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 3iyl_1_V DATA FIRST_RESID 2 DATA SEQUENCE AQRQFFGLTY NFYGQPAPLF DLNDLQELAG CYARPWTSRF SHLAISTGSL DATA SEQUENCE PVWSARYPSV ASRNIVVNTL LGAHLNPFAG GQITSHQGIT WRDPVLSSLA DATA SEQUENCE PVPAIQPPPV WAVAENVLLD SNNYPTYVLN LSSMWPINQD VHIMTMWALS DATA SEQUENCE DQGPIYHLEV PVDPMPAATT AALMAYTGVP IAHLAQTAYR FAGQLPQSPD DATA SEQUENCE STMVSTIRWL SAIWFGSLTG RLNRSRTCNG FYFEFAKPAL NPDQAVLKWN DATA SEQUENCE DGARAAPPAA AQSSYIRCIS PHWQHQIVEV AGALMSQSVT AVTGLPALID DATA SEQUENCE EATLPAWSQG VANLTGNGQG VVPCLDYNPV PMAAARHLQW RQDGLITAAQ DATA SEQUENCE EAQLNNDYTA YALTIERHLT AMLVANPIAA GRMPIQPFNA ADFGQAGQTA DATA SEQUENCE AAVALAQAMF V 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.569 177.584 -0.025 0.000 1.274 2 A CA 0.000 51.970 52.037 -0.112 0.000 0.836 2 A CB 0.000 18.834 19.000 -0.277 0.000 0.831 3 Q N 0.217 120.035 119.800 0.030 0.000 2.327 3 Q HA 0.598 4.938 4.340 -0.000 0.000 0.265 3 Q C -1.908 174.261 176.000 0.283 0.000 0.993 3 Q CA -0.284 55.610 55.803 0.151 0.000 0.885 3 Q CB 1.445 30.302 28.738 0.199 0.000 1.379 3 Q HN 0.873 nan 8.270 nan 0.000 0.408 4 R N 3.092 123.721 120.500 0.216 0.000 3.039 4 R HA 0.455 4.795 4.340 -0.000 0.000 0.264 4 R C -1.345 175.049 176.300 0.157 0.000 1.708 4 R CA -0.530 55.762 56.100 0.320 0.000 1.134 4 R CB 0.528 31.000 30.300 0.287 0.000 1.386 4 R HN 0.658 nan 8.270 nan 0.000 0.477 5 Q N 2.541 122.361 119.800 0.034 0.000 3.661 5 Q HA 0.153 4.492 4.340 -0.000 0.000 0.150 5 Q C -1.809 173.829 176.000 -0.604 0.000 0.645 5 Q CA -0.281 55.325 55.803 -0.328 0.000 0.955 5 Q CB -0.112 28.469 28.738 -0.262 0.000 1.530 5 Q HN 0.552 nan 8.270 nan 0.000 0.381 6 F N -0.064 119.551 119.950 -0.558 0.000 2.421 6 F HA 0.680 5.207 4.527 -0.000 0.000 0.358 6 F C -0.903 174.603 175.800 -0.490 0.000 1.115 6 F CA -0.898 56.805 58.000 -0.495 0.000 1.160 6 F CB 0.170 38.933 39.000 -0.394 0.000 1.123 6 F HN 0.004 nan 8.300 nan 0.000 0.508 7 F N 3.572 123.507 119.950 -0.024 0.000 2.390 7 F HA 0.600 5.127 4.527 -0.000 0.000 0.361 7 F C 0.984 176.818 175.800 0.057 0.000 1.124 7 F CA -0.450 57.519 58.000 -0.051 0.000 1.149 7 F CB 0.898 39.889 39.000 -0.015 0.000 1.160 7 F HN 0.846 nan 8.300 nan 0.000 0.501 8 G N 3.214 112.132 108.800 0.197 0.000 2.702 8 G HA2 0.717 4.677 3.960 -0.000 0.000 0.254 8 G HA3 0.717 4.677 3.960 -0.000 0.000 0.254 8 G C -1.572 173.435 174.900 0.178 0.000 1.380 8 G CA -0.668 44.556 45.100 0.207 0.000 1.042 8 G HN 0.520 nan 8.290 nan 0.000 0.557 9 L N 0.053 121.385 121.223 0.181 0.000 2.751 9 L HA 0.346 4.686 4.340 -0.000 0.000 0.261 9 L C -0.575 176.420 176.870 0.208 0.000 0.927 9 L CA -0.358 54.584 54.840 0.170 0.000 0.968 9 L CB 1.251 43.401 42.059 0.152 0.000 1.432 9 L HN 0.616 nan 8.230 nan 0.000 0.439 10 T N 3.644 118.318 114.554 0.200 0.000 2.918 10 T HA 0.246 4.596 4.350 -0.000 0.000 0.302 10 T C 0.030 174.905 174.700 0.293 0.000 1.045 10 T CA 0.250 62.499 62.100 0.248 0.000 1.114 10 T CB 0.308 69.318 68.868 0.237 0.000 0.965 10 T HN 0.392 nan 8.240 nan 0.000 0.540 11 Y N 2.020 122.417 120.300 0.161 0.000 2.652 11 Y HA -0.032 4.518 4.550 -0.000 0.000 0.344 11 Y C 1.302 177.270 175.900 0.114 0.000 1.254 11 Y CA -0.169 58.028 58.100 0.162 0.000 1.480 11 Y CB 0.495 39.071 38.460 0.193 0.000 1.345 11 Y HN 0.623 nan 8.280 nan 0.000 0.617 12 N N 1.215 119.794 118.700 -0.201 0.000 2.503 12 N HA 0.050 4.790 4.740 -0.000 0.000 0.267 12 N C -0.171 175.356 175.510 0.029 0.000 1.214 12 N CA -0.058 52.664 53.050 -0.547 0.000 0.959 12 N CB 0.393 37.751 38.487 -1.882 0.000 1.142 12 N HN 0.398 nan 8.380 nan 0.000 0.455 13 F N 1.539 121.297 119.950 -0.320 0.000 2.754 13 F HA 0.196 4.723 4.527 -0.000 0.000 0.297 13 F C 0.280 176.125 175.800 0.074 0.000 1.122 13 F CA -0.089 57.892 58.000 -0.031 0.000 1.400 13 F CB -1.041 37.941 39.000 -0.029 0.000 1.117 13 F HN 0.543 nan 8.300 nan 0.000 0.587 14 Y N -0.200 120.048 120.300 -0.087 0.000 4.409 14 Y HA -0.162 4.388 4.550 -0.000 0.000 0.228 14 Y C 1.645 177.539 175.900 -0.010 0.000 1.108 14 Y CA 0.587 58.632 58.100 -0.093 0.000 1.955 14 Y CB -1.618 36.809 38.460 -0.055 0.000 1.615 14 Y HN 0.224 nan 8.280 nan 0.000 0.665 15 G N -1.155 107.707 108.800 0.103 0.000 2.157 15 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.239 15 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.239 15 G C -0.119 174.848 174.900 0.111 0.000 0.982 15 G CA 0.077 45.230 45.100 0.089 0.000 0.650 15 G HN 0.372 nan 8.290 nan 0.000 0.527 16 Q N 0.017 119.913 119.800 0.161 0.000 2.227 16 Q HA 0.600 4.940 4.340 -0.000 0.000 0.245 16 Q C -0.784 175.313 176.000 0.162 0.000 0.926 16 Q CA -1.646 54.226 55.803 0.116 0.000 0.895 16 Q CB 1.211 29.986 28.738 0.063 0.000 1.230 16 Q HN 0.196 nan 8.270 nan 0.000 0.450 17 P HA -0.112 nan 4.420 nan 0.000 0.205 17 P C -0.830 176.571 177.300 0.167 0.000 1.193 17 P CA 1.364 64.531 63.100 0.112 0.000 0.929 17 P CB 0.063 31.791 31.700 0.047 0.000 0.772 18 A N -0.716 122.128 122.820 0.041 0.000 2.239 18 A HA 0.515 4.835 4.320 -0.000 0.000 0.303 18 A C -2.284 175.058 177.584 -0.403 0.000 1.114 18 A CA -1.586 50.444 52.037 -0.010 0.000 0.871 18 A CB -0.823 18.226 19.000 0.082 0.000 1.201 18 A HN 0.082 nan 8.150 nan 0.000 0.506 19 P HA 0.104 nan 4.420 nan 0.000 0.268 19 P C -0.557 176.699 177.300 -0.072 0.000 1.204 19 P CA 0.170 62.953 63.100 -0.528 0.000 0.768 19 P CB 0.268 31.966 31.700 -0.004 0.000 0.842 20 L N 5.454 126.632 121.223 -0.074 0.000 2.597 20 L HA 0.096 4.436 4.340 -0.000 0.000 0.261 20 L C 0.380 177.377 176.870 0.212 0.000 1.389 20 L CA 0.509 55.374 54.840 0.041 0.000 1.203 20 L CB -1.797 40.278 42.059 0.026 0.000 1.401 20 L HN 0.437 nan 8.230 nan 0.000 0.443 21 F N -0.803 119.098 119.950 -0.082 0.000 2.740 21 F HA 0.429 4.956 4.527 -0.000 0.000 0.312 21 F C -0.948 174.825 175.800 -0.045 0.000 1.121 21 F CA -1.521 56.438 58.000 -0.069 0.000 0.977 21 F CB 0.681 39.640 39.000 -0.067 0.000 1.265 21 F HN 0.093 nan 8.300 nan 0.000 0.443 22 D N 2.562 122.763 120.400 -0.331 0.000 2.538 22 D HA 0.293 4.933 4.640 -0.000 0.000 0.262 22 D C 0.731 176.816 176.300 -0.358 0.000 1.186 22 D CA -0.392 53.362 54.000 -0.410 0.000 1.090 22 D CB 0.234 40.903 40.800 -0.218 0.000 1.187 22 D HN 0.475 nan 8.370 nan 0.000 0.614 23 L N -0.287 120.800 121.223 -0.226 0.000 2.131 23 L HA 0.040 4.380 4.340 -0.000 0.000 0.206 23 L C 1.688 178.506 176.870 -0.087 0.000 1.087 23 L CA 1.135 55.886 54.840 -0.149 0.000 0.767 23 L CB -1.219 40.762 42.059 -0.131 0.000 0.917 23 L HN 0.400 nan 8.230 nan 0.000 0.441 24 N N 0.336 118.991 118.700 -0.076 0.000 2.364 24 N HA -0.183 4.557 4.740 -0.000 0.000 0.183 24 N C 1.118 176.610 175.510 -0.030 0.000 1.022 24 N CA 1.008 54.028 53.050 -0.051 0.000 0.883 24 N CB 0.008 38.466 38.487 -0.049 0.000 0.965 24 N HN 0.357 nan 8.380 nan 0.000 0.438 25 D N 0.711 121.115 120.400 0.006 0.000 2.264 25 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 25 D C 1.950 178.244 176.300 -0.010 0.000 0.966 25 D CA 0.252 54.280 54.000 0.048 0.000 0.864 25 D CB 0.106 41.008 40.800 0.169 0.000 0.933 25 D HN 0.175 nan 8.370 nan 0.000 0.499 26 L N 0.004 121.196 121.223 -0.052 0.000 2.109 26 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 26 L C 1.747 178.450 176.870 -0.278 0.000 1.086 26 L CA 1.136 55.865 54.840 -0.184 0.000 0.760 26 L CB -0.838 41.095 42.059 -0.210 0.000 0.910 26 L HN 0.101 nan 8.230 nan 0.000 0.437 27 Q N -0.477 119.203 119.800 -0.201 0.000 2.237 27 Q HA -0.015 4.325 4.340 -0.000 0.000 0.252 27 Q C 0.825 176.781 176.000 -0.072 0.000 0.877 27 Q CA -0.027 55.656 55.803 -0.199 0.000 1.011 27 Q CB 0.536 29.212 28.738 -0.104 0.000 1.118 27 Q HN 0.217 nan 8.270 nan 0.000 0.458 28 E N -0.859 119.308 120.200 -0.055 0.000 2.500 28 E HA 0.181 4.531 4.350 -0.000 0.000 0.217 28 E C -0.396 176.207 176.600 0.005 0.000 0.848 28 E CA -0.031 56.378 56.400 0.016 0.000 1.217 28 E CB 0.482 30.227 29.700 0.075 0.000 1.217 28 E HN 0.334 nan 8.360 nan 0.000 0.573 29 L N 1.753 122.949 121.223 -0.046 0.000 2.559 29 L HA 0.134 4.474 4.340 -0.000 0.000 0.282 29 L C 0.629 177.471 176.870 -0.047 0.000 1.232 29 L CA 0.030 54.824 54.840 -0.077 0.000 0.885 29 L CB 0.405 42.392 42.059 -0.120 0.000 1.131 29 L HN 0.138 nan 8.230 nan 0.000 0.498 30 A N 2.898 125.688 122.820 -0.051 0.000 2.346 30 A HA 0.590 4.910 4.320 -0.000 0.000 0.252 30 A C 0.961 178.568 177.584 0.038 0.000 1.089 30 A CA 0.455 52.495 52.037 0.006 0.000 0.797 30 A CB 0.311 19.325 19.000 0.024 0.000 1.047 30 A HN 1.074 nan 8.150 nan 0.000 0.494 31 G N -0.949 107.889 108.800 0.062 0.000 2.588 31 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 31 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 31 G C 0.473 175.427 174.900 0.089 0.000 1.211 31 G CA 0.316 45.463 45.100 0.079 0.000 0.958 31 G HN 2.138 nan 8.290 nan 0.000 0.543 32 C N 0.091 119.450 119.300 0.098 0.000 2.218 32 C HA 0.656 5.116 4.460 -0.000 0.000 0.353 32 C C 1.173 176.256 174.990 0.155 0.000 1.070 32 C CA -0.369 58.723 59.018 0.125 0.000 1.497 32 C CB -1.631 26.186 27.740 0.129 0.000 1.951 32 C HN 1.310 nan 8.230 nan 0.000 0.493 33 Y N 2.983 123.287 120.300 0.008 0.000 2.447 33 Y HA -0.499 4.051 4.550 -0.000 0.000 0.422 33 Y C 1.934 177.810 175.900 -0.039 0.000 0.962 33 Y CA 2.541 60.634 58.100 -0.012 0.000 2.677 33 Y CB -1.372 37.082 38.460 -0.009 0.000 0.964 33 Y HN 0.667 nan 8.280 nan 0.000 0.655 34 A N 0.830 123.385 122.820 -0.441 0.000 2.430 34 A HA 0.277 4.597 4.320 -0.000 0.000 0.243 34 A C 0.936 178.332 177.584 -0.314 0.000 1.254 34 A CA 0.329 52.047 52.037 -0.532 0.000 0.914 34 A CB -0.369 18.163 19.000 -0.780 0.000 0.998 34 A HN 0.412 nan 8.150 nan 0.000 0.515 35 R N 1.788 122.211 120.500 -0.130 0.000 2.345 35 R HA 0.132 4.472 4.340 -0.000 0.000 0.331 35 R C -1.624 174.589 176.300 -0.144 0.000 1.067 35 R CA -1.083 54.974 56.100 -0.071 0.000 0.962 35 R CB 0.610 30.975 30.300 0.108 0.000 0.987 35 R HN 0.171 nan 8.270 nan 0.000 0.451 36 P HA -0.130 nan 4.420 nan 0.000 0.225 36 P C -0.508 176.680 177.300 -0.186 0.000 1.156 36 P CA 0.637 63.506 63.100 -0.384 0.000 0.787 36 P CB 0.138 31.449 31.700 -0.648 0.000 0.802 37 W N 1.271 122.626 121.300 0.092 0.000 2.216 37 W HA 0.150 4.810 4.660 -0.000 0.000 0.326 37 W C 0.728 177.297 176.519 0.084 0.000 1.319 37 W CA -0.156 57.236 57.345 0.079 0.000 1.213 37 W CB -0.371 29.143 29.460 0.091 0.000 1.171 37 W HN -0.160 nan 8.180 nan 0.000 0.557 38 T N 0.289 115.066 114.554 0.371 0.000 4.194 38 T HA -0.291 4.059 4.350 -0.000 0.000 0.339 38 T C 0.692 175.585 174.700 0.322 0.000 0.757 38 T CA 0.991 63.262 62.100 0.284 0.000 1.931 38 T CB -1.621 67.349 68.868 0.169 0.000 1.886 38 T HN 0.567 nan 8.240 nan 0.000 0.878 39 S N 0.379 116.258 115.700 0.298 0.000 2.566 39 S HA 0.228 4.698 4.470 -0.000 0.000 0.166 39 S C 1.947 176.637 174.600 0.151 0.000 0.811 39 S CA 0.841 59.141 58.200 0.167 0.000 0.940 39 S CB 0.150 63.364 63.200 0.024 0.000 0.768 39 S HN 0.658 nan 8.310 nan 0.000 0.534 40 R N 0.065 120.540 120.500 -0.042 0.000 3.272 40 R HA -0.275 4.065 4.340 -0.000 0.000 0.425 40 R C 0.997 177.170 176.300 -0.213 0.000 0.688 40 R CA 2.473 58.410 56.100 -0.272 0.000 0.235 40 R CB -1.844 28.112 30.300 -0.572 0.000 0.583 40 R HN 0.535 nan 8.270 nan 0.000 0.231 41 F N 1.359 121.232 119.950 -0.129 0.000 2.869 41 F HA 0.117 4.644 4.527 -0.000 0.000 0.298 41 F C 1.880 177.714 175.800 0.056 0.000 1.235 41 F CA 0.344 58.323 58.000 -0.036 0.000 1.402 41 F CB 0.488 39.466 39.000 -0.037 0.000 1.142 41 F HN 0.205 nan 8.300 nan 0.000 0.529 42 S N -0.094 115.746 115.700 0.233 0.000 2.427 42 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 42 S C 2.301 176.985 174.600 0.141 0.000 1.047 42 S CA 0.525 58.837 58.200 0.186 0.000 0.953 42 S CB -0.259 63.036 63.200 0.159 0.000 0.824 42 S HN 0.620 nan 8.310 nan 0.000 0.502 43 H N 1.010 120.077 119.070 -0.005 0.000 2.567 43 H HA 0.180 4.736 4.556 -0.000 0.000 0.276 43 H C 1.195 176.538 175.328 0.025 0.000 1.016 43 H CA 0.498 56.536 56.048 -0.017 0.000 1.186 43 H CB -0.458 29.255 29.762 -0.082 0.000 1.351 43 H HN 0.411 nan 8.280 nan 0.000 0.605 44 L N -0.052 121.000 121.223 -0.287 0.000 2.808 44 L HA 0.375 4.715 4.340 -0.000 0.000 0.246 44 L C 2.382 179.226 176.870 -0.043 0.000 1.153 44 L CA 0.311 55.041 54.840 -0.183 0.000 0.956 44 L CB 0.203 42.153 42.059 -0.182 0.000 1.270 44 L HN 0.203 nan 8.230 nan 0.000 0.528 45 A N 0.793 123.611 122.820 -0.003 0.000 1.948 45 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 45 A C 1.178 178.755 177.584 -0.013 0.000 1.177 45 A CA 1.170 53.212 52.037 0.008 0.000 0.636 45 A CB -0.319 18.706 19.000 0.041 0.000 0.815 45 A HN 0.357 nan 8.150 nan 0.000 0.449 46 I N 0.196 120.765 120.570 -0.001 0.000 2.420 46 I HA 0.178 4.348 4.170 -0.000 0.000 0.282 46 I C -0.429 175.697 176.117 0.016 0.000 1.019 46 I CA -0.256 61.047 61.300 0.005 0.000 1.130 46 I CB 1.799 39.808 38.000 0.015 0.000 1.262 46 I HN -0.069 nan 8.210 nan 0.000 0.454 47 S N 3.323 119.038 115.700 0.026 0.000 2.505 47 S HA 0.213 4.683 4.470 -0.000 0.000 0.276 47 S C 1.026 175.657 174.600 0.053 0.000 1.274 47 S CA -0.121 58.115 58.200 0.061 0.000 1.053 47 S CB 1.036 64.311 63.200 0.125 0.000 0.919 47 S HN 0.651 nan 8.310 nan 0.000 0.490 48 T N 2.555 117.138 114.554 0.048 0.000 3.018 48 T HA 0.411 4.761 4.350 -0.000 0.000 0.246 48 T C 0.780 175.504 174.700 0.041 0.000 1.026 48 T CA 0.436 62.559 62.100 0.038 0.000 1.081 48 T CB 0.347 69.232 68.868 0.027 0.000 0.970 48 T HN 0.748 nan 8.240 nan 0.000 0.475 49 G N 0.490 109.320 108.800 0.049 0.000 2.561 49 G HA2 0.402 4.362 3.960 -0.000 0.000 0.310 49 G HA3 0.402 4.362 3.960 -0.000 0.000 0.310 49 G C 0.599 175.533 174.900 0.057 0.000 1.292 49 G CA 0.257 45.386 45.100 0.048 0.000 0.811 49 G HN 0.011 nan 8.290 nan 0.000 0.482 50 S N -0.899 114.832 115.700 0.052 0.000 2.387 50 S HA 0.093 4.563 4.470 -0.000 0.000 0.226 50 S C 1.313 175.959 174.600 0.076 0.000 1.026 50 S CA 0.202 58.437 58.200 0.058 0.000 0.972 50 S CB -0.581 62.648 63.200 0.048 0.000 0.814 50 S HN 0.505 nan 8.310 nan 0.000 0.477 51 L N 3.176 124.446 121.223 0.079 0.000 2.628 51 L HA 0.152 4.492 4.340 -0.000 0.000 0.274 51 L C -2.332 174.619 176.870 0.135 0.000 1.209 51 L CA -1.152 53.752 54.840 0.107 0.000 0.930 51 L CB -0.775 41.334 42.059 0.082 0.000 1.183 51 L HN 0.089 nan 8.230 nan 0.000 0.492 52 P HA 0.025 nan 4.420 nan 0.000 0.267 52 P C -0.536 176.981 177.300 0.361 0.000 1.209 