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 1b82_1_A DATA FIRST_RESID -4 DATA SEQUENCE VIEKRATcSN GKTVGDAScc AWFDVLDDIQ QNLFHGGQcG AEAHESIRLV DATA SEQUENCE FHDSIAISPA MEAQGKFGGG GADGSIMIFD DIETAFHPNI GLDEIVKLQK DATA SEQUENCE PFVQKHGVTP GDFIAFAGAV ALSNcPGAPQ MNFFTGRAPA TQPAPDGLVP DATA SEQUENCE EPFHTVDQII NRVNDAGEFD ELELVWMLSA HSVAAVNDVD PTVQGLPFDS DATA SEQUENCE TPGIFDSQFF VETQLRGTAF PGSGGNQGEV ESPLPGEIRI QSDHTIARDS DATA SEQUENCE RTAcEWQSFV NNQSKLVDDF QFIFLALTQL GQDPNAMTDc SDVIPQSKPI DATA SEQUENCE PGNLPFSFFP AGKTIKDVEQ AcAETPFPTL TTLPGPETSV QRIPPPPGA 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 -4 V HA 0.000 nan 4.120 nan 0.000 0.244 -4 V C 0.000 176.103 176.094 0.014 0.000 1.182 -4 V CA 0.000 62.310 62.300 0.017 0.000 1.235 -4 V CB 0.000 31.836 31.823 0.021 0.000 1.184 -3 I N 4.654 125.232 120.570 0.013 0.000 2.322 -3 I HA 0.324 4.494 4.170 -0.000 0.000 0.292 -3 I C 0.626 176.749 176.117 0.009 0.000 1.060 -3 I CA 0.542 61.849 61.300 0.011 0.000 1.309 -3 I CB 0.685 38.692 38.000 0.012 0.000 1.415 -3 I HN 0.531 nan 8.210 nan 0.000 0.492 -2 E N 6.214 126.418 120.200 0.006 0.000 2.242 -2 E HA 0.321 4.671 4.350 -0.000 0.000 0.275 -2 E C -0.266 176.338 176.600 0.007 0.000 1.002 -2 E CA -0.928 55.473 56.400 0.002 0.000 0.841 -2 E CB 1.836 31.530 29.700 -0.009 0.000 1.109 -2 E HN 0.318 nan 8.360 nan 0.000 0.394 -1 K N 3.691 124.097 120.400 0.010 0.000 2.527 -1 K HA 0.178 4.498 4.320 -0.000 0.000 0.240 -1 K C -0.474 176.136 176.600 0.018 0.000 0.989 -1 K CA -0.559 55.737 56.287 0.015 0.000 0.985 -1 K CB 0.877 33.388 32.500 0.018 0.000 1.221 -1 K HN 0.401 nan 8.250 nan 0.000 0.458 0 R N 2.455 122.965 120.500 0.016 0.000 2.583 0 R HA 0.134 4.474 4.340 -0.000 0.000 0.274 0 R C -1.094 175.223 176.300 0.029 0.000 0.998 0 R CA 0.645 56.758 56.100 0.020 0.000 1.081 0 R CB 0.486 30.796 30.300 0.017 0.000 0.940 0 R HN 0.696 nan 8.270 nan 0.000 0.413 1 A N 2.864 125.709 122.820 0.041 0.000 2.606 1 A HA 0.448 4.768 4.320 -0.000 0.000 0.293 1 A C -1.192 176.426 177.584 0.058 0.000 1.082 1 A CA -0.754 51.311 52.037 0.046 0.000 0.685 1 A CB 2.080 21.112 19.000 0.053 0.000 1.284 1 A HN 0.631 nan 8.150 nan 0.000 0.408 2 T N 1.335 115.916 114.554 0.046 0.000 2.749 2 T HA 0.460 4.810 4.350 -0.000 0.000 0.287 2 T C 0.062 174.788 174.700 0.043 0.000 0.970 2 T CA -0.108 62.016 62.100 0.040 0.000 0.980 2 T CB 0.004 68.885 68.868 0.020 0.000 0.924 2 T HN 0.730 nan 8.240 nan 0.000 0.456 3 c N 2.313 120.944 118.600 0.051 0.000 2.563 3 c HA 0.227 4.797 4.570 -0.000 0.000 0.358 3 c C 2.578 176.663 174.090 -0.008 0.000 1.336 3 c CA -0.375 55.985 56.329 0.052 0.000 2.454 3 c CB 0.683 43.257 42.510 0.106 0.000 2.448 3 c HN 1.084 nan 8.230 nan 0.000 0.670 4 S N 0.973 116.673 115.700 -0.000 0.000 2.419 4 S HA -0.214 4.256 4.470 -0.000 0.000 0.235 4 S C 1.136 175.701 174.600 -0.058 0.000 1.019 4 S CA 1.864 60.053 58.200 -0.017 0.000 0.982 4 S CB -1.071 62.130 63.200 0.003 0.000 0.789 4 S HN 0.923 nan 8.310 nan 0.000 0.490 5 N N 0.389 119.014 118.700 -0.126 0.000 2.521 5 N HA 0.247 4.987 4.740 -0.000 0.000 0.188 5 N C 1.284 176.696 175.510 -0.162 0.000 1.146 5 N CA 0.353 53.295 53.050 -0.180 0.000 0.893 5 N CB -0.228 38.056 38.487 -0.338 0.000 0.975 5 N HN 0.581 nan 8.380 nan 0.000 0.451 6 G N 0.215 108.943 108.800 -0.120 0.000 2.175 6 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 6 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 6 G C -0.364 174.488 174.900 -0.080 0.000 0.982 6 G CA -0.186 44.866 45.100 -0.079 0.000 0.641 6 G HN 0.229 nan 8.290 nan 0.000 0.527 7 K N 1.195 121.517 120.400 -0.130 0.000 2.130 7 K HA 0.612 4.932 4.320 -0.000 0.000 0.268 7 K C 0.156 176.778 176.600 0.037 0.000 0.983 7 K CA -0.271 55.977 56.287 -0.065 0.000 0.893 7 K CB 1.359 33.777 32.500 -0.137 0.000 1.066 7 K HN 0.117 nan 8.250 nan 0.000 0.450 8 T N 1.649 116.242 114.554 0.065 0.000 2.845 8 T HA 0.423 4.773 4.350 -0.000 0.000 0.288 8 T C 0.222 174.993 174.700 0.119 0.000 0.980 8 T CA -0.674 61.474 62.100 0.079 0.000 1.071 8 T CB 0.828 69.725 68.868 0.048 0.000 0.941 8 T HN 0.399 nan 8.240 nan 0.000 0.487 9 V N 0.324 120.309 119.914 0.117 0.000 3.126 9 V HA 0.882 5.002 4.120 -0.000 0.000 0.314 9 V C 1.196 177.317 176.094 0.044 0.000 1.138 9 V CA -0.748 61.613 62.300 0.101 0.000 1.034 9 V CB 1.346 33.251 31.823 0.137 0.000 1.075 9 V HN 0.784 nan 8.190 nan 0.000 0.442 10 G N 0.137 108.937 108.800 0.001 0.000 2.484 10 G HA2 0.088 4.048 3.960 -0.000 0.000 0.218 10 G HA3 0.088 4.048 3.960 -0.000 0.000 0.218 10 G C 0.059 174.950 174.900 -0.014 0.000 1.130 10 G CA 1.237 46.324 45.100 -0.021 0.000 0.784 10 G HN 0.933 nan 8.290 nan 0.000 0.543 11 D N -2.893 117.503 120.400 -0.006 0.000 2.947 11 D HA 0.569 5.209 4.640 -0.000 0.000 0.224 11 D C 0.990 177.315 176.300 0.041 0.000 1.230 11 D CA -0.004 54.001 54.000 0.007 0.000 0.871 11 D CB 1.387 42.180 40.800 -0.012 0.000 1.671 11 D HN -0.049 nan 8.370 nan 0.000 0.507 12 A N 1.892 124.740 122.820 0.047 0.000 1.978 12 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 12 A C 1.985 179.618 177.584 0.082 0.000 1.170 12 A CA 2.222 54.298 52.037 0.065 0.000 0.636 12 A CB -0.853 18.177 19.000 0.050 0.000 0.810 12 A HN 0.651 nan 8.150 nan 0.000 0.448 13 S N -1.050 114.695 115.700 0.075 0.000 2.469 13 S HA -0.176 4.294 4.470 -0.000 0.000 0.238 13 S C 1.701 176.406 174.600 0.175 0.000 0.998 13 S CA 1.283 59.545 58.200 0.104 0.000 0.957 13 S CB -1.322 61.935 63.200 0.094 0.000 0.764 13 S HN 0.592 nan 8.310 nan 0.000 0.514 14 c N 0.928 119.620 118.600 0.154 0.000 2.448 14 c HA 0.070 4.640 4.570 -0.000 0.000 0.280 14 c C 2.904 177.117 174.090 0.205 0.000 1.398 14 c CA -0.127 56.318 56.329 0.193 0.000 1.774 14 c CB -1.942 40.596 42.510 0.047 0.000 1.888 14 c HN 0.743 nan 8.230 nan 0.000 0.519 15 c N 1.303 120.031 118.600 0.214 0.000 2.403 15 c HA -0.142 4.428 4.570 -0.000 0.000 0.277 15 c C 3.085 177.333 174.090 0.263 0.000 1.248 15 c CA 1.380 57.899 56.329 0.317 0.000 1.762 15 c CB -1.512 41.141 42.510 0.238 0.000 2.014 15 c HN 0.720 nan 8.230 nan 0.000 0.486 16 A N -0.754 122.140 122.820 0.122 0.000 1.972 16 A HA -0.186 4.133 4.320 -0.000 0.000 0.219 16 A C 1.769 179.271 177.584 -0.137 0.000 1.169 16 A CA 1.180 53.204 52.037 -0.022 0.000 0.635 16 A CB -0.809 18.094 19.000 -0.161 0.000 0.810 16 A HN 0.800 nan 8.150 nan 0.000 0.446 17 W N -1.455 119.758 121.300 -0.145 0.000 2.525 17 W HA 0.001 4.661 4.660 -0.000 0.000 0.259 17 W C 1.527 177.882 176.519 -0.274 0.000 1.253 17 W CA 0.236 57.358 57.345 -0.372 0.000 1.262 17 W CB -0.467 28.695 29.460 -0.496 0.000 1.122 17 W HN 0.362 nan 8.180 nan 0.000 0.607 18 F N 0.554 120.595 119.950 0.152 0.000 2.234 18 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 18 F C 2.037 177.888 175.800 0.084 0.000 1.087 18 F CA 1.361 59.442 58.000 0.135 0.000 1.340 18 F CB -0.688 38.375 39.000 0.106 0.000 1.031 18 F HN -0.100 nan 8.300 nan 0.000 0.500 19 D N -0.173 120.341 120.400 0.191 0.000 2.149 19 D HA -0.096 4.543 4.640 -0.000 0.000 0.201 19 D C 2.521 178.816 176.300 -0.007 0.000 0.972 19 D CA 1.171 55.249 54.000 0.130 0.000 0.835 19 D CB -0.532 40.359 40.800 0.152 0.000 0.966 19 D HN 0.134 nan 8.370 nan 0.000 0.476 20 V N 1.781 121.548 119.914 -0.245 0.000 2.287 20 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 20 V C 2.588 178.714 176.094 0.053 0.000 1.053 20 V CA 1.176 63.225 62.300 -0.418 0.000 1.027 20 V CB -0.609 30.904 31.823 -0.516 0.000 0.646 20 V HN 0.105 nan 8.190 nan 0.000 0.447 21 L N 0.635 122.017 121.223 0.266 0.000 1.990 21 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 21 L C 2.176 179.148 176.870 0.170 0.000 1.072 21 L CA 2.296 57.332 54.840 0.327 0.000 0.755 21 L CB -0.976 41.295 42.059 0.354 0.000 0.889 21 L HN 0.314 nan 8.230 nan 0.000 0.432 22 D N -0.674 119.828 120.400 0.170 0.000 2.144 22 D HA -0.193 4.447 4.640 -0.000 0.000 0.199 22 D C 1.817 178.186 176.300 0.114 0.000 0.984 22 D CA 1.368 55.449 54.000 0.135 0.000 0.834 22 D CB -0.218 40.664 40.800 0.136 0.000 0.955 22 D HN 0.474 nan 8.370 nan 0.000 0.465 23 D N 0.797 121.278 120.400 0.135 0.000 2.078 23 D HA -0.110 4.530 4.640 -0.000 0.000 0.193 23 D C 2.325 178.677 176.300 0.087 0.000 0.990 23 D CA 0.722 54.840 54.000 0.197 0.000 0.827 23 D CB -0.163 40.856 40.800 0.365 0.000 0.975 23 D HN 0.370 nan 8.370 nan 0.000 0.451 24 I N -1.267 119.238 120.570 -0.108 0.000 2.394 24 I HA -0.171 3.999 4.170 -0.000 0.000 0.251 24 I C 1.917 177.852 176.117 -0.303 0.000 1.136 24 I CA 0.889 61.906 61.300 -0.471 0.000 1.425 24 I CB -0.342 37.298 38.000 -0.599 0.000 1.079 24 I HN -0.085 nan 8.210 nan 0.000 0.425 25 Q N 1.787 121.561 119.800 -0.044 0.000 2.084 25 Q HA -0.235 4.104 4.340 -0.000 0.000 0.202 25 Q C 2.351 178.382 176.000 0.051 0.000 0.978 25 Q CA 2.477 58.328 55.803 0.080 0.000 0.844 25 Q CB -0.348 28.450 28.738 0.099 0.000 0.898 25 Q HN 0.852 nan 8.270 nan 0.000 0.426 26 Q N -0.492 119.326 119.800 0.030 0.000 2.123 26 Q HA -0.009 4.331 4.340 -0.000 0.000 0.196 26 Q C 1.160 177.146 176.000 -0.022 0.000 0.958 26 Q CA 0.998 56.817 55.803 0.027 0.000 0.841 26 Q CB -0.036 28.731 28.738 0.048 0.000 0.915 26 Q HN 0.220 nan 8.270 nan 0.000 0.455 27 N N -0.210 118.486 118.700 -0.006 0.000 2.282 27 N HA 0.075 4.815 4.740 -0.000 0.000 0.185 27 N C 1.109 176.609 175.510 -0.015 0.000 1.099 27 N CA 0.332 53.399 53.050 0.029 0.000 0.878 27 N CB 0.821 39.452 38.487 0.241 0.000 0.993 27 N HN 0.203 nan 8.380 nan 0.000 0.481 28 L N -1.140 119.939 121.223 -0.240 0.000 2.526 28 L HA 0.363 4.703 4.340 -0.000 0.000 0.210 28 L C 0.198 176.879 176.870 -0.316 0.000 1.048 28 L CA 0.967 55.566 54.840 -0.401 0.000 0.852 28 L CB 0.004 41.526 42.059 -0.896 0.000 1.128 28 L HN -0.211 nan 8.230 nan 0.000 0.482 29 F N 0.614 120.544 119.950 -0.033 0.000 2.668 29 F HA 0.352 4.879 4.527 -0.000 0.000 0.297 29 F C 0.384 176.270 175.800 0.144 0.000 1.124 29 F CA -0.903 57.131 58.000 0.056 0.000 1.353 29 F CB -1.060 37.925 39.000 -0.025 0.000 0.992 29 F HN 0.123 nan 8.300 nan 0.000 0.524 30 H N -0.263 118.877 119.070 0.116 0.000 2.626 30 H HA -0.179 4.377 4.556 -0.000 0.000 0.317 30 H C 1.529 176.900 175.328 0.073 0.000 1.140 30 H CA 0.680 56.776 56.048 0.080 0.000 1.134 30 H CB -1.358 28.443 29.762 0.065 0.000 1.486 30 H HN 0.606 nan 8.280 nan 0.000 0.417 31 G N -1.206 107.677 108.800 0.139 0.000 2.164 31 G HA2 0.040 4.000 3.960 -0.000 0.000 0.212 31 G HA3 0.040 4.000 3.960 -0.000 0.000 0.212 31 G C 0.890 175.851 174.900 0.102 0.000 1.031 31 G CA 0.738 45.902 45.100 0.106 0.000 0.730 31 G HN 1.597 nan 8.290 nan 0.000 0.501 32 G N -1.327 107.554 108.800 0.136 0.000 2.225 32 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.264 32 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.264 32 G C 0.188 175.102 174.900 0.023 0.000 1.060 32 G CA 0.958 46.107 45.100 0.082 0.000 0.833 32 G HN 1.126 nan 8.290 nan 0.000 0.498 33 Q N -1.381 118.451 119.800 0.054 0.000 2.221 33 Q HA 0.509 4.849 4.340 -0.000 0.000 0.242 33 Q C 0.664 176.581 176.000 -0.138 0.000 0.940 33 Q CA -0.316 55.475 55.803 -0.020 0.000 0.896 33 Q CB 1.917 30.663 28.738 0.013 0.000 1.226 33 Q HN 0.466 nan 8.270 nan 0.000 0.463 34 c N 2.637 121.147 118.600 -0.150 0.000 2.565 34 c HA 0.552 5.122 4.570 -0.000 0.000 0.451 34 c C 0.614 174.515 174.090 -0.315 0.000 1.301 34 c CA -0.413 55.794 56.329 -0.203 0.000 1.638 34 c CB -1.766 40.699 42.510 -0.075 0.000 2.236 34 c HN 0.832 nan 8.230 nan 0.000 0.603 35 G N 0.628 109.199 108.800 -0.381 0.000 2.857 35 G HA2 0.522 4.482 3.960 -0.000 0.000 0.217 35 G HA3 0.522 4.482 3.960 -0.000 0.000 0.217 35 G C 1.099 175.622 174.900 -0.629 0.000 1.357 35 G CA 0.376 45.222 45.100 -0.423 0.000 1.033 35 G HN 0.581 nan 8.290 nan 0.000 0.571 36 A N -0.513 122.141 122.820 -0.277 0.000 1.883 36 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 36 A C 2.106 179.682 177.584 -0.013 0.000 1.186 36 A CA 2.431 54.402 52.037 -0.109 0.000 0.624 36 A CB -0.663 18.331 19.000 -0.009 0.000 0.822 36 A HN 0.586 nan 8.150 nan 0.000 0.444 37 E N -0.049 120.202 120.200 0.085 0.000 2.153 37 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 37 E C 2.191 178.970 176.600 0.298 0.000 0.988 37 E CA 1.162 57.706 56.400 0.240 0.000 0.811 37 E CB -0.404 29.505 29.700 0.349 