000 0.484 515 A N 3.650 126.396 122.820 -0.123 0.000 2.330 515 A HA 0.759 5.078 4.320 -0.002 0.000 0.329 515 A C -1.367 176.118 177.584 -0.165 0.000 1.135 515 A CA -0.787 51.242 52.037 -0.014 0.000 0.817 515 A CB 0.566 19.576 19.000 0.018 0.000 1.269 515 A HN 0.615 nan 8.150 nan 0.000 0.469 516 F N -0.657 119.382 119.950 0.148 0.000 2.613 516 F HA 0.515 5.041 4.527 -0.002 0.000 0.314 516 F C 0.204 176.080 175.800 0.128 0.000 1.075 516 F CA -0.419 57.672 58.000 0.153 0.000 0.945 516 F CB 2.255 41.371 39.000 0.193 0.000 1.310 516 F HN 0.595 nan 8.300 nan 0.000 0.467 517 Q N 1.696 121.686 119.800 0.316 0.000 2.314 517 Q HA 0.373 4.712 4.340 -0.002 0.000 0.259 517 Q C -1.634 174.469 176.000 0.172 0.000 0.951 517 Q CA -0.609 55.207 55.803 0.023 0.000 0.909 517 Q CB 0.749 29.388 28.738 -0.164 0.000 1.236 517 Q HN 0.453 nan 8.270 nan 0.000 0.444 518 F N 3.147 123.055 119.950 -0.070 0.000 2.423 518 F HA 0.177 4.702 4.527 -0.002 0.000 0.356 518 F C 0.680 176.301 175.800 -0.297 0.000 1.170 518 F CA -0.892 56.944 58.000 -0.274 0.000 1.163 518 F CB 0.149 38.814 39.000 -0.558 0.000 1.318 518 F HN 0.617 nan 8.300 nan 0.000 0.569 519 E N 3.806 123.936 120.200 -0.116 0.000 2.900 519 E HA -0.147 4.202 4.350 -0.002 0.000 0.259 519 E C 0.652 177.105 176.600 -0.244 0.000 0.918 519 E CA 0.834 57.136 56.400 -0.164 0.000 0.960 519 E CB 0.224 29.846 29.700 -0.130 0.000 0.908 519 E HN 0.562 nan 8.360 nan 0.000 0.511 520 R N 1.939 122.362 120.500 -0.129 0.000 3.989 520 R HA -0.230 4.109 4.340 -0.002 0.000 0.377 520 R C 0.122 176.384 176.300 -0.063 0.000 1.158 520 R CA 1.162 57.225 56.100 -0.062 0.000 1.035 520 R CB -1.155 29.183 30.300 0.063 0.000 1.557 520 R HN 0.590 nan 8.270 nan 0.000 0.551 521 E N -0.795 119.361 120.200 -0.072 0.000 3.249 521 E HA 0.339 4.688 4.350 -0.002 0.000 0.184 521 E C 0.993 177.649 176.600 0.093 0.000 1.163 521 E CA 1.268 57.700 56.400 0.055 0.000 1.353 521 E CB 0.749 30.513 29.700 0.107 0.000 1.466 521 E HN 0.367 nan 8.360 nan 0.000 0.502 522 G N -0.252 108.615 108.800 0.111 0.000 2.323 522 G HA2 0.293 4.252 3.960 -0.002 0.000 0.291 522 G HA3 0.293 4.252 3.960 -0.002 0.000 0.291 522 G C -1.900 172.839 174.900 -0.268 0.000 1.278 522 G CA -0.920 44.092 45.100 -0.148 0.000 0.860 522 G HN 0.004 nan 8.290 nan 0.000 0.504 523 Y N -0.222 119.977 120.300 -0.169 0.000 2.320 523 Y HA 0.744 5.293 4.550 -0.003 0.000 0.334 523 Y C -0.108 175.539 175.900 -0.423 0.000 1.055 523 Y CA -0.232 57.781 58.100 -0.145 0.000 1.143 523 Y CB 1.356 39.725 38.460 -0.151 0.000 1.193 523 Y HN 0.374 nan 8.280 nan 0.000 0.477 524 F N 1.591 121.414 119.950 -0.211 0.000 2.611 524 F HA 0.745 5.270 4.527 -0.002 0.000 0.324 524 F C -0.169 175.677 175.800 0.077 0.000 1.061 524 F CA -1.438 56.437 58.000 -0.207 0.000 0.954 524 F CB 1.614 40.154 39.000 -0.767 0.000 1.301 524 F HN 0.617 nan 8.300 nan 0.000 0.482 525 C N 0.678 120.196 119.300 0.364 0.000 3.241 525 C HA 0.813 5.272 4.460 -0.002 0.000 0.312 525 C C -0.411 174.613 174.990 0.056 0.000 1.350 525 C CA -0.862 58.331 59.018 0.290 0.000 1.415 525 C CB 0.723 28.547 27.740 