52 P CA -0.289 62.953 63.100 0.237 0.000 0.763 52 P CB 0.544 32.336 31.700 0.154 0.000 0.816 53 V N 5.768 125.840 119.914 0.264 0.000 2.403 53 V HA 0.148 4.268 4.120 -0.000 0.000 0.265 53 V C 0.012 176.344 176.094 0.396 0.000 1.034 53 V CA 0.256 62.697 62.300 0.236 0.000 1.036 53 V CB -1.161 30.773 31.823 0.185 0.000 1.032 53 V HN 0.638 nan 8.190 nan 0.000 0.478 54 W N 4.349 125.750 121.300 0.169 0.000 3.405 54 W HA 0.628 5.288 4.660 -0.000 0.000 0.329 54 W C -0.247 176.373 176.519 0.169 0.000 1.142 54 W CA -0.677 56.784 57.345 0.193 0.000 1.235 54 W CB 0.737 30.363 29.460 0.276 0.000 1.341 54 W HN 0.536 nan 8.180 nan 0.000 0.481 55 S N 2.129 117.972 115.700 0.238 0.000 2.397 55 S HA 0.713 5.183 4.470 -0.000 0.000 0.261 55 S C 1.205 175.923 174.600 0.196 0.000 1.151 55 S CA 0.324 58.572 58.200 0.080 0.000 1.022 55 S CB 0.657 63.924 63.200 0.112 0.000 1.187 55 S HN 0.832 nan 8.310 nan 0.000 0.473 56 A N 0.997 123.896 122.820 0.131 0.000 1.861 56 A HA 0.145 4.465 4.320 -0.000 0.000 0.212 56 A C 2.356 180.007 177.584 0.112 0.000 1.199 56 A CA 0.612 52.727 52.037 0.130 0.000 0.613 56 A CB -0.789 18.246 19.000 0.059 0.000 0.846 56 A HN 0.730 nan 8.150 nan 0.000 0.446 57 R N -1.732 118.795 120.500 0.045 0.000 2.092 57 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 57 R C -0.234 175.948 176.300 -0.197 0.000 1.119 57 R CA 0.871 56.897 56.100 -0.124 0.000 0.970 57 R CB -0.292 29.859 30.300 -0.248 0.000 0.864 57 R HN 0.565 nan 8.270 nan 0.000 0.440 58 Y N 1.816 122.175 120.300 0.097 0.000 2.804 58 Y HA 0.208 4.758 4.550 -0.000 0.000 0.330 58 Y C -1.556 174.495 175.900 0.252 0.000 1.092 58 Y CA -2.557 55.612 58.100 0.114 0.000 1.315 58 Y CB 1.044 39.549 38.460 0.075 0.000 1.188 58 Y HN 0.002 nan 8.280 nan 0.000 0.512 59 P HA -0.036 nan 4.420 nan 0.000 0.242 59 P C -0.317 176.940 177.300 -0.073 0.000 1.197 59 P CA 0.711 63.927 63.100 0.193 0.000 0.765 59 P CB 0.406 32.072 31.700 -0.056 0.000 0.936 60 S N -3.038 112.746 115.700 0.140 0.000 2.672 60 S HA 0.305 4.775 4.470 -0.000 0.000 0.271 60 S C 0.768 175.531 174.600 0.271 0.000 1.171 60 S CA -0.765 57.524 58.200 0.147 0.000 0.817 60 S CB 0.901 64.092 63.200 -0.015 0.000 1.150 60 S HN -0.237 nan 8.310 nan 0.000 0.478 61 V N 0.939 120.999 119.914 0.244 0.000 2.270 61 V HA -0.002 4.118 4.120 -0.000 0.000 0.245 61 V C 2.624 178.822 176.094 0.173 0.000 1.043 61 V CA 2.335 64.754 62.300 0.200 0.000 1.014 61 V CB -1.240 30.656 31.823 0.121 0.000 0.645 61 V HN 1.047 nan 8.190 nan 0.000 0.447 62 A N -1.098 121.795 122.820 0.122 0.000 2.259 62 A HA -0.005 4.315 4.320 -0.000 0.000 0.208 62 A C 2.311 180.012 177.584 0.197 0.000 1.201 62 A CA 1.112 53.273 52.037 0.208 0.000 0.824 62 A CB -0.380 18.641 19.000 0.036 0.000 0.838 62 A HN 0.419 nan 8.150 nan 0.000 0.485 63 S N -0.303 115.486 115.700 0.148 0.000 2.387 63 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 63 S C 2.233 176.981 174.600 0.248 0.000 1.026 63 S CA 0.811 59.135 58.200 0.207 0.000 0.972 63 S CB -0.291 63.070 63.200 0.269 0.000 0.814 63 S HN 0.589 nan 8.310 nan 0.000 0.477 64 R N 1.726 122.232 120.500 0.010 0.000 2.081 64 R HA 0.052 4.392 4.340 -0.000 0.000 0.235 64 R C 1.864 178.064 176.300 -0.167 0.000 1.131 64 R CA 1.320 57.235 56.100 -0.308 0.000 0.960 64 R CB -1.122 28.716 30.300 -0.770 0.000 0.856 64 R HN 0.520 nan 8.270 nan 0.000 0.436 65 N N 0.716 119.345 118.700 -0.119 0.000 2.207 65 N HA -0.113 4.627 4.740 -0.000 0.000 0.182 65 N C 1.850 177.250 175.510 -0.182 0.000 1.020 65 N CA 0.577 53.474 53.050 -0.254 0.000 0.858 65 N CB -0.355 37.891 38.487 -0.402 0.000 0.991 65 N HN 0.064 nan 8.380 nan 0.000 0.427 66 I N 1.183 121.839 120.570 0.144 0.000 2.423 66 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 66 I C 1.843 177.969 176.117 0.014 0.000 1.151 66 I CA 0.802 62.251 61.300 0.248 0.000 1.421 66 I CB 0.012 38.238 38.000 0.377 0.000 1.079 66 I HN -0.139 nan 8.210 nan 0.000 0.431 67 V N -1.169 118.747 119.914 0.003 0.000 2.446 67 V HA -0.109 4.011 4.120 -0.000 0.000 0.244 67 V C 2.235 178.212 176.094 -0.195 0.000 1.039 67 V CA 1.268 63.544 62.300 -0.040 0.000 1.045 67 V CB -0.207 31.676 31.823 0.099 0.000 0.681 67 V HN 0.296 nan 8.190 nan 0.000 0.459 68 V N 0.841 120.623 119.914 -0.219 0.000 3.241 68 V HA -0.128 3.992 4.120 -0.000 0.000 0.269 68 V C 2.034 177.887 176.094 -0.402 0.000 1.151 68 V CA 1.505 63.618 62.300 -0.311 0.000 1.158 68 V CB -0.673 30.982 31.823 -0.279 0.000 0.764 68 V HN 0.563 nan 8.190 nan 0.000 0.508 69 N N 0.486 118.905 118.700 -0.469 0.000 2.182 69 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 69 N C 2.008 177.177 175.510 -0.568 0.000 1.036 69 N CA 2.046 54.717 53.050 -0.633 0.000 0.850 69 N CB -0.562 37.246 38.487 -1.132 0.000 1.010 69 N HN 0.684 nan 8.380 nan 0.000 0.432 70 T N 0.027 114.271 114.554 -0.516 0.000 2.915 70 T HA -0.035 4.315 4.350 -0.000 0.000 0.269 70 T C 2.070 176.380 174.700 -0.650 0.000 1.071 70 T CA 0.563 62.468 62.100 -0.325 0.000 1.132 70 T CB -0.433 68.373 68.868 -0.103 0.000 0.878 70 T HN 0.133 nan 8.240 nan 0.000 0.479 71 L N -0.363 120.290 121.223 -0.950 0.000 2.156 71 L HA 0.133 4.473 4.340 -0.000 0.000 0.208 71 L C 2.397 178.863 176.870 -0.674 0.000 1.095 71 L CA 0.839 54.834 54.840 -1.407 0.000 0.770 71 L CB -0.322 41.154 42.059 -0.972 0.000 0.914 71 L HN 0.212 nan 8.230 nan 0.000 0.439 72 L N -0.185 120.757 121.223 -0.469 0.000 2.007 72 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 72 L C 2.453 179.246 176.870 -0.128 0.000 1.073 72 L CA 2.064 56.738 54.840 -0.277 0.000 0.744 72 L CB -1.624 40.292 42.059 -0.238 0.000 0.898 72 L HN 0.385 nan 8.230 nan 0.000 0.435 73 G N -0.812 107.911 108.800 -0.129 0.000 2.432 73 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 73 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 73 G C 1.566 176.337 174.900 -0.215 0.000 1.135 73 G CA 0.762 45.839 45.100 -0.039 0.000 0.767 73 G HN 0.552 nan 8.290 nan 0.000 0.550 74 A N -0.513 122.095 122.820 -0.353 0.000 2.178 74 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 74 A C 1.292 178.138 177.584 -1.229 0.000 1.157 74 A CA 0.757 52.326 52.037 -0.780 0.000 0.689 74 A CB -0.271 18.569 19.000 -0.266 0.000 0.787 74 A HN 0.488 nan 8.150 nan 0.000 0.465 75 H N -1.191 117.599 119.070 -0.468 0.000 2.674 75 H HA 0.379 4.935 4.556 -0.000 0.000 0.235 75 H C -0.747 174.631 175.328 0.083 0.000 1.330 75 H CA -0.158 55.762 56.048 -0.213 0.000 1.052 75 H CB 0.193 29.869 29.762 -0.144 0.000 1.954 75 H HN 0.257 nan 8.280 nan 0.000 0.566 76 L N 1.047 122.216 121.223 -0.090 0.000 3.083 76 L HA 0.147 4.487 4.340 -0.000 0.000 0.286 76 L C 1.630 178.495 176.870 -0.008 0.000 1.307 76 L CA -0.003 54.876 54.840 0.063 0.000 0.897 76 L CB 0.339 42.495 42.059 0.162 0.000 1.306 76 L HN 0.330 nan 8.230 nan 0.000 0.569 77 N N 1.175 119.822 118.700 -0.087 0.000 2.142 77 N HA -0.021 4.719 4.740 -0.000 0.000 0.186 77 N C -1.530 173.912 175.510 -0.114 0.000 1.023 77 N CA 0.320 53.367 53.050 -0.004 0.000 0.852 77 N CB -0.089 38.436 38.487 0.064 0.000 0.998 77 N HN 0.206 nan 8.380 nan 0.000 0.424 78 P HA 0.006 nan 4.420 nan 0.000 0.271 78 P C -0.132 176.848 177.300 -0.534 0.000 1.233 78 P CA 0.285 62.905 63.100 -0.800 0.000 0.789 78 P CB 0.134 30.853 31.700 -1.635 0.000 0.951 79 F N -1.452 118.436 119.950 -0.104 0.000 2.611 79 F HA -0.309 4.218 4.527 -0.000 0.000 0.542 79 F C 1.267 177.043 175.800 -0.040 0.000 0.522 79 F CA 1.511 59.461 58.000 -0.084 0.000 0.997 79 F CB -2.476 36.423 39.000 -0.169 0.000 1.739 79 F HN 0.387 nan 8.300 nan 0.000 0.263 80 A N -0.919 121.968 122.820 0.112 0.000 2.551 80 A HA 0.777 5.097 4.320 -0.000 0.000 0.252 80 A C 1.746 179.378 177.584 0.081 0.000 1.199 80 A CA 0.894 52.996 52.037 0.109 0.000 0.972 80 A CB 0.136 19.220 19.000 0.139 0.000 1.153 80 A HN 0.908 nan 8.150 nan 0.000 0.559 81 G N -2.492 106.335 108.800 0.045 0.000 3.069 81 G HA2 0.429 4.389 3.960 -0.000 0.000 0.170 81 G HA3 0.429 4.389 3.960 -0.000 0.000 0.170 81 G C 1.117 176.037 174.900 0.033 0.000 1.494 81 G CA 1.229 46.358 45.100 0.048 0.000 0.737 81 G HN 1.612 nan 8.290 nan 0.000 0.992 82 G N -0.410 108.382 108.800 -0.012 0.000 2.308 82 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.221 82 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.221 82 G C 0.626 175.531 174.900 0.008 0.000 1.032 82 G CA 0.609 45.736 45.100 0.044 0.000 0.623 82 G HN 0.617 nan 8.290 nan 0.000 0.506 83 Q N -0.111 119.682 119.800 -0.011 0.000 2.397 83 Q HA 0.639 4.979 4.340 -0.000 0.000 0.193 83 Q C 1.886 177.842 176.000 -0.074 0.000 1.083 83 Q CA 0.088 55.895 55.803 0.007 0.000 1.108 83 Q CB 0.491 29.262 28.738 0.055 0.000 1.172 83 Q HN 0.455 nan 8.270 nan 0.000 0.617 84 I N -0.498 120.077 120.570 0.007 0.000 3.883 84 I HA -0.046 4.124 4.170 -0.000 0.000 0.305 84 I C 0.695 176.893 176.117 0.134 0.000 1.247 84 I CA 0.701 62.018 61.300 0.028 0.000 1.350 84 I CB 0.180 38.238 38.000 0.096 0.000 1.194 84 I HN 0.874 nan 8.210 nan 0.000 0.441 85 T N 0.912 115.553 114.554 0.145 0.000 0.541 85 T HA -0.243 4.107 4.350 -0.000 0.000 0.774 85 T C -0.013 174.816 174.700 0.214 0.000 0.992 85 T CA 0.224 62.441 62.100 0.195 0.000 4.077 85 T CB -1.155 67.876 68.868 0.271 0.000 2.303 85 T HN 0.702 nan 8.240 nan 0.000 0.398 86 S N -0.245 115.601 115.700 0.244 0.000 2.570 86 S HA 0.490 4.960 4.470 -0.000 0.000 0.286 86 S C -1.460 173.311 174.600 0.285 0.000 1.143 86 S CA -0.507 57.834 58.200 0.236 0.000 0.921 86 S CB 1.434 64.738 63.200 0.172 0.000 1.108 86 S HN 1.560 nan 8.310 nan 0.000 0.456 87 H N 2.199 121.342 119.070 0.121 0.000 2.595 87 H HA 0.492 5.048 4.556 -0.000 0.000 0.313 87 H C 0.135 175.529 175.328 0.110 0.000 1.023 87 H CA 0.159 56.268 56.048 0.102 0.000 1.218 87 H CB 0.606 30.273 29.762 -0.158 0.000 1.403 87 H HN 0.804 nan 8.280 nan 0.000 0.477 88 Q N 3.615 123.270 119.800 -0.241 0.000 2.494 88 Q HA -0.190 4.150 4.340 -0.000 0.000 0.272 88 Q C 0.641 176.582 176.000 -0.098 0.000 1.145 88 Q CA 0.879 56.533 55.803 -0.248 0.000 0.943 88 Q CB -1.597 26.880 28.738 -0.435 0.000 1.338 88 Q HN 1.251 nan 8.270 nan 0.000 0.492 89 G N -0.361 108.429 108.800 -0.017 0.000 2.182 89 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 89 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 89 G C -0.146 174.761 174.900 0.011 0.000 1.042 89 G CA 0.170 45.272 45.100 0.003 0.000 0.775 89 G HN 0.333 nan 8.290 nan 0.000 0.501 90 I N 0.273 120.878 120.570 0.058 0.000 2.499 90 I HA 0.730 4.900 4.170 -0.000 0.000 0.288 90 I C 0.147 176.282 176.117 0.029 0.000 1.048 90 I CA -0.419 60.885 61.300 0.006 0.000 1.062 90 I CB 1.624 39.602 38.000 -0.036 0.000 1.238 90 I HN 0.175 nan 8.210 nan 0.000 0.426 91 T N 4.278 118.776 114.554 -0.094 0.000 2.787 91 T HA 0.585 4.935 4.350 -0.000 0.000 0.297 91 T C -1.574 173.016 174.700 -0.182 0.000 1.221 91 T CA -0.344 61.715 62.100 -0.070 0.000 1.006 91 T CB 0.935 69.865 68.868 0.103 0.000 1.328 91 T HN 0.328 nan 8.240 nan 0.000 0.509 92 W N 2.074 123.386 121.300 0.020 0.000 2.161 92 W HA 0.525 5.185 4.660 -0.000 0.000 0.344 92 W C 1.916 178.468 176.519 0.056 0.000 1.262 92 W CA -0.683 56.680 57.345 0.031 0.000 1.270 92 W CB 0.405 29.905 29.460 0.067 0.000 1.126 92 W HN 0.687 nan 8.180 nan 0.000 0.598 93 R N 0.612 121.293 120.500 0.300 0.000 2.070 93 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 93 R C 0.324 176.741 176.300 0.195 0.000 1.138 93 R CA 1.846 58.068 56.100 0.202 0.000 0.936 93 R CB -0.319 30.088 30.300 0.178 0.000 0.839 93 R HN 0.670 nan 8.270 nan 0.000 0.429 94 D N -2.439 118.091 120.400 0.218 0.000 2.677 94 D HA 0.111 4.751 4.640 -0.000 0.000 0.298 94 D C -2.395 174.010 176.300 0.175 0.000 1.250 94 D CA -1.561 52.542 54.000 0.171 0.000 0.888 94 D CB 1.284 42.161 40.800 0.129 0.000 1.397 94 D HN -0.335 nan 8.370 nan 0.000 0.461 95 P HA -0.134 nan 4.420 nan 0.000 0.218 95 P C 1.650 179.047 177.300 0.162 0.000 1.147 95 P CA 1.024 64.228 63.100 0.174 0.000 0.827 95 P CB 0.219 31.987 31.700 0.114 0.000 0.778 96 V N -1.190 118.802 119.914 0.130 0.000 2.626 96 V HA -0.140 3.980 4.120 -0.000 0.000 0.252 96 V C 1.175 177.346 176.094 0.129 0.000 1.067 96 V CA 0.751 63.122 62.300 0.118 0.000 1.081 96 V CB -1.179 30.709 31.823 0.108 0.000 0.686 96 V HN 0.144 nan 8.190 nan 0.000 0.468 97 L N 0.919 122.236 121.223 0.157 0.000 3.272 97 L HA -0.199 4.141 4.340 -0.000 0.000 0.701 97 L C 0.898 178.072 176.870 0.506 0.000 1.155 97 L CA 0.086 55.025 54.840 0.166 0.000 1.249 97 L CB -1.975 39.914 42.059 -0.283 0.000 1.796 97 L HN 0.531 nan 8.230 nan 0.000 0.896 98 S N -0.627 115.407 115.700 0.555 0.000 3.530 98 S HA 0.515 4.985 4.470 -0.000 0.000 0.180 98 S C 0.734 175.636 174.600 0.504 0.000 0.889 98 S CA 0.235 58.746 58.200 0.520 0.000 1.478 98 S CB 0.357 63.746 63.200 0.314 0.000 0.612 98 S HN 0.662 nan 8.310 nan 0.000 0.615 99 S N 0.945 116.813 115.700 0.279 0.000 2.632 99 S HA 0.605 5.075 4.470 -0.000 0.000 0.267 99 S C -0.694 173.879 174.600 -0.045 0.000 1.276 99 S CA -0.795 57.461 58.200 0.094 0.000 0.998 99 S CB -0.059 63.234 63.200 0.155 0.000 0.953 99 S HN 0.378 nan 8.310 nan 0.000 0.547 100 L N 1.815 122.851 121.223 -0.311 0.000 2.257 100 L HA 0.685 5.025 4.340 -0.000 0.000 0.290 100 L C 0.443 177.172 176.870 -0.235 0.000 1.044 100 L CA 0.008 54.575 54.840 -0.455 0.000 0.810 100 L CB 0.521 42.092 42.059 -0.814 0.000 1.193 100 L HN 0.987 nan 8.230 nan 0.000 0.425 101 A N 5.737 128.490 122.820 -0.112 0.000 2.322 101 A HA 0.972 5.292 4.320 -0.000 0.000 0.327 101 A C -2.577 174.986 177.584 -0.035 0.000 1.134 101 A CA -1.654 50.378 52.037 -0.009 0.000 0.831 101 A CB 0.931 19.969 19.000 0.063 0.000 1.288 101 A HN 0.479 nan 8.150 nan 0.000 0.472 102 P HA 0.133 nan 4.420 nan 0.000 0.269 102 P C -0.129 177.179 177.300 0.013 0.000 1.209 102 P CA 0.082 63.178 63.100 -0.005 0.000 0.776 102 P CB 0.425 32.128 31.700 0.005 0.000 0.876 103 V N 5.144 125.069 119.914 0.019 0.000 2.621 103 V HA -0.100 4.020 4.120 -0.000 0.000 0.300 103 V C -1.603 174.514 176.094 0.038 0.000 1.031 103 V CA -0.098 62.225 62.300 0.038 0.000 1.210 103 V CB -1.325 30.524 31.823 0.044 0.000 0.864 103 V HN 0.605 nan 8.190 nan 0.000 0.477 104 P HA 0.293 nan 4.420 nan 0.000 0.268 104 P C 0.004 177.328 177.300 0.040 0.000 1.205 104 P CA 0.121 63.248 63.100 0.044 0.000 0.771 104 P CB 0.636 32.369 31.700 0.054 0.000 0.858 105 A N 3.271 126.110 122.820 0.033 0.000 2.267 105 A HA 0.455 4.775 4.320 -0.000 0.000 0.271 105 A C 1.107 178.709 177.584 0.031 0.000 1.131 105 A CA -0.093 51.961 52.037 0.029 0.000 0.818 105 A CB -0.351 18.662 19.000 0.023 0.000 1.118 105 A HN 0.608 nan 8.150 nan 0.000 0.501 106 I N -2.857 117.729 120.570 0.027 0.000 4.205 106 I HA -0.265 3.905 4.170 -0.000 0.000 0.094 106 I C 0.793 176.929 176.117 0.031 0.000 0.521 106 I CA 2.360 63.676 61.300 0.027 0.000 1.179 106 I CB -1.613 36.403 38.000 0.026 0.000 1.046 106 I HN 0.896 nan 8.210 nan 0.000 0.179 107 Q N 1.462 121.285 119.800 0.037 0.000 3.394 107 Q HA 0.395 4.735 4.340 -0.000 0.000 0.285 107 Q C -2.541 173.489 176.000 0.051 0.000 0.866 107 Q CA -1.130 54.698 55.803 0.042 0.000 0.844 107 Q CB 1.320 30.084 28.738 0.043 0.000 1.472 107 Q HN 0.174 nan 8.270 nan 0.000 0.401 108 P HA 0.254 nan 4.420 nan 0.000 0.275 108 P C -2.446 174.895 177.300 0.068 0.000 1.227 108 P CA -0.805 62.330 63.100 0.058 0.000 0.781 108 P CB 0.451 32.180 31.700 0.050 0.000 0.906 109 P HA 0.228 nan 4.420 nan 0.000 0.274 109 P C -2.333 175.025 177.300 0.097 0.000 1.256 109 P CA -1.231 61.926 63.100 0.096 0.000 0.795 109 P CB -0.763 31.010 31.700 0.121 0.000 1.038 110 P HA 0.050 nan 4.420 nan 0.000 0.275 110 P C -0.700 176.681 177.300 0.134 0.000 1.227 110 P CA -0.039 63.120 63.100 0.099 0.000 0.781 110 P CB 0.468 32.223 31.700 0.091 0.000 0.906 111 V N 3.597 123.584 119.914 0.120 0.000 2.540 111 V HA -0.082 4.038 4.120 -0.000 0.000 0.297 111 V C 0.735 176.952 176.094 0.205 0.000 1.024 111 V CA -0.191 62.203 62.300 0.156 0.000 1.105 111 V CB -0.566 31.319 31.823 0.103 0.000 0.938 111 V HN 0.651 nan 8.190 nan 0.000 0.482 112 W N 5.426 126.773 121.300 0.078 0.000 2.251 112 W HA 0.422 5.082 4.660 -0.000 0.000 0.327 112 W C 0.455 177.009 176.519 0.058 0.000 1.361 112 W CA -0.641 56.740 57.345 0.061 0.000 1.234 112 W CB 0.396 29.881 29.460 0.042 0.000 1.212 112 W HN 0.699 nan 8.180 nan 0.000 0.557 113 A N 7.132 129.638 122.820 -0.524 0.000 2.539 113 A HA 0.401 4.721 4.320 -0.000 0.000 0.306 113 A C -0.413 176.473 177.584 -1.164 0.000 1.392 113 A CA -0.627 51.055 52.037 -0.591 0.000 1.060 113 A CB -0.538 18.273 19.000 -0.315 0.000 1.134 113 A HN 0.537 nan 8.150 nan 0.000 0.542 114 V N 1.851 121.111 119.914 -1.089 0.000 2.583 114 V HA 0.241 4.361 4.120 -0.000 0.000 0.302 114 V C 0.824 176.537 176.094 -0.635 0.000 1.033 114 V CA 1.315 62.940 62.300 -1.126 0.000 1.194 114 V CB -0.542 31.059 31.823 -0.368 0.000 0.879 114 V HN 1.128 nan 8.190 nan 0.000 0.482 115 A N 4.842 127.346 122.820 -0.527 0.000 2.549 115 A HA 0.725 5.045 4.320 -0.000 0.000 0.297 115 A C -0.426 176.898 177.584 -0.434 0.000 1.061 115 A CA -0.934 50.898 52.037 -0.342 0.000 0.690 115 A CB 1.404 20.268 19.000 -0.226 0.000 1.287 115 A HN 0.881 nan 8.150 nan 0.000 0.402 116 E N 1.238 121.034 120.200 -0.672 0.000 2.227 116 E HA 0.499 4.849 4.350 -0.000 0.000 0.282 116 E C -0.830 175.556 176.600 -0.357 0.000 1.015 116 E CA -0.833 55.036 56.400 -0.884 0.000 0.823 116 E CB 0.456 29.573 29.700 -0.971 0.000 1.081 116 E HN 0.496 nan 8.360 nan 0.000 0.396 117 N N 0.353 118.931 118.700 -0.203 0.000 2.648 117 N HA -0.173 4.567 4.740 -0.000 0.000 0.265 117 N C -1.239 174.278 175.510 0.011 0.000 1.100 117 N CA 0.516 53.538 53.050 -0.047 0.000 0.715 117 N CB -0.988 37.467 38.487 -0.055 0.000 0.881 117 N HN 0.486 nan 8.380 nan 0.000 0.548 118 V N 1.854 121.812 119.914 0.073 0.000 2.408 118 V HA 0.318 4.438 4.120 -0.000 0.000 0.267 118 V C 0.512 176.672 176.094 0.110 0.000 1.047 118 V CA -0.724 61.634 62.300 0.097 0.000 0.937 118 V CB 0.518 32.440 31.823 0.164 0.000 0.999 118 V HN 0.312 nan 8.190 nan 0.000 0.472 119 L N 7.703 128.976 121.223 0.084 0.000 2.513 119 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 119 L C -0.042 176.893 176.870 0.109 0.000 1.187 119 L CA 0.241 55.134 54.840 0.088 0.000 0.895 119 L CB 0.183 42.275 42.059 0.055 0.000 1.147 119 L HN 0.471 nan 8.230 nan 0.000 0.483 120 L N 3.667 124.966 121.223 0.126 0.000 2.275 120 L HA 0.188 4.528 4.340 -0.000 0.000 0.288 120 L C 0.590 177.517 176.870 0.095 0.000 1.046 120 L CA -0.138 54.771 54.840 0.114 0.000 0.805 120 L CB 1.482 43.604 42.059 0.104 0.000 1.193 120 L HN 0.560 nan 8.230 nan 0.000 0.426 121 D N -0.057 120.392 120.400 0.081 0.000 2.388 121 D HA -0.025 4.615 4.640 -0.000 0.000 0.208 121 D C 1.523 177.748 176.300 -0.125 0.000 1.035 121 D CA 0.914 54.985 54.000 0.118 0.000 0.875 121 D CB 0.643 41.521 40.800 0.130 0.000 0.984 121 D HN 0.616 nan 8.370 nan 0.000 0.508 122 S N -0.450 115.094 115.700 -0.260 0.000 1.619 122 S HA -0.372 4.098 4.470 -0.000 0.000 0.235 122 S C 1.315 175.874 174.600 -0.068 0.000 0.805 122 S CA 1.699 59.556 58.200 -0.570 0.000 1.403 122 S CB -2.190 60.123 63.200 -1.478 0.000 1.782 122 S HN 0.538 nan 8.310 nan 0.000 0.524 123 N N 1.475 120.139 118.700 -0.061 0.000 2.520 123 N HA -0.033 4.707 4.740 -0.000 0.000 0.185 123 N C 1.418 176.993 175.510 0.109 0.000 1.068 123 N CA 1.189 54.271 53.050 0.053 0.000 0.911 123 N CB -0.641 37.870 38.487 0.040 0.000 0.961 123 N HN 0.812 nan 8.380 nan 0.000 0.446 124 N N -0.833 117.943 118.700 0.127 0.000 2.381 124 N HA -0.199 4.541 4.740 -0.000 0.000 0.182 124 N C -0.406 175.210 175.510 0.177 0.000 1.025 124 N CA 0.407 53.534 53.050 0.129 0.000 0.888 124 N CB 0.064 38.619 38.487 0.114 0.000 0.965 124 N HN 0.154 nan 8.380 nan 0.000 0.438 125 Y N 1.154 121.475 120.300 0.035 0.000 2.841 125 Y HA 0.360 4.910 4.550 -0.000 0.000 0.329 125 Y C -2.129 173.820 175.900 0.082 0.000 1.062 125 Y CA -3.045 55.032 58.100 -0.038 0.000 1.281 125 Y CB 1.244 39.502 38.460 -0.338 0.000 1.147 125 Y HN 0.032 nan 8.280 nan 0.000 0.521 126 P HA -0.150 nan 4.420 nan 0.000 0.220 126 P C 1.339 178.517 177.300 -0.203 0.000 1.144 126 P CA 1.807 64.852 63.100 -0.093 0.000 0.800 126 P CB 0.371 32.030 31.700 -0.068 0.000 0.772 127 T N -2.121 112.116 114.554 -0.529 0.000 2.995 127 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 127 T C 1.465 176.019 174.700 -0.244 0.000 1.091 127 T CA 0.767 62.577 62.100 -0.484 0.000 1.128 127 T CB -0.816 67.593 68.868 -0.764 0.000 0.891 127 T HN 0.138 nan 8.240 nan 0.000 0.492 128 Y N 2.222 122.381 120.300 -0.235 0.000 2.114 128 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 128 Y C 2.218 178.151 175.900 0.055 0.000 1.143 128 Y CA 1.006 59.155 58.100 0.081 0.000 1.135 128 Y CB -0.615 38.085 38.460 0.400 0.000 0.980 128 Y HN 0.002 nan 8.280 nan 0.000 0.499 129 V N 0.192 120.095 119.914 -0.018 0.000 2.626 129 V HA -0.206 3.914 4.120 -0.000 0.000 0.252 129 V C 1.924 177.941 176.094 -0.128 0.000 1.067 129 V CA 1.436 63.669 62.300 -0.111 0.000 1.081 129 V CB -0.694 31.144 31.823 0.025 0.000 0.686 129 V HN 0.390 nan 8.190 nan 0.000 0.468 130 L N 0.634 121.794 121.223 -0.105 0.000 2.627 130 L HA 0.311 4.651 4.340 -0.000 0.000 0.232 130 L C 0.639 177.448 176.870 -0.102 0.000 1.150 130 L CA 0.885 55.669 54.840 -0.094 0.000 0.917 130 L CB -0.710 41.299 42.059 -0.083 0.000 1.104 130 L HN 0.409 nan 8.230 nan 0.000 0.445 131 N N -1.761 116.857 118.700 -0.137 0.000 2.600 131 N HA -0.000 4.740 4.740 -0.000 0.000 0.246 131 N C 0.451 175.856 175.510 -0.174 0.000 1.454 131 N CA -0.002 52.978 53.050 -0.116 0.000 1.120 131 N CB -0.089 38.354 38.487 -0.072 0.000 1.478 131 N HN 0.047 nan 8.380 nan 0.000 0.541 132 L N 0.434 121.516 121.223 -0.234 0.000 2.027 132 L HA 0.073 4.413 4.340 -0.000 0.000 0.206 132 L C 1.977 178.772 176.870 -0.125 0.000 1.074 132 L CA 2.296 56.963 54.840 -0.288 0.000 0.745 132 L CB -0.705 41.196 42.059 -0.265 0.000 0.898 132 L HN 0.393 nan 8.230 nan 0.000 0.433 133 S N -2.379 113.249 115.700 -0.120 0.000 2.500 133 S HA -0.097 4.373 4.470 -0.000 0.000 0.239 133 S C 1.789 176.366 174.600 -0.038 0.000 0.989 133 S CA 1.210 59.350 58.200 -0.101 0.000 0.951 133 S CB -0.460 62.672 63.200 -0.113 0.000 0.759 133 S HN 0.480 nan 8.310 nan 0.000 0.523 134 S N 1.771 117.455 115.700 -0.025 0.000 2.510 134 S HA 0.289 4.759 4.470 -0.000 0.000 0.230 134 S C 1.364 175.976 174.600 0.021 0.000 1.066 134 S CA 0.503 58.705 58.200 0.004 0.000 0.941 134 S CB -0.157 63.045 63.200 0.003 0.000 0.829 134 S HN 0.801 nan 8.310 nan 0.000 0.530 135 M N 0.333 119.936 119.600 0.005 0.000 3.007 135 M HA 0.328 4.808 4.480 -0.000 0.000 0.288 135 M C 0.859 177.152 176.300 -0.013 0.000 1.246 135 M CA -0.313 54.975 55.300 -0.020 0.000 1.040 135 M CB -0.200 32.423 32.600 0.038 0.000 1.254 135 M HN 0.378 nan 8.290 nan 0.000 0.517 136 W N 2.436 123.630 121.300 -0.176 0.000 2.409 136 W HA 0.066 4.726 4.660 -0.000 0.000 0.299 136 W C -1.491 174.877 176.519 -0.252 0.000 1.203 136 W CA 1.225 58.458 57.345 -0.186 0.000 1.298 136 W CB -1.198 28.155 29.460 -0.178 0.000 1.127 136 W HN 0.322 nan 8.180 nan 0.000 0.528 137 P HA -0.246 nan 4.420 nan 0.000 0.216 137 P C 1.725 178.626 177.300 -0.666 0.000 1.150 137 P CA 2.608 65.439 63.100 -0.448 0.000 0.843 137 P CB -0.564 31.029 31.700 -0.179 0.000 0.787 138 I N -1.404 118.611 120.570 -0.925 0.000 2.423 138 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 138 I C 1.867 177.267 176.117 -1.196 0.000 1.151 138 I CA 2.005 62.400 61.300 -1.509 0.000 1.421 138 I CB -1.189 35.822 38.000 -1.648 0.000 1.079 138 I HN -0.156 nan 8.210 nan 0.000 0.431 139 N N 0.429 118.418 118.700 -1.185 0.000 2.135 139 N HA -0.238 4.502 4.740 -0.000 0.000 0.186 139 N C 1.951 176.830 175.510 -1.051 0.000 1.027 139 N CA 1.516 53.637 53.050 -1.548 0.000 0.849 139 N CB -0.418 37.243 38.487 -1.377 0.000 1.002 139 N HN 0.503 nan 8.380 nan 0.000 0.425 140 Q N 0.490 119.780 119.800 -0.849 0.000 2.050 140 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 140 Q C 0.943 176.840 176.000 -0.172 0.000 0.980 140 Q CA 1.490 57.027 55.803 -0.444 0.000 0.840 140 Q CB -0.337 28.160 28.738 -0.401 0.000 0.898 140 Q HN 0.519 nan 8.270 nan 0.000 0.424 141 D N -0.362 119.941 120.400 -0.162 0.000 2.097 141 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 141 D C 2.046 178.370 176.300 0.040 0.000 0.989 141 D CA 1.131 55.171 54.000 0.066 0.000 0.827 141 D CB -0.064 40.956 40.800 0.368 0.000 0.966 141 D HN 0.097 nan 8.370 nan 0.000 0.456 142 V N 1.044 120.917 119.914 -0.069 0.000 2.392 142 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 142 V C 2.370 178.484 176.094 0.033 0.000 1.059 142 V CA 1.793 64.090 62.300 -0.006 0.000 1.051 142 V CB -0.664 31.084 31.823 -0.124 0.000 0.658 142 V HN 0.248 nan 8.190 nan 0.000 0.455 143 H N -0.105 118.892 119.070 -0.122 0.000 2.387 143 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 143 H C 2.047 177.429 175.328 0.089 0.000 1.090 143 H CA 1.873 57.918 56.048 -0.006 0.000 1.332 143 H CB -0.026 29.696 29.762 -0.066 0.000 1.386 143 H HN 0.250 nan 8.280 nan 0.000 0.516 144 I N 0.431 120.988 120.570 -0.021 0.000 2.142 144 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 144 I C 2.621 178.718 176.117 -0.034 0.000 1.078 144 I CA 1.628 62.902 61.300 -0.044 0.000 1.343 144 I CB -1.188 36.749 38.000 -0.105 0.000 1.046 144 I HN 0.479 nan 8.210 nan 0.000 0.405 145 M N 0.257 119.835 119.600 -0.037 0.000 2.202 145 M HA -0.230 4.250 4.480 -0.000 0.000 0.262 145 M C 2.124 178.588 176.300 0.274 0.000 1.063 145 M CA 1.826 57.177 55.300 0.085 0.000 1.097 145 M CB -0.221 32.409 32.600 0.050 0.000 1.382 145 M HN 0.199 nan 8.290 nan 0.000 0.413 146 T N 0.943 115.597 114.554 0.167 0.000 2.737 146 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 146 T C 1.755 176.555 174.700 0.166 0.000 1.038 146 T CA 1.453 63.653 62.100 0.166 0.000 1.144 146 T CB -0.079 68.859 68.868 0.117 0.000 0.866 146 T HN 0.383 nan 8.240 nan 0.000 0.434 147 M N -0.527 119.146 119.600 0.122 0.000 2.296 147 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 147 M C 1.690 178.157 176.300 0.278 0.000 1.064 147 M CA 0.987 56.383 55.300 0.160 0.000 1.109 147 M CB -1.155 31.531 32.600 0.143 0.000 1.396 147 M HN 0.395 nan 8.290 nan 0.000 0.430 148 W N 0.244 121.616 121.300 0.120 0.000 2.523 148 W HA 0.195 4.855 4.660 -0.000 0.000 0.278 148 W C 2.628 179.249 176.519 0.169 0.000 1.236 148 W CA 0.991 58.459 57.345 0.206 0.000 1.306 148 W CB -0.926 28.780 29.460 0.410 0.000 1.101 148 W HN 0.222 nan 8.180 nan 0.000 0.577 149 A N -0.230 122.838 122.820 0.413 0.000 1.970 149 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 149 A C 1.591 179.280 177.584 0.175 0.000 1.170 149 A CA 0.729 52.854 52.037 0.147 0.000 0.645 149 A CB -0.837 18.337 19.000 0.291 0.000 0.816 149 A HN 0.157 nan 8.150 nan 0.000 0.447 150 L N 0.487 121.788 121.223 0.130 0.000 2.801 150 L HA 0.175 4.515 4.340 -0.000 0.000 0.250 150 L C 0.413 177.244 176.870 -0.065 0.000 1.222 150 L CA 0.054 54.914 54.840 0.033 0.000 1.054 150 L CB -0.555 41.499 42.059 -0.008 0.000 1.330 150 L HN 0.296 nan 8.230 nan 0.000 0.426 151 S N -0.295 115.389 115.700 -0.026 0.000 2.560 151 S HA 0.123 4.593 4.470 -0.000 0.000 0.283 151 S C -0.074 174.535 174.600 0.014 0.000 1.141 151 S CA -0.766 57.367 58.200 -0.112 0.000 0.902 151 S CB 1.158 64.248 63.200 -0.183 0.000 1.104 151 S HN 0.433 nan 8.310 nan 0.000 0.454 152 D N 2.569 122.964 120.400 -0.008 0.000 2.349 152 D HA 0.107 4.747 4.640 -0.000 0.000 0.214 152 D C -0.346 176.063 176.300 0.182 0.000 1.063 152 D CA 0.045 54.184 54.000 0.232 0.000 0.847 152 D CB 0.303 41.236 40.800 0.222 0.000 0.933 152 D HN 0.392 nan 8.370 nan 0.000 0.513 153 Q N 0.751 120.557 119.800 0.011 0.000 3.605 153 Q HA 0.445 4.785 4.340 -0.000 0.000 0.222 153 Q C -0.239 175.560 176.000 -0.335 0.000 0.915 153 Q CA -0.289 55.513 55.803 -0.002 0.000 0.731 153 Q CB 1.375 30.096 28.738 -0.030 0.000 1.423 153 Q HN 0.372 nan 8.270 nan 0.000 0.446 154 G N 2.668 110.969 108.800 -0.832 0.000 3.019 154 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 154 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 154 G C -2.947 171.301 174.900 -1.087 0.000 1.056 154 G CA -1.231 42.854 45.100 -1.691 0.000 0.774 154 G HN 0.187 nan 8.290 nan 0.000 0.583 155 P HA 0.259 nan 4.420 nan 0.000 0.262 155 P C 0.838 177.978 177.300 -0.266 0.000 1.199 155 P CA -0.092 62.548 63.100 -0.768 0.000 0.763 155 P CB 0.253 31.324 31.700 -1.049 0.000 0.790 156 I N 2.674 123.154 120.570 -0.151 0.000 2.278 156 I HA 0.250 4.420 4.170 -0.000 0.000 0.296 156 I C 0.291 176.478 176.117 0.117 0.000 1.121 156 I CA -0.833 60.420 61.300 -0.078 0.000 1.267 156 I CB -0.566 37.382 38.000 -0.087 0.000 1.447 156 I HN 0.261 nan 8.210 nan 0.000 0.509 157 Y N 3.967 124.352 