0.000 0.746 37 E HN 0.608 nan 8.360 nan 0.000 0.466 38 A N 0.535 123.397 122.820 0.069 0.000 1.877 38 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 38 A C 1.760 179.332 177.584 -0.021 0.000 1.186 38 A CA 1.824 53.702 52.037 -0.266 0.000 0.620 38 A CB -0.938 17.737 19.000 -0.542 0.000 0.822 38 A HN 0.392 nan 8.150 nan 0.000 0.443 39 H N -0.528 118.537 119.070 -0.008 0.000 2.319 39 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 39 H C 2.182 177.553 175.328 0.071 0.000 1.092 39 H CA 1.426 57.487 56.048 0.022 0.000 1.302 39 H CB -0.062 29.712 29.762 0.021 0.000 1.373 39 H HN 0.618 nan 8.280 nan 0.000 0.497 40 E N 0.536 120.865 120.200 0.215 0.000 2.085 40 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 40 E C 2.413 179.123 176.600 0.183 0.000 0.994 40 E CA 1.263 57.766 56.400 0.170 0.000 0.801 40 E CB 0.009 29.798 29.700 0.147 0.000 0.743 40 E HN 0.287 nan 8.360 nan 0.000 0.453 41 S N 0.602 116.430 115.700 0.213 0.000 2.382 41 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 41 S C 1.999 176.726 174.600 0.212 0.000 1.027 41 S CA 0.743 59.080 58.200 0.227 0.000 0.991 41 S CB -0.128 63.256 63.200 0.306 0.000 0.823 41 S HN 0.195 nan 8.310 nan 0.000 0.469 42 I N 1.116 121.802 120.570 0.193 0.000 2.202 42 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 42 I C 2.692 178.987 176.117 0.297 0.000 1.091 42 I CA 1.115 62.561 61.300 0.243 0.000 1.368 42 I CB -0.281 37.824 38.000 0.176 0.000 1.058 42 I HN 0.196 nan 8.210 nan 0.000 0.410 43 R N 0.980 121.635 120.500 0.258 0.000 2.091 43 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 43 R C 2.370 178.886 176.300 0.359 0.000 1.136 43 R CA 1.582 57.868 56.100 0.309 0.000 0.959 43 R CB -0.328 30.085 30.300 0.190 0.000 0.856 43 R HN 0.216 nan 8.270 nan 0.000 0.437 44 L N 0.663 122.031 121.223 0.242 0.000 2.079 44 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 44 L C 2.104 179.136 176.870 0.271 0.000 1.081 44 L CA 1.455 56.430 54.840 0.224 0.000 0.752 44 L CB -0.346 41.826 42.059 0.188 0.000 0.896 44 L HN 0.028 nan 8.230 nan 0.000 0.433 45 V N -0.686 119.393 119.914 0.274 0.000 2.287 45 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 45 V C 2.299 178.538 176.094 0.243 0.000 1.053 45 V CA 2.281 64.711 62.300 0.216 0.000 1.027 45 V CB -0.876 31.064 31.823 0.196 0.000 0.646 45 V HN 0.547 nan 8.190 nan 0.000 0.447 46 F N 0.356 120.414 119.950 0.180 0.000 2.186 46 F HA -0.135 4.392 4.527 0.000 0.000 0.299 46 F C 2.471 178.326 175.800 0.092 0.000 1.090 46 F CA 1.745 59.813 58.000 0.114 0.000 1.307 46 F CB -0.557 38.525 39.000 0.137 0.000 1.019 46 F HN 0.293 nan 8.300 nan 0.000 0.489 47 H N -1.420 117.659 119.070 0.014 0.000 2.462 47 H HA -0.107 4.449 4.556 -0.000 0.000 0.292 47 H C 1.502 176.807 175.328 -0.039 0.000 1.049 47 H CA 1.294 57.296 56.048 -0.077 0.000 1.334 47 H CB -0.054 29.750 29.762 0.070 0.000 1.404 47 H HN 0.323 nan 8.280 nan 0.000 0.544 48 D N 0.354 120.834 120.400 0.133 0.000 2.110 48 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 48 D C 2.150 178.464 176.300 0.024 0.000 0.975 48 D CA 1.103 55.162 54.000 0.098 0.000 0.839 48 D CB 0.169 41.044 40.800 0.125 0.000 0.996 48 D HN 0.061 nan 8.370 nan 0.000 0.464 49 S N -0.210 115.483 115.700 -0.012 0.000 2.387 49 S HA -0.055 4.415 4.470 -0.000 0.000 0.226 49 S C 1.837 176.384 174.600 -0.089 0.000 1.026 49 S CA 0.214 58.392 58.200 -0.036 0.000 0.972 49 S CB -0.064 63.128 63.200 -0.015 0.000 0.814 49 S HN 0.248 nan 8.310 nan 0.000 0.477 50 I N 1.986 122.414 120.570 -0.237 0.000 3.001 50 I HA 0.128 4.298 4.170 -0.000 0.000 0.268 50 I C 1.116 177.123 176.117 -0.184 0.000 1.267 50 I CA -0.253 60.895 61.300 -0.252 0.000 1.472 50 I CB -0.548 37.069 38.000 -0.638 0.000 1.089 50 I HN 0.153 nan 8.210 nan 0.000 0.468 51 A N 1.808 124.537 122.820 -0.151 0.000 3.026 51 A HA 0.432 4.752 4.320 -0.000 0.000 0.272 51 A C 0.137 177.656 177.584 -0.107 0.000 1.782 51 A CA -0.013 51.967 52.037 -0.095 0.000 1.451 51 A CB -0.937 18.051 19.000 -0.019 0.000 1.081 51 A HN 0.362 nan 8.150 nan 0.000 0.611 52 I N 0.233 120.728 120.570 -0.125 0.000 2.722 52 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 52 I C -0.957 175.077 176.117 -0.139 0.000 1.267 52 I CA -0.180 61.028 61.300 -0.153 0.000 1.036 52 I CB 2.145 40.074 38.000 -0.118 0.000 1.281 52 I HN 0.156 nan 8.210 nan 0.000 0.423 53 S N 7.587 123.189 115.700 -0.163 0.000 2.571 53 S HA 0.489 4.959 4.470 -0.000 0.000 0.238 53 S C -2.375 172.156 174.600 -0.114 0.000 1.153 53 S CA -1.042 57.082 58.200 -0.126 0.000 1.141 53 S CB 1.270 64.397 63.200 -0.122 0.000 1.133 53 S HN 0.500 nan 8.310 nan 0.000 0.464 54 P HA -0.073 nan 4.420 nan 0.000 0.216 54 P C 1.533 178.796 177.300 -0.062 0.000 1.150 54 P CA 1.517 64.571 63.100 -0.077 0.000 0.837 54 P CB 0.131 31.786 31.700 -0.075 0.000 0.786 55 A N -0.830 121.954 122.820 -0.061 0.000 1.883 55 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 55 A C 2.249 179.805 177.584 -0.046 0.000 1.186 55 A CA 2.211 54.219 52.037 -0.049 0.000 0.624 55 A CB -1.504 17.468 19.000 -0.046 0.000 0.822 55 A HN 0.115 nan 8.150 nan 0.000 0.444 56 M N -0.977 118.588 119.600 -0.059 0.000 2.086 56 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 56 M C 2.100 178.376 176.300 -0.039 0.000 1.067 56 M CA 1.404 56.672 55.300 -0.053 0.000 1.116 56 M CB -0.473 32.081 32.600 -0.077 0.000 1.348 56 M HN 0.349 nan 8.290 nan 0.000 0.407 57 E N 0.577 120.747 120.200 -0.050 0.000 2.097 57 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 57 E C 2.022 178.616 176.600 -0.011 0.000 1.000 57 E CA 1.646 58.032 56.400 -0.022 0.000 0.804 57 E CB -0.491 29.192 29.700 -0.030 0.000 0.740 57 E HN 0.527 nan 8.360 nan 0.000 0.454 58 A N 0.790 123.598 122.820 -0.021 0.000 2.070 58 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 58 A C 1.901 179.479 177.584 -0.011 0.000 1.159 58 A CA 1.140 53.168 52.037 -0.016 0.000 0.656 58 A CB -0.297 18.690 19.000 -0.021 0.000 0.800 58 A HN 0.193 nan 8.150 nan 0.000 0.453 59 Q N -1.784 118.010 119.800 -0.011 0.000 2.360 59 Q HA 0.302 4.642 4.340 -0.000 0.000 0.202 59 Q C 0.987 176.989 176.000 0.002 0.000 0.915 59 Q CA 0.369 56.168 55.803 -0.006 0.000 0.943 59 Q CB 0.302 29.034 28.738 -0.010 0.000 1.064 59 Q HN 0.824 nan 8.270 nan 0.000 0.511 60 G N 1.157 109.963 108.800 0.009 0.000 2.141 60 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 60 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 60 G C -0.173 174.747 174.900 0.034 0.000 0.982 60 G CA -0.126 44.985 45.100 0.019 0.000 0.662 60 G HN 0.177 nan 8.290 nan 0.000 0.527 61 K N -0.504 119.917 120.400 0.035 0.000 2.203 61 K HA 0.573 4.893 4.320 -0.000 0.000 0.251 61 K C -0.456 176.205 176.600 0.102 0.000 0.944 61 K CA -1.133 55.191 56.287 0.061 0.000 0.829 61 K CB 1.761 34.282 32.500 0.034 0.000 1.125 61 K HN 0.064 nan 8.250 nan 0.000 0.430 62 F N 1.206 121.146 119.950 -0.016 0.000 2.578 62 F HA 0.134 4.661 4.527 0.000 0.000 0.381 62 F C 1.006 176.797 175.800 -0.015 0.000 1.069 62 F CA 0.189 58.180 58.000 -0.015 0.000 1.231 62 F CB 0.672 39.660 39.000 -0.019 0.000 1.086 62 F HN 0.704 nan 8.300 nan 0.000 0.564 63 G N 3.225 111.702 108.800 -0.538 0.000 3.126 63 G HA2 0.448 4.408 3.960 -0.000 0.000 0.224 63 G HA3 0.448 4.408 3.960 -0.000 0.000 0.224 63 G C 0.416 174.916 174.900 -0.667 0.000 1.142 63 G CA 0.194 45.016 45.100 -0.464 0.000 0.759 63 G HN 1.401 nan 8.290 nan 0.000 0.550 64 G N -1.792 106.161 108.800 -1.413 0.000 2.587 64 G HA2 0.342 4.302 3.960 -0.000 0.000 0.686 64 G HA3 0.342 4.302 3.960 -0.000 0.000 0.686 64 G C 0.536 175.140 174.900 -0.493 0.000 1.236 64 G CA -0.242 44.321 45.100 -0.895 0.000 0.820 64 G HN 0.908 nan 8.290 nan 0.000 0.645 65 G N -0.149 108.614 108.800 -0.061 0.000 3.284 65 G HA2 0.637 4.597 3.960 -0.000 0.000 0.236 65 G HA3 0.637 4.597 3.960 -0.000 0.000 0.236 65 G C 1.594 176.507 174.900 0.022 0.000 1.158 65 G CA 1.613 46.749 45.100 0.059 0.000 0.774 65 G HN 2.599 nan 8.290 nan 0.000 0.545 66 G N 0.323 109.112 108.800 -0.020 0.000 2.531 66 G HA2 0.098 4.058 3.960 -0.000 0.000 0.274 66 G HA3 0.098 4.058 3.960 -0.000 0.000 0.274 66 G C 0.751 175.663 174.900 0.020 0.000 1.159 66 G CA 0.190 45.279 45.100 -0.017 0.000 0.969 66 G HN 1.400 nan 8.290 nan 0.000 0.554 67 A N 1.264 124.094 122.820 0.018 0.000 2.990 67 A HA 0.529 4.848 4.320 -0.000 0.000 0.282 67 A C 0.915 178.540 177.584 0.070 0.000 1.688 67 A CA 1.223 53.282 52.037 0.038 0.000 1.391 67 A CB -0.502 18.502 19.000 0.005 0.000 1.112 67 A HN 1.184 nan 8.150 nan 0.000 0.588 68 D N 0.132 120.593 120.400 0.100 0.000 2.500 68 D HA 0.217 4.857 4.640 -0.000 0.000 0.217 68 D C 0.961 177.348 176.300 0.145 0.000 1.159 68 D CA 0.487 54.562 54.000 0.126 0.000 0.828 68 D CB -0.448 40.440 40.800 0.146 0.000 1.039 68 D HN 0.902 nan 8.370 nan 0.000 0.512 69 G N 1.033 109.922 108.800 0.147 0.000 2.153 69 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.252 69 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.252 69 G C 1.213 176.198 174.900 0.142 0.000 0.994 69 G CA 1.097 46.287 45.100 0.150 0.000 0.698 69 G HN 0.721 nan 8.290 nan 0.000 0.521 70 S N -0.380 115.434 115.700 0.190 0.000 2.382 70 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 70 S C 2.244 176.987 174.600 0.239 0.000 1.027 70 S CA 1.388 59.762 58.200 0.290 0.000 0.991 70 S CB -0.199 63.220 63.200 0.366 0.000 0.823 70 S HN 0.908 nan 8.310 nan 0.000 0.469 71 I N 0.359 121.032 120.570 0.172 0.000 2.567 71 I HA -0.118 4.051 4.170 -0.000 0.000 0.257 71 I C 2.415 178.584 176.117 0.087 0.000 1.184 71 I CA 1.397 62.772 61.300 0.125 0.000 1.451 71 I CB -0.095 37.981 38.000 0.127 0.000 1.089 71 I HN 0.464 nan 8.210 nan 0.000 0.441 72 M N -0.167 119.479 119.600 0.076 0.000 2.412 72 M HA -0.017 4.463 4.480 -0.000 0.000 0.263 72 M C 2.080 178.348 176.300 -0.053 0.000 1.122 72 M CA 1.408 56.730 55.300 0.035 0.000 1.179 72 M CB 0.049 32.688 32.600 0.065 0.000 1.335 72 M HN 0.086 nan 8.290 nan 0.000 0.465 73 I N 0.154 120.648 120.570 -0.127 0.000 2.142 73 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 73 I C 0.521 176.291 176.117 -0.578 0.000 1.078 73 I CA 1.329 62.389 61.300 -0.400 0.000 1.343 73 I CB -0.259 37.395 38.000 -0.577 0.000 1.046 73 I HN 0.188 nan 8.210 nan 0.000 0.405 74 F N 1.840 121.802 119.950 0.020 0.000 2.987 74 F HA 0.070 4.597 4.527 -0.000 0.000 0.302 74 F C 1.538 177.317 175.800 -0.034 0.000 1.221 74 F CA -0.839 57.161 58.000 -0.001 0.000 1.307 74 F CB -0.740 38.267 39.000 0.012 0.000 1.108 74 F HN 0.154 nan 8.300 nan 0.000 0.521 75 D N 0.198 120.621 120.400 0.037 0.000 2.149 75 D HA -0.252 4.388 4.640 -0.000 0.000 0.198 75 D C 1.475 177.769 176.300 -0.010 0.000 0.990 75 D CA 1.697 55.703 54.000 0.009 0.000 0.839 75 D CB -0.429 40.372 40.800 0.001 0.000 0.948 75 D HN 0.401 nan 8.370 nan 0.000 0.460 76 D N 1.153 121.560 120.400 0.013 0.000 2.178 76 D HA -0.175 4.465 4.640 -0.000 0.000 0.201 76 D C 2.346 178.633 176.300 -0.021 0.000 0.980 76 D CA 0.651 54.655 54.000 0.007 0.000 0.842 76 D CB -0.570 40.248 40.800 0.030 0.000 0.948 76 D HN 0.393 nan 8.370 nan 0.000 0.472 77 I N 0.590 121.144 120.570 -0.026 0.000 2.272 77 I HA -0.130 4.040 4.170 -0.000 0.000 0.235 77 I C 2.622 178.423 176.117 -0.526 0.000 1.071 77 I CA 0.706 61.927 61.300 -0.131 0.000 1.374 77 I CB -0.266 37.719 38.000 -0.024 0.000 1.121 77 I HN -0.132 nan 8.210 nan 0.000 0.420 78 E N 0.570 120.452 120.200 -0.531 0.000 2.110 78 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 78 E C 1.979 178.229 176.600 -0.583 0.000 0.988 78 E CA 2.012 57.881 56.400 -0.884 0.000 0.804 78 E CB -0.236 29.309 29.700 -0.259 0.000 0.745 78 E HN 0.575 nan 8.360 nan 0.000 0.458 79 T N -1.741 112.663 114.554 -0.250 0.000 3.163 79 T HA 0.156 4.506 4.350 -0.000 0.000 0.260 79 T C 1.611 176.273 174.700 -0.063 0.000 1.156 79 T CA 0.651 62.690 62.100 -0.102 0.000 1.072 79 T CB 0.228 69.074 68.868 -0.037 0.000 0.937 79 T HN 0.111 nan 8.240 nan 0.000 0.528 80 A N 0.378 123.130 122.820 -0.112 0.000 2.195 80 A HA 0.460 4.780 4.320 -0.000 0.000 0.210 80 A C 0.287 177.998 177.584 0.211 0.000 1.165 80 A CA -0.453 51.604 52.037 0.034 0.000 0.806 80 A CB -0.331 18.692 19.000 0.040 0.000 0.847 80 A HN 0.448 nan 8.150 nan 0.000 0.482 81 F N 0.035 120.052 119.950 0.112 0.000 