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 1xxi_1_C DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKWRP QTFADVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKALDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLG TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEP 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.912 175.900 0.020 0.000 1.272 3 Y CA 0.000 58.109 58.100 0.016 0.000 1.940 3 Y CB 0.000 38.466 38.460 0.011 0.000 1.050 4 Q N 2.920 122.827 119.800 0.178 0.000 2.598 4 Q HA 0.374 4.714 4.340 -0.000 0.000 0.237 4 Q C -1.478 174.580 176.000 0.096 0.000 0.914 4 Q CA -0.858 54.999 55.803 0.090 0.000 1.065 4 Q CB 3.359 32.152 28.738 0.091 0.000 1.586 4 Q HN 0.627 nan 8.270 nan 0.000 0.484 5 V N 1.085 121.045 119.914 0.076 0.000 2.398 5 V HA 0.420 4.539 4.120 -0.000 0.000 0.286 5 V C 1.350 177.508 176.094 0.108 0.000 1.026 5 V CA -0.656 61.690 62.300 0.077 0.000 0.868 5 V CB 0.887 32.740 31.823 0.051 0.000 0.982 5 V HN 0.938 nan 8.190 nan 0.000 0.443 6 L N 3.318 124.619 121.223 0.129 0.000 2.123 6 L HA -0.293 4.046 4.340 -0.000 0.000 0.217 6 L C 2.778 179.764 176.870 0.194 0.000 1.081 6 L CA 2.278 57.240 54.840 0.204 0.000 0.772 6 L CB -0.828 41.227 42.059 -0.006 0.000 0.890 6 L HN 0.898 nan 8.230 nan 0.000 0.437 7 A N -0.508 122.367 122.820 0.091 0.000 2.131 7 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 7 A C 2.501 180.138 177.584 0.088 0.000 1.158 7 A CA 1.876 53.956 52.037 0.072 0.000 0.665 7 A CB -0.487 18.533 19.000 0.034 0.000 0.795 7 A HN 0.488 nan 8.150 nan 0.000 0.460 8 R N -0.925 119.632 120.500 0.095 0.000 2.191 8 R HA 0.125 4.465 4.340 -0.000 0.000 0.196 8 R C 2.013 178.348 176.300 0.058 0.000 0.991 8 R CA 0.747 56.882 56.100 0.058 0.000 1.075 8 R CB -0.180 30.133 30.300 0.021 0.000 1.040 8 R HN 0.384 nan 8.270 nan 0.000 0.526 9 K N -0.401 120.063 120.400 0.106 0.000 2.362 9 K HA -0.113 4.206 4.320 -0.000 0.000 0.200 9 K C 0.123 176.643 176.600 -0.133 0.000 1.046 9 K CA 1.084 57.375 56.287 0.007 0.000 0.952 9 K CB 0.142 32.685 32.500 0.073 0.000 0.753 9 K HN 0.211 nan 8.250 nan 0.000 0.466 10 W N 1.064 122.353 121.300 -0.018 0.000 2.846 10 W HA 0.304 4.963 4.660 -0.000 0.000 0.391 10 W C -0.202 176.308 176.519 -0.015 0.000 1.011 10 W CA -0.755 56.582 57.345 -0.013 0.000 1.832 10 W CB 0.314 29.769 29.460 -0.009 0.000 1.151 10 W HN -0.173 nan 8.180 nan 0.000 0.582 11 R N 2.634 123.214 120.500 0.132 0.000 2.483 11 R HA 0.056 4.395 4.340 -0.000 0.000 0.329 11 R C -2.127 174.199 176.300 0.043 0.000 0.961 11 R CA -1.220 54.922 56.100 0.071 0.000 1.041 11 R CB 0.135 30.453 30.300 0.031 0.000 0.930 11 R HN -0.221 nan 8.270 nan 0.000 0.413 12 P HA -0.140 nan 4.420 nan 0.000 0.257 12 P C -0.323 176.984 177.300 0.012 0.000 1.162 12 P CA 0.476 63.599 63.100 0.038 0.000 0.762 12 P CB 0.672 32.392 31.700 0.034 0.000 0.753 13 Q N 0.790 120.588 119.800 -0.003 0.000 2.396 13 Q HA 0.100 4.440 4.340 -0.000 0.000 0.220 13 Q C 0.449 176.434 176.000 -0.026 0.000 0.900 13 Q CA 1.141 56.926 55.803 -0.029 0.000 0.925 13 Q CB 0.389 29.095 28.738 -0.053 0.000 1.065 13 Q HN 0.431 nan 8.270 nan 0.000 0.535 14 T N -0.054 114.504 114.554 0.007 0.000 2.930 14 T HA 0.330 4.679 4.350 -0.000 0.000 0.290 14 T C 0.307 175.098 174.700 0.153 0.000 1.052 14 T CA -0.639 61.476 62.100 0.025 0.000 1.017 14 T CB 0.907 69.780 68.868 0.008 0.000 1.137 14 T HN -0.158 nan 8.240 nan 0.000 0.511 15 F N 1.109 121.017 119.950 -0.070 0.000 2.451 15 F HA 0.091 4.617 4.527 -0.000 0.000 0.299 15 F C 2.371 178.129 175.800 -0.069 0.000 1.101 15 F CA 0.198 58.149 58.000 -0.082 0.000 1.436 15 F CB -1.028 37.920 39.000 -0.086 0.000 1.074 15 F HN 0.719 nan 8.300 nan 0.000 0.553 16 A N -0.522 122.378 122.820 0.133 0.000 1.975 16 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 16 A C 1.952 179.555 177.584 0.033 0.000 1.170 16 A CA 1.272 53.341 52.037 0.053 0.000 0.656 16 A CB -0.462 18.562 19.000 0.041 0.000 0.821 16 A HN 0.169 nan 8.150 nan 0.000 0.449 17 D N 0.077 120.506 120.400 0.049 0.000 2.219 17 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 17 D C 0.827 177.153 176.300 0.042 0.000 0.970 17 D CA 0.481 54.515 54.000 0.056 0.000 0.851 17 D CB -0.394 40.442 40.800 0.060 0.000 0.943 17 D HN 0.206 nan 8.370 nan 0.000 0.488 18 V N 1.254 121.172 119.914 0.007 0.000 2.963 18 V HA 0.025 4.144 4.120 -0.000 0.000 0.306 18 V C 0.708 176.773 176.094 -0.048 0.000 1.077 18 V CA -0.313 61.966 62.300 -0.035 0.000 1.124 18 V CB 1.662 33.422 31.823 -0.104 0.000 0.987 18 V HN -0.172 nan 8.190 nan 0.000 0.487 19 V N 2.748 122.631 119.914 -0.052 0.000 2.532 19 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 19 V C 1.432 177.479 176.094 -0.078 0.000 1.041 19 V CA 0.407 62.673 62.300 -0.056 0.000 0.926 19 V CB 0.632 32.433 31.823 -0.036 0.000 0.992 19 V HN 1.152 nan 8.190 nan 0.000 0.457 20 G N 2.988 111.737 108.800 -0.084 0.000 2.418 20 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.259 20 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.259 20 G C 0.603 175.439 174.900 -0.107 0.000 0.989 20 G CA 1.072 46.116 45.100 -0.093 0.000 0.646 20 G HN 0.777 nan 8.290 nan 0.000 0.570 21 Q N 0.717 120.446 119.800 -0.118 0.000 3.170 21 Q HA 0.304 4.644 4.340 -0.000 0.000 0.346 21 Q C 1.477 177.370 176.000 -0.178 0.000 1.333 21 Q CA 0.014 55.744 55.803 -0.122 0.000 0.958 21 Q CB 0.041 28.711 28.738 -0.114 0.000 1.600 21 Q HN 0.732 nan 8.270 nan 0.000 0.482 22 E N 0.363 120.430 120.200 -0.222 0.000 2.068 22 E HA -0.260 4.090 4.350 -0.000 0.000 0.207 22 E C 1.225 177.646 176.600 -0.299 0.000 1.032 22 E CA 1.312 57.524 56.400 -0.313 0.000 0.839 22 E CB -0.075 29.340 29.700 -0.475 0.000 0.758 22 E HN 0.601 nan 8.360 nan 0.000 0.457 23 H N -0.458 118.567 119.070 -0.075 0.000 2.518 23 H HA -0.034 4.522 4.556 -0.000 0.000 0.289 23 H C 1.949 177.216 175.328 -0.101 0.000 1.051 23 H CA 0.809 56.825 56.048 -0.053 0.000 1.280 23 H CB 0.094 29.855 29.762 -0.002 0.000 1.380 23 H HN 0.058 nan 8.280 nan 0.000 0.566 24 V N 0.374 120.220 119.914 -0.114 0.000 3.307 24 V HA -0.046 4.074 4.120 -0.000 0.000 0.253 24 V C 2.413 178.220 176.094 -0.478 0.000 1.149 24 V CA 0.407 62.493 62.300 -0.357 0.000 1.112 24 V CB 0.081 31.710 31.823 -0.322 0.000 0.777 24 V HN 0.221 nan 8.190 nan 0.000 0.464 25 L N -0.397 120.588 121.223 -0.397 0.000 2.127 25 L HA -0.062 4.278 4.340 -0.000 0.000 0.203 25 L C 2.608 179.296 176.870 -0.303 0.000 1.080 25 L CA 1.529 56.055 54.840 -0.524 0.000 0.768 25 L CB -0.958 40.821 42.059 -0.466 0.000 0.924 25 L HN 0.291 nan 8.230 nan 0.000 0.444 26 T N 0.423 114.877 114.554 -0.166 0.000 2.684 26 T HA -0.213 4.136 4.350 -0.000 0.000 0.267 26 T C 2.060 176.753 174.700 -0.012 0.000 1.036 26 T CA 1.452 63.524 62.100 -0.046 0.000 1.148 26 T CB -0.309 68.570 68.868 0.018 0.000 0.863 26 T HN 0.425 nan 8.240 nan 0.000 0.436 27 A N 1.396 124.192 122.820 -0.039 0.000 1.892 27 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 27 A C 2.301 179.899 177.584 0.023 0.000 1.188 27 A CA 1.429 53.482 52.037 0.027 0.000 0.631 27 A CB -0.944 18.069 19.000 0.021 0.000 0.822 27 A HN 0.500 nan 8.150 nan 0.000 0.447 28 L N -1.067 120.090 121.223 -0.109 0.000 2.291 28 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 28 L C 2.980 179.948 176.870 0.164 0.000 1.120 28 L CA 0.615 55.457 54.840 0.003 0.000 0.799 28 L CB -0.500 41.510 42.059 -0.082 0.000 0.925 28 L HN 0.477 nan 8.230 nan 0.000 0.446 29 A N 0.365 123.270 122.820 0.143 0.000 1.855 29 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 29 A C 2.050 179.701 177.584 0.112 0.000 1.191 29 A CA 1.755 53.895 52.037 0.172 0.000 0.613 29 A CB -0.522 18.555 19.000 0.129 0.000 0.829 29 A HN 0.352 nan 8.150 nan 0.000 0.442 30 N N 0.190 118.949 118.700 0.098 0.000 2.007 30 N HA -0.142 4.597 4.740 -0.000 0.000 0.197 30 N C 1.853 177.427 175.510 0.106 0.000 1.050 30 N CA 1.930 55.037 53.050 0.095 0.000 0.856 30 N CB -0.968 37.580 38.487 0.102 0.000 1.050 30 N HN 0.419 nan 8.380 nan 0.000 0.423 31 G N 0.490 109.372 108.800 0.136 0.000 2.450 31 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 31 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 31 G C 1.501 176.471 174.900 0.117 0.000 1.130 31 G CA 0.438 45.631 45.100 0.156 0.000 0.760 31 G HN 0.302 nan 8.290 nan 0.000 0.557 32 L N 0.614 121.893 121.223 0.092 0.000 2.478 32 L HA 0.068 4.408 4.340 -0.000 0.000 0.223 32 L C 2.660 179.554 176.870 0.040 0.000 1.140 32 L CA 0.402 55.271 54.840 0.048 0.000 0.842 32 L CB 0.149 42.212 42.059 0.007 0.000 0.953 32 L HN 0.197 nan 8.230 nan 0.000 0.452 33 S N -0.433 115.299 115.700 0.054 0.000 2.444 33 S HA 0.110 4.579 4.470 -0.000 0.000 0.223 33 S C 1.684 176.315 174.600 0.052 0.000 1.054 33 S CA 0.273 58.500 58.200 0.045 0.000 0.947 33 S CB 0.057 63.285 63.200 0.046 0.000 0.850 33 S HN 0.247 nan 8.310 nan 0.000 0.527 34 L N 1.402 122.664 121.223 0.064 0.000 2.552 34 L HA 0.192 4.531 4.340 -0.000 0.000 0.227 34 L C 1.585 178.497 176.870 0.070 0.000 1.146 34 L CA 0.524 55.403 54.840 0.065 0.000 0.858 34 L CB -1.003 41.099 42.059 0.072 0.000 0.969 34 L HN 0.561 nan 8.230 nan 0.000 0.451 35 G N 1.320 110.167 108.800 0.078 0.000 2.176 35 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.252 35 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.252 35 G C 0.337 175.288 174.900 0.085 0.000 1.024 35 G CA -0.101 45.050 45.100 0.086 0.000 0.755 35 G HN 0.447 nan 8.290 nan 0.000 0.507 36 R N -0.032 120.530 120.500 0.103 0.000 3.657 36 R HA 0.389 4.729 4.340 -0.000 0.000 0.220 36 R C 0.496 176.896 176.300 0.167 0.000 1.548 36 R CA -0.386 55.780 56.100 0.110 0.000 1.465 36 R CB 0.343 30.732 30.300 0.149 0.000 1.330 36 R HN 0.513 nan 8.270 nan 0.000 0.707 37 I N 2.299 122.913 120.570 0.073 0.000 2.325 37 I HA 0.109 4.279 4.170 -0.000 0.000 0.291 37 I C 0.125 176.158 176.117 -0.140 0.000 1.019 37 I CA -0.451 60.889 61.300 0.068 0.000 1.302 37 I CB 0.372 38.343 38.000 -0.048 0.000 1.401 37 I HN 0.449 nan 8.210 nan 0.000 0.485 38 H N 6.824 125.728 119.070 -0.277 0.000 2.525 38 H HA 0.195 4.751 4.556 -0.000 0.000 0.339 38 H C 0.456 175.498 175.328 -0.475 0.000 1.109 38 H CA -0.441 55.331 56.048 -0.460 0.000 1.352 38 H CB 1.140 30.527 29.762 -0.625 0.000 1.461 38 H HN 0.664 nan 8.280 nan 0.000 0.533 39 H N 0.911 119.938 119.070 -0.072 0.000 2.521 39 H HA 0.088 4.644 4.556 -0.000 0.000 0.286 39 H C 0.269 175.635 175.328 0.063 0.000 1.034 39 H CA 0.700 56.755 56.048 0.012 0.000 1.278 39 H CB 0.459 30.241 29.762 0.033 0.000 1.386 39 H HN 0.500 nan 8.280 nan 0.000 0.567 40 A N 0.397 123.220 122.820 0.005 0.000 2.429 40 A HA 0.487 4.807 4.320 -0.000 0.000 0.289 40 A C -1.746 175.699 177.584 -0.233 0.000 1.043 40 A CA -0.556 51.483 52.037 0.004 0.000 0.722 40 A CB 0.892 19.894 19.000 0.003 0.000 1.243 40 A HN 0.162 nan 8.150 nan 0.000 0.415 41 Y N 1.790 122.069 120.300 -0.034 0.000 2.328 41 Y HA 0.524 5.074 4.550 -0.000 0.000 0.333 41 Y C -0.202 175.445 175.900 -0.422 0.000 0.958 41 Y CA -0.568 57.381 58.100 -0.252 0.000 1.167 41 Y CB 2.031 40.344 38.460 -0.245 0.000 1.151 41 Y HN 0.676 nan 8.280 nan 0.000 0.470 42 L N 5.117 126.163 121.223 -0.294 0.000 2.272 42 L HA 0.554 4.894 4.340 -0.000 0.000 0.289 42 L C -1.704 174.975 176.870 -0.319 0.000 1.032 42 L CA -0.243 54.447 54.840 -0.251 0.000 0.810 42 L CB 0.047 42.016 42.059 -0.150 0.000 1.205 42 L HN 0.355 nan 8.230 nan 0.000 0.422 43 F N 3.873 123.886 119.950 0.105 0.000 2.375 43 F HA 0.522 5.048 4.527 -0.000 0.000 0.361 43 F C 0.507 176.291 175.800 -0.028 0.000 1.117 43 F CA -0.521 57.522 58.000 0.072 0.000 1.037 43 F CB 1.430 40.467 39.000 0.063 0.000 1.192 43 F HN 0.532 nan 8.300 nan 0.000 0.452 44 S N 1.731 117.452 115.700 0.034 0.000 2.681 44 S HA 1.009 5.479 4.470 -0.000 0.000 0.299 44 S C -0.097 174.306 174.600 -0.329 0.000 1.113 44 S CA -0.306 57.780 58.200 -0.190 0.000 1.013 44 S CB 2.006 65.004 63.200 -0.337 0.000 1.076 44 S HN 1.349 nan 8.310 nan 0.000 0.534 45 G N 0.455 109.085 108.800 -0.283 0.000 2.326 45 G HA2 0.314 4.273 3.960 -0.000 0.000 0.413 45 G HA3 0.314 4.273 3.960 -0.000 0.000 0.413 45 G C -0.509 174.376 174.900 -0.025 0.000 1.444 45 G CA -0.500 44.518 45.100 -0.137 0.000 1.002 45 G HN 0.995 nan 8.290 nan 0.000 0.649 46 T N 0.111 114.681 114.554 0.027 0.000 2.716 46 T HA 0.381 4.731 4.350 -0.000 0.000 0.335 46 T C 1.145 175.857 174.700 0.021 0.000 1.081 46 T CA 0.737 62.855 62.100 0.029 0.000 1.073 46 T CB 0.282 69.172 68.868 0.037 0.000 0.993 46 T HN 1.069 nan 8.240 nan 0.000 0.547 47 R N -0.261 120.255 120.500 0.026 0.000 2.582 47 R HA 0.519 4.859 4.340 -0.000 0.000 0.271 47 R C 1.203 177.513 176.300 0.016 0.000 1.078 47 R CA 0.366 56.481 56.100 0.024 0.000 1.127 47 R CB -0.027 30.292 30.300 0.031 0.000 1.038 47 R HN 0.884 nan 8.270 nan 0.000 0.500 48 G N 0.540 109.347 108.800 0.010 0.000 2.308 48 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.221 48 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.221 48 G C -0.184 174.713 174.900 -0.006 0.000 