120.300 0.142 0.000 2.576 157 Y HA 0.554 5.104 4.550 -0.000 0.000 0.406 157 Y C 0.213 176.246 175.900 0.221 0.000 1.381 157 Y CA -0.933 57.292 58.100 0.208 0.000 1.763 157 Y CB 0.161 38.730 38.460 0.182 0.000 1.736 157 Y HN 0.521 nan 8.280 nan 0.000 0.634 158 H N 0.307 119.484 119.070 0.178 0.000 3.224 158 H HA 0.378 4.934 4.556 -0.000 0.000 0.331 158 H C -1.828 173.439 175.328 -0.102 0.000 1.002 158 H CA -0.598 55.317 56.048 -0.223 0.000 1.473 158 H CB 0.928 30.361 29.762 -0.549 0.000 1.830 158 H HN 0.750 nan 8.280 nan 0.000 0.485 159 L N 3.022 123.845 121.223 -0.668 0.000 2.454 159 L HA 0.350 4.690 4.340 -0.000 0.000 0.256 159 L C 1.169 177.560 176.870 -0.798 0.000 1.136 159 L CA 0.068 54.593 54.840 -0.524 0.000 0.804 159 L CB 1.286 43.076 42.059 -0.450 0.000 1.181 159 L HN 0.732 nan 8.230 nan 0.000 0.469 160 E N 0.143 120.057 120.200 -0.477 0.000 3.678 160 E HA 0.157 4.507 4.350 -0.000 0.000 0.251 160 E C -0.859 175.520 176.600 -0.368 0.000 1.255 160 E CA 0.453 56.617 56.400 -0.392 0.000 1.648 160 E CB 1.335 30.886 29.700 -0.249 0.000 2.201 160 E HN 0.422 nan 8.360 nan 0.000 0.751 161 V N -0.007 119.606 119.914 -0.501 0.000 3.480 161 V HA -0.116 4.004 4.120 -0.000 0.000 0.494 161 V C -2.985 172.929 176.094 -0.300 0.000 0.682 161 V CA -0.055 61.871 62.300 -0.623 0.000 2.039 161 V CB -1.417 30.112 31.823 -0.490 0.000 2.474 161 V HN 0.253 nan 8.190 nan 0.000 0.505 162 P HA 0.460 nan 4.420 nan 0.000 0.275 162 P C 1.176 178.516 177.300 0.067 0.000 1.270 162 P CA 0.255 63.353 63.100 -0.004 0.000 0.791 162 P CB 0.773 32.533 31.700 0.100 0.000 1.089 163 V N -1.203 118.753 119.914 0.069 0.000 2.788 163 V HA -0.039 4.081 4.120 -0.000 0.000 0.251 163 V C 0.945 177.106 176.094 0.111 0.000 1.068 163 V CA 1.477 63.820 62.300 0.071 0.000 1.090 163 V CB -1.167 30.684 31.823 0.048 0.000 0.710 163 V HN 0.609 nan 8.190 nan 0.000 0.467 164 D N 0.929 121.413 120.400 0.139 0.000 2.326 164 D HA 0.298 4.938 4.640 -0.000 0.000 0.251 164 D C -2.638 173.789 176.300 0.212 0.000 1.023 164 D CA -1.782 52.306 54.000 0.147 0.000 0.966 164 D CB 1.323 42.193 40.800 0.118 0.000 1.156 164 D HN 0.084 nan 8.370 nan 0.000 0.494 165 P HA 0.081 nan 4.420 nan 0.000 0.272 165 P C 0.179 177.536 177.300 0.095 0.000 1.240 165 P CA -0.359 62.811 63.100 0.116 0.000 0.791 165 P CB 0.632 32.369 31.700 0.061 0.000 0.978 166 M N 1.308 120.842 119.600 -0.109 0.000 2.261 166 M HA 0.034 4.514 4.480 -0.000 0.000 0.350 166 M C -1.720 174.565 176.300 -0.025 0.000 1.343 166 M CA -0.650 54.509 55.300 -0.235 0.000 1.003 166 M CB -0.944 31.324 32.600 -0.553 0.000 1.848 166 M HN 0.261 nan 8.290 nan 0.000 0.456 167 P HA -0.032 nan 4.420 nan 0.000 0.271 167 P C -0.097 177.230 177.300 0.045 0.000 1.233 167 P CA 0.082 63.229 63.100 0.078 0.000 0.795 167 P CB 0.527 32.297 31.700 0.116 0.000 0.936 168 A N 1.077 123.925 122.820 0.048 0.000 2.119 168 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 168 A C 1.882 179.489 177.584 0.037 0.000 1.152 168 A CA 1.553 53.614 52.037 0.039 0.000 0.708 168 A CB -1.160 17.861 19.000 0.036 0.000 0.805 168 A HN 0.526 nan 8.150 nan 0.000 0.460 169 A N -1.401 121.444 122.820 0.041 0.000 2.147 169 A HA 0.160 4.480 4.320 -0.000 0.000 0.211 169 A C 2.072 179.678 177.584 0.037 0.000 1.160 169 A CA 1.518 53.577 52.037 0.036 0.000 0.781 169 A CB -0.481 18.542 19.000 0.038 0.000 0.842 169 A HN 0.339 nan 8.150 nan 0.000 0.475 170 T N 0.338 114.918 114.554 0.044 0.000 2.809 170 T HA -0.105 4.245 4.350 -0.000 0.000 0.260 170 T C 2.243 176.946 174.700 0.005 0.000 1.039 170 T CA 1.978 64.099 62.100 0.035 0.000 1.141 170 T CB -0.591 68.307 68.868 0.050 0.000 0.869 170 T HN 0.743 nan 8.240 nan 0.000 0.437 171 T N 0.946 115.517 114.554 0.029 0.000 2.881 171 T HA 0.067 4.417 4.350 -0.000 0.000 0.270 171 T C 2.097 176.868 174.700 0.118 0.000 1.068 171 T CA 1.037 63.206 62.100 0.114 0.000 1.131 171 T CB -0.402 68.553 68.868 0.145 0.000 0.871 171 T HN 0.318 nan 8.240 nan 0.000 0.479 172 A N 0.748 123.600 122.820 0.052 0.000 2.081 172 A HA 0.711 5.030 4.320 -0.000 0.000 0.214 172 A C 2.579 180.162 177.584 -0.002 0.000 1.158 172 A CA 0.913 52.962 52.037 0.021 0.000 0.724 172 A CB -0.752 18.251 19.000 0.005 0.000 0.826 172 A HN 0.677 nan 8.150 nan 0.000 0.463 173 A N -0.578 122.246 122.820 0.006 0.000 1.943 173 A HA 0.240 4.560 4.320 -0.000 0.000 0.213 173 A C 1.977 179.576 177.584 0.024 0.000 1.181 173 A CA 0.768 52.808 52.037 0.004 0.000 0.653 173 A CB -0.390 18.623 19.000 0.023 0.000 0.833 173 A HN 0.392 nan 8.150 nan 0.000 0.451 174 L N 0.142 121.360 121.223 -0.008 0.000 2.201 174 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 174 L C 1.881 178.739 176.870 -0.019 0.000 1.105 174 L CA 0.920 55.710 54.840 -0.084 0.000 0.775 174 L CB -0.267 41.468 42.059 -0.540 0.000 0.913 174 L HN 0.673 nan 8.230 nan 0.000 0.440 175 M N -1.898 117.746 119.600 0.073 0.000 3.759 175 M HA 0.304 4.784 4.480 -0.000 0.000 0.190 175 M C 0.364 176.610 176.300 -0.090 0.000 1.478 175 M CA 0.539 55.889 55.300 0.083 0.000 1.691 175 M CB -0.083 32.507 32.600 -0.016 0.000 1.113 175 M HN 0.034 nan 8.290 nan 0.000 0.542 176 A N 0.162 122.883 122.820 -0.164 0.000 2.680 176 A HA 0.241 4.561 4.320 -0.000 0.000 0.183 176 A C 0.032 177.315 177.584 -0.501 0.000 1.506 176 A CA -0.269 51.542 52.037 -0.377 0.000 1.119 176 A CB 0.200 18.873 19.000 -0.545 0.000 1.424 176 A HN 0.698 nan 8.150 nan 0.000 0.540 177 Y N 1.323 121.600 120.300 -0.039 0.000 2.774 177 Y HA 0.239 4.789 4.550 -0.000 0.000 0.305 177 Y C 1.753 177.635 175.900 -0.030 0.000 1.067 177 Y CA 0.291 58.369 58.100 -0.036 0.000 1.304 177 Y CB -0.003 38.426 38.460 -0.051 0.000 1.209 177 Y HN 0.201 nan 8.280 nan 0.000 0.543 178 T N -0.426 114.159 114.554 0.053 0.000 2.523 178 T HA -0.140 4.210 4.350 -0.000 0.000 0.253 178 T C 1.740 176.430 174.700 -0.016 0.000 1.139 178 T CA 1.384 63.504 62.100 0.033 0.000 1.230 178 T CB -0.654 68.218 68.868 0.005 0.000 0.871 178 T HN 0.548 nan 8.240 nan 0.000 0.396 179 G N 1.886 110.674 108.800 -0.020 0.000 3.102 179 G HA2 0.424 4.384 3.960 -0.000 0.000 0.264 179 G HA3 0.424 4.384 3.960 -0.000 0.000 0.264 179 G C -0.702 174.196 174.900 -0.003 0.000 0.788 179 G CA -0.243 44.840 45.100 -0.028 0.000 2.029 179 G HN 0.377 nan 8.290 nan 0.000 0.608 180 V N 2.202 122.119 119.914 0.006 0.000 2.488 180 V HA 0.248 4.368 4.120 -0.000 0.000 0.293 180 V C -2.228 173.870 176.094 0.006 0.000 1.027 180 V CA -1.669 60.657 62.300 0.043 0.000 0.862 180 V CB 2.567 34.475 31.823 0.142 0.000 1.008 180 V HN 0.226 nan 8.190 nan 0.000 0.428 181 P HA 0.111 nan 4.420 nan 0.000 0.269 181 P C 1.121 178.380 177.300 -0.068 0.000 1.211 181 P CA -0.080 62.950 63.100 -0.117 0.000 0.781 181 P CB 0.756 32.278 31.700 -0.297 0.000 0.877 182 I N 1.617 122.111 120.570 -0.126 0.000 2.454 182 I HA -0.228 3.942 4.170 -0.000 0.000 0.254 182 I C 1.728 177.719 176.117 -0.210 0.000 1.156 182 I CA 1.760 62.862 61.300 -0.330 0.000 1.433 182 I CB -1.189 36.260 38.000 -0.920 0.000 1.082 182 I HN 0.321 nan 8.210 nan 0.000 0.432 183 A N -0.312 122.453 122.820 -0.091 0.000 1.933 183 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 183 A C 2.108 179.778 177.584 0.143 0.000 1.175 183 A CA 1.508 53.580 52.037 0.059 0.000 0.628 183 A CB -0.972 18.091 19.000 0.105 0.000 0.814 183 A HN 0.614 nan 8.150 nan 0.000 0.444 184 H N -1.052 117.984 119.070 -0.058 0.000 2.482 184 H HA 0.151 4.707 4.556 -0.000 0.000 0.286 184 H C 1.830 177.090 175.328 -0.113 0.000 1.017 184 H CA 0.639 56.647 56.048 -0.067 0.000 1.322 184 H CB 0.033 29.788 29.762 -0.013 0.000 1.426 184 H HN 0.353 nan 8.280 nan 0.000 0.546 185 L N 0.408 121.636 121.223 0.008 0.000 2.201 185 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 185 L C 2.729 179.503 176.870 -0.160 0.000 1.105 185 L CA 0.650 55.440 54.840 -0.083 0.000 0.775 185 L CB -0.220 41.794 42.059 -0.076 0.000 0.913 185 L HN 0.297 nan 8.230 nan 0.000 0.440 186 A N -0.738 121.956 122.820 -0.211 0.000 1.970 186 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 186 A C 2.261 179.446 177.584 -0.665 0.000 1.170 186 A CA 1.227 53.081 52.037 -0.305 0.000 0.645 186 A CB -0.322 18.571 19.000 -0.177 0.000 0.816 186 A HN 0.450 nan 8.150 nan 0.000 0.447 187 Q N -0.813 118.550 119.800 -0.728 0.000 2.123 187 Q HA -0.109 4.231 4.340 -0.000 0.000 0.199 187 Q C 1.757 177.639 176.000 -0.197 0.000 0.966 187 Q CA 1.762 57.151 55.803 -0.691 0.000 0.845 187 Q CB -0.079 28.417 28.738 -0.403 0.000 0.907 187 Q HN 0.555 nan 8.270 nan 0.000 0.439 188 T N 0.346 114.826 114.554 -0.123 0.000 2.942 188 T HA 0.044 4.394 4.350 -0.000 0.000 0.265 188 T C 1.652 176.364 174.700 0.020 0.000 1.062 188 T CA 0.824 62.912 62.100 -0.020 0.000 1.139 188 T CB -0.087 68.785 68.868 0.007 0.000 0.883 188 T HN 0.401 nan 8.240 nan 0.000 0.468 189 A N 0.941 123.751 122.820 -0.016 0.000 1.854 189 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 189 A C 2.079 179.812 177.584 0.249 0.000 1.192 189 A CA 1.464 53.563 52.037 0.103 0.000 0.611 189 A CB -1.055 17.971 19.000 0.043 0.000 0.832 189 A HN 0.599 nan 8.150 nan 0.000 0.442 190 Y N 0.031 120.349 120.300 0.029 0.000 2.145 190 Y HA -0.156 4.394 4.550 -0.000 0.000 0.286 190 Y C 2.355 178.302 175.900 0.079 0.000 1.145 190 Y CA 2.078 60.220 58.100 0.071 0.000 1.148 190 Y CB -0.269 38.245 38.460 0.090 0.000 0.981 190 Y HN 0.139 nan 8.280 nan 0.000 0.507 191 R N 0.325 120.714 120.500 -0.186 0.000 2.241 191 R HA -0.149 4.191 4.340 -0.000 0.000 0.224 191 R C 1.993 178.247 176.300 -0.077 0.000 1.101 191 R CA 1.244 57.195 56.100 -0.248 0.000 0.995 191 R CB -1.054 29.238 30.300 -0.013 0.000 0.870 191 R HN 0.572 nan 8.270 nan 0.000 0.463 192 F N 0.213 120.107 119.950 -0.094 0.000 2.074 192 F HA 0.103 4.630 4.527 -0.000 0.000 0.290 192 F C 1.736 177.544 175.800 0.013 0.000 1.118 192 F CA 1.236 59.221 58.000 -0.025 0.000 1.199 192 F CB -0.832 38.165 39.000 -0.004 0.000 1.012 192 F HN -0.081 nan 8.300 nan 0.000 0.472 193 A N -0.025 122.269 122.820 -0.877 0.000 2.258 193 A HA 0.339 4.659 4.320 -0.000 0.000 0.206 193 A C 1.563 178.997 177.584 -0.249 0.000 1.222 193 A CA 0.666 52.238 52.037 -0.774 0.000 0.822 193 A CB -1.692 17.023 19.000 -0.475 0.000 0.804 193 A HN 0.602 nan 8.150 nan 0.000 0.483 194 G N -0.489 108.157 108.800 -0.256 0.000 4.828 194 G HA2 0.446 4.406 3.960 -0.000 0.000 0.294 194 G HA3 0.446 4.406 3.960 -0.000 0.000 0.294 194 G C 0.186 175.036 174.900 -0.083 0.000 1.288 194 G CA 0.431 45.388 45.100 -0.237 0.000 0.987 194 G HN 0.614 nan 8.290 nan 0.000 0.587 195 Q N -1.308 118.554 119.800 0.105 0.000 1.687 195 Q HA 0.323 4.663 4.340 -0.000 0.000 0.173 195 Q C -0.717 175.336 176.000 0.088 0.000 0.704 195 Q CA -0.326 55.531 55.803 0.090 0.000 0.762 195 Q CB 0.869 29.614 28.738 0.012 0.000 1.202 195 Q HN 0.161 nan 8.270 nan 0.000 0.384 196 L N 1.698 122.933 121.223 0.020 0.000 2.705 196 L HA 0.513 4.853 4.340 -0.000 0.000 0.260 196 L C -2.879 173.468 176.870 -0.871 0.000 0.921 196 L CA -1.495 53.164 54.840 -0.301 0.000 0.948 196 L CB 2.246 44.200 42.059 -0.176 0.000 1.427 196 L HN -0.084 nan 8.230 nan 0.000 0.432 197 P HA 0.090 nan 4.420 nan 0.000 0.256 197 P C -0.572 176.180 177.300 -0.913 0.000 1.189 197 P CA 0.280 62.279 63.100 -1.835 0.000 0.808 197 P CB 0.346 31.341 31.700 -1.175 0.000 0.793 198 Q N 1.316 120.681 119.800 -0.725 0.000 2.169 198 Q HA 0.452 4.792 4.340 -0.000 0.000 0.234 198 Q C 0.208 176.101 176.000 -0.178 0.000 0.980 198 Q CA -0.526 55.110 55.803 -0.279 0.000 0.941 198 Q CB 1.088 29.768 28.738 -0.097 0.000 1.199 198 Q HN 0.257 nan 8.270 nan 0.000 0.496 199 S N 1.005 116.671 115.700 -0.055 0.000 2.617 199 S HA 0.288 4.758 4.470 -0.000 0.000 0.283 199 S C -1.765 172.861 174.600 0.043 0.000 1.189 199 S CA -1.166 57.024 58.200 -0.017 0.000 1.036 199 S CB 1.157 64.349 63.200 -0.012 0.000 1.014 199 S HN 0.337 nan 8.310 nan 0.000 0.522 200 P HA -0.071 nan 4.420 nan 0.000 0.222 200 P C 0.448 177.789 177.300 0.068 0.000 1.147 200 P CA 0.896 64.035 63.100 0.064 0.000 0.790 200 P CB 0.040 31.770 31.700 0.050 0.000 0.780 201 D N -2.209 118.225 120.400 0.057 0.000 2.559 201 D HA 0.071 4.711 4.640 -0.000 0.000 0.234 201 D C 0.030 176.369 176.300 0.065 0.000 1.226 201 D CA -0.165 53.871 54.000 0.060 0.000 0.830 201 D CB -0.110 40.718 40.800 0.047 0.000 1.028 201 D HN -0.082 nan 8.370 nan 0.000 0.492 202 S N 0.020 115.767 115.700 0.079 0.000 2.585 202 S HA 0.104 4.574 4.470 -0.000 0.000 0.273 202 S C 1.449 176.098 174.600 0.082 0.000 1.339 202 S CA -0.150 58.100 58.200 0.083 0.000 1.028 202 S CB 1.176 64.447 63.200 0.119 0.000 0.906 202 S HN 0.178 nan 8.310 nan 0.000 0.528 203 T N 4.196 118.785 114.554 0.058 0.000 2.720 203 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 203 T C 1.680 176.390 174.700 0.017 0.000 1.037 203 T CA 1.550 63.676 62.100 0.045 0.000 1.144 203 T CB -0.280 68.605 68.868 0.028 0.000 0.864 203 T HN 0.574 nan 8.240 nan 0.000 0.444 204 M N 0.856 120.436 119.600 -0.034 0.000 2.557 204 M HA 0.113 4.593 4.480 -0.000 0.000 0.259 204 M C 1.705 177.888 176.300 -0.194 0.000 1.086 204 M CA 0.599 55.768 55.300 -0.218 0.000 1.096 204 M CB -0.289 32.014 32.600 -0.495 0.000 1.424 204 M HN 0.043 nan 8.290 nan 0.000 0.488 205 V N -1.124 118.826 119.914 0.061 0.000 2.500 205 V HA -0.086 4.034 4.120 -0.000 0.000 0.243 205 V C 2.154 178.321 176.094 0.121 0.000 1.039 205 V CA 1.588 63.994 62.300 0.176 0.000 1.053 205 V CB -0.649 31.313 31.823 0.233 0.000 0.695 205 V HN 0.626 nan 8.190 nan 0.000 0.463 206 S N -1.154 114.614 115.700 0.114 0.000 2.481 206 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 206 S C 1.898 176.629 174.600 0.217 0.000 0.996 206 S CA 1.542 59.827 58.200 0.142 0.000 0.942 206 S CB -0.279 63.018 63.200 0.162 0.000 0.768 206 S HN 0.521 nan 8.310 nan 0.000 0.520 207 T N 0.962 115.603 114.554 0.146 0.000 2.976 207 T HA 0.208 4.558 4.350 -0.000 0.000 0.257 207 T C 1.490 176.246 174.700 0.093 0.000 1.051 207 T CA 0.567 62.750 62.100 0.138 0.000 1.141 207 T CB -0.386 68.505 68.868 0.038 0.000 0.881 207 T HN 0.308 nan 8.240 nan 0.000 0.461 208 I N 1.157 121.735 120.570 0.014 0.000 2.546 208 I HA 0.170 4.340 4.170 -0.000 0.000 0.255 208 I C 2.379 178.550 176.117 0.090 0.000 1.163 208 I CA 1.021 62.313 61.300 -0.013 0.000 1.457 208 I CB -0.302 37.668 38.000 -0.050 0.000 1.092 208 I HN 0.116 nan 8.210 nan 0.000 0.434 209 R N -1.053 119.515 120.500 0.114 0.000 2.093 209 R HA -0.173 4.167 4.340 -0.000 0.000 0.224 209 R C 2.151 178.515 176.300 0.107 0.000 1.101 209 R CA 1.253 57.405 56.100 0.087 0.000 0.979 209 R CB -0.504 29.810 30.300 0.023 0.000 0.877 209 R HN 0.445 nan 8.270 nan 0.000 0.441 210 W N 0.182 121.535 121.300 0.089 0.000 2.519 210 W HA -0.101 4.559 4.660 -0.000 0.000 0.266 210 W C 1.646 178.250 176.519 0.142 0.000 1.253 210 W CA -0.010 57.404 57.345 0.115 0.000 1.274 210 W CB 0.246 29.754 29.460 0.079 0.000 1.114 210 W HN 0.180 nan 8.180 nan 0.000 0.596 211 L N -0.637 120.797 121.223 0.352 0.000 2.341 211 L HA 0.013 4.353 4.340 -0.000 0.000 0.214 211 L C 2.350 179.443 176.870 0.371 0.000 1.115 211 L CA 1.802 56.819 54.840 0.294 0.000 0.820 211 L CB -0.812 41.313 42.059 0.109 0.000 0.944 211 L HN -0.180 nan 8.230 nan 0.000 0.452 212 S N -0.786 115.094 115.700 0.301 0.000 2.362 212 S HA 0.009 4.479 4.470 -0.000 0.000 0.221 212 S C 2.097 176.948 174.600 0.417 0.000 1.032 212 S CA 0.847 59.236 58.200 0.316 0.000 0.973 212 S CB -0.236 63.086 63.200 0.203 0.000 0.849 212 S HN 0.538 nan 8.310 nan 0.000 0.465 213 A N 0.867 123.892 122.820 0.342 0.000 2.066 213 A HA 0.181 4.501 4.320 -0.000 0.000 0.218 213 A C 2.052 180.011 177.584 0.625 0.000 1.157 213 A CA 0.848 53.105 52.037 0.366 0.000 0.670 213 A CB -0.595 18.484 19.000 0.130 0.000 0.804 213 A HN 0.639 nan 8.150 nan 0.000 0.453 214 I N -1.175 119.788 120.570 0.655 0.000 2.928 214 I HA -0.116 4.054 4.170 -0.000 0.000 0.266 214 I C 2.121 178.618 176.117 0.634 0.000 1.234 214 I CA 0.609 62.295 61.300 0.644 0.000 1.483 214 I CB -0.066 38.292 38.000 0.597 0.000 1.097 214 I HN 0.803 nan 8.210 nan 0.000 0.455 215 W N 0.441 121.971 121.300 0.383 0.000 2.576 215 W HA -0.198 4.462 4.660 -0.000 0.000 0.275 215 W C 1.873 178.464 176.519 0.121 0.000 1.241 215 W CA 0.192 57.557 57.345 0.034 0.000 1.328 215 W CB -0.448 28.860 29.460 -0.253 0.000 1.092 215 W HN 0.133 nan 8.180 nan 0.000 0.586 216 F N 2.399 122.249 119.950 -0.166 0.000 2.134 216 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 216 F C 2.451 178.149 175.800 -0.171 0.000 1.097 216 F CA 2.860 60.691 58.000 -0.281 0.000 1.264 216 F CB -0.858 38.154 39.000 0.021 0.000 1.001 216 F HN -0.127 nan 8.300 nan 0.000 0.479 217 G N -0.950 107.945 108.800 0.160 0.000 2.422 217 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 217 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 217 G C 1.755 176.601 174.900 -0.090 0.000 1.146 217 G CA 1.011 46.153 45.100 0.070 0.000 0.769 217 G HN 0.439 nan 8.290 nan 0.000 0.547 218 S N 0.254 115.946 115.700 -0.013 0.000 2.371 218 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 218 S C 2.081 176.659 174.600 -0.037 0.000 1.029 218 S CA 0.812 59.124 58.200 0.186 0.000 0.978 218 S CB -0.243 63.258 63.200 0.502 0.000 0.833 218 S HN 0.226 nan 8.310 nan 0.000 0.466 219 L N 1.885 122.766 121.223 -0.569 0.000 2.191 219 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 219 L C 1.899 178.283 176.870 -0.810 0.000 1.103 219 L CA 1.637 55.963 54.840 -0.857 0.000 0.769 219 L CB -0.945 40.386 42.059 -1.212 0.000 0.908 219 L HN 0.212 nan 8.230 nan 0.000 0.438 220 T N -1.325 112.785 114.554 -0.741 0.000 3.057 220 T HA 0.295 4.645 4.350 -0.000 0.000 0.254 220 T C 1.352 175.778 174.700 -0.456 0.000 1.094 220 T CA 0.647 62.359 62.100 -0.647 0.000 1.088 220 T CB 0.163 68.650 68.868 -0.635 0.000 0.934 220 T HN 0.549 nan 8.240 nan 0.000 0.497 221 G N 1.569 110.176 108.800 -0.321 0.000 2.213 221 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.226 221 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.226 221 G C 1.027 175.929 174.900 0.004 0.000 0.992 221 G CA 0.521 45.521 45.100 -0.167 0.000 0.632 221 G HN 0.368 nan 8.290 nan 0.000 0.511 222 R N 0.526 121.001 120.500 -0.043 0.000 2.096 222 R HA 0.167 4.507 4.340 -0.000 0.000 0.235 222 R C 1.492 177.793 176.300 0.002 0.000 1.127 222 R CA 1.479 57.588 56.100 0.014 0.000 0.968 222 R CB -0.424 29.920 30.300 0.074 0.000 0.861 222 R HN 0.447 nan 8.270 nan 0.000 0.440 223 L N 1.940 123.154 121.223 -0.015 0.000 2.657 223 L HA 0.252 4.592 4.340 -0.000 0.000 0.239 223 L C 0.002 176.943 176.870 0.118 0.000 1.215 223 L CA -0.620 54.199 54.840 -0.035 0.000 1.161 223 L CB -0.082 41.905 42.059 -0.119 0.000 1.436 223 L HN 0.369 nan 8.230 nan 0.000 0.414 224 N N -0.189 118.559 118.700 0.081 0.000 2.465 224 N HA 0.144 4.884 4.740 -0.000 0.000 0.294 224 N C 1.218 176.513 175.510 -0.358 0.000 1.333 224 N CA -0.790 52.313 53.050 0.089 0.000 0.932 224 N CB 0.425 39.010 38.487 0.163 0.000 1.092 224 N HN 0.143 nan 8.380 nan 0.000 0.519 225 R N -0.883 119.336 120.500 -0.470 0.000 2.148 225 R HA 0.071 4.411 4.340 -0.000 0.000 0.223 225 R C 0.583 176.527 176.300 -0.593 0.000 1.088 225 R CA 0.926 56.537 56.100 -0.815 0.000 0.985 225 R CB -0.112 29.931 30.300 -0.428 0.000 0.880 225 R HN 0.566 nan 8.270 nan 0.000 0.451 226 S N -0.288 115.200 115.700 -0.354 0.000 2.572 226 S HA 0.181 4.651 4.470 -0.000 0.000 0.228 226 S C 0.017 174.496 174.600 -0.201 0.000 0.963 226 S CA -0.318 57.734 58.200 -0.247 0.000 0.939 226 S CB 0.400 63.504 63.200 -0.159 0.000 0.804 226 S HN 0.209 nan 8.310 nan 0.000 0.480 227 R N 2.434 122.798 120.500 -0.226 0.000 2.984 227 R HA 0.142 4.482 4.340 -0.000 0.000 0.252 227 R C -0.670 175.528 176.300 -0.171 0.000 1.842 227 R CA -0.085 55.923 56.100 -0.154 0.000 1.389 227 R CB 0.226 30.478 30.300 -0.081 0.000 1.454 227 R HN 0.275 nan 8.270 nan 0.000 0.578 228 T N -1.526 112.916 114.554 -0.187 0.000 2.899 228 T HA 0.104 4.454 4.350 -0.000 0.000 0.284 228 T C 1.318 175.956 174.700 -0.103 0.000 1.004 228 T CA -0.735 61.284 62.100 -0.136 0.000 1.043 228 T CB 1.668 70.436 68.868 -0.166 0.000 1.013 228 T HN 0.580 nan 8.240 nan 0.000 0.518 229 C N 1.599 120.856 119.300 -0.072 0.000 2.486 229 C HA 0.246 4.706 4.460 -0.000 0.000 0.279 229 C C 1.352 176.354 174.990 0.020 0.000 1.302 229 C CA 0.688 59.694 59.018 -0.020 0.000 1.720 229 C CB -1.528 26.238 27.740 0.044 0.000 2.030 229 C HN 1.044 nan 8.230 nan 0.000 0.490 230 N N -1.751 116.967 118.700 0.029 0.000 2.471 230 N HA 0.276 5.016 4.740 -0.000 0.000 0.264 230 N C 0.198 175.675 175.510 -0.055 0.000 1.493 230 N CA 0.921 53.979 53.050 0.014 0.000 0.932 230 N CB 0.268 38.769 38.487 0.023 0.000 1.405 230 N HN 0.582 nan 8.380 nan 0.000 0.505 231 G N -0.419 108.228 108.800 -0.255 0.000 2.176 231 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.232 231 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.232 231 G C -0.351 174.074 174.900 -0.791 0.000 0.986 231 G CA -0.042 44.616 45.100 -0.737 0.000 0.643 231 G HN 0.231 nan 8.290 nan 0.000 0.522 232 F N 0.247 120.185 119.950 -0.019 0.000 2.520 232 F HA 0.789 5.316 4.527 -0.000 0.000 0.322 232 F C 0.359 176.226 175.800 0.111 0.000 1.103 232 F CA -0.852 57.173 58.000 0.042 0.000 0.926 232 F CB 1.623 40.655 39.000 0.053 0.000 1.154 232 F HN 0.331 nan 8.300 nan 0.000 0.453 233 Y N -0.598 119.704 120.300 0.004 0.000 2.958 233 Y HA 0.790 5.340 4.550 -0.000 0.000 0.315 233 Y C -2.225 173.562 175.900 -0.189 0.000 1.541 233 Y CA -2.220 55.898 58.100 0.030 0.000 1.087 233 Y CB 1.378 39.855 38.460 0.028 0.000 1.593 233 Y HN 0.298 nan 8.280 nan 0.000 0.446 234 F N 1.215 121.246 119.950 0.134 0.000 2.612 234 F HA 0.328 4.855 4.527 -0.000 0.000 0.332 234 F C -0.908 174.858 175.800 -0.057 0.000 1.167 234 F CA -0.996 56.956 58.000 -0.080 0.000 0.970 234 F CB 1.929 40.952 39.000 0.039 0.000 1.234 234 F HN 0.511 nan 8.300 nan 0.000 0.453 235 E N 2.664 122.844 120.200 -0.033 0.000 2.257 235 E HA 0.372 4.722 4.350 -0.000 0.000 0.278 235 E C -1.385 175.212 176.600 -0.005 0.000 1.049 235 E CA -0.286 56.173 56.400 0.099 0.000 0.876 235 E CB 0.754 30.494 29.700 0.067 0.000 1.035 235 E HN 0.330 nan 8.360 nan 0.000 0.419 236 F N 2.168 122.283 119.950 0.274 0.000 2.408 236 F HA 0.452 4.979 4.527 -0.000 0.000 0.344 236 F C 0.803 176.728 175.800 0.207 0.000 1.112 236 F CA -0.601 57.596 58.000 0.328 0.000 1.096 236 F CB 1.539 40.886 39.000 0.578 0.000 1.129 236 F HN 0.674 nan 8.300 nan 0.000 0.486 237 A N 3.055 126.074 122.820 0.330 0.000 2.250 237 A HA 0.521 4.841 4.320 -0.000 0.000 0.283 237 A C -0.144 177.574 177.584 0.224 0.000 1.206 237 A CA -0.757 51.399 52.037 0.198 0.000 0.840 237 A CB 0.308 19.383 19.000 0.125 0.000 1.220 237 A HN 0.668 nan 8.150 nan 0.000 0.505 238 K N 1.132 121.613 120.400 0.136 0.000 2.448 238 K HA 0.170 4.490 4.320 -0.000 0.000 0.278 238 K C -1.725 174.943 176.600 0.114 0.000 1.009 238 K CA -1.078 55.279 56.287 0.117 0.000 0.995 238 K CB 0.414 32.955 32.500 0.069 0.000 0.917 238 K HN 0.401 nan 8.250 nan 0.000 0.481 239 P HA -0.146 nan 4.420 nan 0.000 0.223 239 P C 0.253 177.545 177.300 -0.014 0.000 1.151 239 P CA 1.005 64.171 63.100 0.109 0.000 0.787 239 P CB 0.283 32.176 31.700 0.321 0.000 0.788 240 A N -0.588 122.256 122.820 0.040 0.000 2.218 240 A HA 0.153 4.473 4.320 -0.000 0.000 0.209 240 A C 1.549 179.146 177.584 0.020 0.000 1.168 240 A CA 0.333 52.391 52.037 0.035 0.000 0.804 240 A CB -0.661 18.370 19.000 0.053 0.000 0.834 240 A HN 0.165 nan 8.150 nan 0.000 0.482 241 L N 0.716 121.950 121.223 0.018 0.000 2.892 241 L HA 0.282 4.622 4.340 -0.000 0.000 0.251 241 L C -0.275 176.604 176.870 0.015 0.000 1.339 241 L CA -0.433 54.420 54.840 0.022 0.000 0.900 241 L CB -0.233 41.846 42.059 0.033 0.000 1.246 241 L HN 0.466 nan 8.230 nan 0.000 0.524 242 N N 2.180 120.867 118.700 -0.021 0.000 2.469 242 N HA -0.094 4.646 4.740 -0.000 0.000 0.283 242 N C -2.072 173.438 175.510 -0.001 0.000 1.326 242 N CA 0.086 53.120 53.050 -0.026 0.000 0.646 242 N CB 0.509 39.007 38.487 0.018 0.000 0.894 242 N HN 0.211 nan 8.380 nan 0.000 0.533 243 P HA 0.019 nan 4.420 nan 0.000 0.241 243 P C 0.304 177.732 177.300 0.214 0.000 1.191 243 P CA 0.745 63.899 63.100 0.090 0.000 0.771 243 P CB 0.186 31.869 31.700 -0.028 0.000 0.929 244 D N -0.776 119.699 120.400 0.125 0.000 2.219 244 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 244 D C 0.861 177.249 176.300 0.145 0.000 0.970 244 D CA 0.902 55.002 54.000 0.167 0.000 0.851 244 D CB -0.372 40.495 40.800 0.112 0.000 0.943 244 D HN 0.096 nan 8.370 nan 0.000 0.488 245 Q N 0.039 119.906 119.800 0.112 0.000 2.271 245 Q HA 0.363 4.703 4.340 -0.000 0.000 0.273 245 Q C 0.277 176.302 176.000 0.042 0.000 1.051 245 Q CA -0.044 55.790 55.803 0.053 0.000 0.901 245 Q CB 1.456 30.217 28.738 0.039 0.000 1.174 245 Q HN 0.221 nan 8.270 nan 0.000 0.385 246 A N 2.189 124.997 122.820 -0.020 0.000 2.018 246 A HA 0.433 4.753 4.320 -0.000 0.000 0.201 246 A C -0.114 177.493 177.584 0.038 0.000 1.892 246 A CA 0.532 52.525 52.037 -0.074 0.000 0.962 246 A CB 0.236 19.232 19.000 -0.007 0.000 1.195 246 A HN 0.502 nan 8.150 nan 0.000 0.615 247 V N -0.473 119.505 119.914 0.107 0.000 3.532 247 V HA -0.169 3.951 4.120 -0.000 0.000 0.505 247 V C -0.324 175.594 176.094 -0.294 0.000 0.682 247 V CA 0.515 62.794 62.300 -0.036 0.000 2.056 247 V CB -0.874 30.891 31.823 -0.096 0.000 2.484 247 V HN 1.090 nan 8.190 nan 0.000 0.509 248 L N 6.140 127.092 121.223 -0.452 0.000 2.389 248 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 248 L C 0.590 177.200 176.870 -0.432 0.000 1.167 248 L CA 0.163 54.529 54.840 -0.791 0.000 1.045 248 L CB 0.096 41.833 42.059 -0.538 0.000 1.351 248 L HN 0.568 nan 8.230 nan 0.000 0.419 249 K N 2.721 122.738 120.400 -0.638 0.000 2.295 249 K HA 0.070 4.390 4.320 -0.000 0.000 0.270 249 K C -0.949 175.441 176.600 -0.350 0.000 1.011 249 K CA -0.106 55.876 56.287 -0.509 0.000 0.953 249 K CB 0.895 32.988 32.500 -0.678 0.000 0.956 249 K HN 0.601 nan 8.250 nan 0.000 0.477 250 W N 2.607 123.757 121.300 -0.250 0.000 2.478 250 W HA 0.255 4.915 4.660 -0.000 0.000 0.318 250 W C -0.190 176.282 176.519 -0.079 0.000 1.062 250 W CA -0.206 56.998 57.345 -0.234 0.000 1.210 250 W CB 1.006 30.281 29.460 -0.308 0.000 1.325 250 W HN 0.607 nan 8.180 nan 0.000 0.496 251 N N 1.848 120.144 118.700 -0.673 0.000 3.102 251 N HA 0.307 5.047 4.740 -0.000 0.000 0.299 251 N C -1.261 173.582 175.510 -1.113 0.000 1.482 251 N CA -0.479 52.206 53.050 -0.607 0.000 0.785 251 N CB 1.869 40.210 38.487 -0.244 0.000 1.680 251 N HN 0.467 nan 8.380 nan 0.000 0.594 252 D N -0.520 119.495 120.400 -0.641 0.000 2.804 252 D HA 0.277 4.917 4.640 -0.000 0.000 0.308 252 D C 0.180 176.295 176.300 -0.309 0.000 1.371 252 D CA -0.142 53.550 54.000 -0.514 0.000 0.823 252 D CB 0.345 40.945 40.800 -0.335 0.000 1.126 252 D HN 0.588 nan 8.370 nan 0.000 0.467 253 G N 0.265 108.879 108.800 -0.310 0.000 2.514 253 G HA2 0.416 4.376 3.960 -0.000 0.000 0.245 253 G HA3 0.416 4.376 3.960 -0.000 0.000 0.245 253 G C 0.033 174.823 174.900 -0.184 0.000 1.488 253 G CA -0.181 44.784 45.100 -0.226 0.000 1.063 253 G HN 0.189 nan 8.290 nan 0.000 0.557 254 A N 0.087 122.817 122.820 -0.151 0.000 2.415 254 A HA 0.590 4.910 4.320 -0.000 0.000 0.309 254 A C 0.584 178.104 177.584 -0.105 0.000 1.356 254 A CA -0.412 51.560 52.037 -0.109 0.000 0.998 254 A CB -0.068 18.884 19.000 -0.080 0.000 1.145 254 A HN 0.504 nan 8.150 nan 0.000 0.545 255 R N 1.121 121.563 120.500 -0.097 0.000 2.863 255 R HA 0.408 4.748 4.340 -0.000 0.000 0.273 255 R C 1.232 177.519 176.300 -0.021 0.000 1.057 255 R CA 0.764 56.821 56.100 -0.072 0.000 1.191 255 R CB 0.245 30.511 30.300 -0.056 0.000 1.104 255 R HN 0.765 nan 8.270 nan 0.000 0.519 256 A N 0.555 123.387 122.820 0.020 0.000 3.720 256 A HA 0.728 5.048 4.320 -0.000 0.000 0.157 256 A C -0.322 177.322 177.584 0.100 0.000 1.736 256 A CA 0.613 52.698 52.037 0.080 0.000 1.289 256 A CB -0.276 18.823 19.000 0.164 0.000 1.598 256 A HN 0.729 nan 8.150 nan 0.000 0.692 257 A N -1.175 121.741 122.820 0.160 0.000 2.583 257 A HA 0.601 4.921 4.320 -0.000 0.000 0.298 257 A C -3.149 174.534 177.584 0.165 0.000 1.055 257 A CA -0.945 51.172 52.037 0.132 0.000 0.714 257 A CB 0.515 19.569 19.000 0.091 0.000 1.277 257 A HN 0.471 nan 8.150 nan 0.000 0.406 258 P HA 0.237 nan 4.420 nan 0.000 0.264 258 P C -2.432 174.927 177.300 0.097 0.000 1.193 258 P CA -0.315 62.876 63.100 0.152 0.000 0.763 258 P CB -0.105 31.680 31.700 0.142 0.000 0.810 259 P HA 0.003 nan 4.420 nan 0.000 0.270 259 P C 0.736 178.052 177.300 0.026 0.000 1.223 259 P CA -0.139 62.976 63.100 0.024 0.000 0.785 259 P CB 0.607 32.289 31.700 -0.030 0.000 0.923 260 A N 1.379 124.210 122.820 0.018 0.000 2.019 260 A HA 0.217 4.537 4.320 -0.000 0.000 0.219 260 A C 1.174 178.765 177.584 0.011 0.000 