2.529 81 F HA 0.137 4.664 4.527 -0.000 0.000 0.365 81 F C 1.740 177.633 175.800 0.155 0.000 1.102 81 F CA -0.749 57.333 58.000 0.137 0.000 1.271 81 F CB -0.065 39.011 39.000 0.127 0.000 1.120 81 F HN 0.347 nan 8.300 nan 0.000 0.579 82 H N 4.196 123.447 119.070 0.301 0.000 2.352 82 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 82 H C -0.974 174.486 175.328 0.220 0.000 1.097 82 H CA 1.835 58.018 56.048 0.225 0.000 1.311 82 H CB -0.633 29.255 29.762 0.210 0.000 1.377 82 H HN 0.305 nan 8.280 nan 0.000 0.504 83 P HA -0.083 nan 4.420 nan 0.000 0.221 83 P C 0.683 178.129 177.300 0.243 0.000 1.145 83 P CA 1.219 64.430 63.100 0.185 0.000 0.795 83 P CB -0.020 31.797 31.700 0.196 0.000 0.775 84 N N -0.784 118.050 118.700 0.224 0.000 2.276 84 N HA 0.086 4.826 4.740 -0.000 0.000 0.212 84 N C 0.569 176.090 175.510 0.019 0.000 1.127 84 N CA -0.348 52.795 53.050 0.156 0.000 0.834 84 N CB -0.260 38.333 38.487 0.177 0.000 1.014 84 N HN 0.237 nan 8.380 nan 0.000 0.491 85 I N 0.470 121.023 120.570 -0.029 0.000 2.919 85 I HA -0.082 4.088 4.170 -0.000 0.000 0.303 85 I C 1.297 177.390 176.117 -0.040 0.000 1.221 85 I CA 1.127 62.392 61.300 -0.058 0.000 1.444 85 I CB 0.287 38.192 38.000 -0.157 0.000 1.331 85 I HN 0.457 nan 8.210 nan 0.000 0.572 86 G N 5.568 114.357 108.800 -0.017 0.000 2.184 86 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.264 86 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.264 86 G C 0.660 175.555 174.900 -0.008 0.000 0.975 86 G CA 0.492 45.587 45.100 -0.007 0.000 0.642 86 G HN 0.605 nan 8.290 nan 0.000 0.536 87 L N 0.086 121.295 121.223 -0.023 0.000 2.558 87 L HA 0.175 4.515 4.340 -0.000 0.000 0.225 87 L C 2.197 179.076 176.870 0.016 0.000 1.128 87 L CA 0.805 55.634 54.840 -0.017 0.000 0.868 87 L CB 0.029 42.054 42.059 -0.057 0.000 1.006 87 L HN 0.161 nan 8.230 nan 0.000 0.454 88 D N 0.439 120.847 120.400 0.014 0.000 2.224 88 D HA -0.212 4.428 4.640 -0.000 0.000 0.205 88 D C 2.047 178.366 176.300 0.032 0.000 0.965 88 D CA 0.746 54.758 54.000 0.020 0.000 0.852 88 D CB 0.306 41.114 40.800 0.013 0.000 0.947 88 D HN 0.223 nan 8.370 nan 0.000 0.494 89 E N 0.251 120.472 120.200 0.035 0.000 2.038 89 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 89 E C 2.147 178.787 176.600 0.066 0.000 1.000 89 E CA 0.883 57.310 56.400 0.046 0.000 0.803 89 E CB -0.306 29.421 29.700 0.046 0.000 0.750 89 E HN 0.338 nan 8.360 nan 0.000 0.448 90 I N 0.633 121.250 120.570 0.078 0.000 2.439 90 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 90 I C 2.287 178.475 176.117 0.120 0.000 1.139 90 I CA 0.688 62.055 61.300 0.112 0.000 1.438 90 I CB -0.140 37.937 38.000 0.128 0.000 1.085 90 I HN -0.045 nan 8.210 nan 0.000 0.427 91 V N 0.901 120.871 119.914 0.094 0.000 2.332 91 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 91 V C 2.497 178.634 176.094 0.070 0.000 1.055 91 V CA 2.080 64.434 62.300 0.091 0.000 1.038 91 V CB -0.821 31.040 31.823 0.063 0.000 0.651 91 V HN 0.411 nan 8.190 nan 0.000 0.450 92 K N -0.376 120.055 120.400 0.051 0.000 2.148 92 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 92 K C 2.014 178.640 176.600 0.043 0.000 1.050 92 K CA 1.091 57.396 56.287 0.030 0.000 0.942 92 K CB -0.196 32.316 32.500 0.021 0.000 0.724 92 K HN 0.385 nan 8.250 nan 0.000 0.446 93 L N 0.700 121.974 121.223 0.086 0.000 2.217 93 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 93 L C 2.368 179.376 176.870 0.230 0.000 1.107 93 L CA 1.026 55.944 54.840 0.129 0.000 0.783 93 L CB -0.188 41.960 42.059 0.149 0.000 0.919 93 L HN 0.230 nan 8.230 nan 0.000 0.442 94 Q N -0.234 119.695 119.800 0.214 0.000 2.163 94 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 94 Q C 2.069 178.100 176.000 0.052 0.000 0.954 94 Q CA 0.643 56.609 55.803 0.273 0.000 0.851 94 Q CB 0.175 29.100 28.738 0.312 0.000 0.928 94 Q HN 0.370 nan 8.270 nan 0.000 0.459 95 K N 0.459 120.854 120.400 -0.009 0.000 2.052 95 K HA -0.212 4.108 4.320 -0.000 0.000 0.215 95 K C -0.861 175.640 176.600 -0.165 0.000 1.053 95 K CA 2.039 58.270 56.287 -0.092 0.000 0.934 95 K CB -0.942 31.519 32.500 -0.064 0.000 0.717 95 K HN 0.193 nan 8.250 nan 0.000 0.450 96 P HA -0.173 nan 4.420 nan 0.000 0.215 96 P C 1.168 178.245 177.300 -0.371 0.000 1.153 96 P CA 1.516 64.424 63.100 -0.319 0.000 0.853 96 P CB -0.158 31.284 31.700 -0.429 0.000 0.788 97 F N -0.482 119.333 119.950 -0.225 0.000 2.171 97 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 97 F C 2.526 178.158 175.800 -0.280 0.000 1.090 97 F CA 0.975 58.859 58.000 -0.193 0.000 1.293 97 F CB -1.672 37.163 39.000 -0.276 0.000 1.013 97 F HN -0.266 nan 8.300 nan 0.000 0.486 98 V N -0.163 119.551 119.914 -0.333 0.000 2.237 98 V HA -0.324 3.796 4.120 -0.000 0.000 0.245 98 V C 2.282 178.306 176.094 -0.116 0.000 1.046 98 V CA 2.051 64.197 62.300 -0.257 0.000 1.007 98 V CB -0.851 30.828 31.823 -0.242 0.000 0.638 98 V HN 0.309 nan 8.190 nan 0.000 0.445 99 Q N -0.201 119.517 119.800 -0.136 0.000 2.096 99 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 99 Q C 2.369 178.287 176.000 -0.137 0.000 0.982 99 Q CA 2.065 57.796 55.803 -0.121 0.000 0.850 99 Q CB -0.297 28.364 28.738 -0.128 0.000 0.901 99 Q HN 0.587 nan 8.270 nan 0.000 0.422 100 K N -0.161 120.131 120.400 -0.179 0.000 2.097 100 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 100 K C 1.539 177.929 176.600 -0.349 0.000 1.049 100 K CA 1.252 57.375 56.287 -0.273 0.000 0.933 100 K CB 0.076 32.362 32.500 -0.356 0.000 0.717 100 K HN 0.367 nan 8.250 nan 0.000 0.442 101 H N -1.287 117.716 119.070 -0.112 0.000 2.563 101 H HA 0.106 4.662 4.556 -0.000 0.000 0.264 101 H C 0.854 176.082 175.328 -0.166 0.000 0.957 101 H CA 0.845 56.809 56.048 -0.140 0.000 1.173 101 H CB 0.847 30.509 29.762 -0.166 0.000 1.420 101 H HN 0.538 nan 8.280 nan 0.000 0.551 102 G N 1.818 110.589 108.800 -0.049 0.000 2.221 102 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.265 102 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.265 102 G C 0.533 175.402 174.900 -0.051 0.000 1.041 102 G CA 0.560 45.627 45.100 -0.055 0.000 0.807 102 G HN 0.399 nan 8.290 nan 0.000 0.502 103 V N -2.237 117.647 119.914 -0.051 0.000 2.973 103 V HA 0.934 5.054 4.120 -0.000 0.000 0.314 103 V C 0.946 177.121 176.094 0.134 0.000 1.066 103 V CA -0.107 62.196 62.300 0.005 0.000 1.021 103 V CB 1.404 33.134 31.823 -0.154 0.000 1.076 103 V HN 1.165 nan 8.190 nan 0.000 0.462 104 T N -0.516 114.177 114.554 0.231 0.000 2.899 104 T HA 0.399 4.749 4.350 -0.000 0.000 0.295 104 T C -1.704 173.154 174.700 0.264 0.000 1.033 104 T CA -1.104 61.115 62.100 0.199 0.000 1.084 104 T CB 1.071 70.050 68.868 0.185 0.000 0.979 104 T HN 0.605 nan 8.240 nan 0.000 0.532 105 P HA 0.041 nan 4.420 nan 0.000 0.216 105 P C 1.841 179.312 177.300 0.285 0.000 1.153 105 P CA 1.243 64.470 63.100 0.212 0.000 0.848 105 P CB -0.383 31.381 31.700 0.107 0.000 0.787 106 G N -0.096 108.841 108.800 0.229 0.000 2.421 106 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 106 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 106 G C 1.222 176.281 174.900 0.265 0.000 1.171 106 G CA 0.995 46.224 45.100 0.216 0.000 0.775 106 G HN 0.169 nan 8.290 nan 0.000 0.543 107 D N -0.254 120.338 120.400 0.320 0.000 2.144 107 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 107 D C 1.919 178.516 176.300 0.494 0.000 0.978 107 D CA 0.330 54.560 54.000 0.384 0.000 0.833 107 D CB -0.329 40.747 40.800 0.461 0.000 0.961 107 D HN 0.301 nan 8.370 nan 0.000 0.470 108 F N 1.153 121.378 119.950 0.458 0.000 2.134 108 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 108 F C 2.105 178.102 175.800 0.328 0.000 1.097 108 F CA 1.023 59.296 58.000 0.456 0.000 1.264 108 F CB -0.140 39.060 39.000 0.333 0.000 1.001 108 F HN -0.132 nan 8.300 nan 0.000 0.479 109 I N 0.082 120.872 120.570 0.365 0.000 2.226 109 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 109 I C 2.673 178.868 176.117 0.130 0.000 1.100 109 I CA 1.238 62.678 61.300 0.233 0.000 1.374 109 I CB -0.884 37.268 38.000 0.253 0.000 1.057 109 I HN 0.228 nan 8.210 nan 0.000 0.413 110 A N 0.463 123.385 122.820 0.170 0.000 1.933 110 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 110 A C 2.214 179.877 177.584 0.132 0.000 1.175 110 A CA 1.433 53.575 52.037 0.174 0.000 0.628 110 A CB -0.906 18.224 19.000 0.216 0.000 0.814 110 A HN 0.445 nan 8.150 nan 0.000 0.444 111 F N 0.969 120.752 119.950 -0.278 0.000 2.113 111 F HA -0.029 4.498 4.527 0.000 0.000 0.297 111 F C 2.524 178.029 175.800 -0.491 0.000 1.103 111 F CA 1.107 58.616 58.000 -0.819 0.000 1.248 111 F CB -0.556 37.766 39.000 -1.131 0.000 0.999 111 F HN 0.238 nan 8.300 nan 0.000 0.475 112 A N 0.210 122.760 122.820 -0.450 0.000 1.933 112 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 112 A C 2.499 180.024 177.584 -0.098 0.000 1.175 112 A CA 1.631 53.474 52.037 -0.324 0.000 0.628 112 A CB -1.803 17.013 19.000 -0.307 0.000 0.814 112 A HN 0.511 nan 8.150 nan 0.000 0.444 113 G N -0.461 108.337 108.800 -0.003 0.000 2.421 113 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.216 113 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.216 113 G C 1.748 176.616 174.900 -0.053 0.000 1.171 113 G CA 1.497 46.669 45.100 0.120 0.000 0.775 113 G HN 0.796 nan 8.290 nan 0.000 0.543 114 A N -0.002 122.771 122.820 -0.079 0.000 1.898 114 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 114 A C 2.606 179.952 177.584 -0.397 0.000 1.181 114 A CA 1.783 53.655 52.037 -0.275 0.000 0.620 114 A CB -0.579 18.349 19.000 -0.121 0.000 0.819 114 A HN 0.255 nan 8.150 nan 0.000 0.442 115 V N -0.045 119.567 119.914 -0.504 0.000 2.358 115 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 115 V C 3.064 178.886 176.094 -0.453 0.000 1.047 115 V CA 1.806 63.821 62.300 -0.475 0.000 1.035 115 V CB -1.324 30.169 31.823 -0.551 0.000 0.658 115 V HN 0.614 nan 8.190 nan 0.000 0.452 116 A N -0.055 122.437 122.820 -0.546 0.000 1.873 116 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 116 A C 2.239 179.543 177.584 -0.465 0.000 1.193 116 A CA 2.249 53.825 52.037 -0.769 0.000 0.629 116 A CB -0.699 17.977 19.000 -0.541 0.000 0.826 116 A HN 0.495 nan 8.150 nan 0.000 0.447 117 L N 0.347 121.348 121.223 -0.370 0.000 2.083 117 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 117 L C 2.979 179.666 176.870 -0.306 0.000 1.083 117 L CA 1.576 56.213 54.840 -0.339 0.000 0.752 117 L CB -0.391 41.399 42.059 -0.448 0.000 0.899 117 L HN 0.643 nan 8.230 nan 0.000 0.433 118 S N -0.930 114.589 115.700 -0.302 0.000 2.469 118 S HA -0.184 4.286 4.470 -0.000 0.000 0.238 118 S C 1.441 175.933 174.600 -0.181 0.000 0.998 118 S CA 1.455 59.520 58.200 -0.225 0.000 0.957 118 S CB -0.737 62.338 63.200 -0.208 0.000 0.764 118 S HN 0.545 nan 8.310 nan 0.000 0.514 119 N N -0.053 118.517 118.700 -0.217 0.000 2.463 119 N HA 0.128 4.868 4.740 -0.000 0.000 0.181 119 N C -0.527 174.912 175.510 -0.117 0.000 1.078 119 N CA 0.252 53.200 53.050 -0.169 0.000 0.902 119 N CB 0.012 38.351 38.487 -0.247 0.000 0.970 119 N HN 0.368 nan 8.380 nan 0.000 0.451 120 c N 2.575 121.109 118.600 -0.111 0.000 2.265 120 c HA 0.341 4.911 4.570 -0.000 0.000 0.332 120 c C -2.151 171.939 174.090 -0.000 0.000 1.248 120 c CA -1.922 54.386 56.329 -0.035 0.000 1.727 120 c CB 0.455 42.962 42.510 -0.004 0.000 2.348 120 c HN 0.178 nan 8.230 nan 0.000 0.519 121 P HA 0.213 nan 4.420 nan 0.000 0.264 121 P C 0.990 178.352 177.300 0.104 0.000 1.183 121 P CA 1.804 64.932 63.100 0.046 0.000 0.763 121 P CB 0.304 32.033 31.700 0.049 0.000 0.807 122 G N 1.440 110.303 108.800 0.105 0.000 2.213 122 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.236 122 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.236 122 G C 0.469 175.487 174.900 0.197 0.000 0.991 122 G CA -0.008 45.205 45.100 0.188 0.000 0.629 122 G HN 0.844 nan 8.290 nan 0.000 0.517 123 A N 1.121 123.960 122.820 0.031 0.000 2.406 123 A HA 0.665 4.985 4.320 -0.000 0.000 0.243 123 A C -1.224 176.241 177.584 -0.198 0.000 1.082 123 A CA -0.220 51.656 52.037 -0.268 0.000 0.786 123 A CB 0.093 18.882 19.000 -0.353 0.000 1.029 123 A HN 0.240 nan 8.150 nan 0.000 0.495 124 P HA 0.110 nan 4.420 nan 0.000 0.271 124 P C -0.778 176.438 177.300 -0.141 0.000 1.233 124 P CA -0.222 62.793 63.100 -0.142 0.000 0.789 124 P CB 