1.032 48 G CA -0.046 45.056 45.100 0.003 0.000 0.623 48 G HN 0.588 nan 8.290 nan 0.000 0.506 49 V N 1.867 121.778 119.914 -0.006 0.000 2.775 49 V HA 0.534 4.653 4.120 -0.000 0.000 0.299 49 V C 1.728 177.800 176.094 -0.037 0.000 1.062 49 V CA 0.538 62.828 62.300 -0.018 0.000 1.063 49 V CB 1.529 33.348 31.823 -0.007 0.000 0.994 49 V HN 0.922 nan 8.190 nan 0.000 0.483 50 G N 2.792 111.554 108.800 -0.063 0.000 3.180 50 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.246 50 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.246 50 G C 0.928 175.742 174.900 -0.144 0.000 0.939 50 G CA -0.161 44.883 45.100 -0.092 0.000 1.920 50 G HN 0.857 nan 8.290 nan 0.000 0.612 51 K N -0.008 120.330 120.400 -0.103 0.000 2.001 51 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 51 K C 2.940 179.454 176.600 -0.143 0.000 1.048 51 K CA 1.794 58.008 56.287 -0.122 0.000 0.932 51 K CB -0.276 32.229 32.500 0.008 0.000 0.715 51 K HN 0.472 nan 8.250 nan 0.000 0.437 52 T N -0.938 113.586 114.554 -0.051 0.000 2.737 52 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 52 T C 2.246 176.907 174.700 -0.065 0.000 1.038 52 T CA 1.711 63.799 62.100 -0.021 0.000 1.144 52 T CB -0.395 68.482 68.868 0.015 0.000 0.866 52 T HN 0.105 nan 8.240 nan 0.000 0.434 53 S N 0.975 116.631 115.700 -0.075 0.000 2.365 53 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 53 S C 2.022 176.555 174.600 -0.112 0.000 1.039 53 S CA 1.570 59.726 58.200 -0.073 0.000 1.033 53 S CB -0.703 62.460 63.200 -0.062 0.000 0.887 53 S HN 0.619 nan 8.310 nan 0.000 0.447 54 I N 1.214 121.653 120.570 -0.219 0.000 2.676 54 I HA -0.052 4.118 4.170 -0.000 0.000 0.259 54 I C 2.590 178.517 176.117 -0.316 0.000 1.194 54 I CA 0.777 61.892 61.300 -0.308 0.000 1.473 54 I CB -0.442 37.244 38.000 -0.523 0.000 1.096 54 I HN 0.366 nan 8.210 nan 0.000 0.443 55 A N 0.972 123.603 122.820 -0.314 0.000 1.969 55 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 55 A C 2.382 179.955 177.584 -0.018 0.000 1.169 55 A CA 1.113 53.070 52.037 -0.133 0.000 0.635 55 A CB -0.377 18.636 19.000 0.021 0.000 0.810 55 A HN 0.286 nan 8.150 nan 0.000 0.445 56 R N -0.419 120.063 120.500 -0.030 0.000 2.066 56 R HA 0.026 4.366 4.340 -0.000 0.000 0.232 56 R C 1.758 178.041 176.300 -0.028 0.000 1.131 56 R CA 1.375 57.463 56.100 -0.021 0.000 0.955 56 R CB -0.469 29.816 30.300 -0.025 0.000 0.851 56 R HN 0.488 nan 8.270 nan 0.000 0.432 57 L N 0.991 122.225 121.223 0.019 0.000 2.549 57 L HA -0.129 4.211 4.340 -0.000 0.000 0.229 57 L C 2.072 178.906 176.870 -0.059 0.000 1.158 57 L CA 0.248 55.104 54.840 0.028 0.000 0.842 57 L CB -0.269 41.949 42.059 0.266 0.000 0.952 57 L HN 0.213 nan 8.230 nan 0.000 0.452 58 L N 0.068 121.312 121.223 0.036 0.000 2.130 58 L HA 0.110 4.450 4.340 -0.000 0.000 0.200 58 L C 2.577 179.396 176.870 -0.085 0.000 1.075 58 L CA 1.640 56.479 54.840 -0.001 0.000 0.768 58 L CB -0.457 41.624 42.059 0.037 0.000 0.933 58 L HN 0.050 nan 8.230 nan 0.000 0.451 59 A N -0.876 121.912 122.820 -0.053 0.000 2.121 59 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 59 A C 2.311 179.820 177.584 -0.125 0.000 1.154 59 A CA 1.507 53.507 52.037 -0.061 0.000 0.679 59 A CB -0.590 18.396 19.000 -0.023 0.000 0.795 59 A HN 0.464 nan 8.150 nan 0.000 0.458 60 K N -0.959 119.349 120.400 -0.153 0.000 2.366 60 K HA 0.005 4.325 4.320 -0.000 0.000 0.198 60 K C 1.493 177.973 176.600 -0.200 0.000 1.044 60 K CA 0.818 56.988 56.287 -0.195 0.000 0.973 60 K CB -0.108 32.283 32.500 -0.181 0.000 0.767 60 K HN 0.424 nan 8.250 nan 0.000 0.475 61 G N -0.364 108.312 108.800 -0.206 0.000 3.062 61 G HA2 0.066 4.026 3.960 -0.000 0.000 0.228 61 G HA3 0.066 4.026 3.960 -0.000 0.000 0.228 61 G C 1.091 175.936 174.900 -0.091 0.000 1.094 61 G CA -0.295 44.689 45.100 -0.194 0.000 0.782 61 G HN 0.064 nan 8.290 nan 0.000 0.541 62 L N 0.172 121.360 121.223 -0.058 0.000 2.145 62 L HA 0.131 4.471 4.340 -0.000 0.000 0.201 62 L C 1.990 179.016 176.870 0.261 0.000 1.075 62 L CA 0.660 55.532 54.840 0.053 0.000 0.773 62 L CB 0.018 42.025 42.059 -0.086 0.000 0.936 62 L HN 0.081 nan 8.230 nan 0.000 0.451 63 N N -0.950 117.823 118.700 0.122 0.000 2.325 63 N HA -0.007 4.733 4.740 -0.000 0.000 0.182 63 N C 0.512 176.019 175.510 -0.004 0.000 1.088 63 N CA 0.018 53.128 53.050 0.099 0.000 0.879 63 N CB -0.152 38.359 38.487 0.041 0.000 0.983 63 N HN 0.197 nan 8.380 nan 0.000 0.471 64 C N 2.287 121.554 119.300 -0.055 0.000 2.502 64 C HA -0.046 4.413 4.460 -0.000 0.000 0.404 64 C C 1.878 176.852 174.990 -0.027 0.000 1.409 64 C CA 0.008 58.983 59.018 -0.072 0.000 1.648 64 C CB -0.243 27.444 27.740 -0.088 0.000 2.571 64 C HN 0.461 nan 8.230 nan 0.000 0.601 65 E N 1.710 121.894 120.200 -0.028 0.000 2.268 65 E HA -0.118 4.231 4.350 -0.000 0.000 0.195 65 E C 1.823 178.416 176.600 -0.013 0.000 0.995 65 E CA 1.523 57.917 56.400 -0.010 0.000 0.836 65 E CB 0.031 29.727 29.700 -0.007 0.000 0.763 65 E HN 0.864 nan 8.360 nan 0.000 0.491 66 T N 0.263 114.803 114.554 -0.024 0.000 3.113 66 T HA 0.132 4.481 4.350 -0.000 0.000 0.263 66 T C 0.564 175.256 174.700 -0.014 0.000 1.143 66 T CA 0.618 62.704 62.100 -0.023 0.000 1.090 66 T CB 0.100 68.947 68.868 -0.036 0.000 0.922 66 T HN 0.425 nan 8.240 nan 0.000 0.521 67 G N 0.981 109.778 108.800 -0.005 0.000 2.497 67 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.686 67 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.686 67 G C -0.772 174.139 174.900 0.020 0.000 1.288 67 G CA -1.186 43.921 45.100 0.012 0.000 0.899 67 G HN 0.319 nan 8.290 nan 0.000 0.608 68 I N 2.170 122.772 120.570 0.053 0.000 2.576 68 I HA 0.231 4.401 4.170 -0.000 0.000 0.288 68 I C 0.755 176.875 176.117 0.005 0.000 1.126 68 I CA 0.527 61.865 61.300 0.064 0.000 1.362 68 I CB -0.259 37.816 38.000 0.126 0.000 1.419 68 I HN 0.533 nan 8.210 nan 0.000 0.533 69 T N 3.715 118.241 114.554 -0.046 0.000 2.907 69 T HA 0.512 4.862 4.350 -0.000 0.000 0.292 69 T C 0.681 175.283 174.700 -0.163 0.000 1.043 69 T CA -0.671 61.379 62.100 -0.083 0.000 1.003 69 T CB 2.212 71.025 68.868 -0.091 0.000 1.084 69 T HN 0.551 nan 8.240 nan 0.000 0.483 70 A N 0.670 123.399 122.820 -0.151 0.000 2.220 70 A HA 0.342 4.662 4.320 -0.000 0.000 0.211 70 A C 0.983 178.391 177.584 -0.293 0.000 1.176 70 A CA 0.162 52.060 52.037 -0.230 0.000 0.834 70 A CB 0.002 18.979 19.000 -0.038 0.000 0.868 70 A HN 0.716 nan 8.150 nan 0.000 0.488 71 T N 2.577 117.018 114.554 -0.188 0.000 3.331 71 T HA 0.424 4.773 4.350 -0.000 0.000 0.381 71 T C -2.890 171.721 174.700 -0.149 0.000 1.656 71 T CA -1.038 60.973 62.100 -0.149 0.000 1.453 71 T CB 0.965 69.787 68.868 -0.075 0.000 1.066 71 T HN 0.087 nan 8.240 nan 0.000 0.655 72 P HA 0.237 nan 4.420 nan 0.000 0.272 72 P C 0.089 177.320 177.300 -0.116 0.000 1.223 72 P CA -0.681 62.323 63.100 -0.160 0.000 0.784 72 P CB 0.330 31.909 31.700 -0.203 0.000 0.923 73 C N 0.458 119.702 119.300 -0.094 0.000 2.325 73 C HA 0.612 5.071 4.460 -0.000 0.000 0.347 73 C C 1.771 176.714 174.990 -0.078 0.000 1.263 73 C CA -0.080 58.893 59.018 -0.074 0.000 1.806 73 C CB -0.031 27.674 27.740 -0.059 0.000 2.405 73 C HN 0.765 nan 8.230 nan 0.000 0.537 74 G N 2.267 111.024 108.800 -0.073 0.000 2.708 74 G HA2 0.078 4.038 3.960 -0.000 0.000 0.210 74 G HA3 0.078 4.038 3.960 -0.000 0.000 0.210 74 G C 0.965 175.827 174.900 -0.064 0.000 1.141 74 G CA 1.135 46.192 45.100 -0.073 0.000 0.788 74 G HN 1.361 nan 8.290 nan 0.000 0.531 75 V N -1.350 118.531 119.914 -0.056 0.000 3.085 75 V HA 0.128 4.248 4.120 -0.000 0.000 0.245 75 V C 1.857 177.926 176.094 -0.041 0.000 1.114 75 V CA -0.183 62.090 62.300 -0.045 0.000 1.108 75 V CB -1.152 30.649 31.823 -0.037 0.000 0.798 75 V HN 0.406 nan 8.190 nan 0.000 0.471 76 C N 2.218 121.492 119.300 -0.045 0.000 2.611 76 C HA 0.102 4.561 4.460 -0.000 0.000 0.416 76 C C 1.739 176.707 174.990 -0.037 0.000 1.366 76 C CA 0.274 59.270 59.018 -0.037 0.000 1.761 76 C CB -0.539 27.176 27.740 -0.041 0.000 2.619 76 C HN 0.639 nan 8.230 nan 0.000 0.606 77 D N 2.723 123.115 120.400 -0.013 0.000 2.218 77 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 77 D C 1.570 177.872 176.300 0.004 0.000 1.007 77 D CA 2.014 56.019 54.000 0.008 0.000 0.879 77 D CB -0.050 40.772 40.800 0.036 0.000 0.918 77 D HN 0.749 nan 8.370 nan 0.000 0.449 78 N N 0.150 118.828 118.700 -0.036 0.000 2.142 78 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 78 N C 2.050 177.394 175.510 -0.277 0.000 1.023 78 N CA 0.513 53.455 53.050 -0.180 0.000 0.852 78 N CB -0.762 37.604 38.487 -0.202 0.000 0.998 78 N HN 0.248 nan 8.380 nan 0.000 0.424 79 C N 1.053 120.247 119.300 -0.177 0.000 2.432 79 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 79 C C 2.698 177.613 174.990 -0.124 0.000 1.249 79 C CA 0.405 59.327 59.018 -0.161 0.000 1.725 79 C CB -0.820 26.849 27.740 -0.120 0.000 2.028 79 C HN 0.473 nan 8.230 nan 0.000 0.477 80 R N 0.753 121.203 120.500 -0.084 0.000 2.073 80 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 80 R C 2.091 178.367 176.300 -0.040 0.000 1.134 80 R CA 1.469 57.536 56.100 -0.055 0.000 0.952 80 R CB -0.395 29.884 30.300 -0.035 0.000 0.850 80 R HN 0.655 nan 8.270 nan 0.000 0.433 81 E N 0.411 120.600 120.200 -0.019 0.000 2.204 81 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 81 E C 1.941 178.551 176.600 0.018 0.000 0.990 81 E CA 0.917 57.343 56.400 0.044 0.000 0.821 81 E CB -0.055 29.753 29.700 0.181 0.000 0.750 81 E HN 0.387 nan 8.360 nan 0.000 0.477 82 I N 0.689 121.196 120.570 -0.106 0.000 2.286 82 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 82 I C 2.314 178.396 176.117 -0.058 0.000 1.104 82 I CA 0.827 62.054 61.300 -0.121 0.000 1.397 82 I CB 0.050 37.900 38.000 -0.248 0.000 1.072 82 I HN -0.021 nan 8.210 nan 0.000 0.417 83 E N 1.005 121.167 120.200 -0.064 0.000 2.478 83 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 83 E C 1.319 177.904 176.600 -0.025 0.000 1.046 83 E CA 0.840 57.213 56.400 -0.045 0.000 0.870 83 E CB 0.044 29.712 29.700 -0.054 0.000 0.818 83 E HN 0.479 nan 8.360 nan 0.000 0.527 84 Q N -1.538 118.254 119.800 -0.013 0.000 2.172 84 Q HA 0.265 4.605 4.340 -0.000 0.000 0.217 84 Q C 0.976 176.985 176.000 0.014 0.000 0.832 84 Q CA 0.205 56.007 55.803 -0.001 0.000 1.010 84 Q CB 1.059 29.797 28.738 0.000 0.000 1.133 84 Q HN 0.332 nan 8.270 nan 0.000 0.489 85 G N 2.255 111.066 108.800 0.019 0.000 2.480 85 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.246 85 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.246 85 G C 0.464 175.397 174.900 0.055 0.000 1.073 85 G CA 0.126 45.245 45.100 0.032 0.000 0.643 85 G HN 0.317 nan 8.290 nan 0.000 0.525 86 R N 0.022 120.560 120.500 0.063 0.000 2.235 86 R HA 0.592 4.932 4.340 -0.000 0.000 0.338 86 R C -1.200 175.206 176.300 0.176 0.000 1.087 86 R CA -0.354 55.796 56.100 0.083 0.000 0.948 86 R CB 0.355 30.686 30.300 0.052 0.000 1.099 86 R HN 0.185 nan 8.270 nan 0.000 0.483 87 F N 2.065 121.998 119.950 -0.029 0.000 2.591 87 F HA 0.168 4.695 4.527 -0.000 0.000 0.309 87 F C 0.883 176.658 175.800 -0.042 0.000 1.098 87 F CA -1.127 56.854 58.000 -0.032 0.000 0.937 87 F CB 1.348 40.329 39.000 -0.031 0.000 1.250 87 F HN 0.109 nan 8.300 nan 0.000 0.447 88 V N 2.759 122.194 119.914 -0.798 0.000 2.250 88 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 88 V C 1.442 177.245 176.094 -0.486 0.000 1.060 88 V CA 2.621 64.562 62.300 -0.598 0.000 1.030 88 V CB -0.382 31.058 31.823 -0.637 0.000 0.643 88 V HN 0.741 nan 8.190 nan 0.000 0.445 89 D N -0.637 119.373 120.400 -0.649 0.000 2.305 89 D HA 0.078 4.717 4.640 -0.000 0.000 0.206 89 D C 0.957 177.188 176.300 -0.116 0.000 0.974 89 D CA 0.094 53.938 54.000 -0.258 0.000 0.871 89 D CB 0.098 40.843 40.800 -0.092 0.000 0.947 89 D HN 0.327 nan 8.370 nan 0.000 0.516 90 L N 2.383 123.668 121.223 0.103 0.000 2.462 90 L HA 0.192 4.532 4.340 -0.000 0.000 0.283 90 L C -0.325 176.514 176.870 -0.050 0.000 1.166 90 L CA 0.020 54.906 54.840 0.077 0.000 0.964 90 L CB -0.613 41.576 42.059 0.216 0.000 1.294 90 L HN -0.131 nan 8.230 nan 0.000 0.449 91 I N 4.666 125.108 120.570 -0.213 0.000 2.308 91 I HA 0.149 4.319 4.170 -0.000 0.000 0.293 91 I C 0.164 176.268 176.117 -0.023 0.000 1.078 91 I CA -0.170 61.027 61.300 -0.171 0.000 1.292 91 I CB 0.303 38.092 38.000 -0.352 0.000 1.423 91 I HN 0.529 nan 8.210 nan 0.000 0.493 92 E N 7.781 127.998 120.200 0.029 0.000 2.046 92 E HA 0.454 4.804 4.350 -0.000 0.000 0.279 92 E C -0.671 175.982 176.600 0.087 0.000 0.989 92 E CA -0.297 56.146 56.400 0.071 0.000 0.798 92 E CB 1.345 31.081 29.700 0.059 0.000 1.086 92 E HN 0.511 nan 8.360 nan 0.000 0.399 93 I N 2.254 122.897 120.570 0.123 0.000 2.354 93 I HA 0.149 4.319 4.170 -0.000 0.000 0.292 93 I C -0.145 176.036 176.117 0.107 0.000 0.989 93 I CA -0.716 60.656 61.300 0.119 0.000 1.188 93 I CB 1.369 39.461 38.000 0.153 0.000 1.342 93 I HN 0.360 nan 8.210 nan 0.000 0.457 94 D N 5.579 126.030 120.400 0.085 0.000 2.499 94 D HA 0.344 4.983 4.640 -0.000 0.000 0.225 94 D C 1.080 177.422 176.300 0.070 0.000 1.124 94 D CA -0.284 53.762 54.000 0.077 0.000 0.938 94 D CB 1.413 42.250 40.800 0.062 0.000 1.014 94 D HN 0.644 nan 8.370 nan 0.000 0.517 95 A N 3.118 125.985 122.820 0.079 0.000 2.104 95 A HA -0.202 4.118 4.320 -0.000 0.000 0.223 95 A C 1.968 179.576 177.584 0.041 0.000 1.164 95 A CA 1.984 54.061 52.037 0.066 0.000 0.659 95 A CB -0.259 18.785 19.000 0.074 0.000 0.808 95 A HN 0.553 nan 8.150 nan 0.000 0.465 96 A N -1.012 121.832 122.820 0.040 0.000 2.208 96 A HA 0.327 4.647 4.320 -0.000 0.000 0.209 96 A C 1.359 178.958 177.584 0.026 0.000 1.161 96 A CA 0.788 52.839 52.037 0.023 0.000 0.782 96 A CB -0.370 18.649 19.000 0.031 0.000 0.816 96 A HN 0.479 nan 8.150 nan 0.000 0.477 97 S N -0.421 115.300 115.700 0.034 0.000 2.499 97 S HA 0.289 4.759 4.470 -0.000 0.000 0.275 97 S C 1.089 175.706 174.600 0.028 0.000 1.257 97 S CA -0.556 57.663 58.200 0.032 0.000 1.050 97 S CB 0.425 63.647 63.200 0.036 0.000 0.937 97 S HN 0.514 nan 8.310 nan 0.000 0.490 98 R N 2.495 123.009 120.500 0.023 0.000 2.189 98 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 98 R C 1.584 177.897 176.300 0.022 0.000 1.074 98 R CA 1.509 57.622 56.100 0.021 0.000 0.991 98 R CB -0.196 30.114 30.300 0.017 0.000 0.883 98 R HN 0.626 nan 8.270 nan 0.000 0.457 99 T N 0.310 114.877 114.554 0.023 0.000 3.035 99 T HA 0.037 4.387 4.350 -0.000 0.000 0.259 99 T C 1.000 175.715 174.700 0.025 0.000 1.078 99 T CA 0.786 62.899 62.100 0.022 0.000 1.132 99 T CB 0.210 69.090 68.868 0.020 0.000 0.900 99 T HN 0.148 nan 8.240 nan 0.000 0.480 100 K N 2.133 122.551 120.400 0.030 0.000 2.675 100 K HA 0.236 4.556 4.320 -0.000 0.000 0.213 100 K C 1.600 178.224 176.600 0.040 0.000 1.074 100 K CA -0.078 56.230 56.287 0.035 0.000 1.172 100 K CB 0.263 32.788 32.500 0.041 0.000 0.927 100 K HN 0.216 nan 8.250 nan 0.000 0.471 101 V N -1.495 118.440 119.914 0.036 0.000 2.407 101 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 101 V C 2.139 178.256 176.094 0.038 0.000 1.055 101 V CA 1.670 63.994 62.300 0.040 0.000 1.049 101 V CB -0.486 31.358 31.823 0.034 0.000 0.662 101 V HN 0.395 nan 8.190 nan 0.000 0.455 102 E N 0.478 120.695 120.200 0.028 0.000 2.028 102 E HA -0.221 4.129 4.350 -0.000 0.000 0.190 102 E C 2.014 178.635 176.600 0.035 0.000 0.984 102 E CA 1.276 57.690 56.400 0.023 0.000 0.800 102 E CB -0.141 29.568 29.700 0.015 0.000 0.758 102 E HN 0.592 nan 8.360 nan 0.000 0.448 103 D N -0.028 120.395 120.400 0.038 0.000 2.158 103 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 103 D C 1.901 178.239 176.300 0.064 0.000 0.995 103 D CA 1.482 55.510 54.000 0.047 0.000 0.846 103 D CB -0.371 40.456 40.800 0.045 0.000 0.941 103 D HN 0.208 nan 8.370 nan 0.000 0.456 104 T N 0.520 115.114 114.554 0.066 0.000 2.674 104 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 104 T C 1.972 176.719 174.700 0.079 0.000 1.039 104 T CA 1.154 63.302 62.100 0.081 0.000 1.150 104 T CB -0.001 68.913 68.868 0.077 0.000 0.864 104 T HN 0.149 nan 8.240 nan 0.000 0.427 105 R N 0.807 121.348 120.500 0.069 0.000 2.073 105 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 105 R C 1.981 178.315 176.300 0.058 0.000 1.134 105 R CA 1.914 58.054 56.100 0.066 0.000 0.952 105 R CB -0.248 30.082 30.300 0.051 0.000 0.850 105 R HN 0.298 nan 8.270 nan 0.000 0.433 106 D N 0.645 121.076 120.400 0.052 0.000 2.084 106 D HA -0.167 4.472 4.640 -0.000 0.000 0.194 106 D C 2.064 178.403 176.300 0.064 0.000 0.990 106 D CA 1.215 55.246 54.000 0.051 0.000 0.826 106 D CB -0.317 40.509 40.800 0.044 0.000 0.971 106 D HN 0.265 nan 8.370 nan 0.000 0.453 107 L N 0.393 121.666 121.223 0.083 0.000 2.079 107 L HA -0.162 4.177 4.340 -0.000 0.000 0.210 107 L C 2.531 179.463 176.870 0.104 0.000 1.081 107 L CA 0.756 55.669 54.840 0.121 0.000 0.752 107 L CB -0.335 41.825 42.059 0.168 0.000 0.896 107 L HN 0.042 nan 8.230 nan 0.000 0.433 108 L N -0.836 120.430 121.223 0.072 0.000 2.291 108 L HA -0.132 4.208 4.340 -0.000 0.000 0.214 108 L C 1.607 178.481 176.870 0.007 0.000 1.120 108 L CA 0.607 55.457 54.840 0.016 0.000 0.799 108 L CB -0.369 41.700 42.059 0.016 0.000 0.925 108 L HN 0.264 nan 8.230 nan 0.000 0.446 109 D N -0.282 120.138 120.400 0.034 0.000 2.348 109 D HA 0.007 4.647 4.640 -0.000 0.000 0.211 109 D C 0.468 176.798 176.300 0.051 0.000 0.998 109 D CA 0.598 54.622 54.000 0.041 0.000 0.873 109 D CB 0.220 41.048 40.800 0.046 0.000 0.925 109 D HN 0.273 nan 8.370 nan 0.000 0.524 110 N N 0.767 119.497 118.700 0.049 0.000 2.723 110 N HA 0.096 4.836 4.740 -0.000 0.000 0.290 110 N C -0.630 174.905 175.510 0.042 0.000 1.882 110 N CA -0.099 52.989 53.050 0.064 0.000 0.851 110 N CB 2.200 40.730 38.487 0.070 0.000 1.234 110 N HN -0.151 nan 8.380 nan 0.000 0.491 111 V N 1.495 121.377 119.914 -0.052 0.000 2.617 111 V HA -0.077 4.043 4.120 -0.000 0.000 0.304 111 V C 0.871 176.847 176.094 -0.197 0.000 1.040 111 V CA 0.343 62.525 62.300 -0.196 0.000 1.149 111 V CB 0.567 32.083 31.823 -0.512 0.000 0.914 111 V HN 0.325 nan 8.190 nan 0.000 0.487 112 Q N 4.168 123.966 119.800 -0.003 0.000 2.441 112 Q HA 0.224 4.564 4.340 -0.000 0.000 0.234 112 Q C -0.102 175.981 176.000 0.137 0.000 1.078 112 Q CA -0.213 55.633 55.803 0.072 0.000 0.907 112 Q CB 0.390 29.178 28.738 0.084 0.000 1.269 112 Q HN 0.771 nan 8.270 nan 0.000 0.502 113 Y N 0.723 121.251 120.300 0.381 0.000 2.483 113 Y HA -0.092 4.457 4.550 -0.000 0.000 0.291 113 Y C 1.005 176.529 175.900 -0.627 0.000 1.143 113 Y CA 0.415 59.354 58.100 1.397 0.000 1.289 113 Y CB 0.426 39.281 38.460 0.659 0.000 0.983 113 Y HN 0.484 nan 8.280 nan 0.000 0.556 114 A N 0.359 123.035 122.820 -0.240 0.000 2.311 114 A HA 0.556 4.876 4.320 -0.000 0.000 0.306 114 A C -2.620 174.898 177.584 -0.110 0.000 1.189 114 A CA -1.848 49.938 52.037 -0.420 0.000 0.791 114 A CB 0.436 19.279 19.000 -0.262 0.000 1.172 114 A HN -0.114 nan 8.150 nan 0.000 0.481 115 P HA 0.263 nan 4.420 nan 0.000 0.267 115 P C 0.789 178.053 177.300 -0.061 0.000 1.200 115 P CA 0.338 63.425 63.100 -0.022 0.000 0.772 115 P CB 1.087 32.790 31.700 0.004 0.000 0.855 116 A N 2.328 125.098 122.820 -0.082 0.000 1.997 116 A HA 0.024 4.343 4.320 -0.000 0.000 0.212 116 A C 2.000 179.536 177.584 -0.081 0.000 1.178 116 A CA 1.245 53.229 52.037 -0.088 0.000 0.698 116 A CB -0.314 18.620 19.000 -0.110 0.000 0.842 116 A HN 0.472 nan 8.150 nan 0.000 0.458 117 R N -1.261 119.187 120.500 -0.087 0.000 3.275 117 R HA 0.281 4.621 4.340 -0.000 0.000 0.154 117 R C 1.280 177.622 176.300 0.070 0.000 0.843 117 R CA 0.876 56.961 56.100 -0.026 0.000 1.027 117 R CB -0.564 29.698 30.300 -0.064 0.000 1.423 117 R HN 0.323 nan 8.270 nan 0.000 0.530 118 G N 0.323 109.234 108.800 0.185 0.000 2.667 118 G HA2 0.126 4.086 3.960 -0.000 0.000 0.250 118 G HA3 0.126 4.086 3.960 -0.000 0.000 0.250 118 G C -0.118 174.845 174.900 0.106 0.000 1.212 118 G CA -0.298 44.977 45.100 0.292 0.000 0.874 118 G HN 0.349 nan 8.290 nan 0.000 0.561 119 R N -0.572 119.956 120.500 0.047 0.000 2.090 119 R HA 0.070 4.409 4.340 -0.000 0.000 0.228 119 R C -0.004 176.066 176.300 -0.384 0.000 1.110 119 R CA 0.799 56.771 56.100 -0.213 0.000 0.973 119 R CB -0.031 30.069 30.300 -0.333 0.000 0.869 119 R HN 0.431 nan 8.270 nan 0.000 0.440 120 F N -0.088 119.929 119.950 0.112 0.000 2.538 120 F HA 0.362 4.889 4.527 -0.000 0.000 0.325 120 F C 0.278 176.143 175.800 0.108 0.000 1.066 120 F CA -1.098 56.971 58.000 0.114 0.000 0.946 120 F CB 1.387 40.441 39.000 0.090 0.000 1.199 120 F HN -0.372 nan 8.300 nan 0.000 0.473 121 K N 2.407 122.974 120.400 0.278 0.000 2.360 121 K HA 0.447 4.767 4.320 -0.000 0.000 0.235 121 K C -1.243 175.370 176.600 0.022 0.000 1.077 121 K CA -0.256 56.097 56.287 0.109 0.000 1.035 121 K CB 0.293 32.875 32.500 0.135 0.000 1.623 121 K HN 0.491 nan 8.250 nan 0.000 0.462 122 V N 3.626 123.556 119.914 0.026 0.000 2.655 122 V HA -0.024 4.096 4.120 -0.000 0.000 0.300 122 V C -0.277 175.709 176.094 -0.179 0.000 1.044 122 V CA 0.141 62.441 62.300 0.000 0.000 1.095 122 V CB 0.101 31.965 31.823 0.068 0.000 0.952 122 V HN 0.479 nan 8.190 nan 0.000 0.485 123 Y N 4.283 124.542 120.300 -0.068 0.000 2.805 123 Y HA 0.434 4.984 4.550 -0.000 0.000 0.339 123 Y C -0.089 175.890 175.900 0.132 0.000 1.012 123 Y CA -0.785 57.311 58.100 -0.007 0.000 1.262 123 Y CB 1.399 39.777 38.460 -0.137 0.000 1.100 123 Y HN 0.580 nan 8.280 nan 0.000 0.559 124 L N 5.227 126.572 121.223 0.203 0.000 2.385 124 L HA 0.427 4.766 4.340 -0.000 0.000 0.281 124 L C -0.827 176.170 176.870 0.210 0.000 1.106 124 L CA 0.113 55.075 54.840 0.203 0.000 0.856 124 L CB -0.388 41.752 42.059 0.136 0.000 1.186 124 L HN 0.380 nan 8.230 nan 0.000 0.453 125 I N 4.666 125.373 120.570 0.228 0.000 2.410 125 I HA 0.294 4.464 4.170 -0.000 0.000 0.286 125 I C -0.590 175.624 176.117 0.162 0.000 1.009 125 I CA -0.710 60.704 61.300 0.190 0.000 1.111 125 I CB 1.537 39.651 38.000 0.190 0.000 1.262 125 I HN 0.488 nan 8.210 nan 0.000 0.443 126 D N 7.292 127.774 120.400 0.137 0.000 2.295 126 D HA 0.127 4.767 4.640 -0.000 0.000 0.248 126 D C -0.110 176.274 176.300 0.141 0.000 1.154 126 D CA 0.300 54.378 54.000 0.130 0.000 0.857 126 D CB 0.748 41.611 40.800 0.104 0.000 1.117 126 D HN 0.555 nan 8.370 nan 0.000 0.468 127 E N 1.875 122.181 120.200 0.176 0.000 2.613 127 E HA -0.151 4.198 4.350 -0.000 0.000 0.161 127 E C 1.118 177.876 176.600 0.263 0.000 1.664 127 E CA 0.262 56.830 56.400 0.280 0.000 0.661 127 E CB -0.977 28.898 29.700 0.292 0.000 1.098 127 E HN 0.407 nan 8.360 nan 0.000 0.364 128 V N -0.515 119.558 119.914 0.264 0.000 3.041 128 V HA -0.180 3.940 4.120 -0.000 0.000 0.260 128 V C 2.058 178.334 176.094 0.302 0.000 1.105 128 V CA 1.683 64.101 62.300 0.197 0.000 1.125 128 V CB -0.523 31.347 31.823 0.079 0.000 0.730 128 V HN 0.708 nan 8.190 nan 0.000 0.479 129 H N -0.573 118.589 119.070 0.152 0.000 2.563 129 H HA 0.182 4.737 4.556 -0.000 0.000 0.272 129 H C 1.315 176.702 175.328 0.099 0.000 1.005 129 H CA 0.692 56.835 56.048 0.159 0.000 1.171 129 H CB -0.186 29.628 29.762 0.088 0.000 1.351 129 H HN 0.497 nan 8.280 nan 0.000 0.602 130 M N 0.741 120.201 119.600 -0.233 0.000 2.496 130 M HA 0.281 4.761 4.480 -0.000 0.000 0.330 130 M C -0.457 175.826 176.300 -0.029 0.000 1.133 130 M CA -0.083 55.082 55.300 -0.226 0.000 0.964 130 M CB 0.738 33.151 32.600 -0.312 0.000 1.401 130 M HN 0.016 nan 8.290 nan 0.000 0.520 131 L N 0.815 122.096 121.223 0.097 0.000 2.397 131 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 131 L C 0.702 177.649 176.870 0.128 0.000 1.148 131 L CA -0.575 54.357 54.840 0.154 0.000 0.825 131 L CB 1.031 43.242 42.059 0.253 0.000 1.117 131 L HN 0.307 nan 8.230 nan 0.000 0.456 132 S N 2.288 118.057 115.700 0.115 0.000 2.552 132 S HA 0.051 4.521 4.470 -0.000 0.000 0.289 132 S C 1.063 175.670 174.600 0.010 0.000 1.304 132 S CA -0.489 57.764 58.200 0.088 0.000 1.063 132 S CB 0.625 63.987 63.200 0.271 0.000 0.848 132 S HN 0.618 nan 8.310 nan 0.000 0.499 133 R N 1.396 121.756 120.500 -0.232 0.000 2.226 133 R HA -0.180 4.160 4.340 -0.000 0.000 0.246 133 R C 1.578 177.762 176.300 -0.194 0.000 1.161 133 R CA 2.155 58.087 56.100 -0.280 0.000 0.997 133 R CB -0.687 29.376 30.300 -0.394 0.000 0.870 133 R HN 0.838 nan 8.270 nan 0.000 0.465 134 H N -0.454 118.654 119.070 0.064 0.000 2.307 134 H HA -0.009 4.547 4.556 -0.000 0.000 0.303 134 H C 2.284 177.657 175.328 0.075 0.000 1.073 134 H CA 1.515 57.599 56.048 0.059 0.000 1.338 134 H CB -0.101 29.685 29.762 0.039 0.000 1.389 134 H HN 0.202 nan 8.280 nan 0.000 0.503 135 S N -0.106 115.723 115.700 0.215 0.000 2.562 135 S HA -0.066 4.404 4.470 -0.000 0.000 0.221 135 S C 1.744 176.406 174.600 0.103 0.000 0.975 135 S CA 0.021 58.301 58.200 0.134 0.000 0.918 135 S CB -0.420 62.851 63.200 0.119 0.000 0.772 135 S HN 0.361 nan 8.310 nan 0.000 0.531 136 F N 3.084 123.024 119.950 -0.016 0.000 2.187 136 F HA 0.127 4.654 4.527 -0.001 0.000 0.295 136 F C 2.145 177.911 175.800 -0.056 0.000 1.091 136 F CA 1.092 59.064 58.000 -0.046 0.000 1.308 136 F CB -0.223 38.742 39.000 -0.058 0.000 1.030 136 F HN 0.172 nan 8.300 nan 0.000 0.487 137 N N 0.679 119.497 118.700 0.196 0.000 2.244 137 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 137 N C 1.964 177.475 175.510 0.001 0.000 1.016 137 N CA 1.156 54.266 53.050 0.101 0.000 0.866 137 N CB -0.459 38.083 38.487 0.092 0.000 0.980 137 N HN 0.383 nan 8.380 nan 0.000 0.430 138 A N 1.065 123.882 122.820 -0.004 0.000 1.933 138 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 138 A C 2.232 179.753 177.584 -0.106 0.000 1.175 138 A CA 0.874 52.895 52.037 -0.028 0.000 0.628 138 A CB -0.550 18.449 19.000 -0.001 0.000 0.814 138 A HN 0.202 nan 8.150 nan 0.000 0.444 139 L N -0.412 120.687 121.223 -0.208 0.000 2.093 139 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 139 L C 2.297 178.953 176.870 -0.357 0.000 1.085 139 L CA 1.371 55.983 54.840 -0.380 0.000 0.755 139 L CB -0.425 41.304 42.059 -0.550 0.000 0.904 139 L HN 0.405 nan 8.230 nan 0.000 0.435 140 L N -0.578 120.480 121.223 -0.276 0.000 1.970 140 L HA -0.286 4.053 4.340 -0.000 