0.141 0.000 1.770 525 C HN 0.938 nan 8.230 nan 0.000 0.466 526 L N 1.518 122.650 121.223 -0.153 0.000 2.776 526 L HA 0.424 4.763 4.340 -0.002 0.000 0.165 526 L C 1.529 178.281 176.870 -0.197 0.000 1.145 526 L CA 2.279 56.860 54.840 -0.432 0.000 1.230 526 L CB -0.294 41.557 42.059 -0.347 0.000 2.044 526 L HN 1.210 nan 8.230 nan 0.000 0.484 527 D N -1.239 119.060 120.400 -0.169 0.000 4.450 527 D HA -0.370 4.269 4.640 -0.002 0.000 0.209 527 D C 0.653 176.906 176.300 -0.078 0.000 0.603 527 D CA 2.776 56.717 54.000 -0.098 0.000 1.127 527 D CB -1.289 39.466 40.800 -0.074 0.000 0.621 527 D HN 0.860 nan 8.370 nan 0.000 0.431 528 S N -1.582 114.077 115.700 -0.068 0.000 3.490 528 S HA -0.354 4.115 4.470 -0.002 0.000 0.301 528 S C 1.006 175.458 174.600 -0.247 0.000 1.233 528 S CA 2.235 60.407 58.200 -0.048 0.000 0.914 528 S CB -1.621 61.636 63.200 0.096 0.000 1.047 528 S HN 0.927 nan 8.310 nan 0.000 0.602 529 R N -0.164 120.190 120.500 -0.244 0.000 4.002 529 R HA -0.274 4.065 4.340 -0.002 0.000 0.443 529 R C 0.703 176.799 176.300 -0.339 0.000 0.770 529 R CA 2.580 58.478 56.100 -0.336 0.000 1.648 529 R CB -1.982 28.034 30.300 -0.473 0.000 2.287 529 R HN 0.791 nan 8.270 nan 0.000 0.454 530 H N -1.225 117.846 119.070 0.002 0.000 2.639 530 H HA 0.298 4.853 4.556 -0.002 0.000 0.267 530 H C 0.303 175.626 175.328 -0.009 0.000 0.958 530 H CA 0.599 56.648 56.048 0.002 0.000 1.221 530 H CB 0.171 29.940 29.762 0.011 0.000 1.446 530 H HN 0.160 nan 8.280 nan 0.000 0.512 531 S N 2.520 118.258 115.700 0.064 0.000 2.670 531 S HA 0.034 4.503 4.470 -0.002 0.000 0.308 531 S C 0.929 175.536 174.600 0.011 0.000 1.232 531 S CA 0.112 58.318 58.200 0.010 0.000 1.126 531 S CB -0.029 63.124 63.200 -0.080 0.000 0.897 531 S HN 0.600 nan 8.310 nan 0.000 0.508 532 T N 2.469 117.039 114.554 0.026 0.000 2.898 532 T HA 0.747 5.096 4.350 -0.002 0.000 0.283 532 T C 1.370 176.084 174.700 0.023 0.000 1.059 532 T CA -0.194 61.921 62.100 0.025 0.000 0.958 532 T CB 0.535 69.421 68.868 0.030 0.000 1.594 532 T HN 0.536 nan 8.240 nan 0.000 0.598 533 A N 0.124 122.959 122.820 0.026 0.000 1.887 533 A HA 0.198 4.517 4.320 -0.002 0.000 0.212 533 A C 2.126 179.731 177.584 0.035 0.000 1.198 533 A CA 0.892 52.948 52.037 0.031 0.000 0.628 533 A CB -0.936 18.081 19.000 0.028 0.000 0.847 533 A HN 0.822 nan 8.150 nan 0.000 0.449 534 E N 0.168 120.386 120.200 0.031 0.000 2.008 534 E HA -0.022 4.327 4.350 -0.002 0.000 0.191 534 E C 0.906 177.526 176.600 0.033 0.000 0.986 534 E CA 1.291 57.709 56.400 0.030 0.000 0.807 534 E CB -0.080 29.634 29.700 0.024 0.000 0.766 534 E HN 0.334 nan 8.360 nan 0.000 0.450 535 K N 1.539 121.956 120.400 0.029 0.000 2.354 535 K HA 0.257 4.576 4.320 -0.002 0.000 0.257 535 K C -2.750 173.878 176.600 0.046 0.000 1.062 535 K CA -2.736 53.569 56.287 0.030 0.000 0.971 535 K CB 0.991 33.498 32.500 0.012 0.000 1.305 535 K HN -0.140 nan 8.250 nan 0.000 0.449 536 P HA 0.054 nan 4.420 nan 0.000 0.271 536 P C -1.081 176.289 177.300 0.117 0.000 1.216 536 P CA -0.471 62.682 63.100 0.088 0.000 0.776 536 P CB 1.002 32.821 31.700 0.199 0.000 