0.321 31.946 31.700 -0.125 0.000 0.951 125 Q N 1.369 121.119 119.800 -0.083 0.000 2.307 125 Q HA 0.212 4.552 4.340 -0.000 0.000 0.261 125 Q C -0.052 175.902 176.000 -0.077 0.000 1.051 125 Q CA 0.348 56.108 55.803 -0.072 0.000 0.911 125 Q CB 0.108 28.825 28.738 -0.035 0.000 1.227 125 Q HN 0.378 nan 8.270 nan 0.000 0.418 126 M N 1.937 121.471 119.600 -0.111 0.000 2.288 126 M HA 0.256 4.736 4.480 -0.000 0.000 0.334 126 M C 0.146 176.450 176.300 0.006 0.000 1.150 126 M CA -0.469 54.767 55.300 -0.107 0.000 1.118 126 M CB 0.288 32.747 32.600 -0.234 0.000 1.501 126 M HN 0.378 nan 8.290 nan 0.000 0.462 127 N N 0.706 119.471 118.700 0.108 0.000 2.482 127 N HA 0.640 5.380 4.740 -0.000 0.000 0.279 127 N C -1.477 174.218 175.510 0.308 0.000 1.182 127 N CA -0.338 52.827 53.050 0.192 0.000 0.969 127 N CB 1.302 39.968 38.487 0.299 0.000 1.201 127 N HN 0.484 nan 8.380 nan 0.000 0.523 128 F N 1.799 121.777 119.950 0.046 0.000 2.787 128 F HA 0.478 5.005 4.527 -0.000 0.000 0.340 128 F C -2.144 173.592 175.800 -0.106 0.000 1.232 128 F CA -0.961 57.042 58.000 0.005 0.000 1.051 128 F CB 0.327 39.284 39.000 -0.071 0.000 1.330 128 F HN 0.297 nan 8.300 nan 0.000 0.522 129 F N 2.944 122.496 119.950 -0.663 0.000 2.492 129 F HA 0.695 5.222 4.527 -0.000 0.000 0.327 129 F C 0.578 175.830 175.800 -0.914 0.000 1.079 129 F CA -0.508 57.084 58.000 -0.681 0.000 0.967 129 F CB 2.260 41.066 39.000 -0.325 0.000 1.169 129 F HN 0.517 nan 8.300 nan 0.000 0.472 130 T N -1.869 112.337 114.554 -0.581 0.000 2.949 130 T HA 0.720 5.070 4.350 -0.000 0.000 0.287 130 T C 0.436 175.072 174.700 -0.105 0.000 1.034 130 T CA -0.240 61.623 62.100 -0.395 0.000 1.018 130 T CB 1.667 70.342 68.868 -0.322 0.000 1.135 130 T HN 1.147 nan 8.240 nan 0.000 0.532 131 G N 0.604 109.401 108.800 -0.005 0.000 2.234 131 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.153 131 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.153 131 G C -0.099 174.830 174.900 0.049 0.000 1.013 131 G CA -0.817 44.300 45.100 0.029 0.000 0.712 131 G HN 0.840 nan 8.290 nan 0.000 0.491 132 R N 1.065 121.608 120.500 0.072 0.000 2.210 132 R HA 0.643 4.983 4.340 -0.000 0.000 0.338 132 R C 0.782 177.141 176.300 0.099 0.000 1.062 132 R CA 0.376 56.525 56.100 0.081 0.000 0.902 132 R CB 1.264 31.622 30.300 0.095 0.000 1.050 132 R HN 0.406 nan 8.270 nan 0.000 0.461 133 A N 5.284 128.154 122.820 0.083 0.000 2.386 133 A HA 0.328 4.648 4.320 -0.000 0.000 0.248 133 A C -1.997 175.644 177.584 0.095 0.000 1.082 133 A CA -1.361 50.726 52.037 0.083 0.000 0.789 133 A CB -0.135 18.906 19.000 0.069 0.000 1.025 133 A HN 0.429 nan 8.150 nan 0.000 0.490 134 P HA 0.291 nan 4.420 nan 0.000 0.268 134 P C -0.141 177.228 177.300 0.116 0.000 1.204 134 P CA 0.288 63.441 63.100 0.087 0.000 0.768 134 P CB 0.529 32.261 31.700 0.053 0.000 0.842 135 A N 2.982 125.897 122.820 0.160 0.000 2.483 135 A HA 0.277 4.597 4.320 -0.000 0.000 0.238 135 A C 1.305 179.066 177.584 0.296 0.000 1.070 135 A CA 0.636 52.821 52.037 0.247 0.000 0.770 135 A CB -0.382 18.834 19.000 0.360 0.000 1.008 135 A HN 0.654 nan 8.150 nan 0.000 0.497 136 T N -0.999 113.698 114.554 0.238 0.000 3.001 136 T HA 0.280 4.630 4.350 -0.000 0.000 0.251 136 T C 0.481 175.234 174.700 0.089 0.000 1.040 136 T CA 0.330 62.549 62.100 0.198 0.000 0.985 136 T CB 0.068 68.969 68.868 0.055 0.000 1.011 136 T HN 0.660 nan 8.240 nan 0.000 0.509 137 Q N 1.677 121.422 119.800 -0.091 0.000 2.331 137 Q HA 0.428 4.767 4.340 -0.000 0.000 0.272 137 Q C -2.978 172.838 176.000 -0.306 0.000 1.062 137 Q CA -2.598 52.912 55.803 -0.488 0.000 0.806 137 Q CB 3.030 31.239 28.738 -0.881 0.000 1.312 137 Q HN 0.124 nan 8.270 nan 0.000 0.431 138 P HA 0.035 nan 4.420 nan 0.000 0.269 138 P C -0.998 176.433 177.300 0.218 0.000 1.215 138 P CA -0.008 62.965 63.100 -0.212 0.000 0.780 138 P CB 0.545 32.073 31.700 -0.286 0.000 0.898 139 A N 3.842 126.825 122.820 0.271 0.000 2.386 139 A HA 0.490 4.810 4.320 -0.000 0.000 0.248 139 A C -1.989 175.778 177.584 0.306 0.000 1.082 139 A CA -1.176 51.009 52.037 0.246 0.000 0.789 139 A CB -1.231 17.885 19.000 0.193 0.000 1.025 139 A HN 0.434 nan 8.150 nan 0.000 0.490 140 P HA 0.204 nan 4.420 nan 0.000 0.274 140 P C -0.613 176.601 177.300 -0.145 0.000 1.256 140 P CA -0.300 62.827 63.100 0.046 0.000 0.795 140 P CB 0.527 32.215 31.700 -0.020 0.000 1.038 141 D N -1.199 118.886 120.400 -0.525 0.000 2.423 141 D HA 0.386 5.026 4.640 -0.000 0.000 0.255 141 D C 1.262 177.371 176.300 -0.319 0.000 1.174 141 D CA 0.624 54.129 54.000 -0.824 0.000 1.008 141 D CB 0.317 40.463 40.800 -1.089 0.000 1.101 141 D HN 0.647 nan 8.370 nan 0.000 0.516 142 G N -0.013 108.666 108.800 -0.201 0.000 2.157 142 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 142 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 142 G C 0.972 175.847 174.900 -0.042 0.000 0.979 142 G CA 0.594 45.650 45.100 -0.073 0.000 0.650 142 G HN 0.426 nan 8.290 nan 0.000 0.529 143 L N -0.410 120.784 121.223 -0.050 0.000 2.515 143 L HA 0.304 4.644 4.340 -0.000 0.000 0.223 143 L C 0.855 177.695 176.870 -0.049 0.000 1.079 143 L CA 0.210 55.021 54.840 -0.048 0.000 0.857 143 L CB 0.562 42.582 42.059 -0.066 0.000 1.050 143 L HN 0.113 nan 8.230 nan 0.000 0.476 144 V N 1.521 121.419 119.914 -0.027 0.000 2.394 144 V HA 0.292 4.412 4.120 -0.000 0.000 0.282 144 V C -2.103 174.011 176.094 0.033 0.000 1.031 144 V CA -1.673 60.569 62.300 -0.095 0.000 0.881 144 V CB 1.068 32.816 31.823 -0.125 0.000 0.982 144 V HN -0.029 nan 8.190 nan 0.000 0.451 145 P HA 0.160 nan 4.420 nan 0.000 0.269 145 P C -0.324 176.916 177.300 -0.101 0.000 1.209 145 P CA -0.010 63.176 63.100 0.145 0.000 0.776 145 P CB 0.629 32.456 31.700 0.211 0.000 0.876 146 E N 3.384 123.196 120.200 -0.646 0.000 2.222 146 E HA 0.194 4.544 4.350 -0.000 0.000 0.267 146 E C -1.589 174.635 176.600 -0.628 0.000 0.963 146 E CA -1.904 53.983 56.400 -0.856 0.000 0.837 146 E CB 0.782 29.351 29.700 -1.886 0.000 1.183 146 E HN 0.290 nan 8.360 nan 0.000 0.403 147 P HA -0.092 nan 4.420 nan 0.000 0.223 147 P C 0.921 178.234 177.300 0.022 0.000 1.151 147 P CA 1.097 64.182 63.100 -0.025 0.000 0.787 147 P CB -0.102 31.688 31.700 0.150 0.000 0.788 148 F N -2.371 117.606 119.950 0.046 0.000 2.732 148 F HA 0.322 4.848 4.527 -0.000 0.000 0.303 148 F C 0.886 176.777 175.800 0.150 0.000 1.110 148 F CA -1.280 56.772 58.000 0.086 0.000 1.355 148 F CB -1.777 37.270 39.000 0.078 0.000 1.081 148 F HN -0.116 nan 8.300 nan 0.000 0.565 149 H N 1.264 120.287 119.070 -0.078 0.000 2.615 149 H HA 0.258 4.814 4.556 -0.000 0.000 0.363 149 H C 0.928 176.296 175.328 0.066 0.000 1.148 149 H CA -0.206 55.848 56.048 0.009 0.000 1.401 149 H CB 1.016 30.745 29.762 -0.054 0.000 1.461 149 H HN 0.249 nan 8.280 nan 0.000 0.588 150 T N -1.028 113.645 114.554 0.199 0.000 2.766 150 T HA 0.019 4.369 4.350 -0.000 0.000 0.295 150 T C 1.591 176.353 174.700 0.103 0.000 1.024 150 T CA -0.815 61.361 62.100 0.126 0.000 1.018 150 T CB 0.783 69.702 68.868 0.085 0.000 1.002 150 T HN 0.318 nan 8.240 nan 0.000 0.532 151 V N 1.151 121.110 119.914 0.075 0.000 2.343 151 V HA -0.162 3.958 4.120 -0.000 0.000 0.247 151 V C 2.619 178.743 176.094 0.050 0.000 1.051 151 V CA 2.081 64.416 62.300 0.058 0.000 1.036 151 V CB -0.809 31.033 31.823 0.033 0.000 0.654 151 V HN 0.909 nan 8.190 nan 0.000 0.451 152 D N -0.406 120.017 120.400 0.037 0.000 2.144 152 D HA -0.206 4.434 4.640 -0.000 0.000 0.199 152 D C 2.304 178.615 176.300 0.018 0.000 0.984 152 D CA 1.409 55.424 54.000 0.024 0.000 0.834 152 D CB -0.049 40.760 40.800 0.016 0.000 0.955 152 D HN 0.570 nan 8.370 nan 0.000 0.465 153 Q N 0.181 119.988 119.800 0.012 0.000 2.084 153 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 153 Q C 2.426 178.432 176.000 0.010 0.000 0.978 153 Q CA 0.815 56.602 55.803 -0.027 0.000 0.844 153 Q CB 0.071 28.745 28.738 -0.105 0.000 0.898 153 Q HN 0.355 nan 8.270 nan 0.000 0.426 154 I N 0.136 120.745 120.570 0.065 0.000 2.286 154 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 154 I C 2.098 178.266 176.117 0.085 0.000 1.104 154 I CA 0.835 62.196 61.300 0.102 0.000 1.397 154 I CB -0.132 37.945 38.000 0.129 0.000 1.072 154 I HN 0.176 nan 8.210 nan 0.000 0.417 155 I N 1.057 121.666 120.570 0.065 0.000 2.163 155 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 155 I C 2.042 178.189 176.117 0.049 0.000 1.085 155 I CA 1.959 63.293 61.300 0.057 0.000 1.347 155 I CB -0.537 37.488 38.000 0.040 0.000 1.044 155 I HN 0.316 nan 8.210 nan 0.000 0.408 156 N N 0.100 118.818 118.700 0.030 0.000 2.188 156 N HA -0.219 4.521 4.740 -0.000 0.000 0.184 156 N C 1.945 177.465 175.510 0.018 0.000 1.018 156 N CA 0.667 53.725 53.050 0.014 0.000 0.858 156 N CB -0.087 38.398 38.487 -0.005 0.000 0.989 156 N HN 0.145 nan 8.380 nan 0.000 0.426 157 R N 1.427 121.944 120.500 0.028 0.000 2.073 157 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 157 R C 2.044 178.386 176.300 0.071 0.000 1.134 157 R CA 1.389 57.510 56.100 0.035 0.000 0.952 157 R CB -0.712 29.618 30.300 0.050 0.000 0.850 157 R HN 0.272 nan 8.270 nan 0.000 0.433 158 V N -0.853 119.136 119.914 0.125 0.000 2.719 158 V HA -0.025 4.095 4.120 -0.000 0.000 0.252 158 V C 1.847 178.054 176.094 0.187 0.000 1.065 158 V CA 1.952 64.387 62.300 0.226 0.000 1.086 158 V CB -0.855 31.136 31.823 0.279 0.000 0.700 158 V HN 0.349 nan 8.190 nan 0.000 0.467 159 N N 1.585 120.342 118.700 0.095 0.000 2.106 159 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 159 N C 1.648 177.137 175.510 -0.036 0.000 1.029 159 N CA 1.866 54.931 53.050 0.025 0.000 0.848 159 N CB -0.413 38.084 38.487 0.017 0.000 1.007 159 N HN 0.658 nan 8.380 nan 0.000 0.423 160 D N -0.271 120.114 120.400 -0.024 0.000 2.092 160 D HA -0.103 4.537 4.640 -0.000 0.000 0.193 160 D C 1.826 178.079 176.300 -0.078 0.000 0.994 160 D CA 1.701 55.671 54.000 -0.051 0.000 0.828 160 D CB -0.543 40.233 40.800 -0.040 0.000 0.963 160 D HN 0.372 nan 8.370 nan 0.000 0.450 161 A N -0.661 122.127 122.820 -0.053 0.000 1.908 161 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 161 A C 2.109 179.589 177.584 -0.173 0.000 1.181 161 A CA 2.048 54.044 52.037 -0.068 0.000 0.627 161 A CB -0.652 18.361 19.000 0.022 0.000 0.818 161 A HN 0.427 nan 8.150 nan 0.000 0.445 162 G N -2.539 106.051 108.800 -0.350 0.000 4.596 162 G HA2 0.426 4.386 3.960 -0.000 0.000 0.276 162 G HA3 0.426 4.386 3.960 -0.000 0.000 0.276 162 G C -0.072 174.304 174.900 -0.873 0.000 1.013 162 G CA 0.514 45.145 45.100 -0.783 0.000 0.778 162 G HN 0.347 nan 8.290 nan 0.000 0.389 163 E N -0.680 119.242 120.200 -0.462 0.000 2.791 163 E HA -0.192 4.158 4.350 -0.000 0.000 0.271 163 E C -0.590 175.881 176.600 -0.215 0.000 1.044 163 E CA 0.162 56.397 56.400 -0.275 0.000 0.814 163 E CB -1.308 28.267 29.700 -0.209 0.000 1.400 163 E HN 0.414 nan 8.360 nan 0.000 0.423 164 F N 1.521 121.458 119.950 -0.022 0.000 2.399 164 F HA 0.169 4.696 4.527 -0.000 0.000 0.342 164 F C 1.428 177.192 175.800 -0.060 0.000 1.106 164 F CA -0.562 57.415 58.000 -0.038 0.000 1.196 164 F CB 0.480 39.465 39.000 -0.025 0.000 1.163 164 F HN -0.020 nan 8.300 nan 0.000 0.547 165 D N 0.928 121.386 120.400 0.098 0.000 2.539 165 D HA 0.100 4.740 4.640 -0.000 0.000 0.276 165 D C 0.877 177.154 176.300 -0.039 0.000 1.206 165 D CA -0.427 53.575 54.000 0.004 0.000 1.081 165 D CB 0.059 40.837 40.800 -0.036 0.000 1.142 165 D HN 0.676 nan 8.370 nan 0.000 0.595 166 E N -0.489 119.685 120.200 -0.043 0.000 2.208 166 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 166 E C 1.933 178.483 176.600 -0.084 0.000 0.988 166 E CA 0.569 56.952 56.400 -0.029 0.000 0.828 166 E CB -0.323 29.378 29.700 0.002 0.000 0.763 166 E HN 0.468 nan 8.360 nan 0.000 0.478 167 L N 0.805 121.917 121.223 -0.185 0.000 2.072 167 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 167 L C 2.395 178.772 176.870 -0.822 0.000 1.079 167 L CA 1.457 56.105 54.840 -0.320 0.000 0.752 167 L CB -0.446 41.440 42.059 -0.289 0.000 0.906 167 L HN 0.126 nan 8.230 nan 0.000 0.436 168 E N 0.222 119.890 120.200 -0.886 0.000 2.204 168 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 168 E C 2.078 178.447 176.600 -0.385 0.000 0.989 168 E CA 0.679 56.510 56.400 -0.948 0.000 0.824 168 E CB -0.072 29.325 29.700 -0.505 0.000 0.756 168 E HN 0.249 nan 