0.000 0.212 140 L C 2.569 179.368 176.870 -0.118 0.000 1.071 140 L CA 1.791 56.522 54.840 -0.182 0.000 0.751 140 L CB -0.605 41.409 42.059 -0.075 0.000 0.889 140 L HN 0.216 nan 8.230 nan 0.000 0.432 141 K N -0.831 119.526 120.400 -0.073 0.000 2.152 141 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 141 K C 1.888 178.473 176.600 -0.025 0.000 1.048 141 K CA 1.775 58.042 56.287 -0.033 0.000 0.933 141 K CB -0.278 32.219 32.500 -0.005 0.000 0.721 141 K HN 0.374 nan 8.250 nan 0.000 0.447 142 T N 1.229 115.753 114.554 -0.049 0.000 3.043 142 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 142 T C 1.765 176.462 174.700 -0.004 0.000 1.094 142 T CA 0.449 62.551 62.100 0.004 0.000 1.127 142 T CB 0.099 68.982 68.868 0.025 0.000 0.905 142 T HN 0.092 nan 8.240 nan 0.000 0.490 143 L N 0.676 121.833 121.223 -0.109 0.000 2.131 143 L HA 0.034 4.373 4.340 -0.000 0.000 0.206 143 L C 2.758 179.580 176.870 -0.080 0.000 1.087 143 L CA 1.051 55.823 54.840 -0.113 0.000 0.767 143 L CB -0.268 41.660 42.059 -0.219 0.000 0.917 143 L HN 0.203 nan 8.230 nan 0.000 0.441 144 E N 1.120 121.276 120.200 -0.073 0.000 2.085 144 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 144 E C 0.170 176.730 176.600 -0.066 0.000 0.994 144 E CA 1.282 57.645 56.400 -0.062 0.000 0.801 144 E CB 0.244 29.917 29.700 -0.045 0.000 0.743 144 E HN 0.354 nan 8.360 nan 0.000 0.453 145 E N 0.636 120.806 120.200 -0.049 0.000 2.761 145 E HA 0.241 4.591 4.350 -0.000 0.000 0.266 145 E C -2.514 174.079 176.600 -0.012 0.000 1.097 145 E CA -1.695 54.675 56.400 -0.051 0.000 0.773 145 E CB 1.865 31.548 29.700 -0.028 0.000 1.453 145 E HN 0.207 nan 8.360 nan 0.000 0.388 146 P HA 0.360 nan 4.420 nan 0.000 0.296 146 P C -2.558 174.751 177.300 0.015 0.000 1.301 146 P CA -1.750 61.364 63.100 0.023 0.000 0.862 146 P CB 1.253 32.977 31.700 0.041 0.000 1.046 147 P HA 0.157 nan 4.420 nan 0.000 0.272 147 P C 0.538 177.843 177.300 0.008 0.000 1.240 147 P CA -0.028 63.092 63.100 0.032 0.000 0.791 147 P CB 1.152 32.866 31.700 0.022 0.000 0.978 148 E N -0.142 120.131 120.200 0.121 0.000 2.204 148 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 148 E C 1.724 178.463 176.600 0.231 0.000 0.989 148 E CA 1.401 57.931 56.400 0.218 0.000 0.824 148 E CB -0.637 29.189 29.700 0.209 0.000 0.756 148 E HN 0.689 nan 8.360 nan 0.000 0.477 149 H N -1.370 117.812 119.070 0.187 0.000 2.482 149 H HA 0.174 4.730 4.556 -0.000 0.000 0.286 149 H C 0.539 176.014 175.328 0.244 0.000 1.017 149 H CA -0.039 56.097 56.048 0.147 0.000 1.322 149 H CB -0.069 29.738 29.762 0.076 0.000 1.426 149 H HN -0.134 nan 8.280 nan 0.000 0.546 150 V N 2.354 122.189 119.914 -0.133 0.000 2.546 150 V HA 0.250 4.370 4.120 -0.000 0.000 0.284 150 V C -0.077 176.028 176.094 0.018 0.000 1.050 150 V CA -0.625 61.641 62.300 -0.056 0.000 0.981 150 V CB 1.361 33.028 31.823 -0.259 0.000 0.990 150 V HN 0.334 nan 8.190 nan 0.000 0.474 151 K N 3.571 123.952 120.400 -0.031 0.000 2.469 151 K HA 0.596 4.916 4.320 -0.000 0.000 0.254 151 K C -1.407 175.114 176.600 -0.131 0.000 0.939 151 K CA -0.475 55.810 56.287 -0.004 0.000 0.812 151 K CB 2.515 35.031 32.500 0.026 0.000 1.301 151 K HN 0.393 nan 8.250 nan 0.000 0.433 152 F N 1.153 121.193 119.950 0.151 0.000 2.492 152 F HA 0.508 5.035 4.527 -0.000 0.000 0.327 152 F C 0.266 176.176 175.800 0.184 0.000 1.079 152 F CA -0.862 57.230 58.000 0.153 0.000 0.967 152 F CB 1.328 40.360 39.000 0.053 0.000 1.169 152 F HN 0.096 nan 8.300 nan 0.000 0.472 153 L N 5.012 126.481 121.223 0.411 0.000 2.462 153 L HA 0.396 4.736 4.340 -0.000 0.000 0.255 153 L C -1.065 175.991 176.870 0.310 0.000 1.076 153 L CA -0.260 54.793 54.840 0.355 0.000 0.920 153 L CB 0.650 42.921 42.059 0.353 0.000 1.214 153 L HN 0.439 nan 8.230 nan 0.000 0.472 154 L N 2.162 123.511 121.223 0.210 0.000 2.371 154 L HA 0.729 5.069 4.340 -0.000 0.000 0.272 154 L C 0.513 177.487 176.870 0.174 0.000 1.124 154 L CA -0.152 54.778 54.840 0.149 0.000 0.816 154 L CB 1.414 43.497 42.059 0.040 0.000 1.129 154 L HN 0.579 nan 8.230 nan 0.000 0.448 155 A N 2.171 125.095 122.820 0.173 0.000 2.423 155 A HA 0.958 5.277 4.320 -0.000 0.000 0.304 155 A C -0.585 177.067 177.584 0.113 0.000 1.104 155 A CA -0.429 51.712 52.037 0.173 0.000 0.757 155 A CB 2.010 21.116 19.000 0.177 0.000 1.313 155 A HN 0.650 nan 8.150 nan 0.000 0.423 156 T N 0.025 114.615 114.554 0.060 0.000 2.886 156 T HA 0.366 4.716 4.350 -0.000 0.000 0.330 156 T C 0.253 174.908 174.700 -0.076 0.000 1.488 156 T CA -0.074 62.011 62.100 -0.025 0.000 1.054 156 T CB 1.561 70.348 68.868 -0.134 0.000 1.348 156 T HN 0.514 nan 8.240 nan 0.000 0.489 157 T N 0.568 115.053 114.554 -0.115 0.000 3.037 157 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 157 T C -0.099 174.528 174.700 -0.122 0.000 1.073 157 T CA 0.442 62.504 62.100 -0.063 0.000 1.091 157 T CB 0.058 68.949 68.868 0.038 0.000 0.935 157 T HN 0.509 nan 8.240 nan 0.000 0.488 158 D N 0.523 120.738 120.400 -0.308 0.000 2.336 158 D HA 0.330 4.970 4.640 -0.000 0.000 0.248 158 D C -2.243 173.888 176.300 -0.280 0.000 1.326 158 D CA -2.074 51.789 54.000 -0.228 0.000 0.973 158 D CB 1.840 42.556 40.800 -0.140 0.000 1.255 158 D HN -0.115 nan 8.370 nan 0.000 0.558 159 P HA -0.085 nan 4.420 nan 0.000 0.222 159 P C 1.101 178.375 177.300 -0.044 0.000 1.147 159 P CA 0.910 63.956 63.100 -0.091 0.000 0.790 159 P CB 0.384 32.061 31.700 -0.037 0.000 0.780 160 Q N -0.394 119.388 119.800 -0.031 0.000 2.230 160 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 160 Q C 1.546 177.551 176.000 0.008 0.000 0.963 160 Q CA 0.871 56.671 55.803 -0.004 0.000 0.866 160 Q CB -0.221 28.519 28.738 0.004 0.000 0.931 160 Q HN 0.353 nan 8.270 nan 0.000 0.452 161 K N 0.333 120.742 120.400 0.015 0.000 2.551 161 K HA 0.105 4.424 4.320 -0.000 0.000 0.192 161 K C -0.014 176.640 176.600 0.091 0.000 1.027 161 K CA 0.141 56.471 56.287 0.072 0.000 1.059 161 K CB 0.227 32.844 32.500 0.195 0.000 0.831 161 K HN 0.129 nan 8.250 nan 0.000 0.508 162 L N 3.067 124.335 121.223 0.075 0.000 2.272 162 L HA 0.280 4.620 4.340 -0.000 0.000 0.289 162 L C -2.080 174.843 176.870 0.088 0.000 1.032 162 L CA -2.296 52.620 54.840 0.127 0.000 0.810 162 L CB 1.249 43.372 42.059 0.106 0.000 1.205 162 L HN -0.071 nan 8.230 nan 0.000 0.422 163 P HA -0.024 nan 4.420 nan 0.000 0.266 163 P C 0.965 178.301 177.300 0.059 0.000 1.195 163 P CA -0.225 62.916 63.100 0.068 0.000 0.768 163 P CB 1.131 32.885 31.700 0.089 0.000 0.838 164 V N 2.373 122.303 119.914 0.026 0.000 2.660 164 V HA -0.254 3.866 4.120 -0.000 0.000 0.257 164 V C 2.596 178.695 176.094 0.008 0.000 1.088 164 V CA 2.604 64.910 62.300 0.010 0.000 1.106 164 V CB -2.251 29.572 31.823 0.001 0.000 0.686 164 V HN 0.715 nan 8.190 nan 0.000 0.481 165 T N -1.958 112.610 114.554 0.023 0.000 2.881 165 T HA -0.060 4.289 4.350 -0.000 0.000 0.270 165 T C 1.739 176.437 174.700 -0.003 0.000 1.068 165 T CA 1.473 63.583 62.100 0.016 0.000 1.131 165 T CB -0.227 68.662 68.868 0.036 0.000 0.871 165 T HN 0.452 nan 8.240 nan 0.000 0.479 166 I N -0.003 120.573 120.570 0.010 0.000 2.556 166 I HA 0.123 4.293 4.170 -0.000 0.000 0.251 166 I C 2.492 178.576 176.117 -0.055 0.000 1.105 166 I CA 0.336 61.609 61.300 -0.044 0.000 1.436 166 I CB -0.176 37.800 38.000 -0.041 0.000 1.139 166 I HN 0.168 nan 8.210 nan 0.000 0.438 167 L N 0.978 122.183 121.223 -0.030 0.000 2.021 167 L HA -0.275 4.065 4.340 -0.000 0.000 0.215 167 L C 2.742 179.575 176.870 -0.061 0.000 1.074 167 L CA 2.173 56.985 54.840 -0.046 0.000 0.760 167 L CB -0.720 41.321 42.059 -0.029 0.000 0.889 167 L HN 0.387 nan 8.230 nan 0.000 0.433 168 S N -0.766 114.907 115.700 -0.047 0.000 2.469 168 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 168 S C 1.812 176.380 174.600 -0.052 0.000 0.998 168 S CA 0.660 58.832 58.200 -0.047 0.000 0.957 168 S CB -0.316 62.864 63.200 -0.032 0.000 0.764 168 S HN 0.437 nan 8.310 nan 0.000 0.514 169 R N -0.395 120.067 120.500 -0.062 0.000 2.317 169 R HA 0.309 4.648 4.340 -0.000 0.000 0.208 169 R C -0.340 175.916 176.300 -0.073 0.000 0.914 169 R CA -0.039 56.023 56.100 -0.063 0.000 1.060 169 R CB 0.005 30.258 30.300 -0.078 0.000 1.015 169 R HN 0.388 nan 8.270 nan 0.000 0.498 170 C N 0.247 119.485 119.300 -0.104 0.000 2.667 170 C HA 0.386 4.846 4.460 -0.000 0.000 0.323 170 C C -0.304 174.555 174.990 -0.218 0.000 1.214 170 C CA -1.145 57.782 59.018 -0.151 0.000 1.721 170 C CB 1.538 29.186 27.740 -0.153 0.000 2.275 170 C HN 0.215 nan 8.230 nan 0.000 0.491 171 L N 2.857 123.874 121.223 -0.343 0.000 2.302 171 L HA 0.298 4.638 4.340 -0.000 0.000 0.285 171 L C 0.169 176.732 176.870 -0.512 0.000 1.090 171 L CA 0.672 55.217 54.840 -0.491 0.000 0.866 171 L CB -0.242 41.374 42.059 -0.738 0.000 1.244 171 L HN 0.696 nan 8.230 nan 0.000 0.435 172 Q N 3.819 123.338 119.800 -0.468 0.000 2.373 172 Q HA 0.396 4.736 4.340 -0.000 0.000 0.255 172 Q C -1.308 174.336 176.000 -0.595 0.000 0.980 172 Q CA 0.405 55.973 55.803 -0.391 0.000 0.882 172 Q CB 1.017 29.628 28.738 -0.210 0.000 1.249 172 Q HN 0.456 nan 8.270 nan 0.000 0.438 173 F N 0.643 120.579 119.950 -0.022 0.000 2.617 173 F HA 0.177 4.704 4.527 -0.000 0.000 0.325 173 F C -0.410 175.469 175.800 0.132 0.000 1.179 173 F CA -0.713 57.345 58.000 0.097 0.000 0.965 173 F CB 1.437 40.561 39.000 0.207 0.000 1.232 173 F HN 0.522 nan 8.300 nan 0.000 0.461 174 H N 5.387 124.625 119.070 0.280 0.000 2.640 174 H HA 0.433 4.989 4.556 -0.000 0.000 0.297 174 H C -0.757 174.663 175.328 0.153 0.000 1.073 174 H CA -0.227 55.924 56.048 0.173 0.000 1.305 174 H CB 0.944 30.765 29.762 0.098 0.000 1.404 174 H HN 0.547 nan 8.280 nan 0.000 0.459 175 L N 6.112 127.448 121.223 0.189 0.000 2.282 175 L HA 0.240 4.580 4.340 -0.000 0.000 0.287 175 L C 0.858 177.836 176.870 0.181 0.000 1.075 175 L CA -0.334 54.588 54.840 0.137 0.000 0.839 175 L CB 0.518 42.596 42.059 0.031 0.000 1.219 175 L HN 0.357 nan 8.230 nan 0.000 0.434 176 K N 1.830 122.333 120.400 0.172 0.000 2.319 176 K HA 0.429 4.749 4.320 -0.000 0.000 0.265 176 K C 0.409 177.048 176.600 0.064 0.000 1.000 176 K CA -0.377 55.985 56.287 0.125 0.000 0.943 176 K CB 1.110 33.653 32.500 0.070 0.000 0.950 176 K HN 0.658 nan 8.250 nan 0.000 0.485 177 A N 2.454 125.306 122.820 0.054 0.000 2.310 177 A HA 0.305 4.625 4.320 -0.000 0.000 0.260 177 A C -0.126 177.464 177.584 0.009 0.000 1.112 177 A CA -0.273 51.781 52.037 0.028 0.000 0.804 177 A CB 0.179 19.195 19.000 0.027 0.000 1.081 177 A HN 0.604 nan 8.150 nan 0.000 0.499 178 L N 0.119 121.341 121.223 -0.001 0.000 2.334 178 L HA 0.328 4.667 4.340 -0.000 0.000 0.275 178 L C 0.085 176.950 176.870 -0.010 0.000 1.036 178 L CA -0.705 54.129 54.840 -0.010 0.000 0.807 178 L CB 1.540 43.588 42.059 -0.017 0.000 1.231 178 L HN 0.941 nan 8.230 nan 0.000 0.438 179 D N 0.567 120.958 120.400 -0.014 0.000 2.357 179 D HA 0.128 4.767 4.640 -0.000 0.000 0.242 179 D C 0.842 177.136 176.300 -0.011 0.000 1.153 179 D CA -0.473 53.519 54.000 -0.013 0.000 0.918 179 D CB 1.442 42.231 40.800 -0.018 0.000 1.181 179 D HN 0.211 nan 8.370 nan 0.000 0.435 180 V N 1.824 121.733 119.914 -0.007 0.000 2.223 180 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 180 V C 1.887 177.981 176.094 -0.001 0.000 1.045 180 V CA 1.777 64.074 62.300 -0.005 0.000 1.000 180 V CB -0.797 31.025 31.823 -0.001 0.000 0.635 180 V HN 0.712 nan 8.190 nan 0.000 0.445 181 E N -0.575 119.627 120.200 0.004 0.000 2.461 181 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 181 E C 1.881 178.492 176.600 0.019 0.000 1.129 181 E CA 0.132 56.543 56.400 0.018 0.000 0.902 181 E CB 0.071 29.782 29.700 0.017 0.000 0.963 181 E HN 0.612 nan 8.360 nan 0.000 0.503 182 Q N -0.276 119.525 119.800 0.000 0.000 2.378 182 Q HA 0.089 4.429 4.340 -0.000 0.000 0.229 182 Q C 1.762 177.768 176.000 0.009 0.000 0.882 182 Q CA 0.067 55.863 55.803 -0.012 0.000 0.936 182 Q CB 0.573 29.291 28.738 -0.034 0.000 1.092 182 Q HN 0.287 nan 8.270 nan 0.000 0.535 183 I N 0.212 120.782 120.570 -0.000 0.000 2.731 183 I HA -0.098 4.071 4.170 -0.000 0.000 0.260 183 I C 2.551 178.656 176.117 -0.020 0.000 1.138 183 I CA 0.200 61.490 61.300 -0.017 0.000 1.461 183 I CB -0.177 37.807 38.000 -0.027 0.000 1.128 183 I HN 0.146 nan 8.210 nan 0.000 0.438 184 R N 0.961 121.459 120.500 -0.004 0.000 2.082 184 R HA -0.266 4.073 4.340 -0.000 0.000 0.234 184 R C 2.384 178.678 176.300 -0.011 0.000 1.136 184 R CA 1.936 58.027 56.100 -0.016 0.000 0.935 184 R CB -0.983 29.321 30.300 0.006 0.000 0.842 184 R HN 0.399 nan 8.270 nan 0.000 0.430 185 H N 0.188 119.226 119.070 -0.053 0.000 2.426 185 H HA -0.179 4.377 4.556 -0.000 0.000 0.298 185 H C 1.953 177.251 175.328 -0.050 0.000 1.107 185 H CA 2.314 58.335 56.048 -0.045 0.000 1.298 185 H CB 0.270 30.006 29.762 -0.043 0.000 1.377 185 H HN 0.313 nan 8.280 nan 0.000 0.519 186 Q N 0.692 120.512 119.800 0.034 0.000 2.049 186 Q HA -0.040 4.300 4.340 -0.000 0.000 0.198 186 Q C 2.725 178.658 176.000 -0.111 0.000 0.971 186 Q CA 1.226 57.016 55.803 -0.022 0.000 0.833 186 Q CB -0.403 28.317 28.738 -0.030 0.000 0.896 186 Q HN 0.493 nan 8.270 nan 0.000 0.434 187 L N 0.443 121.577 121.223 -0.149 0.000 2.079 187 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 187 L C 2.530 179.225 176.870 -0.293 0.000 1.081 187 L CA 1.795 56.497 54.840 -0.230 0.000 0.752 187 L CB -0.515 41.425 42.059 -0.197 0.000 0.896 187 L HN 0.461 nan 8.230 nan 0.000 0.433 188 E N -0.558 119.479 120.200 -0.271 0.000 2.047 188 E HA -0.279 4.070 4.350 -0.000 0.000 0.191 188 E C 2.238 178.704 176.600 -0.224 0.000 0.987 188 E CA 1.062 57.264 56.400 -0.329 0.000 0.799 188 E CB -0.099 29.465 29.700 -0.226 0.000 0.752 188 E HN 0.494 nan 8.360 nan 0.000 0.449 189 H N 0.762 119.662 119.070 -0.283 0.000 2.290 189 H HA -0.135 4.421 4.556 -0.000 0.000 0.298 189 H C 2.232 177.433 175.328 -0.211 0.000 1.087 189 H CA 1.980 57.898 56.048 -0.216 0.000 1.291 189 H CB -0.148 29.501 29.762 -0.189 0.000 1.369 189 H HN 0.239 nan 8.280 nan 0.000 0.492 190 I N 0.800 121.152 120.570 -0.364 0.000 2.208 190 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 190 I C 2.752 178.608 176.117 -0.434 0.000 1.097 190 I CA 0.916 61.808 61.300 -0.680 0.000 1.363 190 I CB -0.240 37.123 38.000 -1.062 0.000 1.051 190 I HN 0.251 nan 8.210 nan 0.000 0.413 191 L N 0.368 121.390 121.223 -0.336 0.000 2.141 191 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 191 L C 2.169 178.971 176.870 -0.112 0.000 1.094 191 L CA 1.017 55.737 54.840 -0.199 0.000 0.763 191 L CB -0.665 41.249 42.059 -0.241 0.000 0.908 191 L HN 0.334 nan 8.230 nan 0.000 0.437 192 N N 0.030 118.641 118.700 -0.149 0.000 2.244 192 N HA -0.156 4.583 4.740 -0.000 0.000 0.183 192 N C 1.607 176.956 175.510 -0.268 0.000 1.016 192 N CA 1.036 54.004 53.050 -0.137 0.000 0.866 192 N CB 0.011 38.430 38.487 -0.113 0.000 0.980 192 N HN 0.411 nan 8.380 nan 0.000 0.430 193 E N 0.179 120.225 120.200 -0.258 0.000 2.435 193 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 193 E C 0.599 177.143 176.600 -0.092 0.000 1.029 193 E CA 0.358 56.637 56.400 -0.202 0.000 0.865 193 E CB 0.290 29.936 29.700 -0.091 0.000 0.833 193 E HN 0.258 nan 8.360 nan 0.000 0.510 194 E N -0.205 119.981 120.200 -0.024 0.000 2.474 194 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 194 E C -0.399 176.278 176.600 0.128 0.000 1.039 194 E CA 0.063 56.522 56.400 0.098 0.000 0.881 194 E CB 0.287 30.070 29.700 0.139 0.000 0.970 194 E HN 0.248 nan 8.360 nan 0.000 0.486 195 H N -0.326 118.769 119.070 0.043 0.000 2.819 195 H HA -0.160 4.396 4.556 -0.000 0.000 0.315 195 H C -0.332 175.018 175.328 0.036 0.000 1.242 195 H CA 0.666 56.733 56.048 0.033 0.000 1.157 195 H CB -2.049 27.729 29.762 0.025 0.000 1.451 195 H HN 0.178 nan 8.280 nan 0.000 0.430 196 I N 0.104 120.744 120.570 0.117 0.000 2.406 196 I HA 0.500 4.670 4.170 -0.000 0.000 0.290 196 I C 1.043 177.234 176.117 0.123 0.000 0.999 196 I CA -0.580 60.780 61.300 0.099 0.000 1.124 196 I CB 1.850 39.891 38.000 0.068 0.000 1.289 196 I HN 0.291 nan 8.210 nan 0.000 0.441 197 A N 6.402 129.272 122.820 0.084 0.000 2.429 197 A HA 0.428 4.748 4.320 -0.000 0.000 0.242 197 A C -0.167 177.489 177.584 0.120 0.000 1.088 197 A CA 0.400 52.463 52.037 0.043 0.000 0.784 197 A CB 0.131 19.136 19.000 0.007 0.000 1.038 197 A HN 0.981 nan 8.150 nan 0.000 0.501 198 H N -1.458 117.602 119.070 -0.016 0.000 2.984 198 H HA 0.432 4.988 4.556 -0.000 0.000 0.298 198 H C -1.753 173.564 175.328 -0.020 0.000 1.378 198 H CA -0.721 55.313 56.048 -0.022 0.000 1.241 198 H CB 0.437 30.178 29.762 -0.035 0.000 1.894 198 H HN 0.602 nan 8.280 nan 0.000 0.511 199 E N 2.211 122.493 120.200 0.138 0.000 2.176 199 E HA 0.209 4.559 4.350 -0.000 0.000 0.267 199 E C -1.813 174.877 176.600 0.150 0.000 0.893 199 E CA -2.270 54.173 56.400 0.072 0.000 0.761 199 E CB 2.525 32.245 29.700 0.032 0.000 1.133 199 E HN 0.372 nan 8.360 nan 0.000 0.409 200 P HA -0.212 nan 4.420 nan 0.000 0.218 200 P C 1.036 178.370 177.300 0.057 0.000 1.146 200 P CA 1.124 64.293 63.100 0.116 0.000 0.813 200 P CB 0.308 32.058 31.700 0.084 0.000 0.778 201 R N -0.574 119.951 120.500 0.041 0.000 2.275 201 R HA 0.147 4.487 4.340 -0.000 0.000 0.199 201 R C 2.068 178.378 176.300 0.018 0.000 0.989 201 R CA 0.700 56.815 56.100 0.025 0.000 1.016 201 R CB -0.224 30.088 30.300 0.019 0.000 0.918 201 R HN 0.079 nan 8.270 nan 0.000 0.473 202 A N 0.526 123.360 122.820 0.024 0.000 1.935 202 A HA -0.018 4.301 4.320 -0.000 0.000 0.214 202 A C 1.966 179.545 177.584 -0.008 0.000 1.178 202 A CA 0.547 52.591 52.037 0.011 0.000 0.640 202 A CB -0.200 18.814 19.000 0.025 0.000 0.825 202 A HN 0.238 nan 8.150 nan 0.000 0.447 203 L N -0.892 120.324 121.223 -0.012 0.000 2.093 203 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 203 L C 2.824 179.672 176.870 -0.036 0.000 1.085 203 L CA 1.622 56.429 54.840 -0.054 0.000 0.755 203 L CB -0.388 41.613 42.059 -0.096 0.000 0.904 203 L HN 0.471 nan 8.230 nan 0.000 0.435 204 Q N 0.585 120.378 119.800 -0.013 0.000 2.084 204 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 204 Q C 2.169 178.163 176.000 -0.009 0.000 0.978 204 Q CA 1.739 57.539 55.803 -0.006 0.000 0.844 204 Q CB -0.295 28.448 28.738 0.008 0.000 0.898 204 Q HN 0.441 nan 8.270 nan 0.000 0.426 205 L N -0.466 120.751 121.223 -0.009 0.000 2.083 205 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 205 L C 2.287 179.145 176.870 -0.020 0.000 1.083 205 L CA 0.958 55.791 54.840 -0.012 0.000 0.752 205 L CB -0.375 41.677 42.059 -0.012 0.000 0.899 205 L HN 0.296 nan 8.230 nan 0.000 0.433 206 L N -0.758 120.448 121.223 -0.029 0.000 2.156 206 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 206 L C 2.733 179.580 176.870 -0.038 0.000 1.095 206 L CA 0.857 55.674 54.840 -0.038 0.000 0.770 206 L CB -0.466 41.561 42.059 -0.053 0.000 0.914 206 L HN 0.200 nan 8.230 nan 0.000 0.439 207 A N -0.229 122.569 122.820 -0.035 0.000 2.014 207 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 207 A C 2.353 179.925 177.584 -0.020 0.000 1.163 207 A CA 1.109 53.128 52.037 -0.031 0.000 0.652 207 A CB -0.270 18.715 19.000 -0.025 0.000 0.808 207 A HN 0.313 nan 8.150 nan 0.000 0.449 208 R N -0.848 119.643 120.500 -0.016 0.000 2.090 208 R HA 0.145 4.484 4.340 -0.000 0.000 0.219 208 R C 2.545 178.838 176.300 -0.012 0.000 1.100 208 R CA 0.820 56.913 56.100 -0.011 0.000 0.991 208 R CB -0.416 29.881 30.300 -0.007 0.000 0.893 208 R HN 0.450 nan 8.270 nan 0.000 0.443 209 A N 2.014 124.824 122.820 -0.016 0.000 1.881 209 A HA -0.160 4.159 4.320 -0.000 0.000 0.219 209 A C 1.295 178.870 177.584 -0.015 0.000 1.215 209 A CA 1.850 53.877 52.037 -0.017 0.000 0.648 209 A CB -0.782 18.206 19.000 -0.021 0.000 0.832 209 A HN 0.403 nan 8.150 nan 0.000 0.455 210 A N -0.373 122.437 122.820 -0.018 0.000 2.363 210 A HA 0.489 4.808 4.320 -0.000 0.000 0.270 210 A C 0.049 177.626 177.584 -0.011 0.000 1.121 210 A CA -0.191 51.837 52.037 -0.015 0.000 0.800 210 A CB 0.135 19.122 19.000 -0.021 0.000 1.052 210 A HN 0.481 nan 8.150 nan 0.000 0.493 211 E N 1.997 122.193 120.200 -0.006 0.000 1.993 211 E HA 0.427 4.777 4.350 -0.000 0.000 0.271 211 E C 0.957 177.556 176.600 -0.002 0.000 1.008 211 E CA 0.395 56.794 56.400 -0.003 0.000 0.814 211 E CB -0.050 29.651 29.700 0.001 0.000 1.098 211 E HN 1.270 nan 8.360 nan 0.000 0.407 212 G N 3.665 112.462 108.800 -0.005 0.000 2.203 212 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 212 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 212 G C 0.066 174.962 174.900 -0.007 0.000 1.012 212 G CA 0.722 45.819 45.100 -0.005 0.000 0.749 212 G HN 0.621 nan 8.290 nan 0.000 0.512 213 S N -0.976 114.717 115.700 -0.010 0.000 2.406 213 S HA 0.554 5.023 4.470 -0.000 0.000 0.224 213 S C 1.049 175.638 174.600 -0.018 0.000 1.426 213 S CA -0.151 58.042 58.200 -0.011 0.000 1.179 213 S CB 1.585 64.781 63.200 -0.006 0.000 1.042 213 S HN 0.622 nan 8.310 nan 0.000 0.479 214 L N 3.167 124.377 121.223 -0.023 0.000 2.129 214 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 214 L C 2.456 179.311 176.870 -0.025 0.000 1.087 214 L CA 1.737 56.559 54.840 -0.030 0.000 0.757 214 L CB -0.542 41.499 42.059 -0.029 0.000 0.896 214 L HN 0.633 nan 8.230 nan 0.000 0.434 215 R N -0.481 120.010 120.500 -0.014 0.000 2.103 215 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 215 R C 1.947 178.240 176.300 -0.012 0.000 1.132 215 R CA 1.818 57.914 56.100 -0.006 0.000 0.925 215 R CB -0.915 29.384 30.300 -0.001 0.000 0.842 215 R HN 0.405 nan 8.270 nan 0.000 0.430 216 D N 0.615 121.007 120.400 -0.012 0.000 2.182 216 D HA -0.164 4.476 4.640 -0.000 0.000 0.201 216 D C 1.844 178.129 176.300 -0.025 0.000 0.986 216 D CA 1.501 55.493 54.000 -0.014 0.000 0.847 216 D CB -0.228 40.566 40.800 -0.010 0.000 0.942 216 D HN 0.343 nan 8.370 nan 0.000 0.467 217 A N 0.966 123.765 122.820 -0.034 0.000 1.877 217 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 217 A C 2.439 179.984 177.584 -0.065 0.000 1.186 217 A CA 0.977 52.984 52.037 -0.051 0.000 0.620 217 A CB -0.776 18.188 19.000 -0.060 0.000 0.822 217 A HN 0.181 nan 8.150 nan 0.000 0.443 218 L N -0.740 120.443 121.223 -0.067 0.000 1.994 218 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 218 L C 2.878 179.722 176.870 -0.043 0.000 1.071 218 L CA 1.539 56.333 54.840 -0.076 0.000 0.745 218 L CB -0.730 41.292 42.059 -0.061 0.000 0.892 218 L HN 0.304 nan 8.230 nan 0.000 0.431 219 S N 0.139 115.826 115.700 -0.022 0.000 2.380 219 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 219 S C 1.984 176.574 174.600 -0.016 0.000 1.043 219 S CA 1.447 59.641 58.200 -0.010 0.000 1.038 219 S CB -0.399 62.798 63.200 -0.004 0.000 0.872 219 S HN 0.276 nan 8.310 nan 0.000 0.456 220 L N 0.585 121.793 121.223 -0.025 0.000 2.093 220 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 220 L C 2.494 179.343 176.870 -0.034 0.000 1.085 220 L CA 1.141 55.965 54.840 -0.027 0.000 0.755 220 L CB -0.877 41.163 42.059 -0.031 0.000 0.904 220 L HN 0.305 nan 8.230 nan 0.000 0.435 221 T N -1.304 113.221 114.554 -0.049 0.000 2.995 221 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 221 T C 1.315 175.992 174.700 -0.039 0.000 1.091 221 T CA 0.857 62.922 62.100 -0.059 0.000 1.128 221 T CB -0.113 68.694 68.868 -0.101 0.000 0.891 221 T HN 0.297 nan 8.240 nan 0.000 0.492 222 D N 1.203 121.589 120.400 -0.024 0.000 2.194 222 D HA -0.014 4.625 4.640 -0.000 0.000 0.204 222 D C 2.277 178.578 176.300 0.000 0.000 0.964 222 D CA 0.731 54.728 54.000 -0.004 0.000 0.846 222 D CB -0.068 40.738 40.800 0.010 0.000 0.962 222 D HN 0.432 nan 8.370 nan 0.000 0.490 223 Q N 0.577 120.374 119.800 -0.005 0.000 2.020 223 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 223 Q C 2.270 178.267 176.000 -0.005 0.000 0.982 223 Q CA 1.280 57.081 55.803 -0.003 0.000 0.838 223 Q CB -0.117 28.616 28.738 -0.007 0.000 0.899 223 Q HN 0.173 nan 8.270 nan 0.000 0.423 224 A N 0.810 123.623 122.820 -0.012 0.000 1.948 224 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 224 A C 1.981 179.562 177.584 -0.005 0.000 1.177 224 A CA 1.296 53.326 52.037 -0.011 0.000 0.636 224 A CB -0.637 18.351 19.000 -0.020 0.000 0.815 224 A HN 0.321 nan 8.150 nan 0.000 0.449 225 I N -0.694 119.875 120.570 -0.002 0.000 2.193 225 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 225 I C 2.983 179.106 176.117 0.010 0.000 1.084 225 I CA 0.944 62.248 61.300 0.007 0.000 1.365 225 I CB -0.374 37.632 38.000 0.011 0.000 1.064 225 I HN 0.334 nan 8.210 nan 0.000 0.410 226 A N 0.525 123.351 122.820 0.010 0.000 1.948 226 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 226 A C 2.385 179.973 177.584 0.007 0.000 1.177 226 A CA 2.398 54.442 52.037 0.011 0.000 0.636 226 A CB -0.765 18.242 19.000 0.012 0.000 0.815 226 A HN 0.545 nan 8.150 nan 0.000 0.449 227 S N -1.838 113.864 115.700 0.003 0.000 2.548 227 S HA 0.290 4.759 4.470 -0.000 0.000 0.215 227 S C 1.386 175.986 174.600 0.000 0.000 0.976 227 S CA 0.725 58.925 58.200 0.000 0.000 0.908 227 S CB 0.025 63.223 63.200 -0.004 0.000 0.781 227 S HN 0.666 nan 8.310 nan 0.000 0.519 228 G N 0.403 109.205 108.800 0.002 0.000 3.453 228 G HA2 0.255 4.215 3.960 -0.000 0.000 0.263 228 G HA3 0.255 4.215 3.960 -0.000 0.000 0.263 228 G C -0.270 174.634 174.900 0.006 0.000 1.060 228 G CA -0.236 44.866 45.100 0.003 0.000 0.793 228 G HN 0.357 nan 8.290 nan 0.000 0.532 229 D N 0.034 120.438 120.400 0.007 0.000 3.003 229 D HA -0.109 4.531 4.640 -0.000 0.000 0.223 229 D C 1.606 177.912 176.300 0.012 0.000 1.204 229 D CA 1.791 55.796 54.000 0.008 0.000 0.828 229 D CB -1.198 39.605 40.800 0.005 0.000 0.918 229 D HN 0.944 nan 8.370 nan 0.000 0.401 230 G N 1.234 110.044 108.800 0.016 0.000 2.225 230 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 230 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 230 G C 0.271 175.186 174.900 0.026 0.000 0.988 230 G CA 0.546 45.660 45.100 0.022 0.000 0.625 230 G HN 0.588 nan 8.290 nan 0.000 0.527 231 Q N -0.383 119.430 119.800 0.022 0.000 2.353 231 Q HA 0.584 4.923 4.340 -0.000 0.000 0.268 231 Q C -0.400 175.616 176.000 0.027 0.000 1.045 