0.881 537 V N 4.309 124.238 119.914 0.024 0.000 2.444 537 V HA 0.418 4.536 4.120 -0.002 0.000 0.294 537 V C -0.518 175.563 176.094 -0.021 0.000 1.022 537 V CA -0.305 62.048 62.300 0.088 0.000 0.850 537 V CB 0.837 32.724 31.823 0.106 0.000 0.992 537 V HN 0.363 nan 8.190 nan 0.000 0.426 538 F N 2.953 122.990 119.950 0.145 0.000 2.469 538 F HA 0.547 5.072 4.527 -0.002 0.000 0.332 538 F C 0.526 176.479 175.800 0.254 0.000 1.103 538 F CA -0.667 57.456 58.000 0.204 0.000 0.979 538 F CB 1.747 40.894 39.000 0.244 0.000 1.137 538 F HN 0.366 nan 8.300 nan 0.000 0.463 539 N N 2.307 121.235 118.700 0.380 0.000 2.419 539 N HA 0.226 4.965 4.740 -0.002 0.000 0.277 539 N C -0.532 175.095 175.510 0.195 0.000 1.006 539 N CA -0.613 52.657 53.050 0.367 0.000 0.923 539 N CB 1.746 40.411 38.487 0.296 0.000 1.140 539 N HN 0.554 nan 8.380 nan 0.000 0.488 540 R N 1.644 122.168 120.500 0.041 0.000 2.288 540 R HA 0.111 4.450 4.340 -0.002 0.000 0.330 540 R C 0.539 176.682 176.300 -0.261 0.000 1.069 540 R CA 0.055 55.772 56.100 -0.639 0.000 0.941 540 R CB 0.296 30.219 30.300 -0.628 0.000 0.998 540 R HN 0.487 nan 8.270 nan 0.000 0.452 541 T N 2.302 116.666 114.554 -0.315 0.000 2.701 541 T HA -0.057 4.292 4.350 -0.002 0.000 0.263 541 T C 0.371 174.969 174.700 -0.170 0.000 1.040 541 T CA 1.160 63.150 62.100 -0.184 0.000 1.147 541 T CB 0.071 68.818 68.868 -0.202 0.000 0.865 541 T HN 0.410 nan 8.240 nan 0.000 0.426 542 V N -0.503 119.303 119.914 -0.180 0.000 3.098 542 V HA 0.656 4.775 4.120 -0.002 0.000 0.294 542 V C -0.473 175.580 176.094 -0.068 0.000 1.351 542 V CA -0.640 61.606 62.300 -0.091 0.000 0.999 542 V CB 1.715 33.492 31.823 -0.077 0.000 1.104 542 V HN 0.435 nan 8.190 nan 0.000 0.438 543 G N 3.237 112.013 108.800 -0.040 0.000 2.616 543 G HA2 0.540 4.499 3.960 -0.002 0.000 0.268 543 G HA3 0.540 4.499 3.960 -0.002 0.000 0.268 543 G C -0.844 174.070 174.900 0.023 0.000 1.213 543 G CA -0.539 44.546 45.100 -0.026 0.000 0.926 543 G HN 0.684 nan 8.290 nan 0.000 0.523 544 L N -0.290 120.934 121.223 0.002 0.000 2.399 544 L HA 0.364 4.703 4.340 -0.002 0.000 0.266 544 L C 1.252 178.145 176.870 0.039 0.000 1.114 544 L CA -0.526 54.325 54.840 0.018 0.000 0.804 544 L CB 1.281 43.321 42.059 -0.032 0.000 1.146 544 L HN 0.580 nan 8.230 nan 0.000 0.451 545 R N 1.734 122.267 120.500 0.055 0.000 2.446 545 R HA 0.015 4.354 4.340 -0.002 0.000 0.314 545 R C -0.957 175.366 176.300 0.038 0.000 1.003 545 R CA 0.168 56.298 56.100 0.049 0.000 1.018 545 R CB -0.148 30.185 30.300 0.054 0.000 0.945 545 R HN 0.564 nan 8.270 nan 0.000 0.419 546 D N 3.813 124.234 120.400 0.035 0.000 2.432 546 D HA 0.129 4.768 4.640 -0.002 0.000 0.265 546 D C -0.470 175.849 176.300 0.033 0.000 1.160 546 D CA -0.350 53.669 54.000 0.033 0.000 0.911 546 D CB 0.817 41.637 40.800 0.033 0.000 1.052 546 D HN 0.579 nan 8.370 nan 0.000 0.508 547 T N 0.000 114.573 114.554 0.032 0.000 3.816 547 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 547 T CA 0.000 62.119 62.100 0.032 0.000 1.349 547 T CB 0.000 68.887 68.868 0.032 0.000 0.612 547 T HN 0.000 nan 8.240 nan 0.000 0.658