8.360 nan 0.000 0.477 169 L N 0.758 121.859 121.223 -0.204 0.000 2.042 169 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 169 L C 2.139 179.046 176.870 0.061 0.000 1.076 169 L CA 1.512 56.322 54.840 -0.051 0.000 0.749 169 L CB -0.392 41.684 42.059 0.027 0.000 0.893 169 L HN -0.069 nan 8.230 nan 0.000 0.432 170 V N -1.110 118.884 119.914 0.132 0.000 2.358 170 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 170 V C 2.307 178.661 176.094 0.434 0.000 1.047 170 V CA 1.819 64.343 62.300 0.373 0.000 1.035 170 V CB -0.920 31.189 31.823 0.476 0.000 0.658 170 V HN 0.559 nan 8.190 nan 0.000 0.452 171 W N 0.550 121.978 121.300 0.214 0.000 2.358 171 W HA -0.168 4.492 4.660 -0.000 0.000 0.303 171 W C 2.635 179.250 176.519 0.160 0.000 1.208 171 W CA 1.544 59.000 57.345 0.186 0.000 1.274 171 W CB -1.412 28.186 29.460 0.230 0.000 1.138 171 W HN 0.413 nan 8.180 nan 0.000 0.515 172 M N -1.152 118.617 119.600 0.282 0.000 2.394 172 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 172 M C 1.513 177.815 176.300 0.003 0.000 1.073 172 M CA 1.620 57.020 55.300 0.168 0.000 1.111 172 M CB -1.037 31.502 32.600 -0.103 0.000 1.401 172 M HN -0.095 nan 8.290 nan 0.000 0.448 173 L N 0.710 121.881 121.223 -0.087 0.000 2.552 173 L HA 0.003 4.343 4.340 -0.000 0.000 0.227 173 L C 2.124 178.685 176.870 -0.514 0.000 1.146 173 L CA 0.108 54.726 54.840 -0.370 0.000 0.858 173 L CB -0.396 41.594 42.059 -0.115 0.000 0.969 173 L HN 0.397 nan 8.230 nan 0.000 0.451 174 S N 0.406 115.969 115.700 -0.229 0.000 2.419 174 S HA -0.188 4.282 4.470 -0.000 0.000 0.235 174 S C 2.197 176.376 174.600 -0.702 0.000 1.019 174 S CA 1.117 59.059 58.200 -0.429 0.000 0.982 174 S CB -0.159 62.843 63.200 -0.329 0.000 0.789 174 S HN 0.556 nan 8.310 nan 0.000 0.490 175 A N 0.915 123.373 122.820 -0.603 0.000 2.125 175 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 175 A C 1.503 178.840 177.584 -0.412 0.000 1.156 175 A CA 1.035 52.809 52.037 -0.439 0.000 0.671 175 A CB -0.818 18.113 19.000 -0.117 0.000 0.794 175 A HN 0.687 nan 8.150 nan 0.000 0.459 176 H N -1.358 117.142 119.070 -0.950 0.000 2.563 176 H HA 0.009 4.565 4.556 -0.000 0.000 0.272 176 H C 2.109 176.833 175.328 -1.007 0.000 1.005 176 H CA 0.442 55.771 56.048 -1.199 0.000 1.171 176 H CB 0.260 28.739 29.762 -2.139 0.000 1.351 176 H HN 0.563 nan 8.280 nan 0.000 0.602 177 S N 0.901 116.143 115.700 -0.764 0.000 2.481 177 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 177 S C 1.022 175.435 174.600 -0.311 0.000 0.996 177 S CA 0.584 58.493 58.200 -0.486 0.000 0.942 177 S CB -0.001 62.804 63.200 -0.658 0.000 0.768 177 S HN 0.289 nan 8.310 nan 0.000 0.520 178 V N -0.606 119.134 119.914 -0.290 0.000 2.384 178 V HA 0.913 5.033 4.120 -0.000 0.000 0.257 178 V C -0.435 175.264 176.094 -0.658 0.000 0.969 178 V CA -0.306 61.811 62.300 -0.304 0.000 0.910 178 V CB -0.158 31.630 31.823 -0.058 0.000 1.150 178 V HN 0.322 nan 8.190 nan 0.000 0.481 179 A N 1.669 124.147 122.820 -0.571 0.000 2.605 179 A HA 1.046 5.366 4.320 -0.000 0.000 0.294 179 A C -0.575 176.890 177.584 -0.198 0.000 1.062 179 A CA -0.037 51.768 52.037 -0.388 0.000 0.682 179 A CB 1.651 20.635 19.000 -0.027 0.000 1.278 179 A HN 2.111 nan 8.150 nan 0.000 0.410 180 A N -0.071 122.655 122.820 -0.157 0.000 2.569 180 A HA 0.826 5.146 4.320 -0.000 0.000 0.290 180 A C -1.428 175.998 177.584 -0.264 0.000 1.136 180 A CA -0.535 51.363 52.037 -0.232 0.000 0.710 180 A CB 1.407 20.350 19.000 -0.096 0.000 1.303 180 A HN 1.630 nan 8.150 nan 0.000 0.413 181 V N 2.192 121.901 119.914 -0.342 0.000 2.378 181 V HA 0.304 4.424 4.120 -0.000 0.000 0.288 181 V C -0.099 175.918 176.094 -0.129 0.000 1.016 181 V CA -0.589 61.548 62.300 -0.273 0.000 0.840 181 V CB 1.276 32.860 31.823 -0.400 0.000 0.994 181 V HN 0.896 nan 8.190 nan 0.000 0.431 182 N N 1.914 120.575 118.700 -0.065 0.000 2.368 182 N HA 0.074 4.814 4.740 -0.000 0.000 0.178 182 N C 0.550 176.049 175.510 -0.017 0.000 1.076 182 N CA 0.400 53.431 53.050 -0.032 0.000 0.889 182 N CB 0.724 39.206 38.487 -0.009 0.000 1.040 182 N HN 0.640 nan 8.380 nan 0.000 0.463 183 D N -0.155 120.239 120.400 -0.011 0.000 2.503 183 D HA 0.158 4.798 4.640 -0.000 0.000 0.218 183 D C 1.335 177.651 176.300 0.027 0.000 1.183 183 D CA 0.070 54.075 54.000 0.008 0.000 0.827 183 D CB 1.285 42.087 40.800 0.003 0.000 1.034 183 D HN -0.071 nan 8.370 nan 0.000 0.510 184 V N 0.456 120.383 119.914 0.022 0.000 2.426 184 V HA -0.047 4.073 4.120 -0.000 0.000 0.242 184 V C 0.788 176.901 176.094 0.031 0.000 1.036 184 V CA 0.971 63.303 62.300 0.052 0.000 1.044 184 V CB 0.147 32.006 31.823 0.061 0.000 0.688 184 V HN 0.075 nan 8.190 nan 0.000 0.462 185 D N 0.586 120.989 120.400 0.005 0.000 2.274 185 D HA 0.190 4.830 4.640 -0.000 0.000 0.239 185 D C -1.835 174.461 176.300 -0.007 0.000 1.104 185 D CA -2.210 51.785 54.000 -0.009 0.000 0.840 185 D CB 2.131 42.924 40.800 -0.013 0.000 1.100 185 D HN 0.118 nan 8.370 nan 0.000 0.477 186 P HA -0.037 nan 4.420 nan 0.000 0.233 186 P C 1.054 178.350 177.300 -0.006 0.000 1.167 186 P CA 0.726 63.825 63.100 -0.001 0.000 0.770 186 P CB 0.080 31.780 31.700 -0.000 0.000 0.837 187 T N -3.811 110.735 114.554 -0.012 0.000 3.065 187 T HA 0.184 4.534 4.350 -0.000 0.000 0.252 187 T C 0.558 175.253 174.700 -0.007 0.000 1.099 187 T CA -0.115 61.979 62.100 -0.010 0.000 1.063 187 T CB -0.276 68.583 68.868 -0.014 0.000 0.948 187 T HN -0.007 nan 8.240 nan 0.000 0.506 188 V N 0.563 120.472 119.914 -0.009 0.000 2.891 188 V HA 0.458 4.578 4.120 -0.000 0.000 0.304 188 V C -2.097 173.988 176.094 -0.015 0.000 1.171 188 V CA -0.845 61.449 62.300 -0.010 0.000 0.943 188 V CB 2.378 34.195 31.823 -0.009 0.000 1.037 188 V HN 0.410 nan 8.190 nan 0.000 0.427 189 Q N 3.308 123.099 119.800 -0.014 0.000 2.266 189 Q HA 0.658 4.998 4.340 -0.000 0.000 0.261 189 Q C 0.707 176.692 176.000 -0.026 0.000 0.985 189 Q CA -0.185 55.607 55.803 -0.019 0.000 0.873 189 Q CB 1.936 30.669 28.738 -0.008 0.000 1.306 189 Q HN 1.617 nan 8.270 nan 0.000 0.447 190 G N 1.384 110.160 108.800 -0.040 0.000 2.130 190 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 190 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 190 G C -0.231 174.630 174.900 -0.065 0.000 0.999 190 G CA -0.414 44.663 45.100 -0.038 0.000 0.686 190 G HN 0.424 nan 8.290 nan 0.000 0.515 191 L N 0.981 122.141 121.223 -0.104 0.000 2.319 191 L HA 0.383 4.723 4.340 -0.000 0.000 0.280 191 L C -1.820 174.927 176.870 -0.205 0.000 1.099 191 L CA -1.960 52.808 54.840 -0.119 0.000 0.828 191 L CB 0.990 42.977 42.059 -0.120 0.000 1.150 191 L HN -0.066 nan 8.230 nan 0.000 0.442 192 P HA 0.143 nan 4.420 nan 0.000 0.276 192 P C 0.017 177.219 177.300 -0.164 0.000 1.244 192 P CA -0.338 62.669 63.100 -0.156 0.000 0.801 192 P CB 0.560 32.231 31.700 -0.049 0.000 1.006 193 F N 0.097 120.007 119.950 -0.066 0.000 2.367 193 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 193 F C 1.226 177.083 175.800 0.095 0.000 1.094 193 F CA 1.308 59.321 58.000 0.021 0.000 1.409 193 F CB -0.171 38.809 39.000 -0.033 0.000 1.064 193 F HN 0.309 nan 8.300 nan 0.000 0.528 194 D N -2.535 117.980 120.400 0.192 0.000 2.652 194 D HA 0.162 4.802 4.640 -0.000 0.000 0.285 194 D C 0.469 176.802 176.300 0.055 0.000 1.173 194 D CA -0.234 53.837 54.000 0.118 0.000 0.981 194 D CB 0.616 41.467 40.800 0.085 0.000 1.440 194 D HN -0.148 nan 8.370 nan 0.000 0.485 195 S N -1.801 113.927 115.700 0.047 0.000 2.603 195 S HA 0.096 4.566 4.470 -0.000 0.000 0.220 195 S C 0.652 175.290 174.600 0.064 0.000 0.967 195 S CA 0.467 58.706 58.200 0.064 0.000 0.920 195 S CB -0.986 62.278 63.200 0.108 0.000 0.773 195 S HN 0.709 nan 8.310 nan 0.000 0.529 196 T N -0.687 113.887 114.554 0.032 0.000 3.466 196 T HA 0.430 4.780 4.350 -0.000 0.000 0.297 196 T C -2.180 172.520 174.700 -0.000 0.000 1.640 196 T CA -1.455 60.663 62.100 0.030 0.000 1.631 196 T CB 1.264 70.151 68.868 0.032 0.000 0.928 196 T HN 0.032 nan 8.240 nan 0.000 0.688 197 P HA 0.111 nan 4.420 nan 0.000 0.234 197 P C 1.321 178.664 177.300 0.071 0.000 1.167 197 P CA 0.476 63.560 63.100 -0.025 0.000 0.763 197 P CB -0.191 31.504 31.700 -0.008 0.000 0.835 198 G N -0.711 108.143 108.800 0.089 0.000 3.233 198 G HA2 0.287 4.247 3.960 -0.000 0.000 0.234 198 G HA3 0.287 4.247 3.960 -0.000 0.000 0.234 198 G C 0.403 175.348 174.900 0.074 0.000 1.137 198 G CA -0.066 45.102 45.100 0.113 0.000 0.763 198 G HN 0.200 nan 8.290 nan 0.000 0.549 199 I N 0.319 120.917 120.570 0.047 0.000 2.436 199 I HA 0.329 4.498 4.170 -0.000 0.000 0.289 199 I C -1.201 174.933 176.117 0.029 0.000 1.010 199 I CA -1.113 60.216 61.300 0.049 0.000 1.098 199 I CB 2.489 40.509 38.000 0.033 0.000 1.266 199 I HN -0.044 nan 8.210 nan 0.000 0.434 200 F N 7.829 127.745 119.950 -0.057 0.000 2.423 200 F HA 0.261 4.788 4.527 -0.000 0.000 0.356 200 F C -0.110 175.677 175.800 -0.021 0.000 1.170 200 F CA -0.011 57.929 58.000 -0.100 0.000 1.163 200 F CB -0.160 38.762 39.000 -0.131 0.000 1.318 200 F HN 0.567 nan 8.300 nan 0.000 0.569 201 D N 1.240 121.360 120.400 -0.467 0.000 2.812 201 D HA 0.241 4.881 4.640 -0.000 0.000 0.318 201 D C -0.532 175.512 176.300 -0.426 0.000 1.234 201 D CA -0.793 52.999 54.000 -0.347 0.000 0.989 201 D CB 1.024 41.572 40.800 -0.419 0.000 1.442 201 D HN 0.059 nan 8.370 nan 0.000 0.537 202 S N -0.679 114.772 115.700 -0.414 0.000 2.614 202 S HA 0.012 4.482 4.470 -0.000 0.000 0.230 202 S C 1.103 175.583 174.600 -0.200 0.000 0.952 202 S CA -0.298 57.829 58.200 -0.122 0.000 0.949 202 S CB -0.037 63.198 63.200 0.058 0.000 0.786 202 S HN 0.292 nan 8.310 nan 0.000 0.478 203 Q N 0.390 119.981 119.800 -0.349 0.000 2.170 203 Q HA -0.043 4.296 4.340 -0.000 0.000 0.203 203 Q C 1.570 177.471 176.000 -0.165 0.000 0.976 203 Q CA 0.974 56.584 55.803 -0.321 0.000 0.858 203 Q CB -0.478 28.051 28.738 -0.348 0.000 0.907 203 Q HN 0.656 nan 8.270 nan 0.000 0.433 204 F N 0.611 120.347 119.950 -0.357 0.000 2.095 204 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 204 F C 1.635 177.195 175.800 -0.399 0.000 1.104 204 F CA 1.287 59.030 58.000 -0.429 0.000 1.232 204 F CB -0.402 38.166 39.000 -0.720 0.000 0.987 204 F HN -0.038 nan 8.300 nan 0.000 0.475 205 F N -0.408 119.343 119.950 -0.332 0.000 2.259 205 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 205 F C 2.346 178.148 175.800 0.004 0.000 1.088 205 F CA 1.195 58.985 58.000 -0.351 0.000 1.358 205 F CB -1.237 37.554 39.000 -0.349 0.000 1.040 205 F HN -0.189 nan 8.300 nan 0.000 0.505 206 V N -0.012 119.981 119.914 0.133 0.000 2.270 206 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 206 V C 2.053 178.245 176.094 0.165 0.000 1.043 206 V CA 1.974 64.416 62.300 0.237 0.000 1.014 206 V CB -0.580 31.272 31.823 0.048 0.000 0.645 206 V HN 0.282 nan 8.190 nan 0.000 0.447 207 E N 0.320 120.545 120.200 0.041 0.000 2.208 207 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 207 E C 2.172 178.791 176.600 0.031 0.000 0.988 207 E CA 1.466 57.891 56.400 0.041 0.000 0.828 207 E CB -0.199 29.517 29.700 0.027 0.000 0.763 207 E HN 0.804 nan 8.360 nan 0.000 0.478 208 T N -1.253 113.296 114.554 -0.008 0.000 3.035 208 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 208 T C 1.824 176.542 174.700 0.030 0.000 1.109 208 T CA 0.583 62.689 62.100 0.009 0.000 1.119 208 T CB 0.098 68.937 68.868 -0.049 0.000 0.900 208 T HN -0.076 nan 8.240 nan 0.000 0.503 209 Q N 0.254 120.110 119.800 0.093 0.000 2.432 209 Q HA 0.360 4.700 4.340 -0.000 0.000 0.205 209 Q C 0.440 176.407 176.000 -0.055 0.000 0.945 209 Q CA 0.089 55.910 55.803 0.030 0.000 0.924 209 Q CB -0.475 28.358 28.738 0.159 0.000 1.016 209 Q HN 0.606 nan 8.270 nan 0.000 0.503 210 L N 0.897 122.102 121.223 -0.030 0.000 2.464 210 L HA 0.220 4.560 4.340 -0.000 0.000 0.264 210 L C 0.665 177.508 176.870 -0.045 0.000 1.199 210 L CA -0.519 54.283 54.840 -0.065 0.000 0.818 210 L CB 0.361 42.401 42.059 -0.033 0.000 1.102 210 L HN 0.069 nan 8.230 nan 0.000 0.473 211 R N 0.630 121.092 120.500 -0.063 0.000 2.489 211 R HA 0.177 4.517 4.340 -0.000 0.000 0.287 211 R C 0.004 176.283 176.300 -0.035 0.000 1.053 211 R CA -0.111 55.966 56.100 -0.039 0.000 1.036 211 R CB 0.595 30.860 30.300 -0.058 0.000 0.966 211 R HN 0.775 nan 8.270 nan 0.000 0.432 212 G N 1.613 110.397 108.800 -0.026 0.000 2.380 212 G HA2 