231 Q CA -0.816 55.004 55.803 0.027 0.000 0.811 231 Q CB 2.927 31.677 28.738 0.019 0.000 1.305 231 Q HN 0.146 nan 8.270 nan 0.000 0.447 232 V N 2.666 122.606 119.914 0.043 0.000 2.162 232 V HA 0.118 4.237 4.120 -0.000 0.000 0.255 232 V C 0.011 176.132 176.094 0.046 0.000 1.304 232 V CA -0.244 62.076 62.300 0.033 0.000 1.198 232 V CB -0.432 31.406 31.823 0.024 0.000 1.333 232 V HN 0.735 nan 8.190 nan 0.000 0.493 233 S N 1.498 117.213 115.700 0.025 0.000 2.578 233 S HA 0.294 4.763 4.470 -0.000 0.000 0.283 233 S C 1.245 175.851 174.600 0.011 0.000 1.195 233 S CA -0.257 57.956 58.200 0.020 0.000 1.050 233 S CB 1.602 64.808 63.200 0.010 0.000 1.012 233 S HN 0.500 nan 8.310 nan 0.000 0.511 234 T N 1.999 116.559 114.554 0.011 0.000 2.737 234 T HA -0.183 4.166 4.350 -0.000 0.000 0.269 234 T C 1.590 176.288 174.700 -0.004 0.000 1.040 234 T CA 1.770 63.872 62.100 0.004 0.000 1.142 234 T CB -0.428 68.442 68.868 0.004 0.000 0.861 234 T HN 0.739 nan 8.240 nan 0.000 0.456 235 Q N -0.051 119.747 119.800 -0.004 0.000 2.488 235 Q HA 0.206 4.545 4.340 -0.000 0.000 0.211 235 Q C 2.316 178.310 176.000 -0.010 0.000 0.967 235 Q CA 0.755 56.553 55.803 -0.008 0.000 0.926 235 Q CB -0.058 28.676 28.738 -0.007 0.000 0.992 235 Q HN 0.601 nan 8.270 nan 0.000 0.506 236 A N -0.483 122.332 122.820 -0.007 0.000 1.993 236 A HA 0.058 4.378 4.320 -0.000 0.000 0.207 236 A C 2.061 179.637 177.584 -0.012 0.000 1.224 236 A CA 0.119 52.151 52.037 -0.008 0.000 0.749 236 A CB 0.073 19.071 19.000 -0.003 0.000 0.884 236 A HN 0.131 nan 8.150 nan 0.000 0.467 237 V N 1.106 121.013 119.914 -0.012 0.000 2.255 237 V HA -0.195 3.924 4.120 -0.000 0.000 0.243 237 V C 2.940 179.021 176.094 -0.022 0.000 1.038 237 V CA 2.351 64.641 62.300 -0.016 0.000 1.008 237 V CB -0.846 30.969 31.823 -0.014 0.000 0.645 237 V HN 0.758 nan 8.190 nan 0.000 0.449 238 S N 1.264 116.951 115.700 -0.021 0.000 2.441 238 S HA -0.236 4.233 4.470 -0.000 0.000 0.242 238 S C 1.864 176.441 174.600 -0.039 0.000 1.018 238 S CA 1.665 59.848 58.200 -0.028 0.000 0.988 238 S CB -0.550 62.636 63.200 -0.025 0.000 0.778 238 S HN 0.612 nan 8.310 nan 0.000 0.498 239 A N 0.981 123.780 122.820 -0.035 0.000 1.984 239 A HA 0.390 4.709 4.320 -0.000 0.000 0.214 239 A C 2.245 179.804 177.584 -0.042 0.000 1.173 239 A CA 0.711 52.724 52.037 -0.041 0.000 0.673 239 A CB -0.481 18.499 19.000 -0.033 0.000 0.830 239 A HN 0.508 nan 8.150 nan 0.000 0.453 240 M N -0.198 119.382 119.600 -0.033 0.000 2.067 240 M HA -0.093 4.386 4.480 -0.000 0.000 0.260 240 M C 1.824 178.101 176.300 -0.038 0.000 1.069 240 M CA 1.563 56.845 55.300 -0.030 0.000 1.117 240 M CB -0.450 32.136 32.600 -0.024 0.000 1.334 240 M HN 0.400 nan 8.290 nan 0.000 0.407 241 L N -0.827 120.372 121.223 -0.039 0.000 2.456 241 L HA 0.019 4.358 4.340 -0.000 0.000 0.224 241 L C 1.536 178.367 176.870 -0.065 0.000 1.148 241 L CA 0.581 55.395 54.840 -0.044 0.000 0.825 241 L CB -1.049 40.988 42.059 -0.037 0.000 0.937 241 L HN 0.661 nan 8.230 nan 0.000 0.450 242 G N 0.069 108.823 108.800 -0.076 0.000 2.168 242 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.263 242 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.263 242 G C 0.307 175.130 174.900 -0.127 0.000 0.977 242 G CA 0.501 45.532 45.100 -0.115 0.000 0.659 242 G HN 0.341 nan 8.290 nan 0.000 0.533 243 T N 1.890 116.393 114.554 -0.086 0.000 2.817 243 T HA 0.562 4.912 4.350 -0.000 0.000 0.293 243 T C 1.006 175.671 174.700 -0.059 0.000 0.964 243 T CA -0.538 61.520 62.100 -0.071 0.000 1.085 243 T CB 1.476 70.318 68.868 -0.044 0.000 0.921 243 T HN 0.359 nan 8.240 nan 0.000 0.502 244 L N 2.784 123.972 121.223 -0.058 0.000 2.514 244 L HA 0.108 4.447 4.340 -0.000 0.000 0.280 244 L C 0.696 177.552 176.870 -0.024 0.000 1.223 244 L CA -0.423 54.391 54.840 -0.043 0.000 0.864 244 L CB 0.084 42.123 42.059 -0.034 0.000 1.118 244 L HN 0.571 nan 8.230 nan 0.000 0.494 245 D N 1.328 121.715 120.400 -0.020 0.000 2.443 245 D HA -0.041 4.599 4.640 -0.000 0.000 0.239 245 D C 0.737 177.034 176.300 -0.005 0.000 1.136 245 D CA -0.000 53.993 54.000 -0.011 0.000 0.879 245 D CB 0.708 41.502 40.800 -0.010 0.000 1.195 245 D HN 0.401 nan 8.370 nan 0.000 0.443 246 D N 0.867 121.267 120.400 0.001 0.000 2.411 246 D HA -0.147 4.493 4.640 -0.000 0.000 0.226 246 D C 1.129 177.431 176.300 0.004 0.000 0.988 246 D CA 0.709 54.712 54.000 0.005 0.000 0.938 246 D CB 0.241 41.046 40.800 0.009 0.000 0.883 246 D HN 0.404 nan 8.370 nan 0.000 0.525 247 D N -0.334 120.067 120.400 0.001 0.000 2.323 247 D HA -0.029 4.611 4.640 -0.000 0.000 0.218 247 D C 1.784 178.085 176.300 0.002 0.000 0.973 247 D CA 0.608 54.608 54.000 0.001 0.000 0.890 247 D CB 0.269 41.069 40.800 0.000 0.000 1.011 247 D HN 0.096 nan 8.370 nan 0.000 0.499 248 Q N 0.272 120.071 119.800 -0.001 0.000 2.050 248 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 248 Q C 2.230 178.233 176.000 0.005 0.000 0.980 248 Q CA 1.689 57.492 55.803 -0.000 0.000 0.840 248 Q CB -0.194 28.538 28.738 -0.009 0.000 0.898 248 Q HN 0.290 nan 8.270 nan 0.000 0.424 249 A N 0.873 123.696 122.820 0.005 0.000 1.898 249 A HA -0.142 4.177 4.320 -0.000 0.000 0.216 249 A C 2.063 179.655 177.584 0.013 0.000 1.181 249 A CA 1.036 53.080 52.037 0.012 0.000 0.620 249 A CB -0.557 18.451 19.000 0.013 0.000 0.819 249 A HN 0.328 nan 8.150 nan 0.000 0.442 250 L N 0.679 121.907 121.223 0.009 0.000 2.131 250 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 250 L C 2.481 179.351 176.870 0.001 0.000 1.092 250 L CA 2.570 57.412 54.840 0.004 0.000 0.759 250 L CB -0.512 41.548 42.059 0.003 0.000 0.903 250 L HN 0.390 nan 8.230 nan 0.000 0.435 251 S N -0.908 114.795 115.700 0.004 0.000 2.387 251 S HA -0.119 4.350 4.470 -0.000 0.000 0.226 251 S C 2.013 176.618 174.600 0.008 0.000 1.026 251 S CA 1.161 59.364 58.200 0.005 0.000 0.972 251 S CB -0.642 62.563 63.200 0.008 0.000 0.814 251 S HN 0.441 nan 8.310 nan 0.000 0.477 252 L N 1.396 122.627 121.223 0.015 0.000 2.012 252 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 252 L C 2.494 179.369 176.870 0.008 0.000 1.073 252 L CA 1.148 56.002 54.840 0.024 0.000 0.748 252 L CB -0.668 41.413 42.059 0.037 0.000 0.891 252 L HN 0.222 nan 8.230 nan 0.000 0.431 253 V N -0.340 119.569 119.914 -0.007 0.000 2.392 253 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 253 V C 2.265 178.314 176.094 -0.075 0.000 1.059 253 V CA 1.898 64.170 62.300 -0.047 0.000 1.051 253 V CB -0.529 31.271 31.823 -0.039 0.000 0.658 253 V HN 0.481 nan 8.190 nan 0.000 0.455 254 E N 0.202 120.378 120.200 -0.039 0.000 2.072 254 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 254 E C 2.365 178.957 176.600 -0.012 0.000 0.982 254 E CA 1.082 57.463 56.400 -0.032 0.000 0.803 254 E CB -0.365 29.327 29.700 -0.014 0.000 0.755 254 E HN 0.586 nan 8.360 nan 0.000 0.453 255 A N 1.643 124.464 122.820 0.001 0.000 1.873 255 A HA -0.264 4.055 4.320 -0.000 0.000 0.218 255 A C 2.188 179.792 177.584 0.033 0.000 1.193 255 A CA 1.690 53.738 52.037 0.018 0.000 0.629 255 A CB -0.616 18.399 19.000 0.025 0.000 0.826 255 A HN 0.243 nan 8.150 nan 0.000 0.447 256 M N -0.269 119.349 119.600 0.031 0.000 2.082 256 M HA -0.163 4.317 4.480 -0.000 0.000 0.258 256 M C 1.924 178.305 176.300 0.134 0.000 1.069 256 M CA 2.091 57.438 55.300 0.077 0.000 1.102 256 M CB -0.237 32.379 32.600 0.026 0.000 1.336 256 M HN 0.256 nan 8.290 nan 0.000 0.404 257 V N 0.180 120.083 119.914 -0.018 0.000 2.667 257 V HA -0.202 3.918 4.120 -0.000 0.000 0.252 257 V C 1.620 177.886 176.094 0.286 0.000 1.065 257 V CA 1.690 64.028 62.300 0.063 0.000 1.083 257 V CB -0.773 30.956 31.823 -0.156 0.000 0.692 257 V HN 0.519 nan 8.190 nan 0.000 0.468 258 E N 0.252 120.523 120.200 0.117 0.000 2.435 258 E HA 0.314 4.664 4.350 -0.000 0.000 0.195 258 E C 1.303 177.879 176.600 -0.040 0.000 1.029 258 E CA 0.567 56.999 56.400 0.052 0.000 0.865 258 E CB -0.017 29.695 29.700 0.020 0.000 0.833 258 E HN 0.498 nan 8.360 nan 0.000 0.510 259 A N 2.336 125.141 122.820 -0.025 0.000 2.872 259 A HA -0.195 4.125 4.320 -0.000 0.000 0.273 259 A C -0.164 177.375 177.584 -0.074 0.000 1.442 259 A CA 0.755 52.706 52.037 -0.142 0.000 0.801 259 A CB -2.568 16.071 19.000 -0.602 0.000 1.031 259 A HN 0.463 nan 8.150 nan 0.000 0.582 260 N N 0.226 118.913 118.700 -0.022 0.000 2.457 260 N HA 0.491 5.231 4.740 -0.000 0.000 0.250 260 N C 1.025 176.538 175.510 0.005 0.000 0.982 260 N CA -0.045 52.997 53.050 -0.014 0.000 0.941 260 N CB 0.901 39.382 38.487 -0.009 0.000 1.120 260 N HN 0.447 nan 8.380 nan 0.000 0.505 261 G N 1.924 110.726 108.800 0.004 0.000 2.421 261 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 261 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 261 G C 0.970 175.880 174.900 0.017 0.000 1.171 261 G CA 0.600 45.709 45.100 0.016 0.000 0.775 261 G HN 0.712 nan 8.290 nan 0.000 0.543 262 E N 0.137 120.343 120.200 0.011 0.000 2.049 262 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 262 E C 2.495 179.106 176.600 0.019 0.000 1.007 262 E CA 1.171 57.579 56.400 0.013 0.000 0.809 262 E CB -0.188 29.517 29.700 0.008 0.000 0.749 262 E HN 0.402 nan 8.360 nan 0.000 0.450 263 R N 0.013 120.523 120.500 0.017 0.000 2.103 263 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 263 R C 2.320 178.638 176.300 0.030 0.000 1.142 263 R CA 1.676 57.788 56.100 0.021 0.000 0.960 263 R CB -0.208 30.102 30.300 0.016 0.000 0.858 263 R HN 0.133 nan 8.270 nan 0.000 0.439 264 V N 0.895 120.830 119.914 0.035 0.000 2.237 264 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 264 V C 2.446 178.572 176.094 0.054 0.000 1.046 264 V CA 1.767 64.095 62.300 0.047 0.000 1.007 264 V CB -0.396 31.459 31.823 0.053 0.000 0.638 264 V HN 0.344 nan 8.190 nan 0.000 0.445 265 M N 0.059 119.686 119.600 0.045 0.000 2.202 265 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 265 M C 2.308 178.639 176.300 0.052 0.000 1.063 265 M CA 1.990 57.317 55.300 0.045 0.000 1.097 265 M CB -1.790 30.826 32.600 0.028 0.000 1.382 265 M HN 0.415 nan 8.290 nan 0.000 0.413 266 A N 0.184 123.030 122.820 0.043 0.000 1.898 266 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 266 A C 2.341 179.956 177.584 0.052 0.000 1.181 266 A CA 1.203 53.265 52.037 0.042 0.000 0.620 266 A CB -0.827 18.191 19.000 0.030 0.000 0.819 266 A HN 0.475 nan 8.150 nan 0.000 0.442 267 L N -0.513 120.742 121.223 0.053 0.000 2.093 267 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 267 L C 2.376 179.297 176.870 0.085 0.000 1.085 267 L CA 0.969 55.842 54.840 0.056 0.000 0.755 267 L CB -0.483 41.605 42.059 0.048 0.000 0.904 267 L HN 0.375 nan 8.230 nan 0.000 0.435 268 I N -0.271 120.369 120.570 0.118 0.000 2.315 268 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 268 I C 2.429 178.689 176.117 0.239 0.000 1.117 268 I CA 0.957 62.382 61.300 0.208 0.000 1.404 268 I CB -0.431 37.688 38.000 0.197 0.000 1.071 268 I HN 0.374 nan 8.210 nan 0.000 0.419 269 N N 1.381 120.170 118.700 0.149 0.000 2.109 269 N HA -0.238 4.501 4.740 -0.000 0.000 0.188 269 N C 1.825 177.400 175.510 0.109 0.000 1.034 269 N CA 1.581 54.710 53.050 0.132 0.000 0.846 269 N CB -0.080 38.454 38.487 0.079 0.000 1.010 269 N HN 0.365 nan 8.380 nan 0.000 0.425 270 E N -0.162 120.083 120.200 0.075 0.000 2.209 270 E HA -0.130 4.219 4.350 -0.000 0.000 0.196 270 E C 1.583 178.203 176.600 0.034 0.000 0.993 270 E CA 1.071 57.499 56.400 0.046 0.000 0.819 270 E CB -0.062 29.658 29.700 0.033 0.000 0.745 270 E HN 0.436 nan 8.360 nan 0.000 0.477 271 A N 0.866 123.714 122.820 0.045 0.000 1.930 271 A HA 0.114 4.434 4.320 -0.000 0.000 0.215 271 A C 2.364 179.911 177.584 -0.061 0.000 1.176 271 A CA 1.140 53.167 52.037 -0.018 0.000 0.632 271 A CB -0.513 18.474 19.000 -0.022 0.000 0.819 271 A HN 0.378 nan 8.150 nan 0.000 0.445 272 A N 0.161 123.023 122.820 0.071 0.000 1.978 272 A HA 0.129 4.449 4.320 -0.000 0.000 0.220 272 A C 2.430 180.045 177.584 0.052 0.000 1.170 272 A CA 1.967 54.081 52.037 0.128 0.000 0.636 272 A CB -0.911 18.333 19.000 0.406 0.000 0.810 272 A HN 1.037 nan 8.150 nan 0.000 0.448 273 A N 0.798 123.645 122.820 0.045 0.000 1.940 273 A HA -0.185 4.134 4.320 -0.000 0.000 0.219 273 A C 2.021 179.601 177.584 -0.006 0.000 1.176 273 A CA 1.510 53.562 52.037 0.025 0.000 0.631 273 A CB -0.458 18.557 19.000 0.025 0.000 0.814 273 A HN 0.700 nan 8.150 nan 0.000 0.446 274 R N -0.662 119.818 120.500 -0.034 0.000 2.449 274 R HA 0.356 4.696 4.340 -0.000 0.000 0.262 274 R C 0.731 176.980 176.300 -0.084 0.000 1.006 274 R CA 0.311 56.381 56.100 -0.050 0.000 1.104 274 R CB -0.941 29.329 30.300 -0.050 0.000 1.206 274 R HN 0.645 nan 8.270 nan 0.000 0.538 275 G N 2.516 111.261 108.800 -0.093 0.000 2.363 275 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.286 275 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.286 275 G C 0.115 174.878 174.900 -0.228 0.000 0.975 275 G CA 0.109 45.133 45.100 -0.127 0.000 1.309 275 G HN 0.418 nan 8.290 nan 0.000 0.491 276 I N -0.642 119.674 120.570 -0.424 0.000 3.378 276 I HA 0.336 4.505 4.170 -0.000 