1.164 260 A CA 1.789 53.837 52.037 0.017 0.000 0.644 260 A CB -0.707 18.301 19.000 0.014 0.000 0.805 260 A HN 0.823 nan 8.150 nan 0.000 0.449 261 A N -2.335 120.484 122.820 -0.001 0.000 2.567 261 A HA 0.730 5.050 4.320 -0.000 0.000 0.289 261 A C -0.058 177.511 177.584 -0.026 0.000 1.177 261 A CA -0.156 51.876 52.037 -0.007 0.000 0.694 261 A CB 0.028 19.023 19.000 -0.008 0.000 1.292 261 A HN 1.373 nan 8.150 nan 0.000 0.425 262 A N 0.054 122.857 122.820 -0.029 0.000 2.440 262 A HA 0.510 4.830 4.320 -0.000 0.000 0.251 262 A C -0.073 177.465 177.584 -0.076 0.000 1.089 262 A CA -0.011 51.993 52.037 -0.054 0.000 0.779 262 A CB 0.027 19.004 19.000 -0.039 0.000 1.022 262 A HN 0.573 nan 8.150 nan 0.000 0.492 263 Q N 1.802 121.526 119.800 -0.126 0.000 2.302 263 Q HA 0.165 4.505 4.340 -0.000 0.000 0.332 263 Q C -0.355 175.527 176.000 -0.196 0.000 0.913 263 Q CA -0.013 55.700 55.803 -0.151 0.000 1.098 263 Q CB 0.234 28.858 28.738 -0.189 0.000 1.236 263 Q HN 0.696 nan 8.270 nan 0.000 0.436 264 S N 0.940 116.554 115.700 -0.143 0.000 2.515 264 S HA 0.246 4.716 4.470 -0.000 0.000 0.285 264 S C 0.222 174.729 174.600 -0.156 0.000 1.265 264 S CA 0.207 58.321 58.200 -0.144 0.000 1.079 264 S CB 0.491 63.731 63.200 0.067 0.000 0.877 264 S HN 0.217 nan 8.310 nan 0.000 0.493 265 S N 2.051 117.521 115.700 -0.384 0.000 2.584 265 S HA 0.385 4.855 4.470 -0.000 0.000 0.280 265 S C -1.510 172.878 174.600 -0.353 0.000 1.162 265 S CA -0.708 57.350 58.200 -0.237 0.000 0.951 265 S CB 0.359 63.436 63.200 -0.205 0.000 1.108 265 S HN 0.519 nan 8.310 nan 0.000 0.464 266 Y N 3.908 124.160 120.300 -0.081 0.000 2.346 266 Y HA 0.479 5.029 4.550 -0.000 0.000 0.330 266 Y C 0.737 176.454 175.900 -0.306 0.000 1.178 266 Y CA -0.271 57.745 58.100 -0.140 0.000 1.331 266 Y CB 0.518 38.944 38.460 -0.056 0.000 1.253 266 Y HN 0.417 nan 8.280 nan 0.000 0.529 267 I N 3.279 123.590 120.570 -0.431 0.000 2.740 267 I HA 0.548 4.718 4.170 -0.000 0.000 0.303 267 I C -0.341 175.460 176.117 -0.528 0.000 1.044 267 I CA -1.169 59.840 61.300 -0.485 0.000 1.064 267 I CB 2.110 39.761 38.000 -0.582 0.000 1.249 267 I HN 0.637 nan 8.210 nan 0.000 0.433 268 R N 2.470 122.791 120.500 -0.298 0.000 2.799 268 R HA 0.570 4.910 4.340 -0.000 0.000 0.270 268 R C -1.614 174.366 176.300 -0.534 0.000 1.010 268 R CA -0.446 55.450 56.100 -0.340 0.000 0.916 268 R CB 2.117 32.244 30.300 -0.289 0.000 1.228 268 R HN 0.729 nan 8.270 nan 0.000 0.469 269 C N 5.959 124.926 119.300 -0.556 0.000 2.439 269 C HA 0.411 4.871 4.460 -0.000 0.000 0.298 269 C C 1.693 176.466 174.990 -0.362 0.000 1.094 269 C CA -0.699 57.923 59.018 -0.660 0.000 1.609 269 C CB -1.582 25.894 27.740 -0.439 0.000 1.723 269 C HN 0.945 nan 8.230 nan 0.000 0.423 270 I N 2.591 122.983 120.570 -0.296 0.000 2.181 270 I HA -0.150 4.020 4.170 -0.000 0.000 0.247 270 I C 1.809 177.859 176.117 -0.111 0.000 1.081 270 I CA 1.426 62.621 61.300 -0.175 0.000 1.340 270 I CB -0.335 37.582 38.000 -0.140 0.000 1.036 270 I HN 0.656 nan 8.210 nan 0.000 0.417 271 S N 1.396 117.026 115.700 -0.115 0.000 2.516 271 S HA 0.097 4.567 4.470 -0.000 0.000 0.282 271 S C -1.597 172.995 174.600 -0.013 0.000 1.286 271 S CA -1.213 56.891 58.200 -0.160 0.000 1.066 271 S CB 0.691 63.724 63.200 -0.277 0.000 0.884 271 S HN -0.044 nan 8.310 nan 0.000 0.491 272 P HA -0.045 nan 4.420 nan 0.000 0.240 272 P C 0.278 177.584 177.300 0.009 0.000 1.186 272 P CA 0.937 63.951 63.100 -0.143 0.000 0.755 272 P CB -0.162 31.009 31.700 -0.881 0.000 0.870 273 H N -1.732 117.408 119.070 0.118 0.000 2.457 273 H HA -0.111 4.445 4.556 -0.000 0.000 0.294 273 H C 1.880 177.235 175.328 0.045 0.000 1.064 273 H CA 0.638 56.722 56.048 0.060 0.000 1.330 273 H CB -0.275 29.542 29.762 0.093 0.000 1.395 273 H HN 0.407 nan 8.280 nan 0.000 0.541 274 W N 2.281 123.675 121.300 0.156 0.000 2.341 274 W HA -0.215 4.445 4.660 -0.000 0.000 0.283 274 W C 1.159 177.747 176.519 0.114 0.000 1.215 274 W CA 0.685 58.101 57.345 0.118 0.000 1.211 274 W CB -0.759 28.720 29.460 0.033 0.000 1.131 274 W HN 0.306 nan 8.180 nan 0.000 0.552 275 Q N -0.071 119.205 119.800 -0.875 0.000 2.077 275 Q HA -0.284 4.056 4.340 -0.000 0.000 0.206 275 Q C 2.055 177.929 176.000 -0.210 0.000 0.989 275 Q CA 2.366 57.679 55.803 -0.817 0.000 0.853 275 Q CB -0.577 27.747 28.738 -0.689 0.000 0.907 275 Q HN 0.359 nan 8.270 nan 0.000 0.418 276 H N -0.386 118.565 119.070 -0.199 0.000 2.575 276 H HA 0.196 4.752 4.556 -0.000 0.000 0.267 276 H C -0.214 175.120 175.328 0.011 0.000 0.966 276 H CA 0.153 56.140 56.048 -0.103 0.000 1.165 276 H CB 0.506 30.192 29.762 -0.126 0.000 1.433 276 H HN 0.094 nan 8.280 nan 0.000 0.544 277 Q N 0.749 120.580 119.800 0.052 0.000 2.349 277 Q HA 0.106 4.446 4.340 -0.000 0.000 0.254 277 Q C 0.812 176.913 176.000 0.169 0.000 0.980 277 Q CA -0.343 55.534 55.803 0.122 0.000 0.924 277 Q CB 1.575 30.456 28.738 0.239 0.000 1.209 277 Q HN 0.336 nan 8.270 nan 0.000 0.445 278 I N 3.400 124.048 120.570 0.130 0.000 2.567 278 I HA -0.199 3.971 4.170 -0.000 0.000 0.257 278 I C 1.496 177.735 176.117 0.203 0.000 1.184 278 I CA 1.148 62.548 61.300 0.165 0.000 1.451 278 I CB 0.088 38.169 38.000 0.134 0.000 1.089 278 I HN 0.554 nan 8.210 nan 0.000 0.441 279 V N 0.286 120.338 119.914 0.229 0.000 2.488 279 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 279 V C 2.334 178.625 176.094 0.329 0.000 1.046 279 V CA 1.717 64.169 62.300 0.254 0.000 1.053 279 V CB -0.408 31.627 31.823 0.353 0.000 0.679 279 V HN 0.403 nan 8.190 nan 0.000 0.458 280 E N 0.152 120.578 120.200 0.377 0.000 2.072 280 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 280 E C 2.258 179.083 176.600 0.374 0.000 0.982 280 E CA 1.489 58.146 56.400 0.428 0.000 0.803 280 E CB -0.527 29.450 29.700 0.463 0.000 0.755 280 E HN 0.556 nan 8.360 nan 0.000 0.453 281 V N 1.718 121.858 119.914 0.376 0.000 2.515 281 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 281 V C 2.397 178.708 176.094 0.361 0.000 1.058 281 V CA 1.663 64.206 62.300 0.404 0.000 1.064 281 V CB -0.826 31.238 31.823 0.401 0.000 0.675 281 V HN 0.213 nan 8.190 nan 0.000 0.461 282 A N 0.725 123.721 122.820 0.293 0.000 1.897 282 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 282 A C 2.423 180.049 177.584 0.070 0.000 1.181 282 A CA 1.620 53.797 52.037 0.234 0.000 0.620 282 A CB -1.126 17.938 19.000 0.106 0.000 0.821 282 A HN 0.497 nan 8.150 nan 0.000 0.443 283 G N -0.493 108.332 108.800 0.041 0.000 2.432 283 G HA2 0.038 3.998 3.960 -0.000 0.000 0.219 283 G HA3 0.038 3.998 3.960 -0.000 0.000 0.219 283 G C 1.659 176.475 174.900 -0.139 0.000 1.135 283 G CA 1.414 46.516 45.100 0.002 0.000 0.767 283 G HN 0.732 nan 8.290 nan 0.000 0.550 284 A N 0.662 123.466 122.820 -0.027 0.000 1.854 284 A HA 0.194 4.514 4.320 -0.000 0.000 0.214 284 A C 2.348 180.029 177.584 0.163 0.000 1.192 284 A CA 1.018 53.037 52.037 -0.031 0.000 0.611 284 A CB -0.431 18.665 19.000 0.160 0.000 0.832 284 A HN 0.307 nan 8.150 nan 0.000 0.442 285 L N -0.733 120.672 121.223 0.304 0.000 2.362 285 L HA -0.085 4.255 4.340 -0.000 0.000 0.219 285 L C 2.646 179.682 176.870 0.276 0.000 1.134 285 L CA 0.593 55.661 54.840 0.380 0.000 0.807 285 L CB -0.348 42.015 42.059 0.507 0.000 0.927 285 L HN 0.423 nan 8.230 nan 0.000 0.447 286 M N -0.940 118.750 119.600 0.151 0.000 2.349 286 M HA -0.128 4.352 4.480 -0.000 0.000 0.266 286 M C 2.334 178.702 176.300 0.114 0.000 1.076 286 M CA 1.396 56.743 55.300 0.079 0.000 1.126 286 M CB -0.296 32.275 32.600 -0.047 0.000 1.392 286 M HN 0.186 nan 8.290 nan 0.000 0.440 287 S N -0.477 115.290 115.700 0.112 0.000 2.421 287 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 287 S C 1.664 176.429 174.600 0.274 0.000 1.035 287 S CA 0.737 59.044 58.200 0.178 0.000 0.953 287 S CB 0.032 63.334 63.200 0.170 0.000 0.810 287 S HN 0.525 nan 8.310 nan 0.000 0.497 288 Q N 0.878 120.870 119.800 0.319 0.000 2.226 288 Q HA 0.020 4.360 4.340 -0.000 0.000 0.204 288 Q C 2.193 178.412 176.000 0.365 0.000 0.975 288 Q CA 1.552 57.595 55.803 0.399 0.000 0.866 288 Q CB -0.173 28.801 28.738 0.395 0.000 0.915 288 Q HN 0.490 nan 8.270 nan 0.000 0.440 289 S N -0.741 115.133 115.700 0.290 0.000 2.399 289 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 289 S C 1.831 176.545 174.600 0.190 0.000 1.022 289 S CA 1.154 59.497 58.200 0.237 0.000 0.983 289 S CB -0.059 63.296 63.200 0.258 0.000 0.803 289 S HN 0.202 nan 8.310 nan 0.000 0.480 290 V N 1.167 121.202 119.914 0.203 0.000 2.346 290 V HA -0.080 4.040 4.120 -0.000 0.000 0.244 290 V C 2.185 178.338 176.094 0.099 0.000 1.037 290 V CA 1.680 64.081 62.300 0.168 0.000 1.029 290 V CB -1.303 30.619 31.823 0.165 0.000 0.663 290 V HN 0.421 nan 8.190 nan 0.000 0.454 291 T N 0.530 115.156 114.554 0.120 0.000 3.155 291 T HA 0.094 4.444 4.350 -0.000 0.000 0.264 291 T C 1.734 176.166 174.700 -0.446 0.000 1.160 291 T CA 1.002 63.105 62.100 0.006 0.000 1.075 291 T CB -0.166 68.867 68.868 0.275 0.000 0.921 291 T HN 0.532 nan 8.240 nan 0.000 0.533 292 A N 1.581 124.198 122.820 -0.338 0.000 1.844 292 A HA 0.079 4.399 4.320 -0.000 0.000 0.212 292 A C 2.540 179.986 177.584 -0.229 0.000 1.221 292 A CA 1.078 52.843 52.037 -0.454 0.000 0.607 292 A CB -0.871 18.016 19.000 -0.189 0.000 0.878 292 A HN 0.441 nan 8.150 nan 0.000 0.451 293 V N -2.723 117.170 119.914 -0.036 0.000 2.759 293 V HA 0.024 4.144 4.120 -0.000 0.000 0.256 293 V C 0.730 176.872 176.094 0.080 0.000 1.080 293 V CA 1.669 64.047 62.300 0.129 0.000 1.101 293 V CB -1.190 30.730 31.823 0.163 0.000 0.698 293 V HN 0.316 nan 8.190 nan 0.000 0.477 294 T N 1.751 116.312 114.554 0.012 0.000 2.934 294 T HA 0.639 4.989 4.350 -0.000 0.000 0.328 294 T C 0.491 175.170 174.700 -0.035 0.000 1.068 294 T CA 0.050 62.157 62.100 0.013 0.000 1.018 294 T CB 0.740 69.629 68.868 0.034 0.000 1.009 294 T HN 0.673 nan 8.240 nan 0.000 0.471 295 G N 2.372 111.157 108.800 -0.026 0.000 2.670 295 G HA2 0.274 4.234 3.960 -0.000 0.000 0.233 295 G HA3 0.274 4.234 3.960 -0.000 0.000 0.233 295 G C 0.281 175.199 174.900 0.031 0.000 1.251 295 G CA -0.637 44.456 45.100 -0.011 0.000 0.849 295 G HN 0.841 nan 8.290 nan 0.000 0.588 296 L N 1.829 123.110 121.223 0.098 0.000 2.822 296 L HA -0.108 4.232 4.340 -0.000 0.000 0.288 296 L C -0.900 175.989 176.870 0.031 0.000 1.182 296 L CA -0.642 54.262 54.840 0.108 0.000 0.936 296 L CB 0.236 42.410 42.059 0.192 0.000 1.269 296 L HN 0.468 nan 8.230 nan 0.000 0.476 297 P HA -0.120 nan 4.420 nan 0.000 0.219 297 P C 0.266 177.561 177.300 -0.008 0.000 1.146 297 P CA 1.422 64.471 63.100 -0.087 0.000 0.808 297 P CB 0.329 31.889 31.700 -0.233 0.000 0.779 298 A N -2.676 120.170 122.820 0.043 0.000 2.588 298 A HA 0.573 4.893 4.320 -0.000 0.000 0.309 298 A C -1.444 176.192 177.584 0.086 0.000 1.173 298 A CA -0.652 51.431 52.037 0.076 0.000 0.631 298 A CB 0.056 19.112 19.000 0.093 0.000 1.364 298 A HN -0.091 nan 8.150 nan 0.000 0.526 299 L N 0.577 121.816 121.223 0.027 0.000 2.416 299 L HA 0.528 4.868 4.340 -0.000 0.000 0.262 299 L C -0.454 176.314 176.870 -0.171 0.000 1.093 299 L CA -0.566 54.238 54.840 -0.061 0.000 0.801 299 L CB 1.077 43.099 42.059 -0.063 0.000 1.191 299 L HN 0.552 nan 8.230 nan 0.000 0.459 300 I N 0.162 120.540 120.570 -0.319 0.000 2.499 300 I HA 0.135 4.305 4.170 -0.000 0.000 0.296 300 I C -0.121 175.847 176.117 -0.247 0.000 0.992 300 I CA -0.510 60.503 61.300 -0.478 0.000 1.297 300 I CB 1.216 38.871 38.000 -0.575 0.000 1.410 300 I HN 0.488 nan 8.210 nan 0.000 0.507 301 D N 3.580 123.860 120.400 -0.200 0.000 2.389 301 D HA -0.032 4.608 4.640 -0.000 0.000 0.247 301 D C 0.724 176.941 176.300 -0.139 0.000 1.128 301 D CA 0.355 54.279 54.000 -0.127 0.000 0.884 301 D CB 0.978 41.726 40.800 -0.086 0.000 1.194 301 D HN 0.567 nan 8.370 nan 0.000 0.441 302 E N 2.692 122.822 120.200 -0.116 0.000 2.489 302 E HA -0.002 4.348 4.350 -0.000 0.000 0.193 302 E C 1.555 178.087 176.600 -0.113 0.000 1.057 302 E CA 0.209 56.536 56.400 -0.121 0.000 0.866 302 E CB 0.152 29.790 29.700 -0.104 0.000 0.916 302 E HN 0.554 nan 8.360 nan 0.000 0.500 303 A N 0.495 123.256 122.820 -0.098 0.000 1.906 303 A HA -0.290 4.030 4.320 -0.000 0.000 0.222 303 A C 1.983 179.507 177.584 -0.098 0.000 1.282 303 A CA 2.569 54.554 52.037 -0.086 0.000 0.675 303 A CB -0.729 18.227 19.000 -0.074 0.000 0.838 303 A HN 0.394 nan 8.150 nan 0.000 0.469 304 T N -3.020 111.462 114.554 -0.119 0.000 2.638 304 T HA 0.503 4.853 4.350 -0.000 0.000 0.169 304 T C -0.040 174.551 174.700 -0.181 0.000 0.790 304 T CA 0.029 62.048 62.100 -0.134 0.000 1.151 304 T CB -0.532 68.262 68.868 -0.123 0.000 2.581 304 T HN 0.599 nan 8.240 nan 0.000 0.391 305 L N 1.033 122.132 121.223 -0.207 0.000 0.608 305 L HA -0.110 4.230 4.340 -0.000 0.000 0.356 305 L C -2.310 174.330 176.870 -0.383 0.000 1.037 305 L CA 0.057 54.730 54.840 -0.279 0.000 1.223 305 L CB -1.382 40.515 42.059 -0.270 0.000 0.050 305 L HN 0.353 nan 8.230 nan 0.000 0.097 306 P HA 0.161 nan 4.420 nan 0.000 0.275 306 P C -0.124 176.687 177.300 -0.816 0.000 1.266 306 P CA 0.267 62.783 63.100 -0.974 0.000 0.793 306 P CB 0.512 31.042 31.700 -1.950 0.000 1.074 307 A N -0.122 122.269 122.820 -0.715 0.000 2.239 307 A HA -0.052 4.268 4.320 -0.000 0.000 0.209 307 A C 1.478 178.985 177.584 -0.129 0.000 1.171 307 A CA 0.477 52.337 52.037 -0.294 0.000 0.768 307 A CB -1.301 17.641 19.000 -0.098 0.000 0.790 307 A HN 0.785 nan 8.150 nan 0.000 0.478 308 W N -3.062 118.172 121.300 -0.110 0.000 2.915 308 W HA 0.352 5.012 4.660 -0.000 0.000 0.276 308 W C 1.006 177.467 176.519 -0.097 0.000 1.215 308 W CA 0.557 57.835 57.345 -0.112 0.000 1.514 308 W CB -0.372 29.001 29.460 -0.145 0.000 1.017 308 W HN 0.057 nan 8.180 nan 0.000 0.598 309 S N 1.528 117.094 115.700 -0.223 0.000 2.671 309 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 309 S C 0.708 175.235 174.600 -0.122 0.000 0.951 309 S CA -0.071 58.055 58.200 -0.123 0.000 0.932 309 S CB -0.492 62.579 63.200 -0.215 0.000 0.777 309 S HN 0.156 nan 8.310 nan 0.000 0.508 310 Q N 1.497 121.227 119.800 -0.116 0.000 2.263 310 Q HA 0.228 4.568 4.340 -0.000 0.000 0.270 310 Q C 0.758 176.717 176.000 -0.067 0.000 1.104 310 Q CA 0.150 55.894 55.803 -0.099 0.000 0.909 310 Q CB -0.000 28.684 28.738 -0.089 0.000 1.214 310 Q HN 0.457 nan 8.270 nan 0.000 0.400 311 G N 2.432 111.187 108.800 -0.074 0.000 2.374 311 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.289 311 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.289 