0.184 4.144 3.960 -0.000 0.000 0.262 212 G HA3 0.184 4.144 3.960 -0.000 0.000 0.262 212 G C 0.644 175.472 174.900 -0.121 0.000 1.243 212 G CA -0.164 44.886 45.100 -0.084 0.000 0.865 212 G HN 0.813 nan 8.290 nan 0.000 0.513 213 T N -1.710 112.767 114.554 -0.129 0.000 2.986 213 T HA 0.622 4.971 4.350 -0.000 0.000 0.264 213 T C 0.580 175.195 174.700 -0.140 0.000 0.964 213 T CA 0.705 62.735 62.100 -0.116 0.000 0.895 213 T CB 0.472 69.296 68.868 -0.074 0.000 1.163 213 T HN 1.440 nan 8.240 nan 0.000 0.517 214 A N 0.448 123.155 122.820 -0.189 0.000 2.608 214 A HA 0.682 5.002 4.320 -0.000 0.000 0.292 214 A C -1.828 175.612 177.584 -0.240 0.000 1.066 214 A CA -0.963 50.972 52.037 -0.170 0.000 0.676 214 A CB 0.568 19.540 19.000 -0.046 0.000 1.277 214 A HN 0.190 nan 8.150 nan 0.000 0.413 215 F N 1.442 121.386 119.950 -0.011 0.000 2.384 215 F HA 0.470 4.997 4.527 -0.000 0.000 0.338 215 F C -0.756 175.038 175.800 -0.010 0.000 1.103 215 F CA -1.269 56.725 58.000 -0.011 0.000 1.157 215 F CB 1.137 40.131 39.000 -0.011 0.000 1.167 215 F HN 0.462 nan 8.300 nan 0.000 0.529 216 P HA 0.082 nan 4.420 nan 0.000 0.225 216 P C 0.586 177.932 177.300 0.076 0.000 1.156 216 P CA 1.025 64.177 63.100 0.087 0.000 0.787 216 P CB 0.565 32.297 31.700 0.053 0.000 0.802 217 G N 0.098 108.952 108.800 0.089 0.000 3.009 217 G HA2 0.279 4.239 3.960 -0.000 0.000 0.193 217 G HA3 0.279 4.239 3.960 -0.000 0.000 0.193 217 G C -0.447 174.467 174.900 0.023 0.000 1.636 217 G CA 0.280 45.404 45.100 0.040 0.000 0.832 217 G HN 0.311 nan 8.290 nan 0.000 0.795 218 S N -0.193 115.490 115.700 -0.028 0.000 2.632 218 S HA 0.666 5.136 4.470 -0.000 0.000 0.271 218 S C 0.330 174.775 174.600 -0.258 0.000 1.260 218 S CA 0.116 58.259 58.200 -0.095 0.000 1.010 218 S CB 1.453 64.594 63.200 -0.097 0.000 0.965 218 S HN 0.951 nan 8.310 nan 0.000 0.534 219 G N -0.971 107.596 108.800 -0.388 0.000 2.437 219 G HA2 0.535 4.495 3.960 -0.000 0.000 0.319 219 G HA3 0.535 4.495 3.960 -0.000 0.000 0.319 219 G C 0.889 175.281 174.900 -0.847 0.000 1.158 219 G CA -0.519 43.974 45.100 -1.011 0.000 0.899 219 G HN 1.993 nan 8.290 nan 0.000 0.502 220 G N -0.002 108.093 108.800 -1.176 0.000 2.160 220 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.251 220 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.251 220 G C 0.374 175.118 174.900 -0.259 0.000 1.008 220 G CA 0.144 44.967 45.100 -0.462 0.000 0.724 220 G HN 0.737 nan 8.290 nan 0.000 0.514 221 N N 0.340 118.886 118.700 -0.256 0.000 2.479 221 N HA 0.184 4.924 4.740 -0.000 0.000 0.257 221 N C 0.602 176.104 175.510 -0.014 0.000 1.232 221 N CA 0.010 53.001 53.050 -0.097 0.000 0.920 221 N CB 0.505 38.956 38.487 -0.060 0.000 1.105 221 N HN 0.646 nan 8.380 nan 0.000 0.444 222 Q N 0.148 119.949 119.800 0.002 0.000 2.300 222 Q HA 0.151 4.491 4.340 -0.000 0.000 0.280 222 Q C 0.795 176.895 176.000 0.168 0.000 1.033 222 Q CA 0.743 56.557 55.803 0.020 0.000 0.903 222 Q CB 0.121 28.807 28.738 -0.087 0.000 1.195 222 Q HN 0.860 nan 8.270 nan 0.000 0.386 223 G N 2.977 111.915 108.800 0.230 0.000 2.179 223 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 223 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 223 G C -0.099 174.941 174.900 0.233 0.000 0.977 223 G CA 0.434 45.726 45.100 0.319 0.000 0.641 223 G HN 0.659 nan 8.290 nan 0.000 0.533 224 E N -0.073 120.247 120.200 0.199 0.000 2.195 224 E HA 0.645 4.995 4.350 -0.000 0.000 0.271 224 E C 0.301 177.071 176.600 0.283 0.000 0.923 224 E CA -0.401 56.134 56.400 0.226 0.000 0.790 224 E CB 2.120 31.947 29.700 0.212 0.000 1.155 224 E HN 0.744 nan 8.360 nan 0.000 0.402 225 V N 0.043 120.079 119.914 0.204 0.000 3.126 225 V HA 0.522 4.642 4.120 -0.000 0.000 0.314 225 V C -0.218 175.740 176.094 -0.226 0.000 1.138 225 V CA -1.056 61.257 62.300 0.022 0.000 1.034 225 V CB 1.552 33.236 31.823 -0.232 0.000 1.075 225 V HN 0.745 nan 8.190 nan 0.000 0.442 226 E N 1.465 121.298 120.200 -0.611 0.000 2.418 226 E HA 0.379 4.729 4.350 -0.000 0.000 0.261 226 E C 0.099 176.519 176.600 -0.300 0.000 1.070 226 E CA 0.339 56.304 56.400 -0.725 0.000 0.931 226 E CB 0.966 30.276 29.700 -0.649 0.000 0.954 226 E HN 0.973 nan 8.360 nan 0.000 0.439 227 S N 1.622 117.196 115.700 -0.211 0.000 2.726 227 S HA 0.459 4.929 4.470 -0.000 0.000 0.308 227 S C -2.193 172.368 174.600 -0.066 0.000 1.115 227 S CA -1.339 56.818 58.200 -0.072 0.000 0.965 227 S CB 2.029 65.222 63.200 -0.013 0.000 1.145 227 S HN 0.284 nan 8.310 nan 0.000 0.532 228 P HA 0.363 nan 4.420 nan 0.000 0.257 228 P C -0.378 176.915 177.300 -0.012 0.000 1.241 228 P CA 0.136 63.221 63.100 -0.025 0.000 0.816 228 P CB 0.103 31.798 31.700 -0.008 0.000 1.150 229 L N 0.377 121.600 121.223 0.001 0.000 2.422 229 L HA 0.518 4.858 4.340 -0.000 0.000 0.264 229 L C -2.720 174.156 176.870 0.010 0.000 0.984 229 L CA -2.983 51.864 54.840 0.012 0.000 0.819 229 L CB 2.458 44.535 42.059 0.031 0.000 1.330 229 L HN -0.379 nan 8.230 nan 0.000 0.410 230 P HA 0.131 nan 4.420 nan 0.000 0.268 230 P C 0.782 178.091 177.300 0.015 0.000 1.204 230 P CA 0.658 63.766 63.100 0.013 0.000 0.768 230 P CB 0.870 32.577 31.700 0.012 0.000 0.842 231 G N 1.482 110.290 108.800 0.014 0.000 2.253 231 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.251 231 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.251 231 G C 0.150 175.049 174.900 -0.002 0.000 0.998 231 G CA 0.181 45.285 45.100 0.007 0.000 0.621 231 G HN 0.666 nan 8.290 nan 0.000 0.524 232 E N 0.241 120.446 120.200 0.007 0.000 2.231 232 E HA 0.682 5.032 4.350 -0.000 0.000 0.277 232 E C -0.220 176.382 176.600 0.003 0.000 0.999 232 E CA -0.936 55.468 56.400 0.005 0.000 0.827 232 E CB 1.048 30.768 29.700 0.033 0.000 1.101 232 E HN 0.375 nan 8.360 nan 0.000 0.393 233 I N 3.309 123.859 120.570 -0.033 0.000 2.607 233 I HA 0.448 4.618 4.170 -0.000 0.000 0.305 233 I C -0.724 175.436 176.117 0.072 0.000 0.995 233 I CA -0.868 60.423 61.300 -0.015 0.000 1.148 233 I CB 1.103 39.029 38.000 -0.122 0.000 1.323 233 I HN 0.555 nan 8.210 nan 0.000 0.461 234 R N 7.427 128.004 120.500 0.128 0.000 2.575 234 R HA 0.570 4.910 4.340 -0.000 0.000 0.293 234 R C -1.187 175.259 176.300 0.244 0.000 0.983 234 R CA -0.687 55.550 56.100 0.229 0.000 0.887 234 R CB 1.554 31.941 30.300 0.146 0.000 1.184 234 R HN 0.698 nan 8.270 nan 0.000 0.445 235 I N 0.287 121.074 120.570 0.361 0.000 2.664 235 I HA 0.292 4.462 4.170 -0.000 0.000 0.308 235 I C 1.035 177.301 176.117 0.250 0.000 0.984 235 I CA -0.837 60.647 61.300 0.307 0.000 1.213 235 I CB 1.828 40.058 38.000 0.384 0.000 1.379 235 I HN 0.749 nan 8.210 nan 0.000 0.501 236 Q N 2.044 121.970 119.800 0.209 0.000 2.124 236 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 236 Q C 1.990 178.105 176.000 0.192 0.000 0.977 236 Q CA 2.444 58.355 55.803 0.180 0.000 0.850 236 Q CB 0.105 28.949 28.738 0.177 0.000 0.901 236 Q HN 0.980 nan 8.270 nan 0.000 0.429 237 S N 0.655 116.465 115.700 0.184 0.000 2.356 237 S HA -0.168 4.302 4.470 -0.000 0.000 0.223 237 S C 1.414 176.093 174.600 0.132 0.000 1.032 237 S CA 1.352 59.642 58.200 0.149 0.000 1.005 237 S CB -0.431 62.854 63.200 0.142 0.000 0.867 237 S HN 0.374 nan 8.310 nan 0.000 0.449 238 D N 1.001 121.525 120.400 0.207 0.000 2.117 238 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 238 D C 1.802 178.047 176.300 -0.092 0.000 0.982 238 D CA 1.548 55.665 54.000 0.195 0.000 0.828 238 D CB -0.716 40.352 40.800 0.446 0.000 0.967 238 D HN 0.684 nan 8.370 nan 0.000 0.464 239 H N 0.282 119.317 119.070 -0.059 0.000 2.319 239 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 239 H C 1.984 177.184 175.328 -0.213 0.000 1.092 239 H CA 3.041 59.010 56.048 -0.133 0.000 1.302 239 H CB -0.117 29.624 29.762 -0.034 0.000 1.373 239 H HN 0.175 nan 8.280 nan 0.000 0.497 240 T N -1.847 112.663 114.554 -0.072 0.000 2.942 240 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 240 T C 2.169 176.732 174.700 -0.229 0.000 1.062 240 T CA 1.245 63.272 62.100 -0.122 0.000 1.139 240 T CB -0.423 68.465 68.868 0.033 0.000 0.883 240 T HN 0.371 nan 8.240 nan 0.000 0.468 241 I N 1.811 122.216 120.570 -0.275 0.000 2.394 241 I HA 0.010 4.180 4.170 -0.000 0.000 0.251 241 I C 3.081 178.829 176.117 -0.614 0.000 1.136 241 I CA 0.941 62.062 61.300 -0.299 0.000 1.425 241 I CB -0.445 37.485 38.000 -0.118 0.000 1.079 241 I HN 0.322 nan 8.210 nan 0.000 0.425 242 A N 0.706 122.820 122.820 -1.176 0.000 2.067 242 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 242 A C 2.260 179.476 177.584 -0.614 0.000 1.158 242 A CA 1.293 52.457 52.037 -1.456 0.000 0.661 242 A CB -0.345 17.763 19.000 -1.486 0.000 0.801 242 A HN 0.368 nan 8.150 nan 0.000 0.452 243 R N -0.707 119.516 120.500 -0.462 0.000 2.365 243 R HA 0.109 4.449 4.340 -0.000 0.000 0.223 243 R C -0.086 176.113 176.300 -0.168 0.000 0.899 243 R CA -0.107 55.824 56.100 -0.283 0.000 1.059 243 R CB 0.341 30.445 30.300 -0.326 0.000 1.086 243 R HN 0.444 nan 8.270 nan 0.000 0.522 244 D N 0.725 121.033 120.400 -0.154 0.000 2.389 244 D HA -0.040 4.600 4.640 -0.000 0.000 0.247 244 D C 0.950 177.223 176.300 -0.046 0.000 1.128 244 D CA 0.204 54.157 54.000 -0.077 0.000 0.884 244 D CB 1.376 42.142 40.800 -0.057 0.000 1.194 244 D HN 0.110 nan 8.370 nan 0.000 0.441 245 S N 4.057 119.741 115.700 -0.027 0.000 2.442 245 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 245 S C 1.621 176.221 174.600 0.000 0.000 1.007 245 S CA 0.701 58.894 58.200 -0.012 0.000 0.965 245 S CB -0.051 63.144 63.200 -0.008 0.000 0.773 245 S HN 0.552 nan 8.310 nan 0.000 0.504 246 R N 0.991 121.492 120.500 0.003 0.000 2.153 246 R HA 0.038 4.378 4.340 -0.000 0.000 0.218 246 R C 2.087 178.405 176.300 0.030 0.000 1.072 246 R CA 1.590 57.697 56.100 0.013 0.000 0.990 246 R CB -0.377 29.930 30.300 0.012 0.000 0.889 246 R HN 0.764 nan 8.270 nan 0.000 0.452 247 T N -3.596 110.982 114.554 0.039 0.000 2.975 247 T HA 0.335 4.684 4.350 -0.000 0.000 0.257 247 T C 1.821 176.600 174.700 0.133 0.000 1.003 247 T CA 0.216 62.374 62.100 0.097 0.000 0.932 247 T CB 0.636 69.575 68.868 0.118 0.000 1.087 247 T HN 0.106 nan 8.240 nan 0.000 0.512 248 A N 1.115 123.970 122.820 0.060 0.000 1.908 248 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 248 A C 2.484 180.143 177.584 0.125 0.000 1.181 248 A CA 1.632 53.708 52.037 0.065 0.000 0.627 248 A CB -1.425 17.573 19.000 -0.004 0.000 0.818 248 A HN 0.676 nan 8.150 nan 0.000 0.445 249 c N -1.378 117.267 118.600 0.076 0.000 2.450 249 c HA 0.027 4.597 4.570 -0.000 0.000 0.279 249 c C 2.632 176.736 174.090 0.023 0.000 1.335 249 c CA 1.170 57.525 56.329 0.044 0.000 1.749 249 c CB -0.872 41.645 42.510 0.011 0.000 1.963 249 c HN 0.755 nan 8.230 nan 0.000 0.501 250 E N 0.034 120.269 120.200 0.060 0.000 2.107 250 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 250 E C 1.995 178.590 176.600 -0.008 0.000 0.982 250 E CA 0.900 57.303 56.400 0.005 0.000 0.809 250 E CB -0.354 29.419 29.700 0.122 0.000 0.756 250 E HN 0.729 nan 8.360 nan 0.000 0.459 251 W N 1.265 122.565 121.300 0.000 0.000 2.355 251 W HA -0.196 4.464 4.660 -0.000 0.000 0.309 251 W C 1.951 178.456 176.519 -0.022 0.000 1.206 251 W CA 1.902 59.304 57.345 0.095 0.000 1.284 251 W CB -0.383 29.190 29.460 0.190 0.000 1.145 251 W HN 0.239 nan 8.180 nan 0.000 0.502 252 Q N 0.509 120.447 119.800 0.230 0.000 2.291 252 Q HA -0.168 4.172 4.340 -0.000 0.000 0.205 252 Q C 2.340 178.226 176.000 -0.189 0.000 0.970 252 Q CA 1.882 57.718 55.803 0.055 0.000 0.876 252 Q CB -0.194 28.589 28.738 0.076 0.000 0.935 252 Q HN 0.229 nan 8.270 nan 0.000 0.455 253 S N -0.596 114.916 115.700 -0.312 0.000 2.442 253 S HA -0.128 4.342 4.470 -0.000 0.000 0.236 253 S C 1.298 175.555 174.600 -0.573 0.000 1.007 253 S CA 0.736 58.660 58.200 -0.460 0.000 0.965 253 S CB -0.433 62.439 63.200 -0.547 0.000 0.773 253 S HN 0.410 nan 8.310 nan 0.000 0.504 254 F N 1.899 121.617 119.950 -0.387 0.000 2.615 254 F HA 0.319 4.846 4.527 -0.000 0.000 0.297 254 F C 0.965 176.645 175.800 -0.200 0.000 1.124 254 F CA -0.585 57.182 58.000 -0.387 0.000 1.451 254 F CB -0.540 37.978 39.000 -0.802 0.000 1.103 254 F HN -0.026 nan 8.300 nan 0.000 0.569 255 V N 1.920 121.779 119.914 -0.093 0.000 2.493 255 V HA -0.056 4.064 4.120 -0.000 0.000 0.292 255 V C 0.718 176.756 176.094 -0.092 0.000 1.016 255 V CA 0.114 