0.000 0.284 276 I C 0.659 176.448 176.117 -0.548 0.000 1.157 276 I CA -0.329 60.650 61.300 -0.535 0.000 1.193 276 I CB 0.437 37.918 38.000 -0.865 0.000 1.461 276 I HN 0.065 nan 8.210 nan 0.000 0.674 277 E N 1.390 121.334 120.200 -0.427 0.000 2.183 277 E HA 0.100 4.450 4.350 -0.000 0.000 0.250 277 E C -0.026 176.446 176.600 -0.212 0.000 0.901 277 E CA -0.312 55.941 56.400 -0.244 0.000 0.741 277 E CB 0.848 30.479 29.700 -0.116 0.000 1.182 277 E HN 0.513 nan 8.360 nan 0.000 0.425 278 W N 1.653 122.953 121.300 0.000 0.000 2.296 278 W HA -0.257 4.403 4.660 -0.001 0.000 0.296 278 W C 2.082 178.601 176.519 0.000 0.000 1.220 278 W CA 1.283 58.629 57.345 0.001 0.000 1.223 278 W CB 0.012 29.473 29.460 0.002 0.000 1.139 278 W HN 0.566 nan 8.180 nan 0.000 0.534 279 E N 0.577 120.879 120.200 0.170 0.000 2.051 279 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 279 E C 2.288 178.925 176.600 0.060 0.000 0.991 279 E CA 1.889 58.349 56.400 0.101 0.000 0.799 279 E CB -0.489 29.247 29.700 0.061 0.000 0.748 279 E HN 0.113 nan 8.360 nan 0.000 0.449 280 A N 0.894 123.727 122.820 0.021 0.000 1.940 280 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 280 A C 2.281 179.867 177.584 0.004 0.000 1.176 280 A CA 1.464 53.498 52.037 -0.004 0.000 0.631 280 A CB -0.869 18.107 19.000 -0.041 0.000 0.814 280 A HN 0.450 nan 8.150 nan 0.000 0.446 281 L N -0.898 120.330 121.223 0.009 0.000 2.191 281 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 281 L C 2.271 179.179 176.870 0.064 0.000 1.103 281 L CA 1.002 55.861 54.840 0.032 0.000 0.769 281 L CB -0.127 41.971 42.059 0.065 0.000 0.908 281 L HN 0.435 nan 8.230 nan 0.000 0.438 282 L N -2.067 119.199 121.223 0.072 0.000 2.068 282 L HA -0.134 4.206 4.340 -0.000 0.000 0.204 282 L C 2.373 179.262 176.870 0.032 0.000 1.076 282 L CA 0.537 55.411 54.840 0.056 0.000 0.753 282 L CB -0.345 41.746 42.059 0.053 0.000 0.910 282 L HN 0.014 nan 8.230 nan 0.000 0.439 283 V N -0.187 119.743 119.914 0.027 0.000 2.233 283 V HA -0.277 3.842 4.120 -0.000 0.000 0.247 283 V C 2.520 178.638 176.094 0.039 0.000 1.050 283 V CA 1.751 64.065 62.300 0.023 0.000 1.010 283 V CB -0.526 31.307 31.823 0.016 0.000 0.637 283 V HN 0.435 nan 8.190 nan 0.000 0.444 284 E N -0.555 119.665 120.200 0.033 0.000 2.160 284 E HA -0.202 4.147 4.350 -0.000 0.000 0.195 284 E C 2.116 178.750 176.600 0.056 0.000 0.991 284 E CA 1.331 57.754 56.400 0.039 0.000 0.810 284 E CB -0.326 29.387 29.700 0.022 0.000 0.742 284 E HN 0.564 nan 8.360 nan 0.000 0.466 285 M N -0.116 119.518 119.600 0.057 0.000 2.200 285 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 285 M C 2.318 178.683 176.300 0.109 0.000 1.066 285 M CA 0.853 56.194 55.300 0.068 0.000 1.127 285 M CB -0.161 32.475 32.600 0.060 0.000 1.379 285 M HN 0.074 nan 8.290 nan 0.000 0.420 286 L N -0.599 120.691 121.223 0.111 0.000 1.976 286 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 286 L C 2.681 179.740 176.870 0.316 0.000 1.071 286 L CA 1.575 56.540 54.840 0.208 0.000 0.746 286 L CB -1.319 40.783 42.059 0.071 0.000 0.890 286 L HN 0.366 nan 8.230 nan 0.000 0.432 287 G N -0.184 108.736 108.800 0.200 0.000 2.442 287 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 287 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 287 G C 1.655 176.673 174.900 0.197 0.000 1.141 287 G CA 0.668 45.883 45.100 0.192 0.000 0.763 287 G HN 0.217 nan 8.290 nan 0.000 0.554 288 L N -0.266 121.039 121.223 0.136 0.000 2.046 288 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 288 L C 2.896 179.824 176.870 0.095 0.000 1.077 288 L CA 0.595 55.490 54.840 0.093 0.000 0.747 288 L CB -0.279 41.816 42.059 0.060 0.000 0.896 288 L HN 0.201 nan 8.230 nan 0.000 0.432 289 L N -1.156 120.154 121.223 0.144 0.000 2.141 289 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 289 L C 2.606 179.533 176.870 0.094 0.000 1.094 289 L CA 1.054 55.977 54.840 0.138 0.000 0.763 289 L CB -0.579 41.630 42.059 0.249 0.000 0.908 289 L HN 0.361 nan 8.230 nan 0.000 0.437 290 H N 0.268 119.345 119.070 0.011 0.000 2.293 290 H HA -0.138 4.418 4.556 -0.001 0.000 0.300 290 H C 2.427 177.720 175.328 -0.058 0.000 1.082 290 H CA 1.709 57.695 56.048 -0.103 0.000 1.308 290 H CB 0.060 29.781 29.762 -0.068 0.000 1.375 290 H HN 0.020 nan 8.280 nan 0.000 0.495 291 R N -0.164 120.270 120.500 -0.109 0.000 2.105 291 R HA -0.091 4.249 4.340 -0.000 0.000 0.239 291 R C 2.443 178.655 176.300 -0.146 0.000 1.135 291 R CA 1.648 57.639 56.100 -0.182 0.000 0.967 291 R CB -0.228 30.047 30.300 -0.041 0.000 0.861 291 R HN 0.448 nan 8.270 nan 0.000 0.442 292 I N 0.106 120.628 120.570 -0.081 0.000 2.394 292 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 292 I C 2.503 178.572 176.117 -0.080 0.000 1.136 292 I CA 1.012 62.276 61.300 -0.060 0.000 1.425 292 I CB -0.345 37.638 38.000 -0.027 0.000 1.079 292 I HN 0.166 nan 8.210 nan 0.000 0.425 293 A N 0.897 123.648 122.820 -0.115 0.000 1.898 293 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 293 A C 2.398 179.898 177.584 -0.140 0.000 1.181 293 A CA 1.213 53.180 52.037 -0.117 0.000 0.620 293 A CB -0.350 18.567 19.000 -0.138 0.000 0.819 293 A HN 0.230 nan 8.150 nan 0.000 0.442 294 M N -0.380 119.089 119.600 -0.219 0.000 2.086 294 M HA -0.107 4.372 4.480 -0.000 0.000 0.261 294 M C 2.164 178.396 176.300 -0.114 0.000 1.067 294 M CA 1.317 56.502 55.300 -0.192 0.000 1.116 294 M CB -1.207 31.230 32.600 -0.273 0.000 1.348 294 M HN 0.227 nan 8.290 nan 0.000 0.407 295 V N 0.592 120.444 119.914 -0.103 0.000 2.688 295 V HA -0.252 3.868 4.120 -0.000 0.000 0.256 295 V C 2.103 178.168 176.094 -0.049 0.000 1.084 295 V CA 1.477 63.739 62.300 -0.064 0.000 1.103 295 V CB -0.935 30.855 31.823 -0.054 0.000 0.688 295 V HN 0.565 nan 8.190 nan 0.000 0.480 296 Q N -1.222 118.547 119.800 -0.052 0.000 2.432 296 Q HA 0.016 4.356 4.340 -0.000 0.000 0.205 296 Q C 1.885 177.865 176.000 -0.033 0.000 0.945 296 Q CA 0.542 56.324 55.803 -0.035 0.000 0.924 296 Q CB 0.136 28.856 28.738 -0.030 0.000 1.016 296 Q HN 0.513 nan 8.270 nan 0.000 0.503 297 L N -0.276 120.921 121.223 -0.043 0.000 2.265 297 L HA 0.109 4.449 4.340 -0.000 0.000 0.195 297 L C 0.413 177.265 176.870 -0.031 0.000 1.083 297 L CA 1.005 55.823 54.840 -0.037 0.000 0.798 297 L CB 0.476 42.509 42.059 -0.044 0.000 0.989 297 L HN -0.020 nan 8.230 nan 0.000 0.472 298 S N -0.142 115.536 115.700 -0.037 0.000 2.718 298 S HA 0.438 4.908 4.470 -0.000 0.000 0.294 298 S C -1.897 172.685 174.600 -0.030 0.000 1.157 298 S CA -1.241 56.942 58.200 -0.029 0.000 1.121 298 S CB 0.944 64.128 63.200 -0.027 0.000 1.015 298 S HN 0.187 nan 8.310 nan 0.000 0.479 299 P HA -0.126 nan 4.420 nan 0.000 0.227 299 P C 1.030 178.318 177.300 -0.019 0.000 1.145 299 P CA 1.084 64.171 63.100 -0.021 0.000 0.769 299 P CB -0.055 31.636 31.700 -0.016 0.000 0.769 300 A N -0.364 122.444 122.820 -0.019 0.000 2.251 300 A HA 0.384 4.704 4.320 -0.000 0.000 0.209 300 A C 2.324 179.897 177.584 -0.018 0.000 1.187 300 A CA 0.698 52.725 52.037 -0.015 0.000 0.823 300 A CB -0.786 18.207 19.000 -0.012 0.000 0.846 300 A HN 0.199 nan 8.150 nan 0.000 0.486 301 A N 0.287 123.090 122.820 -0.028 0.000 1.948 301 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 301 A C 1.121 178.689 177.584 -0.027 0.000 1.177 301 A CA 0.590 52.605 52.037 -0.035 0.000 0.636 301 A CB -0.680 18.283 19.000 -0.062 0.000 0.815 301 A HN 0.495 nan 8.150 nan 0.000 0.449 302 L N 0.146 121.355 121.223 -0.023 0.000 2.559 302 L HA 0.198 4.538 4.340 -0.000 0.000 0.282 302 L C 1.311 178.179 176.870 -0.003 0.000 1.232 302 L CA -0.146 54.686 54.840 -0.013 0.000 0.885 302 L CB -0.069 41.984 42.059 -0.011 0.000 1.131 302 L HN 0.360 nan 8.230 nan 0.000 0.498 303 G N 1.409 110.212 108.800 0.005 0.000 2.616 303 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.268 303 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.268 303 G C 0.721 175.627 174.900 0.011 0.000 1.213 303 G CA -0.422 44.685 45.100 0.012 0.000 0.926 303 G HN 0.789 nan 8.290 nan 0.000 0.523 304 N N -0.582 118.127 118.700 0.015 0.000 2.106 304 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 304 N C 1.356 176.873 175.510 0.012 0.000 1.029 304 N CA 1.179 54.237 53.050 0.013 0.000 0.848 304 N CB 0.033 38.529 38.487 0.016 0.000 1.007 304 N HN 0.501 nan 8.380 nan 0.000 0.423 305 D N 0.242 120.652 120.400 0.016 0.000 2.363 305 D HA 0.006 4.646 4.640 -0.000 0.000 0.220 305 D C 1.713 178.019 176.300 0.010 0.000 0.994 305 D CA 0.108 54.116 54.000 0.013 0.000 0.890 305 D CB 0.037 40.849 40.800 0.019 0.000 0.906 305 D HN 0.196 nan 8.370 nan 0.000 0.530 306 M N -0.049 119.557 119.600 0.010 0.000 2.446 306 M HA -0.042 4.437 4.480 -0.000 0.000 0.263 306 M C 2.100 178.402 176.300 0.004 0.000 1.066 306 M CA 0.374 55.679 55.300 0.008 0.000 1.087 306 M CB -0.852 31.752 32.600 0.007 0.000 1.406 306 M HN 0.026 nan 8.290 nan 0.000 0.459 307 A N 0.731 123.553 122.820 0.003 0.000 1.997 307 A HA -0.161 4.159 4.320 -0.000 0.000 0.221 307 A C 2.452 180.036 177.584 -0.000 0.000 1.172 307 A CA 2.175 54.212 52.037 0.001 0.000 0.645 307 A CB -0.769 18.231 19.000 -0.000 0.000 0.813 307 A HN 0.511 nan 8.150 nan 0.000 0.454 308 A N 0.080 122.900 122.820 0.000 0.000 1.933 308 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 308 A C 2.033 179.616 177.584 -0.000 0.000 1.175 308 A CA 1.557 53.594 52.037 -0.000 0.000 0.628 308 A CB -0.529 18.471 19.000 -0.000 0.000 0.814 308 A HN 1.200 nan 8.150 nan 0.000 0.444 309 I N -2.849 117.721 120.570 0.001 0.000 3.956 309 I HA 0.241 4.411 4.170 -0.000 0.000 0.333 309 I C 1.475 177.591 176.117 -0.001 0.000 1.302 309 I CA 0.858 62.158 61.300 0.000 0.000 1.122 309 I CB -0.001 38.000 38.000 0.002 0.000 1.013 309 I HN 0.384 nan 8.210 nan 0.000 0.405 310 E N 1.437 121.637 120.200 -0.001 0.000 2.130 310 E HA -0.283 4.066 4.350 -0.000 0.000 0.196 310 E C 2.066 178.664 176.600 -0.004 0.000 0.998 310 E CA 1.906 58.304 56.400 -0.003 0.000 0.806 310 E CB -0.070 29.628 29.700 -0.003 0.000 0.738 310 E HN 0.626 nan 8.360 nan 0.000 0.459 311 L N 0.725 121.947 121.223 -0.003 0.000 2.056 311 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 311 L C 2.302 179.170 176.870 -0.003 0.000 1.078 311 L CA 1.647 56.486 54.840 -0.003 0.000 0.749 311 L CB -0.180 41.878 42.059 -0.002 0.000 0.901 311 L HN -0.014 nan 8.230 nan 0.000 0.433 312 R N -1.713 118.785 120.500 -0.003 0.000 2.073 312 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 312 R C 2.196 178.492 176.300 -0.006 0.000 1.120 312 R CA 1.466 57.564 56.100 -0.004 0.000 0.967 312 R CB -0.320 29.978 30.300 -0.003 0.000 0.862 312 R HN 0.262 nan 8.270 nan 0.000 0.436 313 M N 0.416 120.012 119.600 -0.006 0.000 2.080 313 M HA -0.188 4.291 4.480 -0.000 0.000 0.260 313 M C 2.051 178.344 176.300 -0.012 0.000 1.068 313 M CA 1.738 57.032 55.300 -0.009 0.000 1.109 313 M CB -0.764 31.831 32.600 -0.009 0.000 1.342 313 M HN 0.114 nan 8.290 nan 0.000 0.405 314 R N -0.470 120.025 120.500 -0.010 0.000 2.115 314 R HA -0.168 4.171 4.340 -0.000 0.000 0.230 314 R C 2.126 178.421 176.300 -0.007 0.000 1.111 314 R CA 1.263 57.357 56.100 -0.010 0.000 0.976 314 R CB -0.213 30.082 30.300 -0.008 0.000 0.870 314 R HN 0.331 nan 8.270 nan 0.000 0.445 315 E N 1.176 121.372 120.200 -0.005 0.000 2.028 315 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 315 E C 1.883 178.482 176.600 -0.002 0.000 0.988 315 E CA 1.162 57.561 56.400 -0.002 0.000 0.799 315 E CB -0.237 29.462 29.700 -0.001 0.000 0.755 315 E HN 0.176 nan 8.360 nan 0.000 0.447 316 L N 0.261 121.481 121.223 -0.006 0.000 1.990 316 L HA -0.279 4.060 4.340 -0.000 0.000 0.213 316 L C 2.595 179.463 176.870 -0.004 0.000 1.072 316 L CA 1.429 56.264 54.840 -0.008 0.000 0.755 316 L CB -0.902 41.145 42.059 -0.020 0.000 0.889 316 L HN 0.255 nan 8.230 nan 0.000 0.432 317 A N 1.193 124.007 122.820 -0.009 0.000 1.915 317 A HA -0.314 4.005 4.320 -0.000 0.000 0.220 317 A C 2.284 179.866 177.584 -0.004 0.000 1.198 317 A CA 2.800 54.831 52.037 -0.010 0.000 0.647 317 A CB -0.710 18.279 19.000 -0.017 0.000 0.825 317 A HN 0.636 nan 8.150 nan 0.000 0.456 318 R N -0.879 119.620 120.500 -0.001 0.000 2.210 318 R HA 0.024 4.364 4.340 -0.000 0.000 0.203 318 R C 1.751 178.056 176.300 0.009 0.000 1.010 318 R CA 1.687 57.788 56.100 0.002 0.000 1.008 318 R CB -0.983 29.317 30.300 0.001 0.000 0.923 318 R HN 0.489 nan 8.270 nan 0.000 0.469 319 T N -1.507 113.054 114.554 0.012 0.000 3.044 319 T HA 0.280 4.630 4.350 -0.000 0.000 0.255 319 T C 0.859 175.577 174.700 0.031 0.000 1.073 319 T CA 0.006 62.118 62.100 0.020 0.000 1.125 319 T CB -0.043 68.837 68.868 0.020 0.000 0.908 319 T HN 0.111 nan 8.240 nan 0.000 0.480 320 I N 2.856 123.444 120.570 0.031 0.000 2.321 320 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 320 I C -2.662 173.484 176.117 0.048 0.000 0.998 320 I CA -2.960 58.370 61.300 0.049 0.000 1.227 320 I CB 1.528 39.557 38.000 0.047 0.000 1.368 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.017 nan 4.420 nan 0.000 0.264 321 P C -1.800 175.525 177.300 