311 G C 0.092 174.959 174.900 -0.054 0.000 1.004 311 G CA 0.047 45.108 45.100 -0.064 0.000 1.292 311 G HN 0.422 nan 8.290 nan 0.000 0.502 312 V N 1.181 121.062 119.914 -0.056 0.000 3.214 312 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 312 V C 2.074 178.128 176.094 -0.068 0.000 1.078 312 V CA 0.326 62.600 62.300 -0.043 0.000 1.077 312 V CB 0.812 32.618 31.823 -0.028 0.000 1.121 312 V HN 1.147 nan 8.190 nan 0.000 0.468 313 A N 1.577 124.353 122.820 -0.073 0.000 1.837 313 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 313 A C 1.275 178.739 177.584 -0.200 0.000 1.210 313 A CA 2.045 54.006 52.037 -0.127 0.000 0.632 313 A CB -0.422 18.500 19.000 -0.130 0.000 0.843 313 A HN 0.868 nan 8.150 nan 0.000 0.448 314 N N -1.183 117.361 118.700 -0.260 0.000 2.571 314 N HA 0.434 5.174 4.740 -0.000 0.000 0.298 314 N C -0.022 175.415 175.510 -0.122 0.000 1.671 314 N CA 0.091 52.952 53.050 -0.315 0.000 0.900 314 N CB 1.032 39.029 38.487 -0.816 0.000 1.365 314 N HN 0.391 nan 8.380 nan 0.000 0.493 315 L N -0.893 120.288 121.223 -0.069 0.000 2.775 315 L HA 0.257 4.597 4.340 -0.000 0.000 0.175 315 L C 0.132 176.950 176.870 -0.086 0.000 1.110 315 L CA 0.601 55.426 54.840 -0.025 0.000 0.862 315 L CB 0.206 42.274 42.059 0.016 0.000 1.381 315 L HN -0.116 nan 8.230 nan 0.000 0.499 316 T N 0.812 115.309 114.554 -0.094 0.000 2.772 316 T HA 0.599 4.949 4.350 -0.000 0.000 0.288 316 T C 0.088 174.725 174.700 -0.105 0.000 0.994 316 T CA -0.358 61.667 62.100 -0.125 0.000 0.951 316 T CB 1.835 70.626 68.868 -0.128 0.000 0.933 316 T HN 0.284 nan 8.240 nan 0.000 0.447 317 G N 1.579 110.316 108.800 -0.105 0.000 2.890 317 G HA2 0.546 4.506 3.960 -0.000 0.000 0.189 317 G HA3 0.546 4.506 3.960 -0.000 0.000 0.189 317 G C 0.406 175.258 174.900 -0.079 0.000 1.342 317 G CA -0.570 44.480 45.100 -0.084 0.000 1.026 317 G HN 0.667 nan 8.290 nan 0.000 0.579 318 N N -1.628 117.034 118.700 -0.064 0.000 1.899 318 N HA 0.085 4.825 4.740 -0.000 0.000 0.223 318 N C 0.895 176.378 175.510 -0.045 0.000 1.411 318 N CA 0.603 53.618 53.050 -0.058 0.000 0.737 318 N CB -0.042 38.410 38.487 -0.057 0.000 1.100 318 N HN 0.680 nan 8.380 nan 0.000 0.527 319 G N 1.890 110.666 108.800 -0.041 0.000 2.873 319 G HA2 0.099 4.059 3.960 -0.000 0.000 0.170 319 G HA3 0.099 4.059 3.960 -0.000 0.000 0.170 319 G C 0.785 175.670 174.900 -0.025 0.000 1.608 319 G CA 0.674 45.756 45.100 -0.031 0.000 1.084 319 G HN 0.361 nan 8.290 nan 0.000 0.563 320 Q N -1.301 118.488 119.800 -0.019 0.000 2.352 320 Q HA 0.247 4.587 4.340 -0.000 0.000 0.212 320 Q C 1.769 177.766 176.000 -0.006 0.000 0.888 320 Q CA 0.674 56.470 55.803 -0.012 0.000 0.934 320 Q CB 0.361 29.094 28.738 -0.009 0.000 1.093 320 Q HN 0.462 nan 8.270 nan 0.000 0.523 321 G N 1.752 110.547 108.800 -0.009 0.000 3.181 321 G HA2 0.243 4.203 3.960 -0.000 0.000 0.219 321 G HA3 0.243 4.203 3.960 -0.000 0.000 0.219 321 G C 0.476 175.379 174.900 0.004 0.000 1.182 321 G CA 0.292 45.391 45.100 -0.001 0.000 0.791 321 G HN 0.243 nan 8.290 nan 0.000 0.537 322 V N -2.263 117.649 119.914 -0.003 0.000 2.837 322 V HA 0.759 4.879 4.120 -0.000 0.000 0.310 322 V C -0.287 175.827 176.094 0.034 0.000 1.059 322 V CA -1.147 61.151 62.300 -0.004 0.000 1.004 322 V CB 1.954 33.753 31.823 -0.040 0.000 1.045 322 V HN -0.145 nan 8.190 nan 0.000 0.465 323 V N 4.439 124.400 119.914 0.079 0.000 2.448 323 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 323 V C -2.127 174.044 176.094 0.129 0.000 1.025 323 V CA -1.712 60.682 62.300 0.156 0.000 0.859 323 V CB 1.673 33.703 31.823 0.345 0.000 0.988 323 V HN 0.953 nan 8.190 nan 0.000 0.431 324 P HA -0.005 nan 4.420 nan 0.000 0.267 324 P C -0.498 176.837 177.300 0.059 0.000 1.200 324 P CA 0.008 63.126 63.100 0.030 0.000 0.772 324 P CB 0.766 32.472 31.700 0.009 0.000 0.855 325 C N 5.189 124.491 119.300 0.003 0.000 2.271 325 C HA 0.422 4.882 4.460 -0.000 0.000 0.323 325 C C 0.262 175.231 174.990 -0.035 0.000 1.245 325 C CA -0.672 58.344 59.018 -0.004 0.000 1.548 325 C CB -1.612 26.090 27.740 -0.064 0.000 2.214 325 C HN 0.422 nan 8.230 nan 0.000 0.477 326 L N 7.044 128.246 121.223 -0.034 0.000 2.282 326 L HA 0.372 4.712 4.340 -0.000 0.000 0.287 326 L C -0.209 176.669 176.870 0.013 0.000 1.075 326 L CA 0.098 54.932 54.840 -0.010 0.000 0.839 326 L CB 0.257 42.318 42.059 0.004 0.000 1.219 326 L HN 0.634 nan 8.230 nan 0.000 0.434 327 D N 2.783 123.176 120.400 -0.011 0.000 2.225 327 D HA 0.380 5.020 4.640 -0.000 0.000 0.249 327 D C -0.341 175.989 176.300 0.050 0.000 1.052 327 D CA -0.061 53.907 54.000 -0.053 0.000 0.909 327 D CB 1.850 42.573 40.800 -0.128 0.000 1.186 327 D HN 0.336 nan 8.370 nan 0.000 0.431 328 Y N -0.810 119.495 120.300 0.009 0.000 3.013 328 Y HA 0.616 5.166 4.550 -0.000 0.000 0.310 328 Y C -0.782 175.129 175.900 0.018 0.000 1.450 328 Y CA -1.305 56.809 58.100 0.023 0.000 1.091 328 Y CB 1.015 39.508 38.460 0.055 0.000 1.373 328 Y HN 0.186 nan 8.280 nan 0.000 0.590 329 N N -0.004 118.893 118.700 0.327 0.000 2.478 329 N HA 0.380 5.120 4.740 -0.000 0.000 0.291 329 N C -2.687 173.028 175.510 0.342 0.000 1.090 329 N CA -2.578 50.584 53.050 0.187 0.000 0.911 329 N CB 2.193 40.730 38.487 0.083 0.000 1.546 329 N HN 0.290 nan 8.380 nan 0.000 0.500 330 P HA -0.229 nan 4.420 nan 0.000 0.217 330 P C 1.285 178.806 177.300 0.369 0.000 1.162 330 P CA 1.408 64.764 63.100 0.427 0.000 0.901 330 P CB 0.419 32.420 31.700 0.501 0.000 0.793 331 V N -0.210 119.940 119.914 0.393 0.000 2.233 331 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 331 V C -0.481 175.698 176.094 0.142 0.000 1.050 331 V CA 2.749 65.278 62.300 0.381 0.000 1.010 331 V CB -2.547 29.456 31.823 0.301 0.000 0.637 331 V HN 0.186 nan 8.190 nan 0.000 0.444 332 P HA -0.106 nan 4.420 nan 0.000 0.221 332 P C 1.808 179.046 177.300 -0.102 0.000 1.150 332 P CA 1.116 64.214 63.100 -0.004 0.000 0.800 332 P CB -0.088 31.627 31.700 0.025 0.000 0.787 333 M N 0.225 119.769 119.600 -0.093 0.000 2.099 333 M HA -0.020 4.460 4.480 -0.000 0.000 0.262 333 M C 1.884 177.908 176.300 -0.459 0.000 1.067 333 M CA 1.870 57.019 55.300 -0.251 0.000 1.124 333 M CB -1.373 31.077 32.600 -0.250 0.000 1.353 333 M HN -0.145 nan 8.290 nan 0.000 0.410 334 A N -0.550 121.949 122.820 -0.535 0.000 2.066 334 A HA 0.268 4.588 4.320 -0.000 0.000 0.218 334 A C 2.262 179.166 177.584 -1.133 0.000 1.157 334 A CA 1.417 52.850 52.037 -1.008 0.000 0.670 334 A CB -1.166 16.956 19.000 -1.463 0.000 0.804 334 A HN 0.626 nan 8.150 nan 0.000 0.453 335 A N -0.436 122.017 122.820 -0.612 0.000 2.014 335 A HA 0.321 4.641 4.320 -0.000 0.000 0.218 335 A C 2.240 179.619 177.584 -0.343 0.000 1.163 335 A CA 1.559 53.370 52.037 -0.377 0.000 0.652 335 A CB -0.505 18.411 19.000 -0.139 0.000 0.808 335 A HN 0.912 nan 8.150 nan 0.000 0.449 336 A N -1.053 121.545 122.820 -0.371 0.000 2.147 336 A HA 0.096 4.416 4.320 -0.000 0.000 0.211 336 A C 2.135 179.469 177.584 -0.418 0.000 1.160 336 A CA 0.815 52.669 52.037 -0.304 0.000 0.781 336 A CB -0.301 18.555 19.000 -0.239 0.000 0.842 336 A HN 0.340 nan 8.150 nan 0.000 0.475 337 R N 0.020 120.134 120.500 -0.643 0.000 2.090 337 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 337 R C 1.461 177.164 176.300 -0.995 0.000 1.110 337 R CA 1.808 57.411 56.100 -0.827 0.000 0.973 337 R CB -0.576 29.111 30.300 -1.020 0.000 0.869 337 R HN 0.782 nan 8.270 nan 0.000 0.440 338 H N -0.322 118.263 119.070 -0.809 0.000 2.428 338 H HA -0.077 4.479 4.556 -0.000 0.000 0.296 338 H C 1.843 176.982 175.328 -0.315 0.000 1.062 338 H CA 0.826 56.473 56.048 -0.668 0.000 1.350 338 H CB 0.203 29.734 29.762 -0.386 0.000 1.403 338 H HN 0.050 nan 8.280 nan 0.000 0.533 339 L N 1.143 122.270 121.223 -0.159 0.000 2.275 339 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 339 L C 2.170 179.004 176.870 -0.060 0.000 1.119 339 L CA 1.400 56.193 54.840 -0.079 0.000 0.790 339 L CB -0.224 41.777 42.059 -0.097 0.000 0.919 339 L HN 0.131 nan 8.230 nan 0.000 0.443 340 Q N -1.484 118.238 119.800 -0.131 0.000 2.096 340 Q HA -0.155 4.185 4.340 -0.000 0.000 0.197 340 Q C 1.842 177.918 176.000 0.126 0.000 0.964 340 Q CA 1.667 57.443 55.803 -0.045 0.000 0.838 340 Q CB -0.332 28.340 28.738 -0.111 0.000 0.906 340 Q HN 0.551 nan 8.270 nan 0.000 0.444 341 W N 0.514 121.802 121.300 -0.020 0.000 2.363 341 W HA -0.042 4.618 4.660 -0.000 0.000 0.296 341 W C 2.130 178.640 176.519 -0.014 0.000 1.212 341 W CA 0.793 58.132 57.345 -0.011 0.000 1.260 341 W CB -0.622 28.844 29.460 0.010 0.000 1.131 341 W HN 0.201 nan 8.180 nan 0.000 0.530 342 R N 0.817 121.448 120.500 0.217 0.000 2.115 342 R HA -0.129 4.211 4.340 -0.000 0.000 0.226 342 R C 1.979 178.323 176.300 0.073 0.000 1.100 342 R CA 1.447 57.618 56.100 0.118 0.000 0.980 342 R CB -0.531 29.819 30.300 0.083 0.000 0.875 342 R HN 0.167 nan 8.270 nan 0.000 0.445 343 Q N 0.919 120.758 119.800 0.065 0.000 2.084 343 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 343 Q C 1.100 177.120 176.000 0.034 0.000 0.978 343 Q CA 1.967 57.793 55.803 0.038 0.000 0.844 343 Q CB -0.111 28.644 28.738 0.027 0.000 0.898 343 Q HN 0.230 nan 8.270 nan 0.000 0.426 344 D N -1.884 118.544 120.400 0.047 0.000 2.349 344 D HA 0.121 4.761 4.640 -0.000 0.000 0.215 344 D C 0.336 176.642 176.300 0.009 0.000 1.016 344 D CA 0.938 54.952 54.000 0.023 0.000 0.870 344 D CB 0.475 41.287 40.800 0.020 0.000 0.917 344 D HN 0.470 nan 8.370 nan 0.000 0.524 345 G N 1.123 109.937 108.800 0.023 0.000 2.140 345 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.211 345 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.211 345 G C 0.939 175.832 174.900 -0.013 0.000 1.013 345 G CA -0.105 44.998 45.100 0.006 0.000 0.705 345 G HN 0.243 nan 8.290 nan 0.000 0.508 346 L N -0.136 121.082 121.223 -0.008 0.000 2.127 346 L HA 0.333 4.673 4.340 -0.000 0.000 0.203 346 L C 1.915 178.753 176.870 -0.053 0.000 1.080 346 L CA 1.887 56.682 54.840 -0.076 0.000 0.768 346 L CB -0.678 41.278 42.059 -0.171 0.000 0.924 346 L HN 0.668 nan 8.230 nan 0.000 0.444 347 I N -3.909 116.676 120.570 0.023 0.000 2.797 347 I HA 0.387 4.557 4.170 -0.000 0.000 0.307 347 I C 0.153 176.293 176.117 0.039 0.000 1.033 347 I CA -0.654 60.669 61.300 0.037 0.000 1.071 347 I CB 1.653 39.719 38.000 0.110 0.000 1.255 347 I HN -0.253 nan 8.210 nan 0.000 0.445 348 T N 2.617 117.186 114.554 0.024 0.000 2.813 348 T HA 0.250 4.600 4.350 -0.000 0.000 0.297 348 T C 1.294 176.011 174.700 0.028 0.000 1.036 348 T CA 0.244 62.356 62.100 0.020 0.000 1.044 348 T CB 1.442 70.317 68.868 0.011 0.000 0.993 348 T HN 0.801 nan 8.240 nan 0.000 0.535 349 A N 0.814 123.648 122.820 0.023 0.000 2.216 349 A HA 0.208 4.528 4.320 -0.000 0.000 0.214 349 A C 2.214 179.811 177.584 0.021 0.000 1.160 349 A CA 1.258 53.309 52.037 0.023 0.000 0.725 349 A CB -0.741 18.270 19.000 0.018 0.000 0.784 349 A HN 0.860 nan 8.150 nan 0.000 0.472 350 A N -0.912 121.919 122.820 0.019 0.000 1.997 350 A HA 0.024 4.344 4.320 -0.000 0.000 0.212 350 A C 1.883 179.477 177.584 0.018 0.000 1.178 350 A CA 0.825 52.872 52.037 0.017 0.000 0.698 350 A CB -0.194 18.814 19.000 0.013 0.000 0.842 350 A HN 0.561 nan 8.150 nan 0.000 0.458 351 Q N -0.490 119.322 119.800 0.020 0.000 2.444 351 Q HA -0.059 4.281 4.340 -0.000 0.000 0.206 351 Q C 1.565 177.575 176.000 0.017 0.000 0.948 351 Q CA 0.814 56.628 55.803 0.018 0.000 0.946 351 Q CB 0.164 28.916 28.738 0.023 0.000 1.027 351 Q HN 0.762 nan 8.270 nan 0.000 0.513 352 E N 1.629 121.846 120.200 0.029 0.000 2.008 352 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 352 E C 1.562 178.178 176.600 0.028 0.000 0.986 352 E CA 1.612 58.032 56.400 0.034 0.000 0.807 352 E CB -0.229 29.493 29.700 0.037 0.000 0.766 352 E HN 0.222 nan 8.360 nan 0.000 0.450 353 A N -0.232 122.604 122.820 0.027 0.000 2.235 353 A HA 0.018 4.338 4.320 -0.000 0.000 0.208 353 A C 1.946 179.550 177.584 0.032 0.000 1.172 353 A CA 1.064 53.120 52.037 0.032 0.000 0.786 353 A CB -0.425 18.592 19.000 0.028 0.000 0.804 353 A HN 0.340 nan 8.150 nan 0.000 0.479 354 Q N -0.156 119.657 119.800 0.020 0.000 2.107 354 Q HA 0.137 4.477 4.340 -0.000 0.000 0.195 354 Q C 1.674 177.682 176.000 0.013 0.000 0.964 354 Q CA 1.106 56.920 55.803 0.019 0.000 0.833 354 Q CB -0.343 28.402 28.738 0.012 0.000 0.910 354 Q HN 0.564 nan 8.270 nan 0.000 0.465 355 L N 0.929 122.125 121.223 -0.044 0.000 2.265 355 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 355 L C 1.683 178.566 176.870 0.021 0.000 1.117 355 L CA 0.695 55.450 54.840 -0.142 0.000 0.782 355 L CB -0.401 41.329 42.059 -0.548 0.000 0.914 355 L HN 0.290 nan 8.230 nan 0.000 0.441 356 N N 0.285 119.047 118.700 0.103 0.000 2.171 356 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 356 N C 1.560 177.179 175.510 0.181 0.000 1.021 356 N CA 1.153 54.318 53.050 0.192 0.000 0.854 356 N CB -0.134 38.429 38.487 0.126 0.000 0.994 356 N HN 0.321 nan 8.380 nan 0.000 0.426 357 N N -0.215 118.556 118.700 0.118 0.000 2.270 357 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 357 N C 0.419 175.997 175.510 0.114 0.000 1.016 357 N CA 0.548 53.658 53.050 0.100 0.000 0.870 357 N CB 0.142 38.668 38.487 0.065 0.000 0.979 357 N HN 0.197 nan 8.380 nan 0.000 0.431 358 D N -0.357 120.120 120.400 0.127 0.000 2.234 358 D HA -0.107 4.533 4.640 -0.000 0.000 0.205 358 D C 1.275 177.701 176.300 0.209 0.000 0.962 358 D CA 0.703 54.782 54.000 0.133 0.000 0.855 358 D CB 0.141 41.002 40.800 0.101 0.000 0.951 358 D HN 0.337 nan 8.370 nan 0.000 0.500 359 Y N 0.542 120.928 120.300 0.144 0.000 2.343 359 Y HA -0.044 4.506 4.550 -0.000 0.000 0.294 359 Y C 2.408 178.427 175.900 0.198 0.000 1.122 359 Y CA 1.158 59.391 58.100 0.223 0.000 1.173 359 Y CB -0.203 38.416 38.460 0.264 0.000 1.077 359 Y HN -0.204 nan 8.280 nan 0.000 0.542 360 T N -0.001 114.696 114.554 0.239 0.000 2.929 360 T HA -0.127 4.223 4.350 -0.000 0.000 0.271 360 T C 1.848 176.541 174.700 -0.012 0.000 1.085 360 T CA 1.226 63.386 62.100 0.100 0.000 1.125 360 T CB -0.460 68.483 68.868 0.125 0.000 0.874 360 T HN 0.479 nan 8.240 nan 0.000 0.494 361 A N -0.403 122.430 122.820 0.020 0.000 1.935 361 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 361 A C 1.987 179.540 177.584 -0.052 0.000 1.178 361 A CA 1.187 53.219 52.037 -0.008 0.000 0.640 361 A CB -0.824 18.197 19.000 0.035 0.000 0.825 361 A HN 0.700 nan 8.150 nan 0.000 0.447 362 Y N 0.725 120.925 120.300 -0.166 0.000 2.163 362 Y HA 0.044 4.594 4.550 -0.000 0.000 