62.338 62.300 -0.127 0.000 1.097 255 V CB -0.382 31.213 31.823 -0.381 0.000 0.947 255 V HN 0.530 nan 8.190 nan 0.000 0.479 256 N N 3.134 121.869 118.700 0.059 0.000 2.747 256 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 256 N C -0.126 175.422 175.510 0.064 0.000 1.107 256 N CA 1.081 54.215 53.050 0.139 0.000 0.707 256 N CB -0.991 37.483 38.487 -0.022 0.000 1.054 256 N HN 0.833 nan 8.380 nan 0.000 0.555 257 N N 0.419 119.158 118.700 0.066 0.000 2.725 257 N HA 0.175 4.915 4.740 -0.000 0.000 0.248 257 N C 0.594 176.005 175.510 -0.166 0.000 1.402 257 N CA -0.269 52.725 53.050 -0.094 0.000 0.766 257 N CB 0.535 38.956 38.487 -0.110 0.000 1.223 257 N HN 0.382 nan 8.380 nan 0.000 0.515 258 Q N 0.462 119.925 119.800 -0.561 0.000 2.084 258 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 258 Q C 1.347 177.167 176.000 -0.300 0.000 0.978 258 Q CA 2.282 57.612 55.803 -0.789 0.000 0.844 258 Q CB 0.209 28.147 28.738 -1.333 0.000 0.898 258 Q HN 0.593 nan 8.270 nan 0.000 0.426 259 S N -0.091 115.464 115.700 -0.242 0.000 2.402 259 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 259 S C 1.839 176.383 174.600 -0.093 0.000 1.021 259 S CA 1.234 59.350 58.200 -0.139 0.000 0.974 259 S CB -0.229 62.895 63.200 -0.126 0.000 0.800 259 S HN 0.356 nan 8.310 nan 0.000 0.484 260 K N 0.626 120.975 120.400 -0.086 0.000 2.103 260 K HA 0.045 4.365 4.320 -0.000 0.000 0.204 260 K C 2.167 178.827 176.600 0.099 0.000 1.052 260 K CA 1.012 57.258 56.287 -0.067 0.000 0.945 260 K CB -0.299 32.108 32.500 -0.155 0.000 0.722 260 K HN 0.379 nan 8.250 nan 0.000 0.443 261 L N 0.890 122.227 121.223 0.189 0.000 2.017 261 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 261 L C 1.992 178.942 176.870 0.134 0.000 1.073 261 L CA 1.448 56.347 54.840 0.099 0.000 0.745 261 L CB -0.391 41.697 42.059 0.049 0.000 0.894 261 L HN -0.037 nan 8.230 nan 0.000 0.432 262 V N 0.015 120.010 119.914 0.135 0.000 2.295 262 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 262 V C 2.250 178.389 176.094 0.075 0.000 1.049 262 V CA 2.021 64.410 62.300 0.148 0.000 1.024 262 V CB -0.765 31.099 31.823 0.068 0.000 0.648 262 V HN 0.493 nan 8.190 nan 0.000 0.447 263 D N -0.159 120.242 120.400 0.003 0.000 2.117 263 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 263 D C 1.928 178.192 176.300 -0.060 0.000 0.982 263 D CA 1.297 55.275 54.000 -0.036 0.000 0.828 263 D CB -0.344 40.399 40.800 -0.096 0.000 0.967 263 D HN 0.393 nan 8.370 nan 0.000 0.464 264 D N -0.415 119.882 120.400 -0.171 0.000 2.117 264 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 264 D C 1.771 178.111 176.300 0.066 0.000 0.982 264 D CA 0.394 54.167 54.000 -0.379 0.000 0.828 264 D CB -0.383 39.868 40.800 -0.914 0.000 0.967 264 D HN 0.148 nan 8.370 nan 0.000 0.464 265 F N 1.453 121.409 119.950 0.009 0.000 2.186 265 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 265 F C 2.408 178.267 175.800 0.098 0.000 1.090 265 F CA 1.169 59.229 58.000 0.100 0.000 1.307 265 F CB -0.191 38.891 39.000 0.136 0.000 1.019 265 F HN -0.112 nan 8.300 nan 0.000 0.489 266 Q N -0.455 119.349 119.800 0.006 0.000 2.045 266 Q HA -0.309 4.031 4.340 -0.000 0.000 0.206 266 Q C 2.343 178.349 176.000 0.010 0.000 0.991 266 Q CA 2.455 58.233 55.803 -0.040 0.000 0.851 266 Q CB -0.675 28.076 28.738 0.023 0.000 0.911 266 Q HN 0.498 nan 8.270 nan 0.000 0.418 267 F N 0.314 120.241 119.950 -0.040 0.000 2.102 267 F HA -0.223 4.304 4.527 0.000 0.000 0.298 267 F C 1.948 177.768 175.800 0.033 0.000 1.105 267 F CA 1.462 59.477 58.000 0.024 0.000 1.239 267 F CB -0.243 38.799 39.000 0.070 0.000 0.991 267 F HN 0.192 nan 8.300 nan 0.000 0.474 268 I N -0.587 120.055 120.570 0.120 0.000 2.617 268 I HA -0.140 4.030 4.170 -0.000 0.000 0.256 268 I C 2.034 177.992 176.117 -0.264 0.000 1.167 268 I CA 0.907 62.182 61.300 -0.042 0.000 1.469 268 I CB -0.731 37.389 38.000 0.201 0.000 1.098 268 I HN 0.270 nan 8.210 nan 0.000 0.436 269 F N 0.121 119.731 119.950 -0.565 0.000 2.146 269 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 269 F C 2.134 177.754 175.800 -0.299 0.000 1.096 269 F CA 1.595 59.267 58.000 -0.546 0.000 1.275 269 F CB -0.349 38.157 39.000 -0.824 0.000 1.008 269 F HN 0.118 nan 8.300 nan 0.000 0.480 270 L N 1.075 122.197 121.223 -0.168 0.000 2.017 270 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 270 L C 2.487 179.160 176.870 -0.329 0.000 1.073 270 L CA 2.136 56.846 54.840 -0.217 0.000 0.745 270 L CB -1.493 40.471 42.059 -0.158 0.000 0.894 270 L HN 0.176 nan 8.230 nan 0.000 0.432 271 A N -0.464 122.140 122.820 -0.360 0.000 1.908 271 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 271 A C 2.288 179.821 177.584 -0.084 0.000 1.181 271 A CA 2.183 54.082 52.037 -0.229 0.000 0.627 271 A CB -0.995 17.899 19.000 -0.176 0.000 0.818 271 A HN 0.529 nan 8.150 nan 0.000 0.445 272 L N -0.200 120.932 121.223 -0.152 0.000 2.046 272 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 272 L C 2.901 179.675 176.870 -0.161 0.000 1.077 272 L CA 1.827 56.613 54.840 -0.089 0.000 0.747 272 L CB -0.867 41.100 42.059 -0.153 0.000 0.896 272 L HN 0.659 nan 8.230 nan 0.000 0.432 273 T N -3.727 110.636 114.554 -0.318 0.000 3.113 273 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 273 T C 1.457 176.065 174.700 -0.153 0.000 1.143 273 T CA 0.744 62.697 62.100 -0.244 0.000 1.090 273 T CB -0.079 68.614 68.868 -0.292 0.000 0.922 273 T HN 0.422 nan 8.240 nan 0.000 0.521 274 Q N 0.079 119.781 119.800 -0.163 0.000 2.219 274 Q HA 0.390 4.730 4.340 -0.000 0.000 0.209 274 Q C -0.028 175.911 176.000 -0.101 0.000 0.854 274 Q CA -0.314 55.398 55.803 -0.152 0.000 0.960 274 Q CB 0.354 28.953 28.738 -0.231 0.000 1.116 274 Q HN 0.520 nan 8.270 nan 0.000 0.500 275 L N 0.557 121.740 121.223 -0.067 0.000 2.490 275 L HA 0.063 4.403 4.340 -0.000 0.000 0.274 275 L C 1.199 178.041 176.870 -0.046 0.000 1.201 275 L CA 0.847 55.656 54.840 -0.053 0.000 0.869 275 L CB 0.305 42.353 42.059 -0.018 0.000 1.123 275 L HN 0.469 nan 8.230 nan 0.000 0.484 276 G N 1.562 110.330 108.800 -0.054 0.000 2.179 276 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.260 276 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.260 276 G C 0.133 175.020 174.900 -0.022 0.000 0.977 276 G CA -0.283 44.797 45.100 -0.032 0.000 0.641 276 G HN 0.519 nan 8.290 nan 0.000 0.533 277 Q N -0.076 119.699 119.800 -0.042 0.000 2.445 277 Q HA 0.564 4.904 4.340 -0.000 0.000 0.281 277 Q C -1.340 174.626 176.000 -0.056 0.000 1.101 277 Q CA -0.803 54.977 55.803 -0.040 0.000 0.833 277 Q CB 1.688 30.398 28.738 -0.048 0.000 1.416 277 Q HN 0.231 nan 8.270 nan 0.000 0.451 278 D N 0.948 121.321 120.400 -0.045 0.000 2.373 278 D HA 0.276 4.916 4.640 -0.000 0.000 0.227 278 D C -1.858 174.402 176.300 -0.067 0.000 1.091 278 D CA -2.073 51.897 54.000 -0.050 0.000 0.840 278 D CB 1.460 42.244 40.800 -0.027 0.000 1.060 278 D HN 0.007 nan 8.370 nan 0.000 0.502 279 P HA -0.106 nan 4.420 nan 0.000 0.216 279 P C 0.857 178.109 177.300 -0.080 0.000 1.150 279 P CA 0.847 63.854 63.100 -0.155 0.000 0.843 279 P CB 0.308 31.896 31.700 -0.187 0.000 0.787 280 N N -0.852 117.822 118.700 -0.042 0.000 2.512 280 N HA -0.015 4.725 4.740 -0.000 0.000 0.183 280 N C 1.254 176.769 175.510 0.009 0.000 1.073 280 N CA 0.896 53.942 53.050 -0.006 0.000 0.911 280 N CB -0.213 38.271 38.487 -0.006 0.000 0.964 280 N HN 0.122 nan 8.380 nan 0.000 0.447 281 A N -0.026 122.795 122.820 0.001 0.000 2.387 281 A HA 0.285 4.605 4.320 -0.000 0.000 0.234 281 A C 0.831 178.429 177.584 0.023 0.000 1.253 281 A CA -0.146 51.898 52.037 0.012 0.000 0.894 281 A CB 0.120 19.123 19.000 0.005 0.000 0.963 281 A HN 0.075 nan 8.150 nan 0.000 0.508 282 M N -0.372 119.253 119.600 0.041 0.000 2.573 282 M HA 0.351 4.831 4.480 -0.000 0.000 0.309 282 M C -0.519 175.853 176.300 0.120 0.000 1.202 282 M CA -0.149 55.197 55.300 0.077 0.000 0.975 282 M CB 1.668 34.326 32.600 0.097 0.000 1.600 282 M HN -0.004 nan 8.290 nan 0.000 0.479 283 T N 0.355 114.929 114.554 0.034 0.000 2.795 283 T HA 0.185 4.535 4.350 -0.000 0.000 0.282 283 T C -0.810 173.687 174.700 -0.338 0.000 0.980 283 T CA -0.532 61.517 62.100 -0.085 0.000 1.012 283 T CB 0.805 69.613 68.868 -0.100 0.000 0.936 283 T HN 0.465 nan 8.240 nan 0.000 0.457 284 D N 1.876 121.976 120.400 -0.500 0.000 2.365 284 D HA 0.172 4.812 4.640 -0.000 0.000 0.237 284 D C -0.099 175.824 176.300 -0.628 0.000 1.190 284 D CA -0.675 52.687 54.000 -1.064 0.000 0.867 284 D CB 0.233 40.484 40.800 -0.916 0.000 1.050 284 D HN 0.487 nan 8.370 nan 0.000 0.491 285 c N 2.986 121.196 118.600 -0.650 0.000 2.647 285 c HA 0.170 4.740 4.570 -0.000 0.000 0.296 285 c C 2.086 176.082 174.090 -0.157 0.000 1.403 285 c CA -0.399 55.726 56.329 -0.338 0.000 1.781 285 c CB -1.335 40.972 42.510 -0.338 0.000 2.464 285 c HN 0.591 nan 8.230 nan 0.000 0.559 286 S N 1.455 117.018 115.700 -0.229 0.000 2.419 286 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 286 S C 1.423 176.013 174.600 -0.018 0.000 1.019 286 S CA 1.385 59.544 58.200 -0.069 0.000 0.982 286 S CB -0.189 62.956 63.200 -0.091 0.000 0.789 286 S HN 0.668 nan 8.310 nan 0.000 0.490 287 D N 1.039 121.425 120.400 -0.024 0.000 2.309 287 D HA -0.028 4.612 4.640 -0.000 0.000 0.212 287 D C 1.749 178.090 176.300 0.067 0.000 0.968 287 D CA 0.484 54.506 54.000 0.037 0.000 0.882 287 D CB -0.156 40.683 40.800 0.065 0.000 0.918 287 D HN 0.263 nan 8.370 nan 0.000 0.503 288 V N 1.204 121.090 119.914 -0.047 0.000 2.548 288 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 288 V C 1.205 177.279 176.094 -0.034 0.000 1.055 288 V CA 0.441 62.585 62.300 -0.260 0.000 1.065 288 V CB -0.026 31.554 31.823 -0.404 0.000 0.681 288 V HN 0.116 nan 8.190 nan 0.000 0.462 289 I N 1.828 122.397 120.570 -0.002 0.000 2.618 289 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 289 I C -1.947 174.158 176.117 -0.021 0.000 1.146 289 I CA -2.583 58.681 61.300 -0.060 0.000 1.425 289 I CB -0.378 37.573 38.000 -0.083 0.000 1.383 289 I HN 0.134 nan 8.210 nan 0.000 0.562 290 P HA 0.084 nan 4.420 nan 0.000 0.270 290 P C -0.453 176.830 177.300 -0.029 0.000 1.223 290 P CA -0.337 62.759 63.100 -0.006 0.000 0.785 290 P CB 0.436 32.120 31.700 -0.026 0.000 0.923 291 Q N 0.579 120.374 119.800 -0.009 0.000 2.313 291 Q HA 0.192 4.532 4.340 -0.000 0.000 0.266 291 Q C -0.044 175.932 176.000 -0.039 0.000 0.989 291 Q CA 0.163 55.955 55.803 -0.019 0.000 0.890 291 Q CB 0.349 29.084 28.738 -0.004 0.000 1.200 291 Q HN 0.435 nan 8.270 nan 0.000 0.396 292 S N 2.074 117.742 115.700 -0.054 0.000 2.592 292 S HA 0.151 4.621 4.470 -0.000 0.000 0.271 292 S C -0.121 174.459 174.600 -0.034 0.000 1.326 292 S CA -0.578 57.584 58.200 -0.063 0.000 1.024 292 S CB 0.557 63.705 63.200 -0.088 0.000 0.921 292 S HN 0.461 nan 8.310 nan 0.000 0.527 293 K N 1.741 122.126 120.400 -0.025 0.000 2.095 293 K HA 0.596 4.916 4.320 -0.000 0.000 0.252 293 K C -2.928 173.679 176.600 0.012 0.000 0.977 293 K CA -1.959 54.325 56.287 -0.005 0.000 0.900 293 K CB 0.411 32.909 32.500 -0.003 0.000 1.060 293 K HN 0.225 nan 8.250 nan 0.000 0.449 294 P HA 0.166 nan 4.420 nan 0.000 0.276 294 P C -0.411 176.921 177.300 0.054 0.000 1.261 294 P CA -0.456 62.665 63.100 0.036 0.000 0.800 294 P CB 0.581 32.297 31.700 0.027 0.000 1.066 295 I N 2.246 122.865 120.570 0.083 0.000 2.471 295 I HA 0.149 4.319 4.170 -0.000 0.000 0.286 295 I C -1.433 174.724 176.117 0.068 0.000 1.079 295 I CA -1.676 59.679 61.300 0.091 0.000 1.398 295 I CB 0.242 38.329 38.000 0.146 0.000 1.403 295 I HN 0.282 nan 8.210 nan 0.000 0.530 296 P HA 0.429 nan 4.420 nan 0.000 0.276 296 P C 0.113 177.433 177.300 0.033 0.000 1.261 296 P CA 0.113 63.234 63.100 0.035 0.000 0.800 296 P CB 0.750 32.465 31.700 0.025 0.000 1.066 297 G N 1.129 109.942 108.800 0.022 0.000 2.698 297 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.225 297 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.225 297 G C -0.233 174.678 174.900 0.019 0.000 1.345 297 G CA 0.015 45.123 45.100 0.014 0.000 0.871 297 G HN 0.869 nan 8.290 nan 0.000 0.540 298 N N -0.712 117.994 118.700 0.009 0.000 2.365 298 N HA 0.277 5.016 4.740 -0.000 0.000 0.257 298 N C 0.427 175.944 175.510 0.012 0.000 1.287 298 N CA -0.286 52.774 53.050 0.016 0.000 0.882 298 N CB 0.041 38.534 38.487 0.010 0.000 1.250 