0.043 0.000 1.193 321 P CA -0.884 62.239 63.100 0.038 0.000 0.763 321 P CB 0.125 31.846 31.700 0.036 0.000 0.810 322 P HA -0.202 nan 4.420 nan 0.000 0.218 322 P C 1.207 178.522 177.300 0.025 0.000 1.146 322 P CA 1.681 64.794 63.100 0.021 0.000 0.813 322 P CB -0.190 31.511 31.700 0.003 0.000 0.778 323 T N 0.262 114.825 114.554 0.015 0.000 2.674 323 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 323 T C 1.374 176.071 174.700 -0.005 0.000 1.039 323 T CA 2.015 64.116 62.100 0.001 0.000 1.150 323 T CB -0.872 67.992 68.868 -0.006 0.000 0.864 323 T HN 0.130 nan 8.240 nan 0.000 0.427 324 D N 0.921 121.324 120.400 0.004 0.000 2.104 324 D HA -0.033 4.607 4.640 -0.000 0.000 0.194 324 D C 2.009 178.371 176.300 0.103 0.000 0.994 324 D CA 0.796 54.780 54.000 -0.027 0.000 0.830 324 D CB -0.453 40.394 40.800 0.078 0.000 0.959 324 D HN 0.359 nan 8.370 nan 0.000 0.452 325 I N 0.638 121.333 120.570 0.208 0.000 2.423 325 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 325 I C 2.261 178.504 176.117 0.210 0.000 1.151 325 I CA 0.844 62.310 61.300 0.276 0.000 1.421 325 I CB -0.081 38.000 38.000 0.134 0.000 1.079 325 I HN 0.009 nan 8.210 nan 0.000 0.431 326 Q N 0.188 120.051 119.800 0.106 0.000 2.123 326 Q HA -0.159 4.181 4.340 -0.000 0.000 0.199 326 Q C 2.210 178.270 176.000 0.100 0.000 0.966 326 Q CA 1.244 57.104 55.803 0.095 0.000 0.845 326 Q CB -0.354 28.407 28.738 0.039 0.000 0.907 326 Q HN 0.476 nan 8.270 nan 0.000 0.439 327 L N -0.581 120.635 121.223 -0.012 0.000 1.994 327 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 327 L C 1.974 178.803 176.870 -0.068 0.000 1.071 327 L CA 1.859 56.629 54.840 -0.116 0.000 0.745 327 L CB -1.405 40.491 42.059 -0.271 0.000 0.892 327 L HN 0.031 nan 8.230 nan 0.000 0.431 328 Y N -1.167 119.159 120.300 0.042 0.000 2.165 328 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 328 Y C 2.643 178.597 175.900 0.089 0.000 1.155 328 Y CA 2.369 60.501 58.100 0.054 0.000 1.164 328 Y CB -1.244 37.248 38.460 0.054 0.000 0.978 328 Y HN 0.349 nan 8.280 nan 0.000 0.513 329 Y N 0.738 121.139 120.300 0.167 0.000 2.242 329 Y HA -0.274 4.276 4.550 -0.000 0.000 0.291 329 Y C 2.595 178.531 175.900 0.059 0.000 1.137 329 Y CA 1.891 60.053 58.100 0.104 0.000 1.181 329 Y CB -0.380 38.135 38.460 0.091 0.000 0.989 329 Y HN 0.214 nan 8.280 nan 0.000 0.527 330 Q N -0.747 119.110 119.800 0.095 0.000 2.049 330 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 330 Q C 2.039 177.994 176.000 -0.076 0.000 0.971 330 Q CA 2.272 58.067 55.803 -0.013 0.000 0.833 330 Q CB -0.161 28.588 28.738 0.020 0.000 0.896 330 Q HN 0.434 nan 8.270 nan 0.000 0.434 331 T N 1.591 116.117 114.554 -0.047 0.000 2.635 331 T HA -0.189 4.160 4.350 -0.000 0.000 0.267 331 T C 1.740 176.419 174.700 -0.035 0.000 1.040 331 T CA 1.549 63.623 62.100 -0.044 0.000 1.156 331 T CB -0.329 68.540 68.868 0.002 0.000 0.863 331 T HN 0.260 nan 8.240 nan 0.000 0.430 332 L N -0.018 121.186 121.223 -0.031 0.000 2.201 332 L HA -0.002 4.338 4.340 -0.000 0.000 0.212 332 L C 2.407 179.205 176.870 -0.120 0.000 1.105 332 L CA 0.592 55.403 54.840 -0.048 0.000 0.775 332 L CB -0.460 41.584 42.059 -0.026 0.000 0.913 332 L HN 0.206 nan 8.230 nan 0.000 0.440 333 L N -0.022 121.070 121.223 -0.217 0.000 2.049 333 L HA -0.116 4.224 4.340 -0.000 0.000 0.203 333 L C 2.347 179.152 176.870 -0.109 0.000 1.074 333 L CA 1.447 56.152 54.840 -0.226 0.000 0.749 333 L CB -0.178 41.684 42.059 -0.328 0.000 0.907 333 L HN 0.008 nan 8.230 nan 0.000 0.439 334 I N -0.102 120.413 120.570 -0.091 0.000 2.236 334 I HA -0.316 3.854 4.170 -0.000 0.000 0.249 334 I C 2.324 178.424 176.117 -0.028 0.000 1.102 334 I CA 1.549 62.817 61.300 -0.054 0.000 1.365 334 I CB -0.901 37.062 38.000 -0.062 0.000 1.051 334 I HN 0.488 nan 8.210 nan 0.000 0.420 335 G N -0.068 108.715 108.800 -0.027 0.000 2.470 335 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 335 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 335 G C 1.759 176.667 174.900 0.012 0.000 1.121 335 G CA 0.457 45.557 45.100 0.000 0.000 0.766 335 G HN 0.323 nan 8.290 nan 0.000 0.553 336 R N 0.309 120.806 120.500 -0.005 0.000 2.127 336 R HA 0.102 4.442 4.340 -0.000 0.000 0.217 336 R C 2.363 178.682 176.300 0.031 0.000 1.074 336 R CA 0.815 56.920 56.100 0.009 0.000 0.991 336 R CB -0.129 30.161 30.300 -0.018 0.000 0.895 336 R HN 0.243 nan 8.270 nan 0.000 0.450 337 K N 0.467 120.884 120.400 0.029 0.000 2.026 337 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 337 K C 1.900 178.584 176.600 0.141 0.000 1.048 337 K CA 1.906 58.232 56.287 0.065 0.000 0.929 337 K CB -0.046 32.473 32.500 0.032 0.000 0.713 337 K HN 0.336 nan 8.250 nan 0.000 0.439 338 E N 1.060 121.328 120.200 0.112 0.000 2.051 338 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 338 E C 2.008 178.721 176.600 0.188 0.000 0.991 338 E CA 0.827 57.326 56.400 0.166 0.000 0.799 338 E CB -0.320 29.427 29.700 0.078 0.000 0.748 338 E HN 0.070 nan 8.360 nan 0.000 0.449 339 L N 1.418 122.697 121.223 0.093 0.000 2.223 339 L HA -0.251 4.088 4.340 -0.000 0.000 0.230 339 L C -0.907 175.965 176.870 0.003 0.000 1.110 339 L CA 2.418 57.287 54.840 0.049 0.000 0.834 339 L CB -1.219 40.864 42.059 0.041 0.000 0.915 339 L HN 0.117 nan 8.230 nan 0.000 0.450 340 P HA -0.073 nan 4.420 nan 0.000 0.231 340 P C 0.753 177.858 177.300 -0.324 0.000 1.168 340 P CA 1.240 64.193 63.100 -0.245 0.000 0.779 340 P CB -0.051 31.398 31.700 -0.418 0.000 0.844 341 Y N -0.702 119.596 120.300 -0.003 0.000 2.497 341 Y HA 0.359 4.909 4.550 -0.000 0.000 0.265 341 Y C 1.499 177.393 175.900 -0.011 0.000 1.111 341 Y CA -0.462 57.635 58.100 -0.006 0.000 1.288 341 Y CB -0.698 37.758 38.460 -0.006 0.000 1.082 341 Y HN -0.182 nan 8.280 nan 0.000 0.536 342 A N 2.358 125.242 122.820 0.107 0.000 2.466 342 A HA 0.067 4.387 4.320 -0.000 0.000 0.238 342 A C -0.953 176.640 177.584 0.016 0.000 1.074 342 A CA -0.901 51.165 52.037 0.048 0.000 0.774 342 A CB -0.191 18.816 19.000 0.013 0.000 1.015 342 A HN 0.168 nan 8.150 nan 0.000 0.498 343 P HA -0.096 nan 4.420 nan 0.000 0.219 343 P C -0.015 177.267 177.300 -0.029 0.000 1.146 343 P CA 1.890 64.984 63.100 -0.009 0.000 0.808 343 P CB -0.037 31.656 31.700 -0.012 0.000 0.779 344 D N -2.452 117.917 120.400 -0.052 0.000 2.937 344 D HA 0.160 4.800 4.640 -0.000 0.000 0.215 344 D C 1.154 177.381 176.300 -0.121 0.000 1.274 344 D CA -0.738 53.214 54.000 -0.079 0.000 0.869 344 D CB 1.275 42.020 40.800 -0.093 0.000 1.675 344 D HN -0.387 nan 8.370 nan 0.000 0.538 345 R N 1.885 122.320 120.500 -0.107 0.000 2.096 345 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 345 R C 1.994 178.084 176.300 -0.350 0.000 1.139 345 R CA 1.452 57.485 56.100 -0.113 0.000 0.952 345 R CB -0.225 30.098 30.300 0.037 0.000 0.854 345 R HN 0.509 nan 8.270 nan 0.000 0.436 346 R N 0.499 120.566 120.500 -0.721 0.000 2.152 346 R HA -0.088 4.251 4.340 -0.000 0.000 0.232 346 R C 2.230 178.104 176.300 -0.710 0.000 1.117 346 R CA 1.310 56.589 56.100 -1.369 0.000 0.981 346 R CB -0.080 29.433 30.300 -1.312 0.000 0.870 346 R HN 0.218 nan 8.270 nan 0.000 0.451 347 M N -0.587 118.779 119.600 -0.391 0.000 2.193 347 M HA -0.010 4.470 4.480 -0.000 0.000 0.265 347 M C 2.035 178.243 176.300 -0.153 0.000 1.071 347 M CA 1.698 56.861 55.300 -0.228 0.000 1.140 347 M CB -0.181 32.330 32.600 -0.148 0.000 1.369 347 M HN 0.367 nan 8.290 nan 0.000 0.423 348 G N -0.168 108.558 108.800 -0.124 0.000 2.469 348 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.219 348 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.219 348 G C 1.258 176.132 174.900 -0.042 0.000 1.150 348 G CA 1.346 46.414 45.100 -0.053 0.000 0.763 348 G HN 0.409 nan 8.290 nan 0.000 0.561 349 V N 0.668 120.539 119.914 -0.073 0.000 2.515 349 V HA -0.143 3.977 4.120 -0.000 0.000 0.250 349 V C 2.575 178.660 176.094 -0.015 0.000 1.058 349 V CA 2.085 64.380 62.300 -0.007 0.000 1.064 349 V CB -0.494 31.370 31.823 0.068 0.000 0.675 349 V HN 0.485 nan 8.190 nan 0.000 0.461 350 E N -0.329 119.821 120.200 -0.083 0.000 2.107 350 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 350 E C 2.091 178.686 176.600 -0.009 0.000 0.982 350 E CA 1.304 57.675 56.400 -0.048 0.000 0.809 350 E CB -0.195 29.449 29.700 -0.092 0.000 0.756 350 E HN 0.475 nan 8.360 nan 0.000 0.459 351 M N 0.700 120.291 119.600 -0.015 0.000 2.200 351 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 351 M C 2.097 178.421 176.300 0.040 0.000 1.066 351 M CA 1.537 56.843 55.300 0.011 0.000 1.127 351 M CB -0.174 32.428 32.600 0.002 0.000 1.379 351 M HN -0.096 nan 8.290 nan 0.000 0.420 352 T N 0.636 115.211 114.554 0.035 0.000 2.759 352 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 352 T C 1.746 176.492 174.700 0.078 0.000 1.042 352 T CA 1.588 63.719 62.100 0.051 0.000 1.140 352 T CB -0.353 68.540 68.868 0.042 0.000 0.864 352 T HN 0.355 nan 8.240 nan 0.000 0.455 353 L N 0.067 121.336 121.223 0.076 0.000 2.095 353 L HA 0.140 4.480 4.340 -0.000 0.000 0.204 353 L C 2.300 179.234 176.870 0.108 0.000 1.080 353 L CA 0.763 55.662 54.840 0.099 0.000 0.759 353 L CB -0.341 41.770 42.059 0.086 0.000 0.914 353 L HN 0.211 nan 8.230 nan 0.000 0.439 354 L N -0.571 120.700 121.223 0.080 0.000 2.353 354 L HA -0.206 4.134 4.340 -0.000 0.000 0.220 354 L C 2.665 179.597 176.870 0.102 0.000 1.133 354 L CA 0.887 55.770 54.840 0.073 0.000 0.798 354 L CB -0.399 41.685 42.059 0.041 0.000 0.922 354 L HN 0.269 nan 8.230 nan 0.000 0.445 355 R N -0.201 120.386 120.500 0.145 0.000 2.057 355 R HA -0.039 4.301 4.340 -0.000 0.000 0.224 355 R C 2.453 178.940 176.300 0.312 0.000 1.136 355 R CA 1.085 57.339 56.100 0.256 0.000 0.968 355 R CB -0.207 30.229 30.300 0.228 0.000 0.863 355 R HN 0.288 nan 8.270 nan 0.000 0.433 356 A N 1.058 124.014 122.820 0.228 0.000 1.948 356 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 356 A C 1.926 179.680 177.584 0.283 0.000 1.177 356 A CA 1.244 53.427 52.037 0.243 0.000 0.636 356 A CB -0.432 18.732 19.000 0.274 0.000 0.815 356 A HN 0.193 nan 8.150 nan 0.000 0.449 357 L N -0.857 120.505 121.223 0.231 0.000 2.072 357 L HA -0.004 4.336 4.340 -0.000 0.000 0.205 357 L C 2.894 179.843 176.870 0.131 0.000 1.079 357 L CA 1.847 56.804 54.840 0.195 0.000 0.752 357 L CB -1.153 40.974 42.059 0.114 0.000 0.906 357 L HN 0.393 nan 8.230 nan 0.000 0.436 358 A N -2.074 120.783 122.820 0.061 0.000 2.014 358 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 358 A C 1.615 179.063 177.584 -0.228 0.000 1.163 358 A CA 0.952 52.913 52.037 -0.126 0.000 0.652 358 A CB -0.593 18.251 19.000 -0.259 0.000 0.808 358 A HN 0.364 nan 8.150 nan 0.000 0.449 359 F N -0.903 119.078 119.950 0.052 0.000 2.684 359 F HA 0.220 4.747 4.527 -0.000 0.000 0.298 359 F C 0.689 176.496 175.800 0.010 0.000 1.120 359 F CA -0.630 57.380 58.000 0.016 0.000 1.332 359 F CB -0.260 38.726 39.000 -0.023 0.000 0.986 359 F HN 0.309 nan 8.300 nan 0.000 0.524 360 H N 3.354 122.486 119.070 0.104 0.000 2.964 360 H HA 0.035 4.591 4.556 -0.000 0.000 0.328 360 H C -1.338 174.015 175.328 0.042 0.000 1.030 360 H CA -1.154 54.938 56.048 0.073 0.000 1.445 360 H CB 1.073 30.902 29.762 0.113 0.000 1.449 360 H HN -0.070 nan 8.280 nan 0.000 0.581 361 P HA -0.142 nan 4.420 nan 0.000 0.217 361 P C 0.913 178.294 177.300 0.135 0.000 1.151 361 P CA 1.077 64.168 63.100 -0.015 0.000 0.828 361 P CB 0.509 32.121 31.700 -0.147 0.000 0.788 362 R N -1.113 119.582 120.500 0.326 0.000 2.223 362 R HA 0.354 4.694 4.340 -0.000 0.000 0.198 362 R C 1.005 177.435 176.300 0.217 0.000 0.984 362 R CA 0.395 56.660 56.100 0.275 0.000 1.018 362 R CB -0.219 30.254 30.300 0.290 0.000 0.945 362 R HN 0.345 nan 8.270 nan 0.000 0.479 363 M N -0.081 119.678 119.600 0.264 0.000 2.389 363 M HA 0.334 4.814 4.480 -0.000 0.000 0.291 363 M C -2.850 173.450 176.300 0.000 0.000 1.128 363 M CA -1.456 53.862 55.300 0.030 0.000 0.942 363 M CB 3.868 36.407 32.600 -0.103 0.000 1.783 363 M HN -0.183 nan 8.290 nan 0.000 0.501 364 P HA 0.563 nan 4.420 nan 0.000 0.300 364 P C -1.606 175.673 177.300 -0.036 0.000 1.233 364 P CA -0.818 62.288 63.100 0.009 0.000 1.182 364 P CB 1.587 33.303 31.700 0.028 0.000 1.704 365 L N 1.750 122.944 121.223 -0.049 0.000 2.513 365 L HA 0.250 4.589 4.340 -0.000 0.000 0.272 365 L C -1.300 175.533 176.870 -0.062 0.000 1.187 365 L CA -0.989 53.817 54.840 -0.056 0.000 0.895 365 L CB -0.538 41.483 42.059 -0.063 0.000 1.147 365 L HN 0.300 nan 8.230 nan 0.000 0.483 366 P HA 0.456 nan 4.420 nan 0.000 0.280 366 P C -0.905 176.371 177.300 -0.039 0.000 1.272 366 P CA -0.572 62.504 63.100 -0.040 0.000 0.819 366 P CB 1.928 33.610 31.700 -0.030 0.000 1.122 367 E N -0.349 119.831 120.200 -0.033 0.000 2.401 367 E HA 0.403 4.752 4.350 -0.000 0.000 0.280 367 E C -2.113 174.474 176.600 -0.022 0.000 1.039 367 E CA -0.984 55.398 56.400 -0.029 0.000 0.814 367 E CB 1.550 31.229 29.700 -0.035 0.000 1.275 367 E HN 0.587 nan 8.360 nan 0.000 0.448 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 368 P CB 0.000 31.693 31.700 -0.012 0.000 0.726