0.288 362 Y C 2.403 178.107 175.900 -0.327 0.000 1.136 362 Y CA 1.153 59.119 58.100 -0.223 0.000 1.147 362 Y CB -0.606 37.705 38.460 -0.250 0.000 0.987 362 Y HN 0.241 nan 8.280 nan 0.000 0.509 363 A N 0.103 122.454 122.820 -0.782 0.000 2.121 363 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 363 A C 2.086 179.254 177.584 -0.694 0.000 1.154 363 A CA 1.421 52.922 52.037 -0.894 0.000 0.679 363 A CB -1.032 17.619 19.000 -0.581 0.000 0.795 363 A HN 0.563 nan 8.150 nan 0.000 0.458 364 L N -0.765 120.198 121.223 -0.433 0.000 2.109 364 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 364 L C 2.378 179.043 176.870 -0.341 0.000 1.086 364 L CA 2.504 57.153 54.840 -0.318 0.000 0.760 364 L CB -0.868 41.085 42.059 -0.176 0.000 0.910 364 L HN 0.296 nan 8.230 nan 0.000 0.437 365 T N 0.094 114.447 114.554 -0.336 0.000 2.833 365 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 365 T C 1.918 176.428 174.700 -0.316 0.000 1.054 365 T CA 1.381 63.322 62.100 -0.265 0.000 1.135 365 T CB -0.141 68.612 68.868 -0.191 0.000 0.869 365 T HN 0.164 nan 8.240 nan 0.000 0.466 366 I N 1.273 121.547 120.570 -0.495 0.000 2.252 366 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 366 I C 2.518 178.347 176.117 -0.479 0.000 1.102 366 I CA 1.310 62.337 61.300 -0.454 0.000 1.385 366 I CB -1.081 36.513 38.000 -0.677 0.000 1.064 366 I HN 0.411 nan 8.210 nan 0.000 0.414 367 E N 1.013 120.820 120.200 -0.654 0.000 2.072 367 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 367 E C 2.251 178.542 176.600 -0.515 0.000 0.982 367 E CA 0.718 56.597 56.400 -0.868 0.000 0.803 367 E CB 0.129 29.302 29.700 -0.878 0.000 0.755 367 E HN 0.227 nan 8.360 nan 0.000 0.453 368 R N -0.085 120.225 120.500 -0.317 0.000 2.152 368 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 368 R C 2.232 178.479 176.300 -0.089 0.000 1.117 368 R CA 1.181 57.183 56.100 -0.164 0.000 0.981 368 R CB -0.785 29.441 30.300 -0.123 0.000 0.870 368 R HN 0.527 nan 8.270 nan 0.000 0.451 369 H N -0.151 118.757 119.070 -0.270 0.000 2.317 369 H HA 0.047 4.603 4.556 -0.000 0.000 0.304 369 H C 1.775 176.957 175.328 -0.244 0.000 1.067 369 H CA 0.563 56.427 56.048 -0.306 0.000 1.352 369 H CB 0.470 29.929 29.762 -0.505 0.000 1.398 369 H HN -0.039 nan 8.280 nan 0.000 0.510 370 L N 0.654 121.712 121.223 -0.276 0.000 2.046 370 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 370 L C 2.497 179.511 176.870 0.240 0.000 1.077 370 L CA 1.553 56.343 54.840 -0.084 0.000 0.747 370 L CB -1.394 40.674 42.059 0.016 0.000 0.896 370 L HN 0.353 nan 8.230 nan 0.000 0.432 371 T N 0.194 114.895 114.554 0.244 0.000 2.788 371 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 371 T C 1.838 176.594 174.700 0.093 0.000 1.044 371 T CA 1.271 63.544 62.100 0.290 0.000 1.139 371 T CB -0.076 68.922 68.868 0.217 0.000 0.867 371 T HN 0.422 nan 8.240 nan 0.000 0.454 372 A N 0.612 123.439 122.820 0.012 0.000 2.119 372 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 372 A C 2.137 179.691 177.584 -0.051 0.000 1.152 372 A CA 0.764 52.793 52.037 -0.013 0.000 0.708 372 A CB -0.299 18.701 19.000 0.000 0.000 0.805 372 A HN 0.290 nan 8.150 nan 0.000 0.460 373 M N -1.160 118.374 119.600 -0.110 0.000 2.447 373 M HA 0.204 4.684 4.480 -0.000 0.000 0.266 373 M C 2.019 178.257 176.300 -0.103 0.000 1.120 373 M CA 0.734 55.947 55.300 -0.144 0.000 1.166 373 M CB -1.034 31.389 32.600 -0.295 0.000 1.349 373 M HN 0.477 nan 8.290 nan 0.000 0.463 374 L N 0.110 121.277 121.223 -0.093 0.000 2.093 374 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 374 L C 2.149 178.937 176.870 -0.136 0.000 1.085 374 L CA 0.813 55.547 54.840 -0.177 0.000 0.755 374 L CB -0.005 41.831 42.059 -0.371 0.000 0.904 374 L HN 0.012 nan 8.230 nan 0.000 0.435 375 V N -0.321 119.542 119.914 -0.085 0.000 2.453 375 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 375 V C 2.677 178.739 176.094 -0.053 0.000 1.048 375 V CA 1.513 63.777 62.300 -0.061 0.000 1.049 375 V CB -0.780 31.024 31.823 -0.030 0.000 0.672 375 V HN 0.534 nan 8.190 nan 0.000 0.457 376 A N 0.045 122.836 122.820 -0.049 0.000 1.898 376 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 376 A C 1.252 178.806 177.584 -0.050 0.000 1.181 376 A CA 1.266 53.281 52.037 -0.038 0.000 0.620 376 A CB -0.264 18.721 19.000 -0.024 0.000 0.819 376 A HN 0.583 nan 8.150 nan 0.000 0.442 377 N N -0.048 118.610 118.700 -0.070 0.000 2.776 377 N HA 0.271 5.011 4.740 -0.000 0.000 0.245 377 N C -2.539 172.909 175.510 -0.103 0.000 1.121 377 N CA -1.140 51.862 53.050 -0.080 0.000 0.852 377 N CB 1.380 39.817 38.487 -0.083 0.000 1.142 377 N HN 0.112 nan 8.380 nan 0.000 0.514 378 P HA -0.038 nan 4.420 nan 0.000 0.207 378 P C 0.856 178.083 177.300 -0.122 0.000 0.993 378 P CA 0.655 63.691 63.100 -0.107 0.000 0.885 378 P CB 0.679 32.332 31.700 -0.078 0.000 0.600 379 I N -5.478 115.034 120.570 -0.097 0.000 5.457 379 I HA 0.180 4.350 4.170 -0.000 0.000 0.343 379 I C 1.273 177.353 176.117 -0.062 0.000 1.073 379 I CA 0.749 61.992 61.300 -0.095 0.000 1.649 379 I CB -1.057 36.875 38.000 -0.113 0.000 2.101 379 I HN -0.042 nan 8.210 nan 0.000 0.707 380 A N 1.044 123.834 122.820 -0.050 0.000 2.206 380 A HA 0.471 4.791 4.320 -0.000 0.000 0.211 380 A C 2.177 179.736 177.584 -0.041 0.000 1.158 380 A CA 1.310 53.326 52.037 -0.035 0.000 0.761 380 A CB -0.771 18.213 19.000 -0.027 0.000 0.801 380 A HN 0.530 nan 8.150 nan 0.000 0.473 381 A N -1.278 121.511 122.820 -0.051 0.000 1.898 381 A HA 0.341 4.661 4.320 -0.000 0.000 0.216 381 A C 1.888 179.437 177.584 -0.059 0.000 1.181 381 A CA 2.200 54.205 52.037 -0.053 0.000 0.620 381 A CB -0.450 18.515 19.000 -0.058 0.000 0.819 381 A HN 1.384 nan 8.150 nan 0.000 0.442 382 G N -2.031 106.731 108.800 -0.062 0.000 4.444 382 G HA2 0.072 4.032 3.960 -0.000 0.000 0.158 382 G HA3 0.072 4.032 3.960 -0.000 0.000 0.158 382 G C 0.447 175.310 174.900 -0.062 0.000 1.789 382 G CA -0.063 44.995 45.100 -0.070 0.000 0.886 382 G HN 0.439 nan 8.290 nan 0.000 0.284 383 R N -0.301 120.163 120.500 -0.060 0.000 2.517 383 R HA 0.797 5.137 4.340 -0.000 0.000 0.250 383 R C 0.073 176.345 176.300 -0.047 0.000 1.213 383 R CA -0.228 55.850 56.100 -0.038 0.000 1.146 383 R CB 0.674 30.939 30.300 -0.060 0.000 1.279 383 R HN 0.258 nan 8.270 nan 0.000 0.597 384 M N 1.315 120.896 119.600 -0.030 0.000 3.600 384 M HA 0.253 4.733 4.480 -0.000 0.000 0.397 384 M C -2.303 173.986 176.300 -0.019 0.000 1.860 384 M CA -1.521 53.751 55.300 -0.047 0.000 0.514 384 M CB 1.421 34.000 32.600 -0.034 0.000 1.473 384 M HN 0.235 nan 8.290 nan 0.000 0.485 385 P HA 0.026 nan 4.420 nan 0.000 0.233 385 P C 0.950 178.249 177.300 -0.002 0.000 1.167 385 P CA 0.682 63.770 63.100 -0.021 0.000 0.770 385 P CB 0.383 32.029 31.700 -0.090 0.000 0.837 386 I N -2.085 118.462 120.570 -0.038 0.000 3.445 386 I HA 0.117 4.287 4.170 -0.000 0.000 0.288 386 I C 0.539 176.659 176.117 0.004 0.000 1.198 386 I CA 0.504 61.788 61.300 -0.027 0.000 1.417 386 I CB -0.865 37.090 38.000 -0.075 0.000 1.205 386 I HN 0.044 nan 8.210 nan 0.000 0.448 387 Q N 2.163 121.914 119.800 -0.082 0.000 2.476 387 Q HA -0.094 4.246 4.340 -0.000 0.000 0.256 387 Q C -2.326 173.549 176.000 -0.209 0.000 1.269 387 Q CA -0.266 55.451 55.803 -0.144 0.000 0.627 387 Q CB -0.370 28.424 28.738 0.093 0.000 0.751 387 Q HN 0.114 nan 8.270 nan 0.000 0.317 388 P HA -0.072 nan 4.420 nan 0.000 0.252 388 P C 0.078 177.247 177.300 -0.218 0.000 1.183 388 P CA 0.530 63.400 63.100 -0.384 0.000 0.973 388 P CB -0.584 30.950 31.700 -0.278 0.000 0.990 389 F N 1.107 121.008 119.950 -0.081 0.000 2.619 389 F HA 0.280 4.807 4.527 -0.000 0.000 0.293 389 F C 0.743 176.457 175.800 -0.143 0.000 1.119 389 F CA -0.944 56.992 58.000 -0.107 0.000 1.445 389 F CB -0.725 38.151 39.000 -0.207 0.000 1.119 389 F HN 0.193 nan 8.300 nan 0.000 0.573 390 N N 0.292 118.911 118.700 -0.136 0.000 4.497 390 N HA -0.189 4.551 4.740 -0.000 0.000 0.341 390 N C 0.242 175.840 175.510 0.147 0.000 1.998 390 N CA 0.633 53.671 53.050 -0.021 0.000 2.907 390 N CB -0.440 38.051 38.487 0.006 0.000 0.374 390 N HN 0.483 nan 8.380 nan 0.000 0.762 391 A N 1.501 124.399 122.820 0.131 0.000 2.307 391 A HA 0.473 4.793 4.320 -0.000 0.000 0.218 391 A C 1.691 179.364 177.584 0.148 0.000 1.228 391 A CA 1.177 53.348 52.037 0.222 0.000 0.857 391 A CB -0.189 18.948 19.000 0.229 0.000 0.897 391 A HN 0.861 nan 8.150 nan 0.000 0.495 392 A N -0.294 122.570 122.820 0.074 0.000 2.169 392 A HA 0.194 4.514 4.320 -0.000 0.000 0.212 392 A C 0.948 178.553 177.584 0.034 0.000 1.153 392 A CA 1.087 53.156 52.037 0.052 0.000 0.756 392 A CB -0.110 18.908 19.000 0.030 0.000 0.813 392 A HN 0.505 nan 8.150 nan 0.000 0.471 393 D N -2.447 117.946 120.400 -0.011 0.000 2.583 393 D HA 0.500 5.140 4.640 -0.000 0.000 0.256 393 D C 0.384 176.695 176.300 0.018 0.000 1.215 393 D CA -0.004 53.958 54.000 -0.064 0.000 1.140 393 D CB -0.161 40.535 40.800 -0.173 0.000 1.111 393 D HN 0.123 nan 8.370 nan 0.000 0.437 394 F N -0.751 119.143 119.950 -0.093 0.000 2.778 394 F HA -0.214 4.313 4.527 -0.000 0.000 0.399 394 F C 0.844 176.563 175.800 -0.136 0.000 0.604 394 F CA 0.666 58.563 58.000 -0.171 0.000 1.106 394 F CB -0.727 38.239 39.000 -0.055 0.000 1.643 394 F HN 0.400 nan 8.300 nan 0.000 0.290 395 G N 0.186 109.037 108.800 0.085 0.000 5.061 395 G HA2 0.333 4.293 3.960 -0.000 0.000 0.213 395 G HA3 0.333 4.293 3.960 -0.000 0.000 0.213 395 G C -0.065 174.856 174.900 0.034 0.000 1.463 395 G CA 0.238 45.376 45.100 0.062 0.000 0.617 395 G HN 0.211 nan 8.290 nan 0.000 0.289 396 Q N 0.278 120.082 119.800 0.006 0.000 2.135 396 Q HA 0.490 4.830 4.340 -0.000 0.000 0.231 396 Q C 0.544 176.539 176.000 -0.008 0.000 0.817 396 Q CA -0.060 55.742 55.803 -0.001 0.000 1.073 396 Q CB 0.130 28.861 28.738 -0.012 0.000 1.176 396 Q HN 0.979 nan 8.270 nan 0.000 0.478 397 A N 1.173 123.993 122.820 -0.000 0.000 2.355 397 A HA 0.133 4.453 4.320 -0.000 0.000 0.309 397 A C 0.978 178.562 177.584 -0.000 0.000 0.864 397 A CA 1.109 53.149 52.037 0.006 0.000 1.274 397 A CB -0.538 18.477 19.000 0.025 0.000 0.690 397 A HN 0.648 nan 8.150 nan 0.000 0.335 398 G N 1.671 110.466 108.800 -0.009 0.000 2.820 398 G HA2 0.292 4.252 3.960 -0.000 0.000 0.158 398 G HA3 0.292 4.252 3.960 -0.000 0.000 0.158 398 G C 0.733 175.634 174.900 0.003 0.000 1.715 398 G CA 0.222 45.313 45.100 -0.014 0.000 1.057 398 G HN 1.151 nan 8.290 nan 0.000 0.525 399 Q N -0.003 119.799 119.800 0.004 0.000 2.945 399 Q HA 0.177 4.517 4.340 -0.000 0.000 0.323 399 Q C 1.088 177.117 176.000 0.047 0.000 1.188 399 Q CA 0.497 56.310 55.803 0.016 0.000 0.929 399 Q CB 0.114 28.855 28.738 0.005 0.000 1.531 399 Q HN 0.395 nan 8.270 nan 0.000 0.444 400 T N -0.113 114.478 114.554 0.062 0.000 2.867 400 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 400 T C 1.722 176.452 174.700 0.050 0.000 1.057 400 T CA 1.397 63.559 62.100 0.103 0.000 1.136 400 T CB -0.086 68.845 68.868 0.104 0.000 0.874 400 T HN 0.604 nan 8.240 nan 0.000 0.466 401 A N 0.346 123.179 122.820 0.023 0.000 2.125 401 A HA 0.355 4.675 4.320 -0.000 0.000 0.219 401 A C 2.501 180.092 177.584 0.012 0.000 1.156 401 A CA 1.671 53.710 52.037 0.003 0.000 0.671 401 A CB -0.818 18.180 19.000 -0.002 0.000 0.794 401 A HN 0.672 nan 8.150 nan 0.000 0.459 402 A N -0.872 121.964 122.820 0.027 0.000 2.095 402 A HA 0.486 4.806 4.320 -0.000 0.000 0.212 402 A C 2.262 179.879 177.584 0.055 0.000 1.162 402 A CA 1.164 53.219 52.037 0.029 0.000 0.753 402 A CB -0.498 18.514 19.000 0.020 0.000 0.840 402 A HN 0.820 nan 8.150 nan 0.000 0.468 403 A N -0.353 122.522 122.820 0.092 0.000 1.968 403 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 403 A C 2.065 179.757 177.584 0.181 0.000 1.169 403 A CA 1.517 53.663 52.037 0.181 0.000 0.638 403 A CB -0.593 18.573 19.000 0.276 0.000 0.812 403 A HN 0.302 nan 8.150 nan 0.000 0.446 404 V N -0.174 119.770 119.914 0.050 0.000 2.427 404 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 404 V C 2.915 179.023 176.094 0.025 0.000 1.051 404 V CA 1.716 64.003 62.300 -0.022 0.000 1.048 404 V CB -1.016 30.760 31.823 -0.078 0.000 0.666 404 V HN 0.563 nan 8.190 nan 0.000 0.456 405 A N -0.472 122.367 122.820 0.031 0.000 2.119 405 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 405 A C 2.141 179.753 177.584 0.047 0.000 1.153 405 A CA 1.024 53.079 52.037 0.030 0.000 0.692 405 A CB -0.313 18.697 19.000 0.018 0.000 0.799 405 A HN 0.417 nan 8.150 nan 0.000 0.458 406 L N -0.885 120.384 121.223 0.077 0.000 2.162 406 L HA 0.055 4.395 4.340 -0.000 0.000 0.205 406 L C 2.451 179.389 176.870 0.113 0.000 1.086 406 L CA 1.941 56.821 54.840 0.066 0.000 0.778 406 L CB -1.042 41.048 42.059 0.050 0.000 0.928 406 L HN 0.371 nan 8.230 nan 0.000 0.446 407 A N -0.439 122.517 122.820 0.226 0.000 1.968 407 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 407 A C 2.041 179.760 177.584 0.225 0.000 1.169 407 A CA 1.136 53.348 52.037 0.293 0.000 0.638 407 A CB -0.319 18.817 19.000 0.227 0.000 0.812 407 A HN 0.622 nan 8.150 nan 0.000 0.446 408 Q N -0.758 119.120 119.800 0.130 0.000 2.172 408 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 408 Q C 2.201 178.255 176.000 0.089 0.000 0.964 408 Q CA 1.162 57.030 55.803 0.108 0.000 0.855 408 Q CB -0.246 28.528 28.738 0.059 0.000 0.918 408 Q HN 0.678 nan 8.270 nan 0.000 0.444 409 A N 0.398 123.249 122.820 0.051 0.000 2.030 409 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 409 A C 1.873 179.430 177.584 -0.045 0.000 1.164 409 A CA 0.358 52.401 52.037 0.010 0.000 0.697 409 A CB -0.216 18.781 19.000 -0.005 0.000 0.827 409 A HN 0.314 nan 8.150 nan 0.000 0.457 410 M N -1.595 117.942 119.600 -0.105 0.000 2.492 410 M HA 0.179 4.659 4.480 -0.000 0.000 0.262 410 M C -0.847 175.067 176.300 -0.642 0.000 1.090 410 M CA 1.120 56.191 55.300 -0.383 0.000 1.110 410 M CB 0.145 32.467 32.600 -0.463 0.000 1.407 410 M HN 0.280 nan 8.290 nan 0.000 0.470 411 F N -0.179 119.836 119.950 0.108 0.000 2.931 411 F HA 0.340 4.867 4.527 -0.000 0.000 0.375 411 F C -0.465 175.381 175.800 0.077 0.000 1.243 411 F CA -1.184 56.884 58.000 0.113 0.000 1.206 411 F CB 0.438 39.516 39.000 0.130 0.000 1.643 411 F HN -0.328 nan 8.300 nan 0.000 0.593 412 V N 0.000 120.022 119.914 0.181 0.000 2.409 412 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 412 V CA 0.000 62.372 62.300 0.120 0.000 1.235 412 V CB 0.000 31.867 31.823 0.073 0.000 1.184 412 V HN 0.000 nan 8.190 nan 0.000 0.556