298 N HN 0.681 nan 8.380 nan 0.000 0.507 299 L N 0.606 121.830 121.223 0.002 0.000 2.453 299 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 299 L C -1.563 175.345 176.870 0.063 0.000 1.179 299 L CA -1.585 53.243 54.840 -0.019 0.000 0.813 299 L CB -0.039 41.953 42.059 -0.111 0.000 1.110 299 L HN -0.010 nan 8.230 nan 0.000 0.466 300 P HA -0.022 nan 4.420 nan 0.000 0.270 300 P C 0.299 177.752 177.300 0.255 0.000 1.223 300 P CA -0.275 62.923 63.100 0.163 0.000 0.785 300 P CB 0.461 32.251 31.700 0.149 0.000 0.923 301 F N 0.916 120.925 119.950 0.097 0.000 2.102 301 F HA -0.079 4.447 4.527 -0.000 0.000 0.298 301 F C 0.566 176.393 175.800 0.045 0.000 1.105 301 F CA 1.425 59.467 58.000 0.070 0.000 1.239 301 F CB -0.044 38.961 39.000 0.009 0.000 0.991 301 F HN 0.148 nan 8.300 nan 0.000 0.474 302 S N -0.267 115.347 115.700 -0.143 0.000 2.532 302 S HA 0.621 5.091 4.470 -0.000 0.000 0.301 302 S C -1.121 173.384 174.600 -0.158 0.000 1.083 302 S CA -0.343 57.612 58.200 -0.408 0.000 1.025 302 S CB 1.900 64.915 63.200 -0.308 0.000 1.056 302 S HN 0.238 nan 8.310 nan 0.000 0.494 303 F N -0.904 118.931 119.950 -0.193 0.000 2.741 303 F HA 0.744 5.271 4.527 -0.000 0.000 0.313 303 F C -1.714 173.992 175.800 -0.157 0.000 1.153 303 F CA -1.709 56.194 58.000 -0.163 0.000 0.931 303 F CB 0.411 39.373 39.000 -0.062 0.000 1.335 303 F HN 0.326 nan 8.300 nan 0.000 0.460 304 F N 2.116 122.234 119.950 0.280 0.000 2.396 304 F HA 0.609 5.136 4.527 -0.000 0.000 0.343 304 F C -2.098 173.899 175.800 0.329 0.000 1.104 304 F CA -2.551 55.565 58.000 0.193 0.000 1.161 304 F CB 0.559 39.632 39.000 0.122 0.000 1.146 304 F HN 0.161 nan 8.300 nan 0.000 0.522 305 P HA 0.106 nan 4.420 nan 0.000 0.270 305 P C -0.814 176.617 177.300 0.220 0.000 1.223 305 P CA -0.431 62.878 63.100 0.349 0.000 0.785 305 P CB 0.366 32.206 31.700 0.233 0.000 0.923 306 A N 1.467 124.367 122.820 0.132 0.000 2.561 306 A HA 0.381 4.701 4.320 -0.000 0.000 0.234 306 A C 1.516 179.133 177.584 0.056 0.000 1.055 306 A CA 0.842 52.925 52.037 0.076 0.000 0.756 306 A CB -1.570 17.453 19.000 0.037 0.000 0.986 306 A HN 0.908 nan 8.150 nan 0.000 0.505 307 G N 0.939 109.758 108.800 0.032 0.000 2.159 307 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.256 307 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.256 307 G C 0.115 174.994 174.900 -0.034 0.000 0.977 307 G CA 0.710 45.809 45.100 -0.000 0.000 0.652 307 G HN 0.777 nan 8.290 nan 0.000 0.531 308 K N 0.645 121.022 120.400 -0.038 0.000 2.318 308 K HA 0.793 5.113 4.320 -0.000 0.000 0.249 308 K C 0.331 176.727 176.600 -0.341 0.000 0.942 308 K CA 0.188 56.379 56.287 -0.160 0.000 0.808 308 K CB 2.071 34.507 32.500 -0.107 0.000 1.189 308 K HN 0.565 nan 8.250 nan 0.000 0.428 309 T N -2.568 111.638 114.554 -0.580 0.000 2.804 309 T HA 0.315 4.665 4.350 -0.000 0.000 0.290 309 T C 1.079 175.135 174.700 -1.073 0.000 1.099 309 T CA -0.744 60.901 62.100 -0.758 0.000 1.011 309 T CB 0.656 69.347 68.868 -0.295 0.000 1.291 309 T HN 0.290 nan 8.240 nan 0.000 0.523 310 I N 1.085 121.262 120.570 -0.655 0.000 2.423 310 I HA -0.045 4.125 4.170 -0.000 0.000 0.254 310 I C 2.186 178.147 176.117 -0.260 0.000 1.151 310 I CA 1.581 62.701 61.300 -0.301 0.000 1.421 310 I CB -0.491 37.547 38.000 0.064 0.000 1.079 310 I HN 0.644 nan 8.210 nan 0.000 0.431 311 K N 0.039 120.301 120.400 -0.231 0.000 2.280 311 K HA -0.131 4.189 4.320 -0.000 0.000 0.202 311 K C 1.049 177.538 176.600 -0.185 0.000 1.047 311 K CA 1.232 57.421 56.287 -0.163 0.000 0.942 311 K CB -0.220 32.204 32.500 -0.127 0.000 0.739 311 K HN 0.462 nan 8.250 nan 0.000 0.457 312 D N 0.561 120.801 120.400 -0.267 0.000 2.350 312 D HA 0.000 4.640 4.640 -0.000 0.000 0.213 312 D C 0.174 176.339 176.300 -0.224 0.000 1.031 312 D CA 0.262 54.127 54.000 -0.226 0.000 0.861 312 D CB 0.433 41.082 40.800 -0.251 0.000 0.926 312 D HN -0.122 nan 8.370 nan 0.000 0.520 313 V N 1.888 121.634 119.914 -0.280 0.000 2.530 313 V HA 0.031 4.151 4.120 -0.000 0.000 0.282 313 V C 0.612 176.592 176.094 -0.191 0.000 1.048 313 V CA -0.212 61.905 62.300 -0.305 0.000 0.997 313 V CB 1.342 32.842 31.823 -0.538 0.000 0.987 313 V HN -0.047 nan 8.190 nan 0.000 0.477 314 E N 3.684 123.794 120.200 -0.150 0.000 1.936 314 E HA 0.193 4.543 4.350 -0.000 0.000 0.267 314 E C -0.283 176.275 176.600 -0.071 0.000 1.076 314 E CA -0.437 55.905 56.400 -0.097 0.000 0.870 314 E CB 0.816 30.462 29.700 -0.090 0.000 1.093 314 E HN 0.592 nan 8.360 nan 0.000 0.411 315 Q N 1.895 121.670 119.800 -0.041 0.000 2.255 315 Q HA 0.037 4.377 4.340 -0.000 0.000 0.280 315 Q C -0.002 176.007 176.000 0.015 0.000 1.068 315 Q CA 0.377 56.195 55.803 0.025 0.000 0.911 315 Q CB 0.936 29.700 28.738 0.043 0.000 1.157 315 Q HN 0.604 nan 8.270 nan 0.000 0.380 316 A N 3.518 126.358 122.820 0.033 0.000 2.340 316 A HA 0.145 4.465 4.320 -0.000 0.000 0.213 316 A C 0.111 177.707 177.584 0.020 0.000 1.299 316 A CA 0.068 52.103 52.037 -0.002 0.000 0.994 316 A CB 0.057 19.026 19.000 -0.053 0.000 1.132 316 A HN 0.749 nan 8.150 nan 0.000 0.519 317 c N 1.452 120.086 118.600 0.056 0.000 2.464 317 c HA 0.613 5.183 4.570 -0.000 0.000 0.370 317 c C 1.802 175.914 174.090 0.037 0.000 1.267 317 c CA 0.057 56.415 56.329 0.048 0.000 1.781 317 c CB -0.258 42.291 42.510 0.064 0.000 2.431 317 c HN 0.588 nan 8.230 nan 0.000 0.556 318 A N 3.799 126.632 122.820 0.021 0.000 2.119 318 A HA 0.014 4.333 4.320 -0.000 0.000 0.216 318 A C 2.017 179.609 177.584 0.014 0.000 1.152 318 A CA 1.043 53.090 52.037 0.016 0.000 0.708 318 A CB -0.234 18.771 19.000 0.009 0.000 0.805 318 A HN 0.943 nan 8.150 nan 0.000 0.460 319 E N -1.039 119.168 120.200 0.010 0.000 2.230 319 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 319 E C 0.307 176.908 176.600 0.002 0.000 0.987 319 E CA 0.965 57.367 56.400 0.003 0.000 0.841 319 E CB 0.212 29.909 29.700 -0.005 0.000 0.783 319 E HN 0.409 nan 8.360 nan 0.000 0.481 320 T N 1.199 115.758 114.554 0.007 0.000 3.032 320 T HA 0.229 4.579 4.350 -0.000 0.000 0.312 320 T C -2.971 171.745 174.700 0.027 0.000 1.078 320 T CA -2.296 59.806 62.100 0.002 0.000 1.028 320 T CB 1.807 70.660 68.868 -0.025 0.000 1.091 320 T HN -0.227 nan 8.240 nan 0.000 0.457 321 P HA 0.231 nan 4.420 nan 0.000 0.271 321 P C -0.239 177.132 177.300 0.118 0.000 1.218 321 P CA -0.474 62.679 63.100 0.088 0.000 0.780 321 P CB 0.343 32.088 31.700 0.075 0.000 0.901 322 F N 4.660 124.636 119.950 0.043 0.000 2.607 322 F HA 0.113 4.640 4.527 -0.000 0.000 0.374 322 F C -1.640 174.192 175.800 0.054 0.000 1.104 322 F CA -1.090 56.945 58.000 0.058 0.000 1.296 322 F CB -0.338 38.721 39.000 0.100 0.000 1.085 322 F HN 0.270 nan 8.300 nan 0.000 0.584 323 P HA 0.069 nan 4.420 nan 0.000 0.269 323 P C -0.943 176.442 177.300 0.141 0.000 1.209 323 P CA -0.278 62.774 63.100 -0.079 0.000 0.776 323 P CB 0.319 31.870 31.700 -0.249 0.000 0.876 324 T N 0.994 115.624 114.554 0.126 0.000 2.776 324 T HA 0.420 4.770 4.350 -0.000 0.000 0.292 324 T C 0.211 174.975 174.700 0.106 0.000 0.921 324 T CA -0.534 61.680 62.100 0.190 0.000 1.038 324 T CB -0.718 68.234 68.868 0.141 0.000 0.910 324 T HN 0.121 nan 8.240 nan 0.000 0.536 325 L N 2.482 123.731 121.223 0.044 0.000 2.387 325 L HA 0.532 4.872 4.340 -0.000 0.000 0.266 325 L C 1.241 178.170 176.870 0.099 0.000 1.059 325 L CA -1.168 53.607 54.840 -0.108 0.000 0.801 325 L CB 1.301 42.996 42.059 -0.607 0.000 1.223 325 L HN 0.587 nan 8.230 nan 0.000 0.456 326 T N -0.172 114.442 114.554 0.100 0.000 2.899 326 T HA 0.205 4.555 4.350 -0.000 0.000 0.295 326 T C -0.134 174.722 174.700 0.260 0.000 1.033 326 T CA -0.227 61.971 62.100 0.165 0.000 1.084 326 T CB 0.540 69.474 68.868 0.111 0.000 0.979 326 T HN 0.586 nan 8.240 nan 0.000 0.532 327 T N 5.249 119.955 114.554 0.254 0.000 2.794 327 T HA 0.448 4.798 4.350 -0.000 0.000 0.280 327 T C 0.150 174.933 174.700 0.137 0.000 0.987 327 T CA -0.572 61.689 62.100 0.269 0.000 0.993 327 T CB 0.568 69.563 68.868 0.212 0.000 0.939 327 T HN 0.492 nan 8.240 nan 0.000 0.449 328 L N 5.672 126.957 121.223 0.102 0.000 2.483 328 L HA 0.238 4.577 4.340 -0.000 0.000 0.276 328 L C -1.471 175.405 176.870 0.010 0.000 1.213 328 L CA -1.534 53.296 54.840 -0.017 0.000 0.843 328 L CB 0.038 42.038 42.059 -0.098 0.000 1.107 328 L HN 0.384 nan 8.230 nan 0.000 0.487 329 P HA 0.334 nan 4.420 nan 0.000 0.276 329 P C 0.018 177.316 177.300 -0.004 0.000 1.252 329 P CA 0.167 63.266 63.100 -0.002 0.000 0.802 329 P CB 1.349 33.043 31.700 -0.010 0.000 1.035 330 G N 0.849 109.649 108.800 0.001 0.000 2.660 330 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.247 330 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.247 330 G C -2.873 172.028 174.900 0.003 0.000 1.328 330 G CA -0.603 44.496 45.100 -0.001 0.000 0.884 330 G HN 0.675 nan 8.290 nan 0.000 0.531 331 P HA 0.371 nan 4.420 nan 0.000 0.276 331 P C -0.196 177.109 177.300 0.008 0.000 1.244 331 P CA -0.404 62.698 63.100 0.003 0.000 0.801 331 P CB 0.916 32.617 31.700 0.001 0.000 1.006 332 E N 0.127 120.332 120.200 0.008 0.000 2.415 332 E HA 0.102 4.452 4.350 -0.000 0.000 0.263 332 E C -0.587 176.021 176.600 0.014 0.000 0.995 332 E CA 0.246 56.655 56.400 0.015 0.000 0.915 332 E CB 0.363 30.068 29.700 0.008 0.000 0.951 332 E HN 0.300 nan 8.360 nan 0.000 0.449 333 T N 2.467 117.033 114.554 0.020 0.000 2.885 333 T HA 0.297 4.647 4.350 -0.000 0.000 0.285 333 T C -0.483 174.230 174.700 0.021 0.000 1.019 333 T CA -0.609 61.501 62.100 0.017 0.000 1.010 333 T CB 1.063 69.940 68.868 0.015 0.000 1.022 333 T HN 0.529 nan 8.240 nan 0.000 0.466 334 S N 2.640 118.350 115.700 0.016 0.000 2.592 334 S HA 0.503 4.973 4.470 -0.000 0.000 0.271 334 S C 0.017 174.629 174.600 0.020 0.000 1.326 334 S CA -0.782 57.428 58.200 0.017 0.000 1.024 334 S CB 0.723 63.930 63.200 0.012 0.000 0.921 334 S HN 0.548 nan 8.310 nan 0.000 0.527 335 V N 3.390 123.316 119.914 0.021 0.000 2.488 335 V HA 0.175 4.295 4.120 -0.000 0.000 0.277 335 V C 0.622 176.723 176.094 0.012 0.000 1.046 335 V CA -0.457 61.856 62.300 0.021 0.000 0.986 335 V CB 0.452 32.288 31.823 0.023 0.000 0.989 335 V HN 0.891 nan 8.190 nan 0.000 0.475 336 Q N 4.600 124.408 119.800 0.013 0.000 2.352 336 Q HA 0.313 4.653 4.340 -0.000 0.000 0.260 336 Q C 0.312 176.315 176.000 0.004 0.000 0.976 336 Q CA -0.403 55.405 55.803 0.008 0.000 0.881 336 Q CB 0.978 29.721 28.738 0.008 0.000 1.235 336 Q HN 0.750 nan 8.270 nan 0.000 0.419 337 R N 1.437 121.937 120.500 -0.001 0.000 2.637 337 R HA 0.426 4.766 4.340 -0.000 0.000 0.269 337 R C -0.429 175.872 176.300 0.002 0.000 1.089 337 R CA -0.435 55.661 56.100 -0.006 0.000 1.177 337 R CB 0.392 30.685 30.300 -0.011 0.000 1.091 337 R HN 0.517 nan 8.270 nan 0.000 0.540 338 I N 1.696 122.270 120.570 0.006 0.000 2.428 338 I HA 0.260 4.430 4.170 -0.000 0.000 0.279 338 I C -2.221 173.902 176.117 0.009 0.000 1.040 338 I CA -2.662 58.649 61.300 0.018 0.000 1.171 338 I CB 1.656 39.695 38.000 0.065 0.000 1.312 338 I HN 0.345 nan 8.210 nan 0.000 0.470 339 P HA 0.142 nan 4.420 nan 0.000 0.267 339 P C -2.301 175.000 177.300 0.001 0.000 1.205 339 P CA -0.734 62.365 63.100 -0.002 0.000 0.765 339 P CB -0.063 31.632 31.700 -0.007 0.000 0.828 340 P HA 0.413 nan 4.420 nan 0.000 0.280 340 P C -2.657 174.657 177.300 0.024 0.000 1.272 340 P CA -2.042 61.071 63.100 0.022 0.000 0.819 340 P CB -0.424 31.292 31.700 0.027 0.000 1.122 341 P HA 0.300 nan 4.420 nan 0.000 0.272 341 P C -2.392 174.931 177.300 0.039 0.000 1.240 341 P CA -1.375 61.754 63.100 0.047 0.000 0.791 341 P CB -1.484 30.261 31.700 0.075 0.000 0.978 342 P HA 0.072 nan 4.420 nan 0.000 0.265 342 P C 0.930 178.248 177.300 0.030 0.000 1.187 342 P CA 1.219 64.337 63.100 0.029 0.000 0.766 342 P CB -0.041 31.675 31.700 0.027 0.000 0.820 343 G N 0.606 109.421 108.800 0.025 0.000 2.176 343 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.253 343 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.253 343 G C 0.507 175.422 174.900 0.025 0.000 0.979 343 G CA 0.083 45.197 45.100 0.024 0.000 0.641 343 G HN 0.849 nan 8.290 nan 0.000 0.530 344 A N 0.000 122.835 122.820 0.026 0.000 2.254 344 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 344 A CA 0.000 52.051 52.037 0.024 0.000 0.836 344 A CB 0.000 19.016 19.000 0.027 0.000 0.831 344 A HN 0.000 nan 8.150 nan 0.000 0.486